data_17461 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Multiple Cycles of Global Unfolding of GroEL-bound Cyclophilin A Evidenced by NMR ; _BMRB_accession_number 17461 _BMRB_flat_file_name bmr17461.str _Entry_type original _Submission_date 2011-02-11 _Accession_date 2011-02-11 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nieba-Axmann Sabine E. . 2 Ottiger Marcel . . 3 Wuthrich Kurt . . 4 Pluckthun Andreas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count chemical_rates 4 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-06-06 original author . stop_ _Original_release_date 2012-06-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Multiple Cycles of Global Unfolding of GroEL-bound Cyclophilin A Evidenced by NMR' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Nieba-Axmann Sabine E. . 2 Ottiger Marcel . . 3 Wuthrich Kurt . . 4 Pluckthun Andreas . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 271 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 803 _Page_last 818 _Year 1997 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name GroEL _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label GroEL $GroEL CypA $CypA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_GroEL _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common GroEL _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 548 _Mol_residue_sequence ; MAAKDVKFGNDARVKMLRGV NVLADAVKVTLGPKGRNVVL DKSFGAPTITKDGVSVAREI ELEDKFENMGAQMVKEVASK ANDAAGDGTTTATVLAQAII TEGLKAVAAGMNPMDLKRGI DKAVTVAVEELKALSVPCSD SKAIAQVGTISANSDETVGK LIAEAMDKVGKEGVITVEDG TGLQDELDVVEGMQFDRGYL SPYFINKPETGAVELESPFI LLADKKISNIREMLPVLEAV AKAGKPLLIIAEDVEGEALA TLVVNTMRGIVKVAAVKAPG FGDRRKAMLQDIATLTGGTV ISEEIGMELEKATLEDLGQA KRVVINKDTTTIIDGVGEEA AIQGRVAQIRQQIEEATSDY DREKLQERVAKLAGGVAVIK VGAATEVEMKEKKARVEDAL HATRAAVEEGVVAGGGVALI RVASKLADLRGQNEDQNVGI KVALRAMEAPLRQIVLNCGE EPSVVANTVKGGDGNYGYNA ATEEYGNMIDMGILDPTKVT RSALQYAASVAGLMITTECM VTDLPKNDAADLGAAGGMGG MGGMGGMM ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ALA 4 LYS 5 ASP 6 VAL 7 LYS 8 PHE 9 GLY 10 ASN 11 ASP 12 ALA 13 ARG 14 VAL 15 LYS 16 MET 17 LEU 18 ARG 19 GLY 20 VAL 21 ASN 22 VAL 23 LEU 24 ALA 25 ASP 26 ALA 27 VAL 28 LYS 29 VAL 30 THR 31 LEU 32 GLY 33 PRO 34 LYS 35 GLY 36 ARG 37 ASN 38 VAL 39 VAL 40 LEU 41 ASP 42 LYS 43 SER 44 PHE 45 GLY 46 ALA 47 PRO 48 THR 49 ILE 50 THR 51 LYS 52 ASP 53 GLY 54 VAL 55 SER 56 VAL 57 ALA 58 ARG 59 GLU 60 ILE 61 GLU 62 LEU 63 GLU 64 ASP 65 LYS 66 PHE 67 GLU 68 ASN 69 MET 70 GLY 71 ALA 72 GLN 73 MET 74 VAL 75 LYS 76 GLU 77 VAL 78 ALA 79 SER 80 LYS 81 ALA 82 ASN 83 ASP 84 ALA 85 ALA 86 GLY 87 ASP 88 GLY 89 THR 90 THR 91 THR 92 ALA 93 THR 94 VAL 95 LEU 96 ALA 97 GLN 98 ALA 99 ILE 100 ILE 101 THR 102 GLU 103 GLY 104 LEU 105 LYS 106 ALA 107 VAL 108 ALA 109 ALA 110 GLY 111 MET 112 ASN 113 PRO 114 MET 115 ASP 116 LEU 117 LYS 118 ARG 119 GLY 120 ILE 121 ASP 122 LYS 123 ALA 124 VAL 125 THR 126 VAL 127 ALA 128 VAL 129 GLU 130 GLU 131 LEU 132 LYS 133 ALA 134 LEU 135 SER 136 VAL 137 PRO 138 CYS 139 SER 140 ASP 141 SER 142 LYS 143 ALA 144 ILE 145 ALA 146 GLN 147 VAL 148 GLY 149 THR 150 ILE 151 SER 152 ALA 153 ASN 154 SER 155 ASP 156 GLU 157 THR 158 VAL 159 GLY 160 LYS 161 LEU 162 ILE 163 ALA 164 GLU 165 ALA 166 MET 167 ASP 168 LYS 169 VAL 170 GLY 171 LYS 172 GLU 173 GLY 174 VAL 175 ILE 176 THR 177 VAL 178 GLU 179 ASP 180 GLY 181 THR 182 GLY 183 LEU 184 GLN 185 ASP 186 GLU 187 LEU 188 ASP 189 VAL 190 VAL 191 GLU 192 GLY 193 MET 194 GLN 195 PHE 196 ASP 197 ARG 198 GLY 199 TYR 200 LEU 201 SER 202 PRO 203 TYR 204 PHE 205 ILE 206 ASN 207 LYS 208 PRO 209 GLU 210 THR 211 GLY 212 ALA 213 VAL 214 GLU 215 LEU 216 GLU 217 SER 218 PRO 219 PHE 220 ILE 221 LEU 222 LEU 223 ALA 224 ASP 225 LYS 226 LYS 227 ILE 228 SER 229 ASN 230 ILE 231 ARG 232 GLU 233 MET 234 LEU 235 PRO 236 VAL 237 LEU 238 GLU 239 ALA 240 VAL 241 ALA 242 LYS 243 ALA 244 GLY 245 LYS 246 PRO 247 LEU 248 LEU 249 ILE 250 ILE 251 ALA 252 GLU 253 ASP 254 VAL 255 GLU 256 GLY 257 GLU 258 ALA 259 LEU 260 ALA 261 THR 262 LEU 263 VAL 264 VAL 265 ASN 266 THR 267 MET 268 ARG 269 GLY 270 ILE 271 VAL 272 LYS 273 VAL 274 ALA 275 ALA 276 VAL 277 LYS 278 ALA 279 PRO 280 GLY 281 PHE 282 GLY 283 ASP 284 ARG 285 ARG 286 LYS 287 ALA 288 MET 289 LEU 290 GLN 291 ASP 292 ILE 293 ALA 294 THR 295 LEU 296 THR 297 GLY 298 GLY 299 THR 300 VAL 301 ILE 302 SER 303 GLU 304 GLU 305 ILE 306 GLY 307 MET 308 GLU 309 LEU 310 GLU 311 LYS 312 ALA 313 THR 314 LEU 315 GLU 316 ASP 317 LEU 318 GLY 319 GLN 320 ALA 321 LYS 322 ARG 323 VAL 324 VAL 325 ILE 326 ASN 327 LYS 328 ASP 329 THR 330 THR 331 THR 332 ILE 333 ILE 334 ASP 335 GLY 336 VAL 337 GLY 338 GLU 339 GLU 340 ALA 341 ALA 342 ILE 343 GLN 344 GLY 345 ARG 346 VAL 347 ALA 348 GLN 349 ILE 350 ARG 351 GLN 352 GLN 353 ILE 354 GLU 355 GLU 356 ALA 357 THR 358 SER 359 ASP 360 TYR 361 ASP 362 ARG 363 GLU 364 LYS 365 LEU 366 GLN 367 GLU 368 ARG 369 VAL 370 ALA 371 LYS 372 LEU 373 ALA 374 GLY 375 GLY 376 VAL 377 ALA 378 VAL 379 ILE 380 LYS 381 VAL 382 GLY 383 ALA 384 ALA 385 THR 386 GLU 387 VAL 388 GLU 389 MET 390 LYS 391 GLU 392 LYS 393 LYS 394 ALA 395 ARG 396 VAL 397 GLU 398 ASP 399 ALA 400 LEU 401 HIS 402 ALA 403 THR 404 ARG 405 ALA 406 ALA 407 VAL 408 GLU 409 GLU 410 GLY 411 VAL 412 VAL 413 ALA 414 GLY 415 GLY 416 GLY 417 VAL 418 ALA 419 LEU 420 ILE 421 ARG 422 VAL 423 ALA 424 SER 425 LYS 426 LEU 427 ALA 428 ASP 429 LEU 430 ARG 431 GLY 432 GLN 433 ASN 434 GLU 435 ASP 436 GLN 437 ASN 438 VAL 439 GLY 440 ILE 441 LYS 442 VAL 443 ALA 444 LEU 445 ARG 446 ALA 447 MET 448 GLU 449 ALA 450 PRO 451 LEU 452 ARG 453 GLN 454 ILE 455 VAL 456 LEU 457 ASN 458 CYS 459 GLY 460 GLU 461 GLU 462 PRO 463 SER 464 VAL 465 VAL 466 ALA 467 ASN 468 THR 469 VAL 470 LYS 471 GLY 472 GLY 473 ASP 474 GLY 475 ASN 476 TYR 477 GLY 478 TYR 479 ASN 480 ALA 481 ALA 482 THR 483 GLU 484 GLU 485 TYR 486 GLY 487 ASN 488 MET 489 ILE 490 ASP 491 MET 492 GLY 493 ILE 494 LEU 495 ASP 496 PRO 497 THR 498 LYS 499 VAL 500 THR 501 ARG 502 SER 503 ALA 504 LEU 505 GLN 506 TYR 507 ALA 508 ALA 509 SER 510 VAL 511 ALA 512 GLY 513 LEU 514 MET 515 ILE 516 THR 517 THR 518 GLU 519 CYS 520 MET 521 VAL 522 THR 523 ASP 524 LEU 525 PRO 526 LYS 527 ASN 528 ASP 529 ALA 530 ALA 531 ASP 532 LEU 533 GLY 534 ALA 535 ALA 536 GLY 537 GLY 538 MET 539 GLY 540 GLY 541 MET 542 GLY 543 GLY 544 MET 545 GLY 546 GLY 547 MET 548 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-18 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1AON "Crystal Structure Of The Asymmetric Chaperonin Complex GroelGROES(ADP)7" 99.82 547 99.82 99.82 0.00e+00 PDB 1GR5 "Solution Structure Of Apo Groel By Cryo-electron Microscopy" 99.82 547 99.82 99.82 0.00e+00 PDB 1GRL "The Crystal Structure Of The Bacterial Chaperonin Groel At 2.8 Angstroms" 100.00 548 99.64 99.64 0.00e+00 PDB 1GRU "Solution Structure Of Groes-Adp7-Groel-Atp7 Complex By Cryo-Em" 99.82 547 99.82 99.82 0.00e+00 PDB 1J4Z "Structural And Mechanistic Basis For Allostery In The Bacterial Chaperonin Groel; See Remark 400" 99.82 547 99.45 99.45 0.00e+00 PDB 1KP8 "Structural Basis For Groel-assisted Protein Folding From The Crystal Structure Of (groel-kmgatp)14 At 2.0 A Resolution" 99.82 547 99.63 99.63 0.00e+00 PDB 1KPO "Structural And Mechanistic Basis For Allostery In The Bacterial Chaperonin Groel; See Remark 400" 99.82 547 99.45 99.45 0.00e+00 PDB 1MNF "Domain Motions In Groel Upon Binding Of An Oligopeptide" 99.82 547 99.82 99.82 0.00e+00 PDB 1OEL "Conformational Variability In The Refined Structure Of The Chaperonin Groel At 2.8 Angstrom Resolution" 99.82 547 99.45 99.63 0.00e+00 PDB 1PCQ "Crystal Structure Of Groel-Groes" 95.62 524 99.81 99.81 0.00e+00 PDB 1PF9 Groel-Groes-Adp 95.62 524 99.81 99.81 0.00e+00 PDB 1SS8 Groel 95.62 524 99.81 99.81 0.00e+00 PDB 1SVT "Crystal Structure Of Groel14-groes7-(adp-alfx)7" 95.62 524 99.81 99.81 0.00e+00 PDB 1SX3 Groel14-(atpgammas)14 95.80 525 99.81 99.81 0.00e+00 PDB 1SX4 Groel-groes-adp7 95.62 524 99.81 99.81 0.00e+00 PDB 1XCK "Crystal Structure Of Apo Groel" 99.82 547 99.82 99.82 0.00e+00 PDB 2C7C "Fitted Coordinates For Groel-Atp7-Groes Cryo-Em Complex (Emd-1180)" 99.82 547 99.82 99.82 0.00e+00 PDB 2C7D "Fitted Coordinates For Groel-adp7-groes Cryo-em Complex (emd-1181)" 99.82 547 99.82 99.82 0.00e+00 PDB 2C7E "Revised Atomic Structure Fitting Into A Groel(D398a)-Atp7 Cryo-Em Map (Emd 1047)" 99.82 547 99.82 99.82 0.00e+00 PDB 2CGT "Groel-adp-gp31 Complex" 99.82 547 99.82 99.82 0.00e+00 PDB 2EU1 "Crystal Structure Of The Chaperonin Groel-E461k" 100.00 548 99.64 99.82 0.00e+00 PDB 2NWC "A 3.02 Angstrom Crystal Structure Of Wild-Type Apo Groel In A Monoclinic Space Group" 99.82 547 99.82 99.82 0.00e+00 PDB 2YEY "Crystal Structure Of The Allosteric-defective Chaperonin Groel E434k Mutant" 95.62 524 99.62 99.81 0.00e+00 PDB 2YNJ "Groel At Sub-Nanometer Resolution By Constrained Single Particle Tomography" 95.62 524 99.81 99.81 0.00e+00 PDB 3C9V "C7 Symmetrized Structure Of Unliganded Groel At 4.7 Angstrom Resolution From Cryoem" 95.99 526 99.81 99.81 0.00e+00 PDB 3CAU "D7 Symmetrized Structure Of Unliganded Groel At 4.2 Angstrom Resolution By Cryoem" 95.99 526 99.43 99.62 0.00e+00 PDB 3E76 "Crystal Structure Of Wild-Type Groel With Bound Thallium Ions" 99.82 547 99.82 99.82 0.00e+00 PDB 3WVL "Crystal Structure Of The Football-shaped Groel-groes Complex (groel: Groes2:atp14) From Escherichia Coli" 100.00 548 99.45 99.45 0.00e+00 PDB 3ZPZ "Visualizing Groel-es In The Act Of Encapsulating A Non-native Substrate Protein" 95.99 526 99.81 99.81 0.00e+00 PDB 3ZQ0 "Visualizing Groel-es In The Act Of Encapsulating A Non-native Substrate Protein" 95.62 524 99.81 99.81 0.00e+00 PDB 3ZQ1 "Visualizing Groel-es In The Act Of Encapsulating A Non-native Substrate Protein" 95.99 526 99.81 99.81 0.00e+00 PDB 4AAQ "Atp-Triggered Molecular Mechanics Of The Chaperonin Groel" 100.00 548 99.64 99.64 0.00e+00 PDB 4AAR "Atp-Triggered Molecular Mechanics Of The Chaperonin Groel" 100.00 548 99.64 99.64 0.00e+00 PDB 4AAS "Atp-triggered Molecular Mechanics Of The Chaperonin Groel" 100.00 548 99.64 99.64 0.00e+00 PDB 4AAU "Atp-Triggered Molecular Mechanics Of The Chaperonin Groel" 100.00 548 99.64 99.64 0.00e+00 PDB 4AB2 "Atp-Triggered Molecular Mechanics Of The Chaperonin Groel" 100.00 548 99.64 99.64 0.00e+00 PDB 4AB3 "Atp-triggered Molecular Mechanics Of The Chaperonin Groel" 100.00 548 99.64 99.64 0.00e+00 PDB 4HEL "Crystal Structure Analysis Of Apo-groel Structure" 95.80 525 99.81 99.81 0.00e+00 PDB 4KI8 "Crystal Structure Of A Groel-adp Complex In The Relaxed Allosteric State" 100.00 548 99.45 99.45 0.00e+00 PDB 4PKN "Crystal Structure Of The Football-shaped Groel-groes2-(adpbefx)14 Complex Containing Substrate Rubisco" 100.00 548 99.82 99.82 0.00e+00 PDB 4PKO "Crystal Structure Of The Football-shaped Groel-groes2-(adpbefx)14 Complex" 100.00 548 99.82 99.82 0.00e+00 PDB 4WGL "Crystal Structure Of A Groel D83a/r197a Double Mutant" 100.00 548 99.45 99.45 0.00e+00 PDB 4WSC "Crystal Structure Of A Groelk105a Mutant" 100.00 548 99.64 99.64 0.00e+00 DBJ BAA25209 "similar to GroEL protein [Enterobacter intermedius]" 98.54 539 97.22 98.52 0.00e+00 DBJ BAA25211 "unnamed protein product [Pluralibacter gergoviae]" 98.54 540 97.04 98.15 0.00e+00 DBJ BAA25229 "unnamed protein product [Raoultella planticola]" 98.54 540 97.41 98.70 0.00e+00 DBJ BAA94286 "groEL [Salmonella enterica subsp. enterica serovar Typhimurium]" 100.00 548 98.72 99.45 0.00e+00 DBJ BAB38547 "chaperonin GroEL [Escherichia coli O157:H7 str. Sakai]" 100.00 548 99.82 99.82 0.00e+00 EMBL CAA30698 "unnamed protein product [Escherichia coli]" 100.00 548 99.45 99.64 0.00e+00 EMBL CAC16675 "GroEL-like protein [Serratia marcescens]" 60.04 329 96.96 98.48 0.00e+00 EMBL CAC18572 "GroEL-like protein [Serratia marcescens]" 60.04 329 97.26 98.78 0.00e+00 EMBL CAC18574 "GroEL-like protein [Serratia marcescens]" 60.04 329 97.26 98.78 0.00e+00 EMBL CAC18576 "GroEL-like protein [Serratia marcescens]" 60.04 329 96.96 98.78 0.00e+00 GB AAA85277 "GroEL [Salmonella enterica subsp. enterica serovar Typhi str. Ty2]" 100.00 548 98.72 99.45 0.00e+00 GB AAA97042 "GroEL protein [Escherichia coli str. K-12 substr. MG1655]" 100.00 548 99.82 99.82 0.00e+00 GB AAC77103 "Cpn60 chaperonin GroEL, large subunit of GroESL [Escherichia coli str. K-12 substr. MG1655]" 100.00 548 99.82 99.82 0.00e+00 GB AAG59342 "GroEL, chaperone Hsp60, peptide-dependent ATPase, heat shock protein [Escherichia coli O157:H7 str. EDL933]" 100.00 548 99.64 99.64 0.00e+00 GB AAL09389 "GroEL-like protein [Enterobacter aerogenes]" 99.27 545 97.79 98.71 0.00e+00 PIR AE1045 "GroEL protein [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" 100.00 548 98.72 99.45 0.00e+00 PIR B86110 "hypothetical protein mopA [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" 100.00 548 99.64 99.64 0.00e+00 PRF 1407243B "groEL gene" 100.00 548 99.45 99.64 0.00e+00 REF NP_313151 "molecular chaperone GroEL [Escherichia coli O157:H7 str. Sakai]" 100.00 548 99.82 99.82 0.00e+00 REF NP_418567 "Cpn60 chaperonin GroEL, large subunit of GroESL [Escherichia coli str. K-12 substr. MG1655]" 100.00 548 99.82 99.82 0.00e+00 REF NP_458769 "GroEL protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" 100.00 548 98.72 99.45 0.00e+00 REF NP_463194 "chaperonin GroEL [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" 100.00 548 98.72 99.45 0.00e+00 REF NP_710008 "molecular chaperone GroEL [Shigella flexneri 2a str. 301]" 100.00 548 99.82 99.82 0.00e+00 SP A1AJ51 "RecName: Full=60 kDa chaperonin 1; AltName: Full=GroEL protein 1; AltName: Full=Protein Cpn60 1" 100.00 548 99.82 99.82 0.00e+00 SP A7ZV12 "RecName: Full=60 kDa chaperonin; AltName: Full=GroEL protein; AltName: Full=Protein Cpn60" 100.00 548 99.82 99.82 0.00e+00 SP A8A7N9 "RecName: Full=60 kDa chaperonin; AltName: Full=GroEL protein; AltName: Full=Protein Cpn60" 100.00 548 99.82 99.82 0.00e+00 SP A8AMQ6 "RecName: Full=60 kDa chaperonin; AltName: Full=GroEL protein; AltName: Full=Protein Cpn60" 100.00 548 97.45 98.72 0.00e+00 SP A9MFR9 "RecName: Full=60 kDa chaperonin; AltName: Full=GroEL protein; AltName: Full=Protein Cpn60" 100.00 548 98.54 99.27 0.00e+00 stop_ save_ save_CypA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CypA _Molecular_mass . _Mol_thiol_state 'not reported' _Details . _Residue_count 165 _Mol_residue_sequence ; MVNPTVFFDIAVDGEPLGRV SFELFADKVPKTAENFRALS TGEKGFGYKGSCFHRIIPGF MCQGGDFTRHNGTGGKSIYG EKFEDENFILKHTGPGILSM ANAGPNTNGSQFFICTAKTE WLDGKHVVFGKVKEGMNIVE AMERFGSRNGKTSKKITIAD CGQLE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 VAL 3 ASN 4 PRO 5 THR 6 VAL 7 PHE 8 PHE 9 ASP 10 ILE 11 ALA 12 VAL 13 ASP 14 GLY 15 GLU 16 PRO 17 LEU 18 GLY 19 ARG 20 VAL 21 SER 22 PHE 23 GLU 24 LEU 25 PHE 26 ALA 27 ASP 28 LYS 29 VAL 30 PRO 31 LYS 32 THR 33 ALA 34 GLU 35 ASN 36 PHE 37 ARG 38 ALA 39 LEU 40 SER 41 THR 42 GLY 43 GLU 44 LYS 45 GLY 46 PHE 47 GLY 48 TYR 49 LYS 50 GLY 51 SER 52 CYS 53 PHE 54 HIS 55 ARG 56 ILE 57 ILE 58 PRO 59 GLY 60 PHE 61 MET 62 CYS 63 GLN 64 GLY 65 GLY 66 ASP 67 PHE 68 THR 69 ARG 70 HIS 71 ASN 72 GLY 73 THR 74 GLY 75 GLY 76 LYS 77 SER 78 ILE 79 TYR 80 GLY 81 GLU 82 LYS 83 PHE 84 GLU 85 ASP 86 GLU 87 ASN 88 PHE 89 ILE 90 LEU 91 LYS 92 HIS 93 THR 94 GLY 95 PRO 96 GLY 97 ILE 98 LEU 99 SER 100 MET 101 ALA 102 ASN 103 ALA 104 GLY 105 PRO 106 ASN 107 THR 108 ASN 109 GLY 110 SER 111 GLN 112 PHE 113 PHE 114 ILE 115 CYS 116 THR 117 ALA 118 LYS 119 THR 120 GLU 121 TRP 122 LEU 123 ASP 124 GLY 125 LYS 126 HIS 127 VAL 128 VAL 129 PHE 130 GLY 131 LYS 132 VAL 133 LYS 134 GLU 135 GLY 136 MET 137 ASN 138 ILE 139 VAL 140 GLU 141 ALA 142 MET 143 GLU 144 ARG 145 PHE 146 GLY 147 SER 148 ARG 149 ASN 150 GLY 151 LYS 152 THR 153 SER 154 LYS 155 LYS 156 ILE 157 THR 158 ILE 159 ALA 160 ASP 161 CYS 162 GLY 163 GLN 164 LEU 165 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 17218 CypA 99.39 164 100.00 100.00 1.83e-115 BMRB 2208 cyclophilin 100.00 165 100.00 100.00 2.43e-116 BMRB 25337 CypA 100.00 165 100.00 100.00 2.43e-116 BMRB 531 "peptidylprolyl isomerase" 98.79 163 98.77 100.00 6.81e-114 BMRB 532 "peptidylprolyl isomerase" 98.79 163 98.77 100.00 6.81e-114 PDB 1AK4 "Human Cyclophilin A Bound To The Amino-Terminal Domain Of Hiv-1 Capsid" 100.00 165 100.00 100.00 2.43e-116 PDB 1AWQ "Cypa Complexed With Hagpia (Pseudo-Symmetric Monomer)" 99.39 164 100.00 100.00 1.83e-115 PDB 1AWR "Cypa Complexed With Hagpia" 99.39 164 100.00 100.00 1.83e-115 PDB 1AWS "Secypa Complexed With Hagpia (Pseudo-Symmetric Monomer)" 99.39 164 97.56 97.56 2.78e-111 PDB 1AWT "Secypa Complexed With Hagpia" 99.39 164 97.56 97.56 2.78e-111 PDB 1AWU "Cypa Complexed With Hvgpia (Pseudo-Symmetric Monomer)" 99.39 164 100.00 100.00 1.83e-115 PDB 1AWV "Cypa Complexed With Hvgpia" 99.39 164 100.00 100.00 1.83e-115 PDB 1BCK "Human Cyclophilin A Complexed With 2-Thr Cyclosporin" 99.39 165 100.00 100.00 1.90e-115 PDB 1CWA "X-Ray Structure Of A Monomeric Cyclophilin A-Cyclosporin A Crystal Complex At 2.1 Angstroms Resolution" 100.00 165 100.00 100.00 2.43e-116 PDB 1CWB "The X-Ray Structure Of (Mebm2t)1-Cyclosporin Complexed With Cyclophilin A Provides An Explanation For Its Anomalously High Immu" 100.00 165 100.00 100.00 2.43e-116 PDB 1CWC "Improved Binding Affinity For Cyclophilin A By A Cyclosporin Derivative Singly Modified At Its Effector Domain" 100.00 165 100.00 100.00 2.43e-116 PDB 1CWF "Human Cyclophilin A Complexed With 2-Val Cyclosporin" 100.00 165 100.00 100.00 2.43e-116 PDB 1CWH "Human Cyclophilin A Complexed With 3-D-Ser Cyclosporin" 100.00 165 100.00 100.00 2.43e-116 PDB 1CWI "Human Cyclophilin A Complexed With 2-Val 3-(N-Methyl)-D-Alanine Cyclosporin" 100.00 165 100.00 100.00 2.43e-116 PDB 1CWJ "Human Cyclophilin A Complexed With 2-Val 3-S-Methyl-Sarcosine Cyclosporin" 100.00 165 100.00 100.00 2.43e-116 PDB 1CWK "Human Cyclophilin A Complexed With 1-(6,7-Dihydro)mebmt 2-Val 3-D-(2- S-Methyl)sarcosine Cyclosporin" 100.00 165 100.00 100.00 2.43e-116 PDB 1CWL "Human Cyclophilin A Complexed With 4 4-Hydroxy-Meleu Cyclosporin" 100.00 165 100.00 100.00 2.43e-116 PDB 1CWM "Human Cyclophilin A Complexed With 4 Meile Cyclosporin" 100.00 165 100.00 100.00 2.43e-116 PDB 1CWO "Human Cyclophilin A Complexed With Thr2, Leu5, D-Hiv8, Leu10 Cyclosporin" 99.39 165 100.00 100.00 1.90e-115 PDB 1FGL "Cyclophilin A Complexed With A Fragment Of Hiv-1 Gag Protein" 100.00 165 100.00 100.00 2.43e-116 PDB 1M63 "Crystal Structure Of Calcineurin-Cyclophilin-Cyclosporin Shows Common But Distinct Recognition Of Immunophilin-Drug Complexes" 100.00 165 100.00 100.00 2.43e-116 PDB 1M9C "X-Ray Crystal Structure Of Cyclophilin AHIV-1 Ca N- Terminal Domain (1-146) M-Type Complex." 100.00 165 100.00 100.00 2.43e-116 PDB 1M9D "X-Ray Crystal Structure Of Cyclophilin AHIV-1 Ca N- Terminal Domain (1-146) O-Type Chimera Complex." 100.00 165 100.00 100.00 2.43e-116 PDB 1M9E "X-Ray Crystal Structure Of Cyclophilin AHIV-1 Ca N- Terminal Domain (1-146) M-Type H87a Complex" 99.39 164 100.00 100.00 1.14e-115 PDB 1M9F "X-Ray Crystal Structure Of Cyclophilin AHIV-1 Ca N- Terminal Domain (1-146) M-Type H87a,A88m Complex." 100.00 165 100.00 100.00 2.43e-116 PDB 1M9X "X-Ray Crystal Structure Of Cyclophilin AHIV-1 Ca N- Terminal Domain (1-146) M-Type H87a,A88m,G89a Complex." 100.00 165 100.00 100.00 2.43e-116 PDB 1M9Y "X-Ray Crystal Structure Of Cyclophilin AHIV-1 Ca N- Terminal Domain (1-146) M-Type H87a,G89a Complex." 100.00 165 100.00 100.00 2.43e-116 PDB 1MF8 "Crystal Structure Of Human Calcineurin Complexed With Cyclosporin A And Human Cyclophilin" 100.00 165 100.00 100.00 2.43e-116 PDB 1MIK "The Role Of Water Molecules In The Structure-Based Design Of (5- Hydroxynorvaline)-2-Cyclosporin: Synthesis, Biological Activit" 100.00 165 100.00 100.00 2.43e-116 PDB 1NMK "The Sanglifehrin-Cyclophilin Interaction: Degradation Work, Synthetic Macrocyclic Analogues, X-Ray Crystal Structure And Bindin" 100.00 165 100.00 100.00 2.43e-116 PDB 1OCA "Human Cyclophilin A, Unligated, Nmr, 20 Structures" 100.00 165 100.00 100.00 2.43e-116 PDB 1RMH "Recombinant Cyclophilin A From Human T Cell" 99.39 164 100.00 100.00 1.83e-115 PDB 1VBS "Structure Of Cyclophilin Complexed With (D)ala Containing Tetrapeptide" 100.00 165 100.00 100.00 2.43e-116 PDB 1VBT "Structure Of Cyclophilin Complexed With Sulfur-Substituted Tetrapeptide Aapf" 100.00 165 100.00 100.00 2.43e-116 PDB 1W8L "Enzymatic And Structural Characterization Of Non Peptide Ligand Cyclophilin Complexes" 100.00 165 100.00 100.00 2.43e-116 PDB 1W8M "Enzymatic And Structural Characterisation Of Non Peptide Ligand Cyclophilin Complexes" 100.00 165 100.00 100.00 2.43e-116 PDB 1W8V "Enzymatic And Structural Characterization Of Non Peptide Ligand Cyclophilin Complexes" 100.00 165 100.00 100.00 2.43e-116 PDB 1YND "Structure Of Human Cyclophilin A In Complex With The Novel Immunosuppressant Sanglifehrin A At 1.6a Resolution" 100.00 165 100.00 100.00 2.43e-116 PDB 1ZKF "Cyrstal Structure Of Human Cyclophilin-A In Complex With Suc-Agpf-Pna" 100.00 165 100.00 100.00 2.43e-116 PDB 2ALF "Crystal Structure Of Human Cypa Mutant K131a" 99.39 164 98.78 99.39 3.78e-114 PDB 2CPL "Similarities And Differences Between Human Cyclophilin A And Other Beta-Barrel Structures. Structural Refinement At 1.63 Angstr" 100.00 165 100.00 100.00 2.43e-116 PDB 2CYH "Cyclophilin A Complexed With Dipeptide Ala-Pro" 99.39 164 100.00 100.00 1.83e-115 PDB 2RMA "Crystal Structures Of Cyclophilin A Complexed With Cyclosporin A And N-Methyl-4-[(E)-2-Butenyl]-4,4-Dimethylthreonine Cyclospor" 100.00 165 100.00 100.00 2.43e-116 PDB 2RMB "Crystal Structures Of Cyclophilin A Complexed With Cyclosporin A And N-Methyl-4-[(E)-2-Butenyl]-4,4-Dimethylthreonine Cyclospor" 100.00 165 100.00 100.00 2.43e-116 PDB 2WLW "Structure Of The N-Terminal Capsid Domain Of Hiv-2" 100.00 165 98.79 99.39 9.87e-115 PDB 2X25 "Free Acetyl-Cypa Orthorhombic Form" 99.39 169 98.78 99.39 6.80e-114 PDB 2X2A "Free Acetyl-Cypa Trigonal Form" 100.00 165 98.79 99.39 5.78e-115 PDB 2X2C "Acetyl-Cypa:cyclosporine Complex" 100.00 165 99.39 99.39 1.31e-115 PDB 2X2D "Acetyl-Cypa:hiv-1 N-Term Capsid Domain Complex" 100.00 165 99.39 99.39 1.31e-115 PDB 2X83 "Evolutionary Basis Of Hiv Restriction By The Antiretroviral Trimcyp" 98.79 163 98.77 99.39 3.59e-113 PDB 2XGY "Complex Of Rabbit Endogenous Lentivirus (Relik)capsid With Cyclophilin A" 100.00 173 100.00 100.00 5.70e-116 PDB 3CYH "Cyclophilin A Complexed With Dipeptide Ser-Pro" 99.39 164 100.00 100.00 1.83e-115 PDB 3CYS "Determination Of The Nmr Solution Structure Of The Cyclophilin A- Cyclosporin A Complex" 100.00 165 100.00 100.00 2.43e-116 PDB 3K0M "Cryogenic Structure Of Cypa" 100.00 165 100.00 100.00 2.43e-116 PDB 3K0N "Room Temperature Structure Of Cypa" 100.00 165 100.00 100.00 2.43e-116 PDB 3K0O "Room Temperature Structure Of Cypa Mutant Ser99thr" 100.00 165 99.39 100.00 7.16e-116 PDB 3K0P "Cryogenic Structure Of Cypa Mutant Ser99thr" 100.00 165 99.39 100.00 7.16e-116 PDB 3K0Q "Cryogenic Structure Of Cypa Mutant Ser99thr (2)" 100.00 165 99.39 100.00 7.16e-116 PDB 3K0R "Cryogenic Structure Of Cypa Mutant Arg55lys" 100.00 165 99.39 100.00 8.72e-116 PDB 3ODI "Crystal Structure Of Cyclophilin A In Complex With Voclosporin E- Isa247" 100.00 165 100.00 100.00 2.43e-116 PDB 3ODL "Crystal Structure Of Cyclophilin A In Complex With Voclosporin Z- Isa247" 100.00 165 100.00 100.00 2.43e-116 PDB 3RDD "Human Cyclophilin A Complexed With An Inhibitor" 100.00 184 100.00 100.00 2.73e-116 PDB 4CYH "Cyclophilin A Complexed With Dipeptide His-Pro" 99.39 164 100.00 100.00 1.83e-115 PDB 4DGA "Trimcyp Cyclophilin Domain From Macaca Mulatta: Hiv-1 Ca(O-Loop) Complex" 100.00 165 98.79 99.39 9.87e-115 PDB 4DGB "Trimcyp Cyclophilin Domain From Macaca Mulatta: Hiv-2 Ca Cyclophilin- Binding Loop Complex" 100.00 165 98.79 99.39 9.87e-115 PDB 4DGC "Trimcyp Cyclophilin Domain From Macaca Mulatta: Cyclosporin A Complex" 100.00 165 98.79 99.39 9.87e-115 PDB 4DGD "Trimcyp Cyclophilin Domain From Macaca Mulatta: H70c Mutant" 100.00 165 98.18 98.79 5.28e-113 PDB 4DGE "Trimcyp Cyclophilin Domain From Macaca Mulatta: H70c Mutant, Hiv-1 Ca(O-Loop) Complex" 100.00 165 98.18 98.79 5.28e-113 PDB 4IPZ "Smbz Bound To Cyclophilin A" 100.00 165 100.00 100.00 2.43e-116 PDB 5CYH "Cyclophilin A Complexed With Dipeptide Gly-Pro" 99.39 164 100.00 100.00 1.83e-115 DBJ BAE01146 "unnamed protein product [Macaca fascicularis]" 63.64 105 99.05 100.00 1.03e-68 DBJ BAE30323 "unnamed protein product [Mus musculus]" 99.39 164 96.95 97.56 6.16e-112 DBJ BAE87660 "unnamed protein product [Macaca fascicularis]" 100.00 165 100.00 100.00 2.43e-116 DBJ BAF82774 "unnamed protein product [Homo sapiens]" 100.00 165 100.00 100.00 2.43e-116 DBJ BAF83540 "unnamed protein product [Homo sapiens]" 100.00 165 99.39 100.00 9.31e-116 EMBL CAA34961 "unnamed protein product [Cricetulus longicaudatus]" 99.39 164 96.95 98.78 1.14e-112 EMBL CAA37039 "peptidylprolyl isomerase [Homo sapiens]" 100.00 165 100.00 100.00 2.43e-116 EMBL CAA68264 "unnamed protein product [Homo sapiens]" 100.00 165 100.00 100.00 2.43e-116 EMBL CAG32988 "PPIA [Homo sapiens]" 100.00 165 99.39 100.00 8.35e-116 EMBL CAH91833 "hypothetical protein [Pongo abelii]" 100.00 165 99.39 99.39 9.73e-116 GB AAB81959 "cyclophilin A [Papio hamadryas]" 100.00 165 100.00 100.00 2.43e-116 GB AAB81960 "cyclophilin A [Chlorocebus aethiops]" 100.00 165 100.00 100.00 2.43e-116 GB AAB81961 "cyclophilin A [Macaca mulatta]" 100.00 165 100.00 100.00 2.43e-116 GB AAF69142 "cyclophilin I [Bos taurus]" 56.97 94 98.94 100.00 3.84e-60 GB AAF78600 "cyclophilin A [Canis lupus familiaris]" 94.55 156 98.72 100.00 3.07e-108 PIR CSHYAC "peptidylprolyl isomerase (EC 5.2.1.8) A - Chinese hamster" 99.39 164 96.95 98.78 1.14e-112 PRF 1503232A "peptidyl-Pro cis trans isomerase" 99.39 164 98.78 100.00 8.74e-115 REF NP_001009370 "peptidyl-prolyl cis-trans isomerase A [Felis catus]" 99.39 164 96.95 98.78 1.33e-112 REF NP_001027981 "peptidyl-prolyl cis-trans isomerase A [Macaca mulatta]" 100.00 165 100.00 100.00 2.43e-116 REF NP_001126060 "peptidyl-prolyl cis-trans isomerase A [Pongo abelii]" 100.00 165 99.39 99.39 9.73e-116 REF NP_001270275 "uncharacterized protein LOC101866023 [Macaca fascicularis]" 63.64 105 99.05 100.00 1.03e-68 REF NP_001271703 "uncharacterized protein LOC101925040 [Macaca fascicularis]" 100.00 165 100.00 100.00 2.43e-116 SP P14851 "RecName: Full=Peptidyl-prolyl cis-trans isomerase A; Short=PPIase A; AltName: Full=Cyclophilin A; AltName: Full=Cyclosporin A-b" 99.39 164 96.95 98.78 1.14e-112 SP P62935 "RecName: Full=Peptidyl-prolyl cis-trans isomerase A; Short=PPIase A; AltName: Full=Cyclophilin A; AltName: Full=Cyclosporin A-b" 99.39 164 98.78 100.00 8.74e-115 SP P62936 "RecName: Full=Peptidyl-prolyl cis-trans isomerase A; Short=PPIase A; AltName: Full=Cyclophilin A; AltName: Full=Cyclosporin A-b" 99.39 164 98.78 100.00 8.74e-115 SP P62937 "RecName: Full=Peptidyl-prolyl cis-trans isomerase A; Short=PPIase A; AltName: Full=Cyclophilin A; AltName: Full=Cyclosporin A-b" 100.00 165 100.00 100.00 2.43e-116 SP P62938 "RecName: Full=Peptidyl-prolyl cis-trans isomerase A; Short=PPIase A; AltName: Full=Cyclophilin A; AltName: Full=Cyclosporin A-b" 100.00 165 100.00 100.00 2.43e-116 TPG DAA25853 "TPA: TRIM5/cyclophilin A fusion protein-like [Bos taurus]" 99.39 164 97.56 98.78 3.22e-113 TPG DAA25854 "TPA: TRIM5/cyclophilin A fusion protein-like [Bos taurus]" 99.39 164 97.56 98.78 3.22e-113 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $GroEL 'E. coli' 562 Bacteria . Escherichia coli $CypA human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $GroEL 'recombinant technology' . Escherichia coli W3110 pOF39 $CypA 'recombinant technology' . Escherichia coli . ns stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'CypA bound to GroEL' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CypA . uM 150 300 '[U-100% 15N]' $GroEL . uM 150 300 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'refolding; CypA bound to GroEL' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CypA 1 uM '[U-100% 15N]' $GroEL 1 uM 'natural abundance' MES 1 mM 'natural abundance' DTT 0.05 mM 'natural abundance' H2O 100 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details 'refolding; CypA bound to GroEL' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CypA 1 uM '[U-100% 15N]' $GroEL 1 uM 'natural abundance' MES 1 mM 'natural abundance' DTT 0.05 mM 'natural abundance' 'potassium chloride' 2 mM 'natural abundance' 'magnesium chloride' 2 mM 'natural abundance' ADP 1 mM 'natural abundance' H2O 100 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details 'refolding; CypA bound to GroEL' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CypA 1 uM '[U-100% 15N]' $GroEL 1 uM 'natural abundance' MES 1 mM 'natural abundance' DTT 0.05 mM 'natural abundance' 'potassium chloride' 2 mM 'natural abundance' 'magnesium chloride' 2 mM 'natural abundance' ATP 1 mM 'natural abundance' H2O 100 % 'natural abundance' stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details 'refolding; CypA bound to GroEL' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CypA 1 uM '[U-100% 15N]' $GroEL 1 uM 'natural abundance' MES 1 mM 'natural abundance' DTT 0.05 mM 'natural abundance' 'potassium chloride' 2 mM 'natural abundance' 'magnesium chloride' 2 mM 'natural abundance' ADP 1 mM 'natural abundance' GroES 2 uM 'natural abundance' H2O 100 % 'natural abundance' stop_ save_ save_sample_6 _Saveframe_category sample _Sample_type solution _Details 'refolding; CypA bound to GroEL' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CypA 1 uM '[U-100% 15N]' $GroEL 1 uM 'natural abundance' MES 1 mM 'natural abundance' DTT 0.05 mM 'natural abundance' 'potassium chloride' 2 mM 'natural abundance' 'magnesium chloride' 2 mM 'natural abundance' ATP 1 mM 'natural abundance' GroES 2 uM 'natural abundance' H2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_PROSA _Saveframe_category software _Name PROSA _Version . loop_ _Vendor _Address _Electronic_address Guntert . . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'data analysis' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_3 save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_5 save_ save_2D_1H-15N_HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_6 save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_5 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_5 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_6 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . pH pressure 1 . atm temperature 299 . K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . pH pressure 1 . atm temperature 279 . K stop_ save_ save_sample_conditions_3 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . pH pressure 1 . atm temperature 289 . K stop_ save_ save_sample_conditions_4 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 . pH pressure 1 . atm temperature 303 . K stop_ save_