Biological Magnetic Resonance Data Bank

A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
Member of WWPDB

BMRB Entry 20053

Title: Solution NMR structure of Insulin A-chain variant peptide   PubMed: 19954153

Deposition date: 2008-11-05 Original release date: 2010-03-01

Authors: Sharma, Alok; Zhang, Yong; Ling, Yan; Greer, Allison; Hafler, David; Kent, Sally; Rigby, Alan

Citation: Sharma, Alok; Ling, Yan; Greer, Allison; Hafler, David; Kent, Sally; Zhang, Yong; Rigby, Alan. "Evaluating the intrinsic cysteine redox-dependent states of the A-chain of human insulin using NMR spectroscopy, quantum chemical calculations, and mass spectrometry."  J. Phys. Chem. B 114, 585-591 (2010).

Assembly members:
Insulin_A-chain_variant_peptide, polymer, 17 residues, Formula weight is not available

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

Experimental source:   Production method: recombinant technology

Entity Sequences (FASTA):
Insulin_A-chain_variant_peptide: KRGIVEQCCTSICSLYQ

Data sets:
Data typeCount
13C chemical shifts46
1H chemical shifts119

Additional metadata:

  • Assembly
  • Samples and Experiments
  • Software
  • Spectrometers
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Entity Assembly IDEntity NameEntity ID


Entity 1, KR-A1-15 17 residues - Formula weight is not available



sample_1: Insulin A-chain variant peptide 2.16 mM; DMSO-d6 80%; H2O 20%

sample_conditions_1: pH: 5.5; temperature: 288 K


NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-1H ROESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1


NMRPipe v2007.030.16.06, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - processing

NMRDraw vversion 3.0 Rev 2007.068.09.07, Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax - data analysis, peak picking, processing

ANSIG vv3.3, Kraulis - chemical shift assignment, data analysis

CYANA v2.1, Guntert, Mumenthaler and Wuthrich - refinement, structure solution

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

BMRB 1000 1002 1004 1006 1008 1010 1012 1014 1016 1018 1020 1022 11016 1344 15464 16026 16027 1632 16343 16608 16663 16915 17107 1761 17803 18858 18859 18921 18923 18924 18925 19822 19978 19979 20052 25260 25261 4266
DBJ BAH59081 BAJ17943 BAM29044
EMBL CAA23424 CAA23475 CAA23828 CAA43403 CAA43405
GB AAA17540 AAA19033 AAA36849 AAA59172 AAA59173
PRF 0601246A 1006230A 550086A 560164B 580107B
REF NP_000198 NP_001008996 NP_001075804 NP_001103242 NP_001123565
SP P01308 P01311 P01315 P01321 P30406
AlphaFold P01308 P30406 P01321 P01315 P01311