BMRB: 11016

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

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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

Exptl. method

solution NMR

Refine. method

simulated annealing, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 94.4 %, Completeness (bb): 98.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	94.4 % (303 of 321)	94.4 % (303 of 321)
Backbone	98.2 % (107 of 109)	98.2 % (107 of 109)
Sidechain	92.5 % (196 of 212)	92.5 % (196 of 212)
Aromatic	57.1 % (20 of 35)	57.1 % (20 of 35)
Methyl	100.0 % (28 of 28)	100.0 % (28 of 28)

1. Chain A

GIVEQCCTSI CSLYQLENYC N

2. Chain B

FVNQHLCGSH LVEALYLVCG ERGFFYTPKT KR

Show sample condition

Sample #1

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

#	Name	Isotope labeling	Type	Concentration
1	Chain A	natural abundance	protein	2.0 mM
2	Chain B	natural abundance	protein	2.0 mM
3	CD3CN		solvent	35 %
4	D2O		solvent	65 %

Sample #2

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

#	Name	Isotope labeling	Type	Concentration
5	Chain A	natural abundance	protein	2.0 mM
6	Chain B	natural abundance	protein	2.0 mM
7	CD3CN		solvent	35 %
8	H2O		solvent	65 %

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Protein Blocks Logo

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

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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 , Abstract

Related entities 1. Chain A, : 1 : 111 : 13 : 7 : 90 entities Detail

Related entities 2. Chain B, : 1 : 2 : 30 : 88 : 91 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