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allo-ThrA3 DKP-insulin
Authors
Huang, K., Chan, S., Hua, Q., Chu, Y., Wang, R., Klaproth, B., Jia, W., Whittaker, J., De Meyts, P., Nakagawa, S.H., Steiner, D.F., Katsoyannis, P.G., Weiss, M.A.
Assembly
ALOA3-DKP-insulin
Entity
1. allo-Thr A chain (polymer, Thiol state: all disulfide bound), 21 monomers, 2385.669 Da Detail

GIXEQCCTSI CSLYQLENYC N


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

FVNQHLCGSD LVEALYLVCG ERGFFYTKPT


Total weight
5793.537 Da
Max. entity weight
3407.868 Da
Entity Connection
disulfide 3 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing1:CYS6:SG1:CYS11:SG
2disulfidesing1:CYS7:SG2:CYS7:SG
3disulfidesing1:CYS20:SG2:CYS19:SG

Exptl. method
SOLUTION NMR
Refine. method
DGSA-distance geometry, simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 94.1 %, Completeness: 83.7 %, Completeness (bb): 83.8 % Detail

Polymer type: polypeptide(L)

Total1H
All83.7 % (247 of 295)83.7 % (247 of 295)
Backbone83.8 % (83 of 99)83.8 % (83 of 99)
Sidechain83.7 % (164 of 196)83.7 % (164 of 196)
Aromatic75.8 % (25 of 33)75.8 % (25 of 33)
Methyl100.0 % (26 of 26)100.0 % (26 of 26)

1. allo-Thr A chain

GIXEQCCTSI CSLYQLENYC N

2. B chain

FVNQHLCGSD LVEALYLVCG ERGFFYTKPT

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7


#NameIsotope labelingTypeConcentration
1allo-ThrA3 DKP-insulinnatural abundance1 mM
2H2O90 %
3D2O10 %
Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 7, Details pD 6.6 25 degree


#NameIsotope labelingTypeConcentration
4allo-ThrA3-DKP-insulinnatural abundance1 mM
5D2O100 %
Sample #3

Solvent system 20% D-acetic acid/80% H2O, Pressure 1 atm, Temperature 308 K, pH 7, Details pH 1.9, 25 degree


#NameIsotope labelingTypeConcentration
6allo-ThrA3 DKP-insulinnatural abundance1 mM
7D-acetic acidnatural abundance3.1 M
8H2O80 %
Sample #4

Solvent system 20%D-acetic acid/80% D2O, Pressure 1 atm, Temperature 308 K, pH 7, Details pD 1.9, 25 degree


#NameIsotope labelingTypeConcentration
9ThrA3-DKP-insulinnatural abundance1 mM
10D-acetic acidnatural abundance3.1 M
11H2O80 %

Protein Blocks Logo
Calculated from 15 models in PDB: 2JUU, Strand ID: A, B Detail


Release date
2008-06-24
Citation
The A-chain of insulin contacts the insert domain of the insulin receptor. Photo-cross-linking and mutagenesis of a diabetes-related crevice
Huang, K., Chan, S., Hua, Q., Chu, Y., Wang, R., Klaproth, B., Jia, W., Whittaker, J., De Meyts, P., Nakagawa, S.H., Steiner, D.F., Katsoyannis, P.G., Weiss, M.A.
J. Biol. Chem. (2007), 282, 35337-35349, PubMed 17884811 , DOI 10.1074/jbc.M705996200 ,
Entries sharing articles BMRB: 2 entries Detail
  BMRB: 15450 released on 2008-06-25
    Title ThrA3-DKP-insulin
  BMRB: 15455 released on 2008-06-24
    Title AbaA3-DKP-insulin
Related entities 1. allo-Thr A chain, : 118 : 83 entities Detail
Related entities 2. B chain, : 1 : 10 : 112 : 75 entities Detail
Interaction partners 1. allo-Thr A chain, : 4 : 1 interactors Detail
Interaction partners 2. B chain, : 6 : 1 interactors Detail
Experiments performed 15 experiments Detail
Keywords allo-ThrA3, Insulin, NMR