BMRB Entry 53197

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53197

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Title:
NMR assignment of the Fc (fragment crystallizable) region of human immunoglobulin G1 glycoprotein of bevacizumab, in non-fucosylated and non-galactosylated (G0) glycoforms
Deposition date:
2025-05-20
Original release date:
2026-03-31
Authors:
Gagne, Donald; Aubin, Yves
Citation:

Citation: Gagne, Donald; Aubin, Yves. "New approach to mAb production in Escherichia coli"  .

Assembly members:

Assembly members:
entity_1, polymer, 224 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: p11a

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: MTCPPCPAPELLGGPSVFLF PPKPKDTLMISRTPEVTCVV VDVSHEDPEVKFNWYVDGVE VHNAKTKPREEQYNSTYRVV SVLTVLHQDWLNGKEYKCKV SNKALPAPIEKTISKAKGQP REPQVYTLPPSREEMTKNQV SLTCLVKGFYPSDIAVEWES NGQPENNYKTTPPVLDSDGS FFLYSKLTVDKSRWQQGNVF SCSVMHEALHNHYTQKSLSL SPGK

Data sets:
Data typeCount
13C chemical shifts663
15N chemical shifts178
1H chemical shifts474

Time Domain Data

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
111
221

Entities:

Entity 1, 1 224 residues - Formula weight is not available

The sequence refers to FcEEM of bevacizumab, where residues 362-364 are described as EEM (as opposed to DEL)

1   METTHRCYSPROPROCYSPROALAPROGLU
2   LEULEUGLYGLYPROSERVALPHELEUPHE
3   PROPROLYSPROLYSASPTHRLEUMETILE
4   SERARGTHRPROGLUVALTHRCYSVALVAL
5   VALASPVALSERHISGLUASPPROGLUVAL
6   LYSPHEASNTRPTYRVALASPGLYVALGLU
7   VALHISASNALALYSTHRLYSPROARGGLU
8   GLUGLNTYRASNSERTHRTYRARGVALVAL
9   SERVALLEUTHRVALLEUHISGLNASPTRP
10   LEUASNGLYLYSGLUTYRLYSCYSLYSVAL
11   SERASNLYSALALEUPROALAPROILEGLU
12   LYSTHRILESERLYSALALYSGLYGLNPRO
13   ARGGLUPROGLNVALTYRTHRLEUPROPRO
14   SERARGGLUGLUMETTHRLYSASNGLNVAL
15   SERLEUTHRCYSLEUVALLYSGLYPHETYR
16   PROSERASPILEALAVALGLUTRPGLUSER
17   ASNGLYGLNPROGLUASNASNTYRLYSTHR
18   THRPROPROVALLEUASPSERASPGLYSER
19   PHEPHELEUTYRSERLYSLEUTHRVALASP
20   LYSSERARGTRPGLNGLNGLYASNVALPHE
21   SERCYSSERVALMETHISGLUALALEUHIS
22   ASNHISTYRTHRGLNLYSSERLEUSERLEU
23   SERPROGLYLYS

Samples:

sample_1: entity_1, [VAL, LEU, ILE methyl-protonated 15N-, 13C-, 2H-labeled], uM; sodium acetate, d3, 50 uM; DSS 1 M

sample_2: entity_1, [VAL, LEU, ILE methyl-protonated 15N-, 13C-, 2H-labeled], uM; sodium acetate, d3, 50 uM; DSS 1 M

sample_conditions_1: pH: 5.0; pressure: 1 atm; temperature: 313 K

Experiments:

NameSampleSample stateSample conditions
3D HNCOsample_2isotropicsample_conditions_1
3D HN(CA)COsample_2isotropicsample_conditions_1
3D HNCAsample_2isotropicsample_conditions_1
3D HN(CO)CAsample_2isotropicsample_conditions_1
3D HNCACBsample_2isotropicsample_conditions_1
3D HN(CO)CACBsample_2isotropicsample_conditions_1
3D CCC_TOCSYsample_2isotropicsample_conditions_1
3D HCC_TOCSYsample_2isotropicsample_conditions_1
3D CCC_CA_TOCSYsample_2isotropicsample_conditions_1
3D HCC_CA_TOCSYsample_2isotropicsample_conditions_1
2D 1H-15N TROSYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1

Software:

TOPSPIN v3.5 pl7 - Data acquisition Avance III HD 700MHz NMR spectrometer

TOPSPIN v4.0.8 - Data acquisition Avance Neo 600MHz NMR spectrometer

NMRPipe v11.5 Rev 2023.105.21.31 - processing

NMRViewJ v9.2.0-b27 - chemical shift assignment

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