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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

IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing1:CYS6:SG1:CYS11:SG
2disulfidesing1:CYS7:SG2:CYS7:SG
3disulfidesing1:CYS20:SG2: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: 92.6 %, Completeness (bb): 97.2 % Detail

Polymer type: polypeptide(L)

Total1H
All92.6 % (300 of 324)92.6 % (300 of 324)
Backbone97.2 % (104 of 107)97.2 % (104 of 107)
Sidechain90.3 % (196 of 217)90.3 % (196 of 217)
Aromatic88.6 % (31 of 35)88.6 % (31 of 35)
Methyl96.4 % (27 of 28)96.4 % (27 of 28)

1. entity, chain 1

GIVEQCCTSI CSLYQLENYC NG

2. entity, chain 2

FVNQHLCGSH LVEALYLVCG ERGFFYTPKT KR

Sample #1

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


#NameIsotope labelingTypeConcentration
1entity_1natural abundance2.5 mM
2entity_2natural abundance2.5 mM
3H20natural abundance65 %
4CD3CNnatural abundance35 %
Sample #2

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


#NameIsotope labelingTypeConcentration
5entity_1natural abundance2.5 mM
6entity_2natural abundance2.5 mM
7H20natural abundance65 %
8CD3CNnatural abundance35 %

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


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 ,
Related entities 1. Human Insulin Mutant A22Gly-B31Lys-B32Arg, entity, chain 1, : 1 : 1 : 116 : 83 entities Detail
Related entities 2. Human Insulin Mutant A22Gly-B31Lys-B32Arg, entity, chain 2, : 1 : 2 : 13 : 104 : 77 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
Keywords Human Insulin, Mutant, NMR, water/acetonitrile solution