BMRB Entry 53403

Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR53403

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Title:
Methyl assignments of the Fc fragment of human IgG1 (fucosylated, non-galactosylated; FG0 glycoform)
Deposition date:
2025-10-23
Original release date:
2026-02-14
Authors:
Yanaka, Saeko; Koseki, Yuuki; Miyanoiri, Yohei; Yamazaki, Toshio; Terauchi, Tsutomu; Kaneko, Daichi; Isono, Yukiko; Tomita, Kohei; Kondo, Sachiko; Onitsuka, Masayoshi; Yagi-Utsumi, Maho; Yagi, Hirokazu; Ishii-Watabe, Akiko; Kato, Koichi
Citation:

Citation: Yanaka, Saeko; Koseki, Yuuki; Miyanoiri, Yohei; Yamazaki, Toshio; Terauchi, Tsutomu; Kaneko, Daichi; Isono, Yukiko; Tomita, Kohei; Kondo, Sachiko; Onitsuka, Masayoshi; Yagi-Utsumi, Maho; Yagi, Hirokazu; Ishii-Watabe, Akiko; Kato, Koichi. "Unlabeled NMR Approach with Site-Specific Methyl Assignments for Structural Evaluation of the IgG1 Fc Region"  J. Am. Chem. Soc. ., .-. (2026).
PubMed: 41670215

Assembly members:

Assembly members:
entity_1, polymer, 231 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: Cricetulus griseus   Vector: none

Entity Sequences (FASTA):

Entity Sequences (FASTA):
entity_1: TCPPCPAPELLGGPSVFLFK PKPKDTLMISRTPEVTCVVV DVSHEDPEVKFNWYVDGVEV HNAKTKPREEQYNSTYRVVS VLTVLHQDWLNGKEYKCKVS NKALPAPIEKTISKAKGQPR EPQVYTLPPSRDELTKNQVS LTCLVKGFYPSDIAVEWESN GQPENNYKTTPPVLDSDGSF FLYSKLTVDKSRWQQGNVFS CSVMHEALHNHYTQKSLSLS PGKXXXXXXXX

Data sets:
Data typeCount
13C chemical shifts108
1H chemical shifts316

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1Fc fragment of human immunoglobulin G1 glycoprotein fucosylated, non-galactosylated (FG0) glycoform1

Entities:

Entity 1, Fc fragment of human immunoglobulin G1 glycoprotein fucosylated, non-galactosylated (FG0) glycoform 231 residues - Formula weight is not available

1   THRCYSPROPROCYSPROALAPROGLULEU
2   LEUGLYGLYPROSERVALPHELEUPHELYS
3   PROLYSPROLYSASPTHRLEUMETILESER
4   ARGTHRPROGLUVALTHRCYSVALVALVAL
5   ASPVALSERHISGLUASPPROGLUVALLYS
6   PHEASNTRPTYRVALASPGLYVALGLUVAL
7   HISASNALALYSTHRLYSPROARGGLUGLU
8   GLNTYRASNSERTHRTYRARGVALVALSER
9   VALLEUTHRVALLEUHISGLNASPTRPLEU
10   ASNGLYLYSGLUTYRLYSCYSLYSVALSER
11   ASNLYSALALEUPROALAPROILEGLULYS
12   THRILESERLYSALALYSGLYGLNPROARG
13   GLUPROGLNVALTYRTHRLEUPROPROSER
14   ARGASPGLULEUTHRLYSASNGLNVALSER
15   LEUTHRCYSLEUVALLYSGLYPHETYRPRO
16   SERASPILEALAVALGLUTRPGLUSERASN
17   GLYGLNPROGLUASNASNTYRLYSTHRTHR
18   PROPROVALLEUASPSERASPGLYSERPHE
19   PHELEUTYRSERLYSLEUTHRVALASPLYS
20   SERARGTRPGLNGLNGLYASNVALPHESER
21   CYSSERVALMETHISGLUALALEUHISASN
22   HISTYRTHRGLNLYSSERLEUSERLEUSER
23   PROGLYLYSGN1GN2GN3GN4GN5GN6GN7
24   GN8

Samples:

sample_1: Fc fragment of human immunoglobulin G1 glycoprotein fucosylated, non-galactosylated (FG0) glycoform, [U-100% 13C; U-100% 15N], 20 mg/mL; sodium chloride 50 mM; sodium phosphate 5 mM

sample_conditions_1: pH: 7.4; temperature: 315 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-13C HMQCsample_1isotropicsample_conditions_1
3D HCCH-COSYsample_1isotropicsample_conditions_1
3D 1H-15N TOCSYsample_1isotropicsample_conditions_1
3D 1H-13C NOESYsample_1isotropicsample_conditions_1
3D 1H-15N NOESYsample_1isotropicsample_conditions_1

Software:

TOPSPIN, POKY - chemical shift assignment, collection, data analysis

NMR spectrometers:

  • Bruker AVANCE NEO, AVANCE III 800, 950 MHz