BMRB: 6205

1H chemical shift assignments for AbaB12-DKP-insulin

Authors

Huang, K., Xu, B., Hu, S.Q., Chu, Y.C., Hua, Q.X., Whittaker, J., Nakagawa, S.H., DeMeyts, P., Katsoyannis, P.G., Weiss, M.A.

Assembly

insulin analogue

Entity

1. AbaB12-DKP-insulin, chain A (polymer, Thiol state: all disulfide bound), 21 monomers, 2383.696 Da Detail

GIVEQCCTSI CSLYQLENYC N

2. AbaB12-DKP-insulin, chain B (polymer, Thiol state: all disulfide bound), 30 monomers, 3393.842 Da Detail

FVNQHLCGSD LXEALYLVCG ERGFFYTKPT

Total weight

5777.538 Da

Max. entity weight

3393.842 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

NMR

Refine. method

DISTANCE GEOMETRY AND SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 45.1 %, Completeness: 42.7 %, Completeness (bb): 43.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	42.7 % (126 of 295)	42.7 % (126 of 295)
Backbone	43.7 % (45 of 103)	43.7 % (45 of 103)
Sidechain	42.2 % (81 of 192)	42.2 % (81 of 192)
Aromatic	24.2 % (8 of 33)	24.2 % (8 of 33)
Methyl	46.2 % (12 of 26)	46.2 % (12 of 26)

1. AbaB12-DKP-insulin, chain A

GIVEQCCTSI CSLYQLENYC N

2. AbaB12-DKP-insulin, chain B

FVNQHLCGSD LXEALYLVCG ERGFFYTKPT

Show sample condition

Sample

Pressure 1 atm, Temperature 298 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	AbaB12-DKP-insulin, chain A			1.2 mM
2	AbaB12-DKP-insulin, chain B			1.2 mM
3	H2O			90 %
4	D2O			10 %

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Chem. Shift Complete2

Sequence coverage: 56.9 %, Completeness: 48.1 %, Completeness (bb): 49.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	48.1 % (284 of 590)	48.1 % (284 of 590)
Backbone	49.0 % (101 of 206)	49.0 % (101 of 206)
Sidechain	47.7 % (183 of 384)	47.7 % (183 of 384)
Aromatic	43.9 % (29 of 66)	43.9 % (29 of 66)
Methyl	51.9 % (27 of 52)	51.9 % (27 of 52)

1. AbaB12-DKP-insulin, chain A

GIVEQCCTSI CSLYQLENYC N

2. AbaB12-DKP-insulin, chain B

FVNQHLCGSD LXEALYLVCG ERGFFYTKPT

Show sample condition

Sample

Pressure 1 atm, Temperature 298 (±1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	AbaB12-DKP-insulin, chain A			1.2 mM
2	AbaB12-DKP-insulin, chain B			1.2 mM
3	H2O			90 %
4	D2O			10 %

Hide sample codition

Protein Blocks Logo

Calculated from 15 models in PDB: 1T1Q, Strand ID: A, B Detail

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Release date

2004-05-09

Citation

How Insulin Binds: the B-Chain alpha-Helix Contacts the L1 beta -Helix of the Insulin Receptor
Huang, K., Xu, B., Hu, S.Q., Chu, Y.C., Hua, Q.X., Qu, Y., Li, B., Wang, S., Wang, R.Y., Nakagawa, S.H., Theede, A.M., Whittaker, J., De Meyts, P., Katsoyannis, P.G., Weiss, M.A.
J. Mol. Biol. (2004), 341, 529-550

Related entities 1. AbaB12-DKP-insulin, chain A, : 112 : 13 : 7 : 90 entities Detail

Related entities 2. AbaB12-DKP-insulin, chain B, : 1 : 117 : 97 entities Detail

Interaction partners 1. AbaB12-DKP-insulin, chain A, : 1 : 1 interactors Detail

Interaction partners 2. AbaB12-DKP-insulin, chain B, : 6 : 1 interactors Detail

Experiments performed 3 experiments Detail