BMRB: 5246

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

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS20:SG	2:CYS19:SG
2	disulfide	sing	1:CYS7:SG	2:CYS7:SG
3	disulfide	sing	1:CYS6:SG	1: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: 41.2 %, Completeness: 36.2 %, Completeness (bb): 39.8 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	36.2 % (106 of 293)	36.2 % (106 of 293)
Backbone	39.8 % (41 of 103)	39.8 % (41 of 103)
Sidechain	34.2 % (65 of 190)	34.2 % (65 of 190)
Aromatic	12.1 % (4 of 33)	12.1 % (4 of 33)
Methyl	34.6 % (9 of 26)	34.6 % (9 of 26)

1. human insulin

GXVEQCCTSI CSLYQLENYC N

2. human insulin

FVNQHLCGSD LVEALYLVCG ERGFFYTKPT

Show sample condition

Sample

Temperature 298 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	human insulin			1.2 mM
2	human insulin			1.2 mM

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Chem. Shift Complete2

Sequence coverage: 62.7 %, Completeness: 45.2 %, Completeness (bb): 51.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	45.2 % (265 of 586)	45.2 % (265 of 586)
Backbone	51.0 % (105 of 206)	51.0 % (105 of 206)
Sidechain	42.1 % (160 of 380)	42.1 % (160 of 380)
Aromatic	21.2 % (14 of 66)	21.2 % (14 of 66)
Methyl	50.0 % (26 of 52)	50.0 % (26 of 52)

1. human insulin

GXVEQCCTSI CSLYQLENYC N

2. human insulin

FVNQHLCGSD LVEALYLVCG ERGFFYTKPT

Show sample condition

Sample

Temperature 298 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	human insulin			1.2 mM
2	human insulin			1.2 mM

Hide sample codition

Chem. Shift Complete3

Sequence coverage: 37.3 %, Completeness: 40.3 %, Completeness (bb): 43.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	40.3 % (354 of 879)	40.3 % (354 of 879)
Backbone	43.4 % (134 of 309)	43.4 % (134 of 309)
Sidechain	38.4 % (219 of 570)	38.4 % (219 of 570)
Aromatic	18.2 % (18 of 99)	18.2 % (18 of 99)
Methyl	44.9 % (35 of 78)	44.9 % (35 of 78)

1. human insulin

GXVEQCCTSI CSLYQLENYC N

2. human insulin

FVNQHLCGSD LVEALYLVCG ERGFFYTKPT

Show sample condition

Sample

Temperature 305 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	human insulin			1.2 mM
2	human insulin			1.2 mM

Hide sample codition

Chem. Shift Complete4

Sequence coverage: 62.7 %, Completeness: 42.5 %, Completeness (bb): 45.1 % Detail

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• BMRB/XML (partial)
• CSV
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Polymer type: polypeptide(L)

	Total	1H
All	42.5 % (498 of 1172)	42.5 % (498 of 1172)
Backbone	45.1 % (186 of 412)	45.1 % (186 of 412)
Sidechain	40.9 % (311 of 760)	40.9 % (311 of 760)
Aromatic	19.7 % (26 of 132)	19.7 % (26 of 132)
Methyl	50.0 % (52 of 104)	50.0 % (52 of 104)

1. human insulin

GXVEQCCTSI CSLYQLENYC N

2. human insulin

FVNQHLCGSD LVEALYLVCG ERGFFYTKPT

Show sample condition

Sample

Temperature 305 (±1) K

#	Name	Isotope labeling	Type	Concentration
1	human insulin			1.2 mM
2	human insulin			1.2 mM

Hide sample codition

Protein Blocks Logo

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

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Release date

2008-07-16

Citation

Chiral mutagenesis of insulin's hidden receptor-binding surface: structure of an allo-isoleucine(A2) analogue
Xu, B., Hua, Q., Nakagawa, S.H., Jia, W., Chu, Y., Katsoyannis, P.G., Weiss, M.A.
J. Mol. Biol. (2002), 316, 435-441, PubMed 11866509 , DOI 10.1006/jmbi.2001.5377 , Abstract

Related entities 1. human insulin, : 119 : 100 entities Detail

Related entities 2. human insulin, : 1 : 10 : 1 : 115 : 92 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