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1H chemical shift assignments for ThrB12-DKP-insulin
Authors
Huang, K., Xu, B., Hu, S.Q., Chu, Y.C., Hua, Q.X., Whittaker, J., Nakagawa, S.H., DeMeyts, P., Katsoyannis, P.G., Weiss, M.A.
Assembly
insulin analogue
Entity
1. ThrB12-DKP-insulin, chain A (polymer, Thiol state: all disulfide bound), 21 monomers, 2383.696 Da Detail

GIVEQCCTSI CSLYQLENYC N


2. ThrB12-DKP-insulin, chain B (polymer, Thiol state: all disulfide bound), 30 monomers, 3409.841 Da Detail

FVNQHLCGSD LTEALYLVCG ERGFFYTKPT


Total weight
5793.537 Da
Max. entity weight
3409.841 Da
Entity Connection
disulfide 3 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing0:CYS6:SG1:CYS11:SG
2disulfidesing0:CYS7:SG2:CYS7:SG
3disulfidesing0:CYS20:SG2:CYS19:SG

Source organism
Homo sapiens
Exptl. method
NMR
Refine. method
DISTANCE GEOMETRY AND SIMULATED ANNEALING
Data set
assigned_chemical_shifts
Chem. Shift Complete1
Sequence coverage: 39.2 %, Completeness: 36.5 %, Completeness (bb): 36.6 % Detail

Polymer type: polypeptide(L)

Total1H
All36.5 % (109 of 299)36.5 % (109 of 299)
Backbone36.6 % (37 of 101)36.6 % (37 of 101)
Sidechain36.4 % (72 of 198)36.4 % (72 of 198)
Aromatic24.2 % (8 of 33)24.2 % (8 of 33)
Methyl40.7 % (11 of 27)40.7 % (11 of 27)

1. ThrB12-DKP-insulin, chain A

GIVEQCCTSI CSLYQLENYC N

2. ThrB12-DKP-insulin, chain B

FVNQHLCGSD LTEALYLVCG ERGFFYTKPT

Sample

Pressure 1 atm, Temperature 298 (±1) K, pH 7.0 (±0.1)


#NameIsotope labelingTypeConcentration
1ThrB12-DKP-insulin, chain A1.2 mM
2ThrB12-DKP-insulin, chain B1.2 mM
3H2O90 %
4D2O10 %

Chem. Shift Complete2
Sequence coverage: 58.8 %, Completeness: 46.0 %, Completeness (bb): 45.5 % Detail

Polymer type: polypeptide(L)

Total1H
All46.0 % (275 of 598)46.0 % (275 of 598)
Backbone45.5 % (92 of 202)45.5 % (92 of 202)
Sidechain45.2 % (179 of 396)45.2 % (179 of 396)
Aromatic43.9 % (29 of 66)43.9 % (29 of 66)
Methyl46.3 % (25 of 54)46.3 % (25 of 54)

1. ThrB12-DKP-insulin, chain A

GIVEQCCTSI CSLYQLENYC N

2. ThrB12-DKP-insulin, chain B

FVNQHLCGSD LTEALYLVCG ERGFFYTKPT

Sample

Pressure 1 atm, Temperature 298 (±1) K, pH 7.0 (±0.1)


#NameIsotope labelingTypeConcentration
1ThrB12-DKP-insulin, chain A1.2 mM
2ThrB12-DKP-insulin, chain B1.2 mM
3H2O90 %
4D2O10 %

Protein Blocks Logo
Calculated from 15 models in PDB: 1T1P, Strand ID: A, B Detail


Release date
2004-08-05
Citation
How Insulin Binds: the B-Chain alpha-Helix Contacts the L1 beta -Helix of the Insulin Receptor
Huang, K., Xu, B., Hu, S.Q., Chu, Y.C., Hua, Q.X., Qu, Y., Li, B., Wang, S., Wang, R.Y., Nakagawa, S.H., Theede, A.M., Whittaker, J., De Meyts, P., Katsoyannis, P.G., Weiss, M.A.
J. Mol. Biol. (2004), 341, 529-550, PubMed , DOI:
Related entities 1. ThrB12-DKP-insulin, chain A, : 111 : 9 : 7 : 74 entities Detail
Related entities 2. ThrB12-DKP-insulin, chain B, : 1 : 116 : 79 entities Detail
Interaction partners 1. ThrB12-DKP-insulin, chain A, : 1 : 1 interactors Detail
Interaction partners 2. ThrB12-DKP-insulin, chain B, : 6 : 1 interactors Detail
Experiments performed 3 experiments Detail
Keywords Thr-B12-DKP-insulin, protein unfolding, insulin receptor, receptor binding