BMRB Entry 25260

Click here to enlarge.

PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full, SPARTA
BMRB Entry DOI: doi:10.13018/BMR25260
MolProbity Validation Chart

NMR-STAR file interactive viewer.
NMR-STAR v3 text file.
XML gzip file.
RDF gzip file.
All files associated with the entry

Title:
Solution structure of human insulin at pH 1.9
Deposition date:
2014-10-02
Original release date:
2014-12-08
Authors:
Hexnerova, Rozalie; Krizkova, Kvetoslava; Maletinska, Lenka; Jiracek, Jiri; Brzozowski, Andrzej; Zakova, Lenka; Veverka, Vaclav
Citation:

Citation: Krizkova, Kvetoslava; Veverka, Vaclav; Maletinska, Lenka; Hexnerova, Rozalie; Brzozowski, Andrzej; Jiracek, Jiri; Zakova, Lenka. "Structural and Functional Study of the GlnB22-Insulin Mutant Responsible for Maturity-Onset Diabetes of the Young"  Plos ONE 9, e112883-e112883 (2014).
PubMed: 25423173

Assembly members:

Assembly members:
entity_1, polymer, 21 residues, 2383.700 Da.
entity_2, polymer, 30 residues, 3433.981 Da.

Natural source:

Natural source:   Common Name: human   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):
entity_1: GIVEQCCTSICSLYQLENYC N
entity_2: FVNQHLCGSHLVEALYLVCG ERGFFYTPKT

Data sets:
Data typeCount
13C chemical shifts131
15N chemical shifts40
1H chemical shifts355

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1entity_11
2entity_22

Entities:

Entity 1, entity_1 21 residues - 2383.700 Da.

1   GLYILEVALGLUGLNCYSCYSTHRSERILE
2   CYSSERLEUTYRGLNLEUGLUASNTYRCYS
3   ASN

Entity 2, entity_2 30 residues - 3433.981 Da.

1   PHEVALASNGLNHISLEUCYSGLYSERHIS
2   LEUVALGLUALALEUTYRLEUVALCYSGLY
3   GLUARGGLYPHEPHETYRTHRPROLYSTHR

Samples:

sample_1: entity_1 4 mM; entity_2 4 mM; acetic acid, [U-99% 2H], 20%; H2O 95%; D2O, [U-99% 2H], 5%

sample_conditions_1: pH: 1.9; pressure: 1 atm; temperature: 298 K

Experiments:

NameSampleSample stateSample conditions
2D 1H-15N HSQCsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D 1H-13C HSQCsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1

Software:

TOPSPIN, Bruker Biospin - collection

SPARKY, Goddard - chemical shift assignment

CYANA, Guntert, Mumenthaler and Wuthrich - structure solution

Yasara, n/a - refinement

NMR spectrometers:

  • Bruker Avance 600 MHz

Download HSQC peak lists in one of the following formats:
CSV: Backbone or all simulated peaks
SPARKY: Backbone or all simulated peaks