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1H chemical shift assignments for AbaB12-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. AbaB12-DKP-insulin, chain A (polymer, Thiol state: all disulfide bound), 21 monomers, 2383.696 Da Detail

GIVEQCCTSI CSLYQLENYC N


2. AbaB12-DKP-insulin, chain B (polymer, Thiol state: all disulfide bound), 30 monomers, 3393.842 Da Detail

FVNQHLCGSD LXEALYLVCG ERGFFYTKPT


Total weight
5777.538 Da
Max. entity weight
3393.842 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: 41.2 %, Completeness: 39.3 %, Completeness (bb): 41.4 % Detail

Polymer type: polypeptide(L)

Total1H
All39.3 % (116 of 295)39.3 % (116 of 295)
Backbone41.4 % (41 of 99)41.4 % (41 of 99)
Sidechain38.3 % (75 of 196)38.3 % (75 of 196)
Aromatic24.2 % (8 of 33)24.2 % (8 of 33)
Methyl42.3 % (11 of 26)42.3 % (11 of 26)

1. AbaB12-DKP-insulin, chain A

GIVEQCCTSI CSLYQLENYC N

2. AbaB12-DKP-insulin, chain B

FVNQHLCGSD LXEALYLVCG ERGFFYTKPT

Sample

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


#NameIsotope labelingTypeConcentration
1AbaB12-DKP-insulin, chain A1.2 mM
2AbaB12-DKP-insulin, chain B1.2 mM
3H2O90 %
4D2O10 %

Chem. Shift Complete2
Sequence coverage: 56.9 %, Completeness: 46.4 %, Completeness (bb): 48.0 % Detail

Polymer type: polypeptide(L)

Total1H
All46.4 % (274 of 590)46.4 % (274 of 590)
Backbone48.0 % (95 of 198)48.0 % (95 of 198)
Sidechain45.7 % (179 of 392)45.7 % (179 of 392)
Aromatic43.9 % (29 of 66)43.9 % (29 of 66)
Methyl50.0 % (26 of 52)50.0 % (26 of 52)

1. AbaB12-DKP-insulin, chain A

GIVEQCCTSI CSLYQLENYC N

2. AbaB12-DKP-insulin, chain B

FVNQHLCGSD LXEALYLVCG ERGFFYTKPT

Sample

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


#NameIsotope labelingTypeConcentration
1AbaB12-DKP-insulin, chain A1.2 mM
2AbaB12-DKP-insulin, chain B1.2 mM
3H2O90 %
4D2O10 %

Protein Blocks Logo
Calculated from 15 models in PDB: 1T1Q, Strand ID: A, B Detail


Release date
2008-07-14
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. AbaB12-DKP-insulin, chain A, : 111 : 9 : 7 : 74 entities Detail
Related entities 2. AbaB12-DKP-insulin, chain B, : 1 : 116 : 81 entities Detail
Interaction partners 1. AbaB12-DKP-insulin, chain A, : 1 : 1 interactors Detail
Interaction partners 2. AbaB12-DKP-insulin, chain B, : 6 : 1 interactors Detail
Experiments performed 3 experiments Detail
Keywords Ala-B12-DKP-insulin, protein unfolding, insulin receptor, receptor binding