BMRB: 6203

1H chemical shift assignments for ThrB12-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. ThrB12-DKP-insulin, chain A (polymer, Thiol state: all disulfide bound), 21 monomers, 2383.696 Da Detail

GIVEQCCTSI CSLYQLENYC N

2. ThrB12-DKP-insulin, chain B (polymer, Thiol state: all disulfide bound), 30 monomers, 3409.841 Da Detail

FVNQHLCGSD LTEALYLVCG ERGFFYTKPT

Total weight

5793.537 Da

Max. entity weight

3409.841 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: 43.1 %, Completeness: 37.1 %, Completeness (bb): 37.1 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	37.1 % (111 of 299)	37.1 % (111 of 299)
Backbone	37.1 % (39 of 105)	37.1 % (39 of 105)
Sidechain	37.1 % (72 of 194)	37.1 % (72 of 194)
Aromatic	24.2 % (8 of 33)	24.2 % (8 of 33)
Methyl	40.7 % (11 of 27)	40.7 % (11 of 27)

1. ThrB12-DKP-insulin, chain A

GIVEQCCTSI CSLYQLENYC N

2. ThrB12-DKP-insulin, chain B

FVNQHLCGSD LTEALYLVCG ERGFFYTKPT

Show sample condition

Sample

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

#	Name	Isotope labeling	Type	Concentration
1	ThrB12-DKP-insulin, chain A			1.2 mM
2	ThrB12-DKP-insulin, chain B			1.2 mM
3	H2O			90 %
4	D2O			10 %

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Chem. Shift Complete2

Sequence coverage: 60.8 %, Completeness: 46.5 %, Completeness (bb): 46.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	46.5 % (278 of 598)	46.5 % (278 of 598)
Backbone	46.2 % (97 of 210)	46.2 % (97 of 210)
Sidechain	46.6 % (181 of 388)	46.6 % (181 of 388)
Aromatic	43.9 % (29 of 66)	43.9 % (29 of 66)
Methyl	50.0 % (27 of 54)	50.0 % (27 of 54)

1. ThrB12-DKP-insulin, chain A

GIVEQCCTSI CSLYQLENYC N

2. ThrB12-DKP-insulin, chain B

FVNQHLCGSD LTEALYLVCG ERGFFYTKPT

Show sample condition

Sample

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

#	Name	Isotope labeling	Type	Concentration
1	ThrB12-DKP-insulin, chain A			1.2 mM
2	ThrB12-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: 1T1P, 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. ThrB12-DKP-insulin, chain A, : 112 : 13 : 7 : 90 entities Detail

Related entities 2. ThrB12-DKP-insulin, chain B, : 1 : 117 : 97 entities Detail

Interaction partners 1. ThrB12-DKP-insulin, chain A, : 1 : 1 interactors Detail

Interaction partners 2. ThrB12-DKP-insulin, chain B, : 6 : 1 interactors Detail

Experiments performed 3 experiments Detail