BMRB Entry 52228

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR52228

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Title:
Assignment of trastuzumab-scFab
Deposition date:
2023-12-05
Original release date:
2024-05-02
Authors:
Gagne, Donald; Aramini, James; Aubin, Yves
Citation:

Citation: Gagne, Donald; Aramini, James; Aubin, Yves. "Assignment of trastuzumab-scFab"  Biomolecular NMR Assignments ., .-. (2024).

Assembly members:

Assembly members:
entity_1, polymer, 485 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: Human   Taxonomy ID: 9606   Superkingdom: Eukaryota   Kingdom: Metazoa   Genus/species: Homo sapiens

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET15

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: GSEVQLVESGGGLVQPGGSL RLSCAASGFNIKDTYIHWVR QAPGKGLEWVARIYPTNGYT RYADSVKGRFTISADTSKNT AYLQMNSLRAEDTAVYYCSR WGGDGFYAMDYWGQGTLVTV SSASTKGPSVFPLAPSSKST SGGTAALGCLVKDYFPEPVT VSWNSGALTSGVHTFPAVLQ SSGLYSLSSVVTVPSSSLGT QTYICNVNHKPSNTKVDKKV EPKSCDKTHTAPGGGGSGGG GSGGGGSGGGGSGGGGSGGG GSSSGLVPRGSDIQMTQSPS SLSASVGDRVTITCRASQDV NTAVAWYQQKPGKAPKLLIY SASFLYSGVPSRFSGSRSGT DFTLTISSLQPEDFATYYCQ QHYTTPPTFGQGTKVEIKRT VAAPSVFIFPPSDEQLKSGT ASVVCLLNNFYPREAKVQWK VDNALQSGNSQESVTEQDSK DSTYSLSSTLTLSKADYEKH KVYACEVTHQGLSSPVTKSF NRGEC

Data sets:
Data typeCount
13C chemical shifts1373
15N chemical shifts405
1H chemical shifts829

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1trastuzumab-scFab1

Entities:

Entity 1, trastuzumab-scFab 485 residues - Formula weight is not available

1   GLYSERGLUVALGLNLEUVALGLUSERGLY
2   GLYGLYLEUVALGLNPROGLYGLYSERLEU
3   ARGLEUSERCYSALAALASERGLYPHEASN
4   ILELYSASPTHRTYRILEHISTRPVALARG
5   GLNALAPROGLYLYSGLYLEUGLUTRPVAL
6   ALAARGILETYRPROTHRASNGLYTYRTHR
7   ARGTYRALAASPSERVALLYSGLYARGPHE
8   THRILESERALAASPTHRSERLYSASNTHR
9   ALATYRLEUGLNMETASNSERLEUARGALA
10   GLUASPTHRALAVALTYRTYRCYSSERARG
11   TRPGLYGLYASPGLYPHETYRALAMETASP
12   TYRTRPGLYGLNGLYTHRLEUVALTHRVAL
13   SERSERALASERTHRLYSGLYPROSERVAL
14   PHEPROLEUALAPROSERSERLYSSERTHR
15   SERGLYGLYTHRALAALALEUGLYCYSLEU
16   VALLYSASPTYRPHEPROGLUPROVALTHR
17   VALSERTRPASNSERGLYALALEUTHRSER
18   GLYVALHISTHRPHEPROALAVALLEUGLN
19   SERSERGLYLEUTYRSERLEUSERSERVAL
20   VALTHRVALPROSERSERSERLEUGLYTHR
21   GLNTHRTYRILECYSASNVALASNHISLYS
22   PROSERASNTHRLYSVALASPLYSLYSVAL
23   GLUPROLYSSERCYSASPLYSTHRHISTHR
24   ALAPROGLYGLYGLYGLYSERGLYGLYGLY
25   GLYSERGLYGLYGLYGLYSERGLYGLYGLY
26   GLYSERGLYGLYGLYGLYSERGLYGLYGLY
27   GLYSERSERSERGLYLEUVALPROARGGLY
28   SERASPILEGLNMETTHRGLNSERPROSER
29   SERLEUSERALASERVALGLYASPARGVAL
30   THRILETHRCYSARGALASERGLNASPVAL
31   ASNTHRALAVALALATRPTYRGLNGLNLYS
32   PROGLYLYSALAPROLYSLEULEUILETYR
33   SERALASERPHELEUTYRSERGLYVALPRO
34   SERARGPHESERGLYSERARGSERGLYTHR
35   ASPPHETHRLEUTHRILESERSERLEUGLN
36   PROGLUASPPHEALATHRTYRTYRCYSGLN
37   GLNHISTYRTHRTHRPROPROTHRPHEGLY
38   GLNGLYTHRLYSVALGLUILELYSARGTHR
39   VALALAALAPROSERVALPHEILEPHEPRO
40   PROSERASPGLUGLNLEULYSSERGLYTHR
41   ALASERVALVALCYSLEULEUASNASNPHE
42   TYRPROARGGLUALALYSVALGLNTRPLYS
43   VALASPASNALALEUGLNSERGLYASNSER
44   GLNGLUSERVALTHRGLUGLNASPSERLYS
45   ASPSERTHRTYRSERLEUSERSERTHRLEU
46   THRLEUSERLYSALAASPTYRGLULYSHIS
47   LYSVALTYRALACYSGLUVALTHRHISGLN
48   GLYLEUSERSERPROVALTHRLYSSERPHE
49   ASNARGGLYGLUCYS

Samples:

sample_1: trastuzumab-scFab, [U-100% 13C; U-100% 15N; U-100% 2H], 395 uM; Na Acetate-d3, [U-2H], 20 mM

sample_2: trastuzumab-scFab, [U-13C; U-15N; U-2H; 99% 1HD-Ile,Leu; 99% 1HG-Val], 464 uM; Na Acetate-d3, [U-2H], 20 mM

sample_3: trastuzumab-scFab, [U-10% 13C; U-100% 15N], 236 uM; Na Acetate-d3, [U-2H], 20 mM

sample_conditions_1: pH: 5.0; temperature: 313 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOsample_1isotropicsample_conditions_1
3D HN(CA)COsample_1isotropicsample_conditions_1
3D HNCAsample_1isotropicsample_conditions_1
3D HN(CO)CAsample_1isotropicsample_conditions_1
3D HNCACBsample_1isotropicsample_conditions_1
3D HN(CO)CACBsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_2isotropicsample_conditions_1
3D HCCH-TOCSYsample_2isotropicsample_conditions_1
2D 1H-15N TROSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_3isotropicsample_conditions_1

Software:

TOPSPIN v3.5.7 - collection

NMRViewJ v9.2.0-b27 - chemical shift assignment, data analysis, peak picking

TOPSPIN v4.0.8 - collection

NMRPipe v11.5 - processing

NMR spectrometers:

  • Bruker AVANCE NEO 600 MHz
  • Bruker AVANCE III 700 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks