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BMRB: 15454

2JUU

allo-ThrA3 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

ALOA3-DKP-insulin

Entity

1. allo-Thr A chain (polymer, Thiol state: all disulfide bound), 21 monomers, 2385.669 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

5793.537 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: 84.1 %, Completeness (bb): 83.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	84.1 % (248 of 295)	84.1 % (248 of 295)
Backbone	83.5 % (86 of 103)	83.5 % (86 of 103)
Sidechain	84.4 % (162 of 192)	84.4 % (162 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. allo-Thr 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	allo-ThrA3 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	allo-ThrA3-DKP-insulin	natural abundance		1 mM
5	D2O			100 %

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	allo-ThrA3 DKP-insulin	natural abundance	1 mM
7	D-acetic acid	natural abundance	3.1 M
8	H2O		80 %

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	ThrA3-DKP-insulin	natural abundance	1 mM
10	D-acetic acid	natural abundance	3.1 M
11	H2O		80 %

Protein Blocks Logo

Calculated from 15 models in PDB: 2JUU, 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

Entries sharing articles BMRB: 2 entries Detail

  BMRB: 15450 released on 2008-06-25
    Title ThrA3-DKP-insulin
  BMRB: 15455 released on 2008-06-24
    Title AbaA3-DKP-insulin

Related entities 1. allo-Thr A chain, : 119 : 102 entities Detail

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

Interaction partners 1. allo-Thr 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 DQF-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	allo-ThrA3 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	allo-ThrA3 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	allo-ThrA3 DKP-insulin	natural abundance	1 mM
2	H2O		90 %
3	D2O		10 %

4 2D DQF-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	allo-ThrA3-DKP-insulin	natural abundance		1 mM
5	D2O			100 %

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	allo-ThrA3-DKP-insulin	natural abundance		1 mM
5	D2O			100 %

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	allo-ThrA3-DKP-insulin	natural abundance		1 mM
5	D2O			100 %

7 2D DQF-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	allo-ThrA3 DKP-insulin	natural abundance	1 mM
7	D-acetic acid	natural abundance	3.1 M
8	H2O		80 %

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	allo-ThrA3 DKP-insulin	natural abundance	1 mM
7	D-acetic acid	natural abundance	3.1 M
8	H2O		80 %

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	allo-ThrA3 DKP-insulin	natural abundance	1 mM
7	D-acetic acid	natural abundance	3.1 M
8	H2O		80 %

10 2D DQF-COSY