BMRB

Biological Magnetic Resonance Data Bank


A Repository for Data from NMR Spectroscopy on Proteins, Peptides, Nucleic Acids, and other Biomolecules
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BMRB Entry 18924

Title: Structure of [D-HisB24] insulin analogue at pH 1.9   PubMed: 23447530

Authors: Zakova, Lenka; Veverka, Vaclav; Jiracek, Jiri

Citation: Zakova, Lenka; Kletvikova, Emilia; Veverka, Vaclav; Lepsik, Martin; Watson, Christopher; Turkenburg, Johan; Jiracek, Jiri; Brzozowski, Andrzej. "Structural integrity of the b24 site in human insulin is important for hormone functionality."  J. Biol. Chem. 288, 10230-10240 (2013).

Assembly members:
chain_A, polymer, 21 residues, 2383.700 Da.
chain_B, polymer, 30 residues, 3424.954 Da.

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

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
chain_A: GIVEQCCTSICSLYQLENYC N
chain_B: FVNQHLCGSHLVEALYLVCG ERGHFYTPKT

Data sets:
Data typeCount
1H chemical shifts353

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1chain_A1
2chain_B2

Entities:

Entity 1, chain_A 21 residues - 2383.700 Da.

1   GLYILEVALGLUGLNCYSCYSTHRSERILE
2   CYSSERLEUTYRGLNLEUGLUASNTYRCYS
3   ASN

Entity 2, chain_B 30 residues - 3424.954 Da.

Residue His24 is a D-amino acid

1   PHEVALASNGLNHISLEUCYSGLYSERHIS
2   LEUVALGLUALALEUTYRLEUVALCYSGLY
3   GLUARGGLYHISPHETYRTHRPROLYSTHR

Samples:

sample_1: chain_A 0.250 mM; chain_B 0.250 mM; acetic acid, [U-2H], 20%; H2O, [U-2H], 95%; D2O, [U-2H], 5%

sample_conditions_1: ionic strength: . M; pH: 1.9; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

SPARKY, Goddard - chemical shift assignment

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

AMBER, Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman - structure solution

NMR spectrometers:

  • Bruker Avance 600 MHz

Related Database Links:

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PDB
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