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 6203

Title: 1H chemical shift assignments for ThrB12-DKP-insulin

Authors: Huang, K.; Xu, B.; Hu, S.; Chu, Y.; Hua, Q.; Whittaker, J.; Nakagawa, S.; DeMeyts, P.; Katsoyannis, P.; Weiss, M.

Citation: Huang, K.; Xu, B.; Hu, S.; Chu, Y.; Hua, Q.; Qu, Y.; Li, B.; Wang, S.; Wang, R.; Nakagawa, S.; Theede, A.; Whittaker, J.; De Meyts, P.; Katsoyannis, P.; Weiss, M.. "How Insulin Binds: the B-Chain alpha-Helix Contacts the L1 beta -Helix of the Insulin Receptor."  J. Mol. Biol. 341, 529-550 (2004).

Assembly members:
ThrB12-DKP-insulin, chain A, polymer, 21 residues, Formula weight is not available
ThrB12-DKP-insulin, chain B, polymer, 30 residues, Formula weight is not available

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

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):
ThrB12-DKP-insulin, chain A: GIVEQCCTSICSLYQLENYC N
ThrB12-DKP-insulin, chain B: FVNQHLCGSDLTEALYLVCG ERGFFYTKPT

Data sets:
Data typeCount
1H chemical shifts329

Additional metadata:

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

Assembly:

Entity Assembly IDEntity NameEntity ID
1insulin analogue chain A1
2insulin analogue chain B2

Entities:

Entity 1, insulin analogue chain A 21 residues - Formula weight is not available

1   GLYILEVALGLUGLNCYSCYSTHRSERILE
2   CYSSERLEUTYRGLNLEUGLUASNTYRCYS
3   ASN

Entity 2, insulin analogue chain B 30 residues - Formula weight is not available

1   PHEVALASNGLNHISLEUCYSGLYSERASP
2   LEUTHRGLUALALEUTYRLEUVALCYSGLY
3   GLUARGGLYPHEPHETYRTHRLYSPROTHR

Samples:

sample_1: ThrB12-DKP-insulin, chain A 1.2 mM; ThrB12-DKP-insulin, chain B 1.2 mM; H2O 90%; D2O 10%

sample_2: ThrB12-DKP-insulin, chain A 1.2 mM; ThrB12-DKP-insulin, chain B 1.2 mM; D2O 100%

sample_cond_1: pH: 7.0; temperature: 298 K; pressure: 1 atm

sample_cond_2: pH: 7.6; temperature: 305 K; pressure: 1 atm

Experiments:

NameSampleSample stateSample conditions
2D NOESYnot availablenot availablenot available
2D TOCSYnot availablenot availablenot available
DQF-COSYnot availablenot availablenot available

Software:

DGII vINSIGHTII 2000 - structure solution

X-PLOR v3.85 - simulated annealing refinement

NMR spectrometers:

  • Bruker DRX 800 MHz
  • Varian INOVA 600 MHz

Related Database Links:

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