BMRB Entry 15450

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PDB ID:
Entry in NMR Restraints Grid
Validation report in NRG-CING
Chem Shift validation: AVS_full
BMRB Entry DOI: doi:10.13018/BMR15450
MolProbity Validation Chart

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Title:
ThrA3-DKP-insulin
Deposition date:
2007-08-31
Original release date:
2008-06-26
Authors:
Huang, Kun; Chan, Shu; Hua, Qing-xin; Chu, Ying-Chi; Wang, Run-ying; Klaproth, Birgit; Jia, Wenhua; Whittaker, Jonathan; De Meyts, Pierre; Nakagawa, Satoe; Steiner, Donald; Katsoyannis, Panayotis; Weiss, Michael
Citation:

Citation: Huang, Kun; Chan, Shu; Hua, Qing-xin; Chu, Ying-Chi; Wang, Run-ying; Klaproth, Birgit; Jia, Wenhua; Whittaker, Jonathan; De Meyts, Pierre; Nakagawa, Satoe; Steiner, Donald; Katsoyannis, Panayotis; Weiss, Michael. "The A-Chain of insulin contacts the insert domain of the insulin receptor. Photo-cross-linking and mutagenesis of a diabetes-related crevice."  J. Biol. Chem. 282, 35337-35349 (2007).
PubMed: 17884811

Assembly members:

Assembly members:
A-chain, polymer, 21 residues, 2385.673 Da.
B-chain, polymer, 30 residues, 3411.928 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):
A-chain: GITEQCCTSICSLYQLENYC N
B-chain: FVNQHLCGSDLVEALYLVCG ERGFFYTKPT

Data sets:
Data typeCount
1H chemical shifts310

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1A-chain1
2B-chain2

Entities:

Entity 1, A-chain 21 residues - 2385.673 Da.

1   GLYILETHRGLUGLNCYSCYSTHRSERILE
2   CYSSERLEUTYRGLNLEUGLUASNTYRCYS
3   ASN

Entity 2, B-chain 30 residues - 3411.928 Da.

1   PHEVALASNGLNHISLEUCYSGLYSERASP
2   LEUVALGLUALALEUTYRLEUVALCYSGLY
3   GLUARGGLYPHEPHETYRTHRLYSPROTHR

Samples:

sample_1: ThrA3-DKP-insulin 1 ± 0.2 mM; D2O 90%; H2O 10%

sample_2: ThrA3-DKP-insulin 1 ± 0.2 mM; D2O 100%

sample_3: ThrA3-DKP-insulin 1 ± 0.2 mM; D2O 80%; D-acetic acid 3.1 ± 0.2 M

sample_conditions_1: pH: 7; pressure: 1 atm; temperature: 308 K

sample_conditions_2: pD: 6.6; pressure: 1 atm; temperature: 308 K

sample_conditions_3: pD: 7.6; pressure: 1 atm; temperature: 315 K

sample_conditions_4: pH: 1.9; pressure: 1 atm; temperature: 308 K

sample_conditions_5: pD: 1.9; pressure: 1 atm; temperature: 308 K

Experiments:

NameSampleSample stateSample conditions
2D DQF-COSYsample_1isotropicsample_conditions_1
2D 1H-1H TOCSYsample_1isotropicsample_conditions_1
2D 1H-1H NOESYsample_1isotropicsample_conditions_1
2D DQF-COSYsample_2isotropicsample_conditions_2
2D 1H-1H TOCSYsample_2isotropicsample_conditions_2
2D 1H-1H NOESYsample_2isotropicsample_conditions_2
2D DQF-COSYsample_3isotropicsample_conditions_3
2D 1H-1H TOCSYsample_3isotropicsample_conditions_3
2D 1H-1H NOESYsample_3isotropicsample_conditions_3
2D DQF-COSYsample_3isotropicsample_conditions_4
2D 1H-1H TOCSYsample_3isotropicsample_conditions_4
2D 1H-1H NOESYsample_3isotropicsample_conditions_4
2D DQF-COSYsample_3isotropicsample_conditions_5
2D 1H-1H TOCSYsample_3isotropicsample_conditions_5
2D 1H-1H NOESYsample_3isotropicsample_conditions_5

Software:

CNS, Accelrys Software Inc. - refinement

X-PLOR v3.1, Brunger - refinement

NMR spectrometers:

  • Varian INOVA 600 MHz
  • Bruker DMX 800 MHz

Related Database Links:

PDB
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