BMRB Entry 16469

Title:
3J coupling constants related to the phi-torsion angles in Ribonuclease T1 (EC 3.1.27.3)
Deposition date:
2009-08-27
Original release date:
2012-04-25
Authors:
Schmidt, Jurgen; Lohr, Frank
Citation:

Citation: Schmidt, Jurgen; Lohr, Frank. "Refinement of Protein Tertiary Structure by Using Spin-Spin Coupling Constants from Nuclear Magnetic Resonance Measurements"  Protein Structure. (2012).

Assembly members:

Assembly members:
RNase_T1, polymer, 104 residues, 11089.3 Da.

Natural source:

Natural source:   Common Name: Aspergillus oryzae   Taxonomy ID: 5062   Superkingdom: Eukaryota   Kingdom: not available   Genus/species: Aspergillus oryzae

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pA2T1

Data sets:
Data typeCount
coupling constants512

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
  • Hide all

Assembly:

Entity Assembly IDEntity NameEntity ID
1Ribonuclease T11

Entities:

Entity 1, Ribonuclease T1 104 residues - 11089.3 Da.

1   ALACYSASPTYRTHRCYSGLYSERASNCYS
2   TYRSERSERSERASPVALSERTHRALAGLN
3   ALAALAGLYTYRLYSLEUHISGLUASPGLY
4   GLUTHRVALGLYSERASNSERTYRPROHIS
5   LYSTYRASNASNTYRGLUGLYPHEASPPHE
6   SERVALSERSERPROTYRTYRGLUTRPPRO
7   ILELEUSERSERGLYASPVALTYRSERGLY
8   GLYSERPROGLYALAASPARGVALVALPHE
9   ASNGLUASNASNGLNLEUALAGLYVALILE
10   THRHISTHRGLYALASERGLYASNASNPHE
11   VALGLUCYSTHR

Samples:

sample_1: RNase_T1, [U-95% 13C; U-95% 15N], 2 mM; D2O, [U-2H], 10%; H2O 90%

sample_conditions_1: pH: 5.5; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
3D-HA[HB,HN](CACO)NH quantitative J correlationsample_1isotropicsample_conditions_1
3D-[15N,1H]-TROSY-(H)CANNH[CO]-E.COSYsample_1isotropicsample_conditions_1
3D-heteronuclear relayed E.COSYsample_1isotropicsample_conditions_1
3D-[15N,1H]-TROSY-HNCA[CO]-E.COSYsample_1isotropicsample_conditions_1
3D-[15N,1H]-TROSY-HNCA[CB]-E.COSYsample_1isotropicsample_conditions_1
3D-[15N,1H]-TROSY-HNCB quantitative J correlationsample_1isotropicsample_conditions_1
3D-H(N)CA,CO[HA]-E.COSYsample_1isotropicsample_conditions_1
3D-H(N)CA,CO[CO]-E.COSYsample_1isotropicsample_conditions_1
3D-[15N,1H]-TROSY-HN(CO)CO quantitative J correlationsample_1isotropicsample_conditions_1
3D-H(N)CA,CO[CB]-E.COSYsample_1isotropicsample_conditions_1
3D-HN(CO)CB quantitative J correlationsample_1isotropicsample_conditions_1
3D-H(N)CO,CA[CA]-E.COSYsample_1isotropicsample_conditions_1

Software:

xwinnmr, Bruker Biospin - collection, processing

jeval, JM Schmidt - coupling constant extraction, data analysis, multiplet simulation

NMR spectrometers:

  • Bruker Avance 500 MHz
  • Bruker DRX 500 MHz
  • Bruker Avance 600 MHz
  • Bruker Avance 800 MHz
  • Bruker Avance 900 MHz

Related Database Links:

BMRB 15905 1658 16580
PDB
DBJ BAA05707 BAA08407 BAE64671
EMBL CAA30560
GB AAA72541 AAA72994 EED52238 EIT74451 KDE77875
REF XP_001825804 XP_002377402
SP P00651
AlphaFold P00651