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Chiral Mutagenesis of Insulin's Hidden Receptor-Binding Surface: Structure of an Allo-isoleucine A2 Analogue
Authors
Xu, B., Hua, Q., Nakagawa, S.H., Jia, W., Chu, Y., Katsoyannis, P.G., Weiss, M.A.
Assembly
Human insulin mutant
Entity
1. human insulin (polymer, Thiol state: all disulfide bound), 21 monomers, 2383.696 Da Detail

GXVEQCCTSI CSLYQLENYC N


2. human insulin (polymer, Thiol state: all disulfide bound), 30 monomers, 3407.868 Da Detail

FVNQHLCGSD LVEALYLVCG ERGFFYTKPT


Total weight
5791.564 Da
Max. entity weight
3407.868 Da
Entity Connection
disulfide 3 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing1:CYS20:SG2:CYS19:SG
2disulfidesing1:CYS7:SG2:CYS7:SG
3disulfidesing1:CYS6:SG1:CYS11: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: 36.9 %, Completeness (bb): 39.4 % Detail

Polymer type: polypeptide(L)

Total1H
All36.9 % (108 of 293)36.9 % (108 of 293)
Backbone39.4 % (39 of 99)39.4 % (39 of 99)
Sidechain35.6 % (69 of 194)35.6 % (69 of 194)
Aromatic12.1 % (4 of 33)12.1 % (4 of 33)
Methyl34.6 % (9 of 26)34.6 % (9 of 26)

1. human insulin

GXVEQCCTSI CSLYQLENYC N

2. human insulin

FVNQHLCGSD LVEALYLVCG ERGFFYTKPT

Sample

Temperature 298 (±1) K, pH 7.0 (±0.1)


#NameIsotope labelingTypeConcentration
1human insulin1.2 mM
2human insulin1.2 mM

Chem. Shift Complete2
Sequence coverage: 64.7 %, Completeness: 45.7 %, Completeness (bb): 50.5 % Detail

Polymer type: polypeptide(L)

Total1H
All45.7 % (268 of 586)45.7 % (268 of 586)
Backbone50.5 % (100 of 198)50.5 % (100 of 198)
Sidechain43.3 % (168 of 388)43.3 % (168 of 388)
Aromatic21.2 % (14 of 66)21.2 % (14 of 66)
Methyl50.0 % (26 of 52)50.0 % (26 of 52)

1. human insulin

GXVEQCCTSI CSLYQLENYC N

2. human insulin

FVNQHLCGSD LVEALYLVCG ERGFFYTKPT

Sample

Temperature 298 (±1) K, pH 7.0 (±0.1)


#NameIsotope labelingTypeConcentration
1human insulin1.2 mM
2human insulin1.2 mM

Chem. Shift Complete3
Sequence coverage: 43.1 %, Completeness: 42.1 %, Completeness (bb): 45.5 % Detail

Polymer type: polypeptide(L)

Total1H
All42.1 % (370 of 879)42.1 % (370 of 879)
Backbone45.5 % (135 of 297)45.5 % (135 of 297)
Sidechain40.4 % (235 of 582)40.4 % (235 of 582)
Aromatic20.2 % (20 of 99)20.2 % (20 of 99)
Methyl47.4 % (37 of 78)47.4 % (37 of 78)

1. human insulin

GXVEQCCTSI CSLYQLENYC N

2. human insulin

FVNQHLCGSD LVEALYLVCG ERGFFYTKPT

Sample

Temperature 305 (±1) K


#NameIsotope labelingTypeConcentration
1human insulin1.2 mM
2human insulin1.2 mM

Chem. Shift Complete4
Sequence coverage: 60.8 %, Completeness: 43.4 %, Completeness (bb): 47.2 % Detail

Polymer type: polypeptide(L)

Total1H
All43.4 % (509 of 1172)43.4 % (509 of 1172)
Backbone47.2 % (187 of 396)47.2 % (187 of 396)
Sidechain41.5 % (322 of 776)41.5 % (322 of 776)
Aromatic21.2 % (28 of 132)21.2 % (28 of 132)
Methyl49.0 % (51 of 104)49.0 % (51 of 104)

1. human insulin

GXVEQCCTSI CSLYQLENYC N

2. human insulin

FVNQHLCGSD LVEALYLVCG ERGFFYTKPT

Sample

Temperature 305 (±1) K


#NameIsotope labelingTypeConcentration
1human insulin1.2 mM
2human insulin1.2 mM

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


Release date
2008-07-16
Citation
Chiral mutagenesis of insulin's hidden receptor-binding surface: structure of an allo-isoleucine(A2) analogue
Jia, W., Xu, B., Hua, Q., Nakagawa, S.H., Chu, Y., Katsoyannis, P.G., Weiss, M.A.
J. Mol. Biol. (2002), 316, 435-441, PubMed 11866509 , DOI 10.1006/jmbi.2001.5377 ,
Related entities 1. human insulin, : 118 : 83 entities Detail
Related entities 2. human insulin, : 1 : 10 : 112 : 75 entities Detail
Interaction partners 1. human insulin, : 4 : 1 interactors Detail
Interaction partners 2. human insulin, : 6 : 1 interactors Detail
Experiments performed 3 experiments Detail
Keywords protein folding, insulin, insulin analogues, insulin receptor, insulin chain combination