BMRB: 18925

Structure of [D-HisB24] insulin analogue at pH 8.0

Authors

Zakova, L., Veverka, V., Jiracek, J.

Assembly

chain A

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), 30 monomers, 3419.884 Da Detail

FVNQHLCGSH LVEALYLVCG ERGHFYTPKT

Total weight

5803.58 Da

Max. entity weight

3419.884 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

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.2 %, Completeness: 85.3 %, Completeness (bb): 72.4 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	85.3 % (255 of 299)	85.3 % (255 of 299)
Backbone	72.4 % (76 of 105)	72.4 % (76 of 105)
Sidechain	92.3 % (179 of 194)	92.3 % (179 of 194)
Aromatic	93.8 % (30 of 32)	93.8 % (30 of 32)
Methyl	100.0 % (28 of 28)	100.0 % (28 of 28)

1. chain A

GIVEQCCTSI CSLYQLENYC N

2. chain B

FVNQHLCGSH LVEALYLVCG ERGHFYTPKT

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 8.0

#	Name	Isotope labeling	Type	Concentration
1	chain_A	natural abundance		0.250 mM
2	chain_B	natural abundance		0.250 mM
3	TRIS	[U-2H]		25 mM
4	H2O	natural abundance		95 %
5	D2O	natural abundance		5 %

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Calculated from 30 models in PDB: 2M2P, Strand ID: A, B Detail

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Release date

2013-02-28

Citation

Structural integrity of the B24 site in human insulin is important for hormone functionality
Zakova, L., Kletvikova, E., Veverka, V., Lepsik, M., Watson, C.J., Turkenburg, J.P., Jiracek, J., Brzozowski, A.M.
J. Biol. Chem. (2013), 288, 10230-10240, PubMed 23447530 , DOI 10.1074/jbc.M112.448050 , Abstract

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

Related entities 2. chain B, : 1 : 3 : 123 : 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