BMRB: 6204

1H chemical shift assignments for AlaB12-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. AlaB12-DKP-insulin, chain A (polymer, Thiol state: all disulfide bound), 21 monomers, 2383.696 Da Detail

GIVEQCCTSI CSLYQLENYC N

2. AlaB12-DKP-insulin, chain B (polymer, Thiol state: all disulfide bound), 30 monomers, 3379.815 Da Detail

FVNQHLCGSD LAEALYLVCG ERGFFYTKPT

Total weight

5763.5107 Da

Max. entity weight

3379.815 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: 40.6 %, Completeness (bb): 41.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	40.6 % (121 of 298)	40.6 % (121 of 298)
Backbone	41.0 % (43 of 105)	41.0 % (43 of 105)
Sidechain	40.4 % (78 of 193)	40.4 % (78 of 193)
Aromatic	24.2 % (8 of 33)	24.2 % (8 of 33)
Methyl	40.7 % (11 of 27)	40.7 % (11 of 27)

1. AlaB12-DKP-insulin, chain A

GIVEQCCTSI CSLYQLENYC N

2. AlaB12-DKP-insulin, chain B

FVNQHLCGSD LAEALYLVCG ERGFFYTKPT

Show sample condition

Sample #1

Pressure 1 atm, Temperature 298 (±1) K, pH 1.9 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	AlaB12-DKP-insulin, chain A			1.2 mM
2	AlaB12-DKP-insulin, chain B			1.2 mM
3	H2O			90 %
4	D2O			10 %

Sample #2

Pressure 1 atm, Temperature 298 (±1) K, pH 1.9 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	AlaB12-DKP-insulin, chain A			1.2 mM
6	AlaB12-DKP-insulin, chain B			1.2 mM
7	D2O			100 %

Sample #3

Pressure 1 atm, Temperature 298 (±1) K, pH 1.9 (±0.1)

#	Name	Isotope labeling	Type	Concentration
8	AlaB12-DKP-insulin, chain A			1.2 mM
9	AlaB12-DKP-insulin, chain B			1.2 mM
10	D2O			80 %
11	deuterated acetic acid			20 %

Hide sample codition

Chem. Shift Complete2

Sequence coverage: 45.1 %, Completeness: 41.3 %, Completeness (bb): 41.9 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	41.3 % (246 of 596)	41.3 % (246 of 596)
Backbone	41.9 % (88 of 210)	41.9 % (88 of 210)
Sidechain	40.9 % (158 of 386)	40.9 % (158 of 386)
Aromatic	24.2 % (16 of 66)	24.2 % (16 of 66)
Methyl	48.1 % (26 of 54)	48.1 % (26 of 54)

1. AlaB12-DKP-insulin, chain A

GIVEQCCTSI CSLYQLENYC N

2. AlaB12-DKP-insulin, chain B

FVNQHLCGSD LAEALYLVCG ERGFFYTKPT

Show sample condition

Sample #1

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

#	Name	Isotope labeling	Type	Concentration
1	AlaB12-DKP-insulin, chain A			1.2 mM
2	AlaB12-DKP-insulin, chain B			1.2 mM
3	H2O			90 %
4	D2O			10 %

Sample #2

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

#	Name	Isotope labeling	Type	Concentration
5	AlaB12-DKP-insulin, chain A			1.2 mM
6	AlaB12-DKP-insulin, chain B			1.2 mM
7	D2O			100 %

Sample #3

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

#	Name	Isotope labeling	Type	Concentration
8	AlaB12-DKP-insulin, chain A			1.2 mM
9	AlaB12-DKP-insulin, chain B			1.2 mM
10	D2O			80 %
11	deuterated acetic acid			20 %

Hide sample codition

Chem. Shift Complete3

Sequence coverage: 62.7 %, Completeness: 46.3 %, Completeness (bb): 48.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	46.3 % (414 of 894)	46.3 % (414 of 894)
Backbone	48.3 % (152 of 315)	48.3 % (152 of 315)
Sidechain	45.3 % (262 of 579)	45.3 % (262 of 579)
Aromatic	36.4 % (36 of 99)	36.4 % (36 of 99)
Methyl	51.9 % (42 of 81)	51.9 % (42 of 81)

1. AlaB12-DKP-insulin, chain A

GIVEQCCTSI CSLYQLENYC N

2. AlaB12-DKP-insulin, chain B

FVNQHLCGSD LAEALYLVCG ERGFFYTKPT

Show sample condition

Sample #1

Pressure 1 atm, Temperature 298 (±1) K, pH 1.9 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	AlaB12-DKP-insulin, chain A			1.2 mM
2	AlaB12-DKP-insulin, chain B			1.2 mM
3	H2O			90 %
4	D2O			10 %

Sample #2

Pressure 1 atm, Temperature 298 (±1) K, pH 1.9 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	AlaB12-DKP-insulin, chain A			1.2 mM
6	AlaB12-DKP-insulin, chain B			1.2 mM
7	D2O			100 %

Sample #3

Pressure 1 atm, Temperature 298 (±1) K, pH 1.9 (±0.1)

#	Name	Isotope labeling	Type	Concentration
8	AlaB12-DKP-insulin, chain A			1.2 mM
9	AlaB12-DKP-insulin, chain B			1.2 mM
10	D2O			80 %
11	deuterated acetic acid			20 %

Hide sample codition

Chem. Shift Complete4

Sequence coverage: 62.7 %, Completeness: 48.7 %, Completeness (bb): 51.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H
All	48.7 % (580 of 1192)	48.7 % (580 of 1192)
Backbone	51.2 % (215 of 420)	51.2 % (215 of 420)
Sidechain	47.3 % (365 of 772)	47.3 % (365 of 772)
Aromatic	43.2 % (57 of 132)	43.2 % (57 of 132)
Methyl	53.7 % (58 of 108)	53.7 % (58 of 108)

1. AlaB12-DKP-insulin, chain A

GIVEQCCTSI CSLYQLENYC N

2. AlaB12-DKP-insulin, chain B

FVNQHLCGSD LAEALYLVCG ERGFFYTKPT

Show sample condition

Sample #1

Pressure 1 atm, Temperature 305 (±1) K, pH 7.6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	AlaB12-DKP-insulin, chain A			1.2 mM
2	AlaB12-DKP-insulin, chain B			1.2 mM
3	H2O			90 %
4	D2O			10 %

Sample #2

Pressure 1 atm, Temperature 305 (±1) K, pH 7.6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
5	AlaB12-DKP-insulin, chain A			1.2 mM
6	AlaB12-DKP-insulin, chain B			1.2 mM
7	D2O			100 %

Sample #3

Pressure 1 atm, Temperature 305 (±1) K, pH 7.6 (±0.1)

#	Name	Isotope labeling	Type	Concentration
8	AlaB12-DKP-insulin, chain A			1.2 mM
9	AlaB12-DKP-insulin, chain B			1.2 mM
10	D2O			80 %
11	deuterated acetic acid			20 %

Hide sample codition

Protein Blocks Logo

Calculated from 15 models in PDB: 1T1K, 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
Qu, Y., Li, B., Huang, K., Xu, B., Hu, S.Q., Chu, Y.C., Hua, Q.X., 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. AlaB12-DKP-insulin, chain A, : 112 : 13 : 7 : 90 entities Detail

Related entities 2. AlaB12-DKP-insulin, chain B, : 1 : 117 : 100 entities Detail

Interaction partners 1. AlaB12-DKP-insulin, chain A, : 1 : 1 interactors Detail

Interaction partners 2. AlaB12-DKP-insulin, chain B, : 6 : 1 interactors Detail

Experiments performed 3 experiments Detail