BMRB Entry 6203

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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/BMR6203
MolProbity Validation Chart

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Title:
1H chemical shift assignments for ThrB12-DKP-insulin
Deposition date:
2004-05-10
Original release date:
2004-08-06
Authors:
Huang, K.; Xu, B.; Hu, S.; Chu, Y.; Hua, Q.; Whittaker, J.; Nakagawa, S.; DeMeyts, P.; Katsoyannis, P.; Weiss, M.
Citation:

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:

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:

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

Experimental source:

Experimental source:   Production method: chemical synthesis

Entity Sequences (FASTA):

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; pressure: 1 atm; temperature: 298 K

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

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:

BMRB 1000 1002 1004 1006 1008 1010 1012 1014 1016 1018 1020 1022 1023 11016 1344 15464 1585 1587 1632 1761 4266 4997 554 556 6204 6205 936 994 996 998
PDB
EMBL CAA23424 CAA23475 CAA23828 CAA43403 CAA43405
GenBank AAA17540 AAA19033 AAA36849 AAA59172 AAA59173
PRF 0601246A 1006230A 550086A 560164B 580107B
REF NP_000198 NP_001008996 NP_001075804 NP_001103242 NP_001123565
SWISS-PROT P01308 P01311 P01315 P01321 P30406