BMRB Entry 6205

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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/BMR6205
MolProbity Validation Chart

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Title:
1H chemical shift assignments for AbaB12-DKP-insulin
Deposition date:
2004-05-10
Original release date:
2008-07-15
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:
AbaB12-DKP-insulin, chain A, polymer, 21 residues, Formula weight is not available
AbaB12-DKP-insulin, chain B, polymer, 30 residues, 103.120 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):
AbaB12-DKP-insulin, chain A: GIVEQCCTSICSLYQLENYC N
AbaB12-DKP-insulin, chain B: FVNQHLCGSDLXEALYLVCG ERGFFYTKPT

Data sets:
Data typeCount
1H chemical shifts275

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 - 103.120 Da.

1   PHEVALASNGLNHISLEUCYSGLYSERASP
2   LEUABAGLUALALEUTYRLEUVALCYSGLY
3   GLUARGGLYPHEPHETYRTHRLYSPROTHR

Samples:

sample_1: AbaB12-DKP-insulin, chain A 1.2 mM; AbaB12-DKP-insulin, chain B 1.2 mM; H2O 90%; D2O 10%

sample_2: AbaB12-DKP-insulin, chain A 1.2 mM; AbaB12-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 1761 4997 6203 6204 4266
PDB
EMBL CAA23475.1 CAA23828.1 CAA43403.1 CAA43405.1 CAA49913.1
GenBank ABP93829.1 ABI63346.1 AAP36446.1 AAX29480.1 AAX29481.1
PRF 560164B 580107B 600165A 1006230A 0601246A
REF NP_000198.1 NP_001008996.1 NP_001075804.1 XP_540786.1
SWISS-PROT P67973 P67974 P30406 P30410 Q91XI3