BMRBj - BMREntryMaster

Found 1 Document (1.167 seconds)

BMRB: 19822

2MLI

NMR structure of B25-(alpha, beta)-dehydro-phenylalanine insulin

Authors

Yang, Y., Weiss, M.

Assembly

B25-(alpha, beta)-dehydro-phenylalanine insulin

Entity

1. B25-(alpha, beta)-dehydro-phenylalanine insulin, entity 1 (polymer), 21 monomers, 2383.696 Da Detail

GIVEQCCTSI CSLYQLENYC N

2. B25-(alpha, beta)-dehydro-phenylalanine insulin, entity 2 (polymer), 30 monomers, 3955.163 Da Detail

FVNQHLCGSD LVEALYLVCG ERGFXYTKPT

Total weight

6338.8594 Da

Max. entity weight

3955.163 Da

Source organism

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.0 %, Completeness: 81.9 %, Completeness (bb): 73.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	81.9 % (466 of 569)	94.5 % (275 of 291)	66.8 % (149 of 223)	76.4 % (42 of 55)
Backbone	73.2 % (218 of 298)	93.2 % (96 of 103)	58.9 % (86 of 146)	73.5 % (36 of 49)
Sidechain	91.2 % (289 of 317)	95.2 % (179 of 188)	84.6 % (104 of 123)	100.0 % (6 of 6)
Aromatic	82.1 % (46 of 56)	100.0 % (28 of 28)	64.3 % (18 of 28)
Methyl	96.4 % (54 of 56)	100.0 % (28 of 28)	92.9 % (26 of 28)

1. entity 1

GIVEQCCTSI CSLYQLENYC N

2. entity 2

FVNQHLCGSD LVEALYLVCG ERGFXYTKPT

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.5 mM
2	entity_2	[U-13C; U-15N]		0.5 mM
3	H2O	natural abundance		90 %
4	D2O	natural abundance		10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
5	entity_1	natural abundance		0.5 mM
6	entity_2	natural abundance		0.5 mM
7	H2O	natural abundance		90 %
8	D2O	natural abundance		10 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2MLI, Strand ID: A, B Detail

Release date

2014-08-24

Citation

Protective hinge in insulin opens to enable its receptor engagement
Menting, J.G., Yang, Y., Chan, S., Phillips, N.B., Smith, B.J., Whittaker, J., Wickramasinghe, N.P., Whittaker, L.J., Pandyarajan, V., Wan, Z., Yadav, S.P., Carroll, J.M., Strokes, N., Roberts, C.T., Ismail-Beigi, F., Milewski, W., Steiner, D.F., Chauhan, V.S., Ward, C.W., Weiss, M.A., Lawrence, M.C.
Proc. Natl. Acad. Sci. U. S. A. (2014), 111, E3395-E3404, PubMed 25092300 , DOI 10.1073/pnas.1412897111 , Abstract

Related entities 1. B25-(alpha, beta)-dehydro-phenylalanine insulin, entity 1, : 112 : 13 : 7 : 90 entities Detail

Related entities 2. B25-(alpha, beta)-dehydro-phenylalanine insulin, entity 2, : 1 : 118 : 98 entities Detail

Interaction partners 1. B25-(alpha, beta)-dehydro-phenylalanine insulin, entity 1, : 1 : 1 interactors Detail

More details for 2 interactors identified by 2 citations

Interaction partners 2. B25-(alpha, beta)-dehydro-phenylalanine insulin, entity 2, : 6 : 1 interactors Detail

More details for 7 interactors identified by 7 citations

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.5 mM
2	entity_2	[U-13C; U-15N]		0.5 mM
3	H2O	natural abundance		90 %
4	D2O	natural abundance		10 %

2 2D 1H-13C HSQC

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.5 mM
2	entity_2	[U-13C; U-15N]		0.5 mM
3	H2O	natural abundance		90 %
4	D2O	natural abundance		10 %

3 3D HNCACB

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.5 mM
2	entity_2	[U-13C; U-15N]		0.5 mM
3	H2O	natural abundance		90 %
4	D2O	natural abundance		10 %

4 3D CBCA(CO)NH

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.5 mM
2	entity_2	[U-13C; U-15N]		0.5 mM
3	H2O	natural abundance		90 %
4	D2O	natural abundance		10 %

5 3D HCCH-TOCSY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.5 mM
2	entity_2	[U-13C; U-15N]		0.5 mM
3	H2O	natural abundance		90 %
4	D2O	natural abundance		10 %

6 3D 1H-13C NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.5 mM
2	entity_2	[U-13C; U-15N]		0.5 mM
3	H2O	natural abundance		90 %
4	D2O	natural abundance		10 %

7 3D C(CO)NH

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.5 mM
2	entity_2	[U-13C; U-15N]		0.5 mM
3	H2O	natural abundance		90 %
4	D2O	natural abundance		10 %

8 4D 13C, 13C-NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.5 mM
2	entity_2	[U-13C; U-15N]		0.5 mM
3	H2O	natural abundance		90 %
4	D2O	natural abundance		10 %

9 4D 15N, 13C-NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	entity_1	[U-13C; U-15N]		0.5 mM
2	entity_2	[U-13C; U-15N]		0.5 mM
3	H2O	natural abundance		90 %
4	D2O	natural abundance		10 %

10 2D 1H-1H NOESY

Instrument

Bruker Avance - 700 MHz

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
5	entity_1	natural abundance		0.5 mM
6	entity_2	natural abundance		0.5 mM
7	H2O	natural abundance		90 %
8	D2O	natural abundance		10 %

11 2D 1H-1H TOCSY

Instrument

Bruker Avance - 700 MHz

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
5	entity_1	natural abundance		0.5 mM
6	entity_2	natural abundance		0.5 mM
7	H2O	natural abundance		90 %
8	D2O	natural abundance		10 %

nullKeywords insulin analog, solution structue