BMRB: 18858

Biosynthetic engineered B28K-B29P human insulin monomer structure in in water/acetonitrile 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: 100.0 %, Completeness: 95.4 %, Completeness (bb): 98.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	95.4 % (288 of 302)	95.4 % (288 of 302)
Backbone	98.1 % (103 of 105)	98.1 % (103 of 105)
Sidechain	93.9 % (185 of 197)	93.9 % (185 of 197)
Aromatic	88.6 % (31 of 35)	88.6 % (31 of 35)
Methyl	96.4 % (27 of 28)	96.4 % (27 of 28)

1. entity 1

GIVEQCCTSI CSLYQLENYC N

2. entity 2

FVNQHLCGSH LVEALYLVCG ERGFFYTKPT

Show sample condition

Sample #1

Solvent system H2O / CD3CN, Pressure 1 atm, Temperature 298 K, pH 2.5, Details 73% H2O / 27% CD3CN

#	Name	Isotope labeling	Type	Concentration
1	entity_1	natural abundance		2.5 - 3.0 mM
2	entity_2	natural abundance		2.5 - 3.0 mM
3	H2O	natural abundance		73 %
4	CD3CN	natural abundance		27 %

Sample #2

Solvent system D2O / CD3CN, Pressure 1 atm, Temperature 298 K, pH 2.5, Details 73% D2O / 27% CD3CN

#	Name	Isotope labeling	Type	Concentration
5	entity_1	natural abundance		2.5 - 3.0 mM
6	entity_2	natural abundance		2.5 - 3.0 mM
7	D2O	natural abundance		73 %
8	CD3CN	natural abundance		27 %

Hide sample codition

Protein Blocks Logo

Calculated from 20 models in PDB: 2M1D, Strand ID: A, B Detail

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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 , Abstract

Entries sharing articles BMRB: 1 entries Detail

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