BMRB: 16915

Human Insulin Mutant A22Gly-B31Lys-B32Arg

Authors

Bocian, W., Kozerski, L.

Assembly

Human Insulin Mutant A22Gly-B31Lys-B32Arg

Entity

1. Human Insulin Mutant A22Gly-B31Lys-B32Arg, entity, chain 1 (polymer, Thiol state: all disulfide bound), 22 monomers, 2440.748 Da Detail

GIVEQCCTSI CSLYQLENYC NG

2. Human Insulin Mutant A22Gly-B31Lys-B32Arg, entity, chain 2 (polymer, Thiol state: all disulfide bound), 32 monomers, 3714.277 Da Detail

FVNQHLCGSH LVEALYLVCG ERGFFYTPKT KR

Total weight

6155.0254 Da

Max. entity weight

3714.277 Da

Entity Connection

disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS6:SG	1:CYS11:SG
2	disulfide	sing	1:CYS7:SG	2:CYS7:SG
3	disulfide	sing	1:CYS20:SG	2:CYS19:SG

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 91.7 %, Completeness (bb): 95.5 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	91.7 % (297 of 324)	91.7 % (297 of 324)
Backbone	95.5 % (107 of 112)	95.5 % (107 of 112)
Sidechain	89.6 % (190 of 212)	89.6 % (190 of 212)
Aromatic	88.6 % (31 of 35)	88.6 % (31 of 35)
Methyl	96.4 % (27 of 28)	96.4 % (27 of 28)

1. entity, chain 1

GIVEQCCTSI CSLYQLENYC NG

2. entity, chain 2

FVNQHLCGSH LVEALYLVCG ERGFFYTPKT KR

Show sample condition

Sample #1

Solvent system 65% H2O / 35% CD3CN, Pressure 1 atm, Temperature 298 K, pH 3.5

#	Name	Isotope labeling	Type	Concentration
1	entity_1	natural abundance		2.5 mM
2	entity_2	natural abundance		2.5 mM
3	H20	natural abundance		65 %
4	CD3CN	natural abundance		35 %

Sample #2

Solvent system 65% D2O / 35% CD3CN, Pressure 1 atm, Temperature 298 K, pH 3.5

#	Name	Isotope labeling	Type	Concentration
5	entity_1	natural abundance		2.5 mM
6	entity_2	natural abundance		2.5 mM
7	H20	natural abundance		65 %
8	CD3CN	natural abundance		35 %

Hide sample codition

Protein Blocks Logo

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

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Release date

2011-06-29

Citation

Novel recombinant insulin analogue with flexible C-terminus in B chain. NMR structure of biosynthetic engineered A22G-B31K-B32R human insulin monomer in water/acetonitrile solution
Borowicz, P., Bocian, W., Sitkowski, J., Bednarek, E., Mikiewicz-Sygua, D., Baej-Sosnowska, S., Bogiel, M., Rusek, D., Kurzynoga, D., Kozerski, L.
Int. J. Biol. Macromol. (2011), 49, 548-554, PubMed 21704065 , DOI 10.1016/j.ijbiomac.2011.06.008 , Abstract

Related entities 1. Human Insulin Mutant A22Gly-B31Lys-B32Arg, entity, chain 1, : 1 : 1 : 117 : 102 entities Detail

Related entities 2. Human Insulin Mutant A22Gly-B31Lys-B32Arg, entity, chain 2, : 1 : 2 : 30 : 88 : 91 entities Detail

Interaction partners 1. Human Insulin Mutant A22Gly-B31Lys-B32Arg, entity, chain 1, : 1 : 1 interactors Detail

Interaction partners 2. Human Insulin Mutant A22Gly-B31Lys-B32Arg, entity, chain 2, : 6 : 1 interactors Detail

Experiments performed 3 experiments Detail