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Biosynthetic engineered B28K-B29P human insulin monomer structure in in water solutions.
Authors
Bocian, W., Kozerski, L.
Assembly
Biosynthetic engineered B28K-B29P human insulin monomer
Entity
1. Biosynthetic engineered B28K-B29P human insulin monomer, entity 1 (polymer, Thiol state: all disulfide bound), 21 monomers, 2383.696 Da Detail

GIVEQCCTSI CSLYQLENYC N


2. Biosynthetic engineered B28K-B29P human insulin monomer, entity 2 (polymer, Thiol state: all disulfide bound), 30 monomers, 3429.919 Da Detail

FVNQHLCGSH LVEALYLVCG ERGFFYTKPT


Total weight
5813.615 Da
Max. entity weight
3429.919 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Refine. method
torsion angle dynamics, DGSA-distance geometry simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 96.1 %, Completeness: 87.7 %, Completeness (bb): 90.5 % Detail

Polymer type: polypeptide(L)

Total1H
All87.7 % (265 of 302)87.7 % (265 of 302)
Backbone90.5 % (95 of 105)90.5 % (95 of 105)
Sidechain86.3 % (170 of 197)86.3 % (170 of 197)
Aromatic82.9 % (29 of 35)82.9 % (29 of 35)
Methyl100.0 % (28 of 28)100.0 % (28 of 28)

1. entity 1

GIVEQCCTSI CSLYQLENYC N

2. entity 2

FVNQHLCGSH LVEALYLVCG ERGFFYTKPT

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 2.5


#NameIsotope labelingTypeConcentration
1entity_1natural abundance2.5 - 3.0 mM
2entity_2natural abundance2.5 - 3.0 mM
Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 2.5


#NameIsotope labelingTypeConcentration
3entity_1natural abundance2.5 - 3.0 mM
4entity_2natural abundance2.5 - 3.0 mM

Protein Blocks Logo
Calculated from 20 models in PDB: 2M1E, Strand ID: A, B Detail


Release date
2013-02-20
Citation
Biosynthetic engineered B28(K)-B29(P) human insulin monomer structure in water and in water/acetonitrile solutions
Borowicz, P., Bocian, W., Sitkowski, J., Bednarek, E., Mikiewicz-Sygua, D., Kurzynoga, D., Stadnik, D., Surmacz-Chwedoruk, W., Komiski, W., Kozerski, L.
J. Biomol. NMR (2013), 55, 303-309, PubMed 23404086 , DOI 10.1007/s10858-013-9713-2 ,
Related entities 1. Biosynthetic engineered B28K-B29P human insulin monomer, entity 1, : 1 : 111 : 13 : 7 : 90 entities Detail
Related entities 2. Biosynthetic engineered B28K-B29P human insulin monomer, entity 2, : 1 : 5 : 126 : 87 entities Detail
Interaction partners 1. Biosynthetic engineered B28K-B29P human insulin monomer, entity 1, : 1 : 1 interactors Detail
Interaction partners 2. Biosynthetic engineered B28K-B29P human insulin monomer, entity 2, : 6 : 1 interactors Detail
Experiments performed 4 experiments Detail
NMR combined restraints 4 contents Detail
Keywords Hormone, Human Insulin, mutant, water solution