BMRB Entry 18925

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR18925
MolProbity Validation Chart

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Title:
Structure of [D-HisB24] insulin analogue at pH 8.0
Deposition date:
2012-12-29
Original release date:
2013-03-01
Authors:
Zakova, Lenka; Veverka, Vaclav; Jiracek, Jiri
Citation:

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).
PubMed: 23447530

Assembly members:

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

Natural source:

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

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

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

Data sets:
Data typeCount
1H chemical shifts311

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; TRIS, [U-2H], 25 mM; H2O 95%; D2O 5%

sample_conditions_1: ionic strength: 0.025 M; pH: 8.0; 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:

BMRB 1000 1002 1004 1006 1008 1010 1012 1014 1016 1018 1020 1022 1023 11016 1344 15464 1585 1587 16026 16027 1632 16343 16608 16663 16915 17107 1761 17803 18858 18859 18921 18923 18924 19822 19978 19979 20052 20053 25260 25261 4266 1023 18921 18923 18924
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
AlphaFold P01308 P01311 P01315 P01321 P30406