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Humal Insulin Mutant B31Lys -B32Arg
Authors
Bocian, W., Kozerski, L.
Assembly
Lysarg
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), 32 monomers, 3714.277 Da Detail

FVNQHLCGSH LVEALYLVCG ERGFFYTPKT KR


Total weight
6097.973 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

Exptl. method
SOLUTION NMR
Refine. method
simulated annealing, molecular dynamics
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 90.7 %, Completeness (bb): 96.2 % Detail

Polymer type: polypeptide(L)

Total1H
All90.7 % (291 of 321)90.7 % (291 of 321)
Backbone96.2 % (101 of 105)96.2 % (101 of 105)
Sidechain88.0 % (190 of 216)88.0 % (190 of 216)
Aromatic57.1 % (20 of 35)57.1 % (20 of 35)
Methyl100.0 % (28 of 28)100.0 % (28 of 28)

1. Chain A

GIVEQCCTSI CSLYQLENYC N

2. Chain B

FVNQHLCGSH LVEALYLVCG ERGFFYTPKT KR

Sample #1

Solvent system 35% CD3CN/65% D2O, Pressure 1 atm, Temperature 300 K, pH 3.6


#NameIsotope labelingTypeConcentration
1Chain Anatural abundanceprotein2.0 mM
2Chain Bnatural abundanceprotein2.0 mM
3CD3CNsolvent35 %
4D2Osolvent65 %
Sample #2

Solvent system 35% CD3CN/65% H2O, Pressure 1 atm, Temperature 300 K, pH 3.6


#NameIsotope labelingTypeConcentration
5Chain Anatural abundanceprotein2.0 mM
6Chain Bnatural abundanceprotein2.0 mM
7CD3CNsolvent35 %
8H2Osolvent65 %

Protein Blocks Logo
Calculated from 50 models in PDB: 2RN5, Strand ID: A, B Detail


Release date
2008-06-26
Citation
NMR structure of biosynthetic engineered human insulin monomer B31(Lys)-B32(Arg) in water/acetonitrile solution. Comparison with the solution structure of native human insulin monomer
Bocian, W., Borowicz, P., Mikolajczyk, J., Sitkowski, J., Tarnowska, A., Bednarek, E., Glabski, T., Tejchman-Malecka, B., Bogiel, M., Kozerski, L.
Biopolymers (2008), 89, 820-830, PubMed 18491415 , DOI 10.1002/bip.21018 ,
Related entities 1. Chain A, : 1 : 110 : 9 : 7 : 74 entities Detail
Related entities 2. Chain B, : 1 : 2 : 13 : 104 : 77 entities Detail
Interaction partners 1. Chain A, : 1 : 1 interactors Detail
Interaction partners 2. Chain B, : 6 : 1 interactors Detail
Experiments performed 3 experiments Detail
Keywords 35% CD3CN, Human Insulin mutant, Monomer, NMR