BMRB Entry 53440

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53440

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Title:
Bevacizumab-Fab
Deposition date:
2025-11-24
Original release date:
2026-03-31
Authors:
Gagne, Donald; Aubin, Yves
Citation:

Citation: Gagne, Donald; Aubin, Yves. "Differential labelling of Fab fragments from therapeutic monoclonal antibodies in Escherichia coli allows complete NMR assignment of backbone and side-chain methyl resonances"  Nat. Methods ., .-..

Assembly members:

Assembly members:
entity_1, polymer, 231 residues, Formula weight is not available
entity_2, polymer, 215 residues, Formula weight is not available

Natural source:

Natural source:   Common Name: E. coli   Taxonomy ID: 562   Superkingdom: Bacteria   Kingdom: not available   Genus/species: Escherichia coli

Experimental source:

Experimental source:   Production method: recombinant technology   Host organism: Escherichia coli   Vector: pET11a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MEVQLVESGGGLVQPGGSLR LSCAASGYTFTNYGMNWVRQ APGKGLEWVGWINTYTGEPT YAADFKRRFTFSLDTSKSTA YLQMNSLRAEDTAVYYCAKY PHYYGSSHWYFDVWGQGTLV TVSSASTKGPSVFPLAPSSK STSGGTAALGCLVKDYFPEP VTVSWNSGALTSGVHTFPAV LQSSGLYSLSSVVTVPSSSL GTQTYICNVNHKPSNTKVDK KVEPKSCDKTH
entity_2: MDIQMTQSPSSLSASVGDRV TITCSASQDISNYLNWYQQK PGKAPKVLIYFTSSLHSGVP SRFSGSGSGTDFTLTISSLQ PEDFATYYCQQYSTVPWTFG QGTKVEIKRTVAAPSVFIFP PSDEQLKSGTASVVCLLNNF YPREAKVQWKVDNALQSGNS QESVTEQDSKDSTYSLSSTL TLSKADYEKHKVYACEVTHQ GLSSPVTKSFNRGEC

Data sets:
Data typeCount
13C chemical shifts1360
15N chemical shifts378
1H chemical shifts966

Time Domain Data

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1HCfab1
2LC2

Entities:

Entity 1, HCfab 231 residues - Formula weight is not available

1   METGLUVALGLNLEUVALGLUSERGLYGLY
2   GLYLEUVALGLNPROGLYGLYSERLEUARG
3   LEUSERCYSALAALASERGLYTYRTHRPHE
4   THRASNTYRGLYMETASNTRPVALARGGLN
5   ALAPROGLYLYSGLYLEUGLUTRPVALGLY
6   TRPILEASNTHRTYRTHRGLYGLUPROTHR
7   TYRALAALAASPPHELYSARGARGPHETHR
8   PHESERLEUASPTHRSERLYSSERTHRALA
9   TYRLEUGLNMETASNSERLEUARGALAGLU
10   ASPTHRALAVALTYRTYRCYSALALYSTYR
11   PROHISTYRTYRGLYSERSERHISTRPTYR
12   PHEASPVALTRPGLYGLNGLYTHRLEUVAL
13   THRVALSERSERALASERTHRLYSGLYPRO
14   SERVALPHEPROLEUALAPROSERSERLYS
15   SERTHRSERGLYGLYTHRALAALALEUGLY
16   CYSLEUVALLYSASPTYRPHEPROGLUPRO
17   VALTHRVALSERTRPASNSERGLYALALEU
18   THRSERGLYVALHISTHRPHEPROALAVAL
19   LEUGLNSERSERGLYLEUTYRSERLEUSER
20   SERVALVALTHRVALPROSERSERSERLEU
21   GLYTHRGLNTHRTYRILECYSASNVALASN
22   HISLYSPROSERASNTHRLYSVALASPLYS
23   LYSVALGLUPROLYSSERCYSASPLYSTHR
24   HIS

Entity 2, LC 215 residues - Formula weight is not available

1   METASPILEGLNMETTHRGLNSERPROSER
2   SERLEUSERALASERVALGLYASPARGVAL
3   THRILETHRCYSSERALASERGLNASPILE
4   SERASNTYRLEUASNTRPTYRGLNGLNLYS
5   PROGLYLYSALAPROLYSVALLEUILETYR
6   PHETHRSERSERLEUHISSERGLYVALPRO
7   SERARGPHESERGLYSERGLYSERGLYTHR
8   ASPPHETHRLEUTHRILESERSERLEUGLN
9   PROGLUASPPHEALATHRTYRTYRCYSGLN
10   GLNTYRSERTHRVALPROTRPTHRPHEGLY
11   GLNGLYTHRLYSVALGLUILELYSARGTHR
12   VALALAALAPROSERVALPHEILEPHEPRO
13   PROSERASPGLUGLNLEULYSSERGLYTHR
14   ALASERVALVALCYSLEULEUASNASNPHE
15   TYRPROARGGLUALALYSVALGLNTRPLYS
16   VALASPASNALALEUGLNSERGLYASNSER
17   GLNGLUSERVALTHRGLUGLNASPSERLYS
18   ASPSERTHRTYRSERLEUSERSERTHRLEU
19   THRLEUSERLYSALAASPTYRGLULYSHIS
20   LYSVALTYRALACYSGLUVALTHRHISGLN
21   GLYLEUSERSERPROVALTHRLYSSERPHE
22   ASNARGGLYGLUCYS

Samples:

sample_1: HCfab, [U-13C; U-15N; U-2H; 99% 1HD-Ile,Leu; 99% 1HG-Val], mM; LC mM; ammonium acetate 20 mM; DSS 5 mM; D2O, [U-2H], 5%

sample_2: HCfab, [U-13C; U-15N; U-2H; 99% 1HD-Ile,Leu; 99% 1HG-Val], mM; LC mM; ammonium acetate 20 mM; DSS 5 mM; D2O, [U-2H], 5%

sample_3: HCfab mM; LC, [U-13C; U-15N; U-2H; 99% 1HD-Ile,Leu; 99% 1HG-Val], mM; ammonium acetate 20 mM; DSS 5 mM; D2O, [U-2H], 5%

sample_4: HCfab mM; LC, [U-13C; U-15N; U-2H; 99% 1HD-Ile,Leu; 99% 1HG-Val], mM; ammonium acetate 20 mM; DSS 5 mM; D2O, [U-2H], 5%

sample_conditions_1: pH: 5.0; temperature: 313 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-15N TROSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
3D HNCOsample_1isotropicsample_conditions_1
3D HNCACOsample_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_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D CCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1
3D HCCH-TOCSYsample_1isotropicsample_conditions_1

Software:

TOPSPIN - collection

NMRViewJ - chemical shift assignment, data analysis, peak picking

NMRPipe - processing

NMR spectrometers:

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

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