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BMRB: 15455

2JUV

AbaA3-DKP-insulin

Authors

Huang, K., Chan, S., Hua, Q., Chu, Y., Wang, R., Klaproth, B., Jia, W., Whittaker, J., De Meyts, P., Nakagawa, S.H., Steiner, D.F., Katsoyannis, P.G., Weiss, M.A.

Assembly

AbaA3-DKP-insulin

Entity

1. A chain (polymer, Thiol state: all disulfide bound), 21 monomers, 2369.670 Da Detail

GIXEQCCTSI CSLYQLENYC N

2. B chain (polymer, Thiol state: all disulfide bound), 30 monomers, 3407.868 Da Detail

FVNQHLCGSD LVEALYLVCG ERGFFYTKPT

Total weight

5777.538 Da

Max. entity weight

3407.868 Da

Entity Connection

disulfide 3 Detail

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

DGSA-distance geometry, simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.1 %, Completeness: 83.1 %, Completeness (bb): 83.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	83.1 % (245 of 295)	83.1 % (245 of 295)
Backbone	83.5 % (86 of 103)	83.5 % (86 of 103)
Sidechain	82.8 % (159 of 192)	82.8 % (159 of 192)
Aromatic	75.8 % (25 of 33)	75.8 % (25 of 33)
Methyl	100.0 % (26 of 26)	100.0 % (26 of 26)

1. A chain

GIXEQCCTSI CSLYQLENYC N

2. B chain

FVNQHLCGSD LVEALYLVCG ERGFFYTKPT

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7

#	Name	Isotope labeling	Concentration
1	AbaA3-DKP-insulin	natural abundance	1 mM
2	H2O		90 %
3	D2O		10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, pH 7, Details pD 6.6 25 degree

#	Name	Isotope labeling	Type	Concentration
4	AbaA3-DKP-insulin	natural abundance		1 mM
5	D2O			10 %

Sample #3

Solvent system 20% D-acetic acid/80% H2O, Pressure 1 atm, Temperature 308 K, pH 7, Details pH 1.9, 25 degree

#	Name	Isotope labeling	Concentration
6	AbaA3-DKP-insulin	natural abundance	1 mM
7	H2O		80 %
8	D-acetic acid		20 %

Sample #4

Solvent system 20%D-acetic acid/80% D2O, Pressure 1 atm, Temperature 308 K, pH 7, Details pD 1.9, 25 degree

#	Name	Isotope labeling	Concentration
9	AbaA3-DKP-insulin	natural abundance	1 mM
10	D2O		80 %
11	D-acetic acid		20 %

Protein Blocks Logo

Calculated from 15 models in PDB: 2JUV, Strand ID: A, B Detail

Release date

2008-06-24

Citation

The A-chain of insulin contacts the insert domain of the insulin receptor. Photo-cross-linking and mutagenesis of a diabetes-related crevice
Huang, K., Chan, S., Hua, Q., Chu, Y., Wang, R., Klaproth, B., Jia, W., Whittaker, J., De Meyts, P., Nakagawa, S.H., Steiner, D.F., Katsoyannis, P.G., Weiss, M.A.
J. Biol. Chem. (2007), 282, 35337-35349, PubMed 17884811 , DOI 10.1074/jbc.M705996200 , Abstract

Related entities 1. A chain, : 119 : 102 entities Detail

Related entities 2. B chain, : 1 : 10 : 1 : 115 : 92 entities Detail

Interaction partners 1. A chain, : 4 : 1 interactors Detail

More details for 5 interactors identified by 5 citations

Interaction partners 2. B chain, : 6 : 1 interactors Detail

More details for 7 interactors identified by 7 citations

Experiments performed 15 experiments Detail

1 2D 1H-1H COSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7

#	Name	Isotope labeling	Concentration
1	AbaA3-DKP-insulin	natural abundance	1 mM
2	H2O		90 %
3	D2O		10 %

2 2D 1H-1H TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7

#	Name	Isotope labeling	Concentration
1	AbaA3-DKP-insulin	natural abundance	1 mM
2	H2O		90 %
3	D2O		10 %

3 2D 1H-1H NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 7

#	Name	Isotope labeling	Concentration
1	AbaA3-DKP-insulin	natural abundance	1 mM
2	H2O		90 %
3	D2O		10 %

4 2D 1H-1H COSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, Details pD 6.6 25 degree

#	Name	Isotope labeling	Type	Concentration
4	AbaA3-DKP-insulin	natural abundance		1 mM
5	D2O			10 %

5 2D 1H-1H TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, Details pD 6.6 25 degree

#	Name	Isotope labeling	Type	Concentration
4	AbaA3-DKP-insulin	natural abundance		1 mM
5	D2O			10 %

6 2D 1H-1H NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 308 K, Details pD 6.6 25 degree

#	Name	Isotope labeling	Type	Concentration
4	AbaA3-DKP-insulin	natural abundance		1 mM
5	D2O			10 %

7 2D 1H-1H COSY

Instrument

Bruker DMX - 800 MHz

Sample

State isotropic, Solvent system 20% D-acetic acid/80% H2O, Pressure 1 atm, Temperature 315 K, Details pH 1.9, 25 degree

#	Name	Isotope labeling	Concentration
6	AbaA3-DKP-insulin	natural abundance	1 mM
7	H2O		80 %
8	D-acetic acid		20 %

8 2D 1H-1H TOCSY

Instrument

Bruker DMX - 800 MHz

Sample

State isotropic, Solvent system 20% D-acetic acid/80% H2O, Pressure 1 atm, Temperature 315 K, Details pH 1.9, 25 degree

#	Name	Isotope labeling	Concentration
6	AbaA3-DKP-insulin	natural abundance	1 mM
7	H2O		80 %
8	D-acetic acid		20 %

9 2D 1H-1H NOESY

Instrument

Bruker DMX - 800 MHz

Sample

State isotropic, Solvent system 20% D-acetic acid/80% H2O, Pressure 1 atm, Temperature 315 K, Details pH 1.9, 25 degree

#	Name	Isotope labeling	Concentration
6	AbaA3-DKP-insulin	natural abundance	1 mM
7	H2O		80 %
8	D-acetic acid		20 %

10 2D DQF-COSY