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NMR STRUCTURE OF HUMAN INSULIN MONOMER IN 35% CD3CN ZINC FREE, 50 STRUCTURES
Authors
Bocian, W., Kozerski, L.
Assembly
Human Insulin Monomer
Entity
1. chain A (polymer, Thiol state: all disulfide bound), 21 monomers, 2383.696 Da Detail

GIVEQCCTSI CSLYQLENYC N


2. chain B (polymer, Thiol state: all disulfide bound), 30 monomers, 3429.919 Da Detail

FVNQHLCGSH LVEALYLVCG ERGFFYTPKT


Total weight
5813.615 Da
Max. entity weight
3429.919 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

Source organism
Homo sapiens
Exptl. method
SOLUTION NMR
Refine. method
simulated annealing, molecular dynamics
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 93.0 %, Completeness (bb): 98.0 % Detail

Polymer type: polypeptide(L)

Total1H
All93.0 % (281 of 302)93.0 % (281 of 302)
Backbone98.0 % (99 of 101)98.0 % (99 of 101)
Sidechain90.5 % (182 of 201)90.5 % (182 of 201)
Aromatic51.4 % (18 of 35)51.4 % (18 of 35)
Methyl100.0 % (28 of 28)100.0 % (28 of 28)

1. chain A

GIVEQCCTSI CSLYQLENYC N

2. chain B

FVNQHLCGSH LVEALYLVCG ERGFFYTPKT

Sample

Solvent system 35% CD3CN/ 65%H2O, Pressure 1 atm, Temperature 303 K, pH 3.6


#NameIsotope labelingTypeConcentration
1entity_1natural abundance2.0 mM
2entity_2natural abundance2.0 mM
3CD3CNnatural abundance35 %
4H2Onatural abundance65 %

Protein Blocks Logo
Calculated from 50 models in PDB: 2JV1, Strand ID: A, B Detail


Release date
2008-06-24
Citation
Structure of human insulin monomer in water/acetonitrile solution
Bocian, W., Sitkowski, J., Bednarek, E., Tarnowska, A., Kawecki, R., Kozerski, L.
J. Biomol. NMR (2008), 40, 55-64, PubMed 18040865 , DOI 10.1007/s10858-007-9206-2 ,
Related entities 1. chain A, : 1 : 110 : 9 : 7 : 74 entities Detail
Related entities 2. chain B, : 1 : 107 : 4 : 18 : 71 entities Detail
Interaction partners 1. chain A, : 1 : 1 interactors Detail
Interaction partners 2. chain B, : 6 : 1 interactors Detail
Experiments performed 2 experiments Detail
Keywords 35% CD3CN, Human Insulin, Monomer, NMR