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BMRB: 25791

2N73

Solution structure of kinase in complex with its regulatory protein

Authors

Veverka, V., Hexnerova, R.

Assembly

kinase in complex with its regulatory protein

Entity

1. kinase in complex with its regulatory protein, entity 1 (polymer, Thiol state: not present), 69 monomers, 8289.174 Da Detail

MQQKQQIMAA LNSQTAVQFQ QYAAQQYPGN YEQQQILIRQ LQEQHYQQYM QQLYQVQLAQ QQAALQKQQ

2. kinase in complex with its regulatory protein, entity 2 (polymer, Thiol state: all free), 80 monomers, 8004.078 Da Detail

GAMVEARSLA VAMGDTVVEP APLKPTSEPT SGPPGNNGGS LLSVITEGVG ELSVIDPEVA QKACQEVLEK VKLLHGGVAV

Total weight

16293.252 Da

Max. entity weight

8289.174 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing, molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.3 %, Completeness: 94.2 %, Completeness (bb): 98.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.2 % (1627 of 1728)	94.4 % (855 of 906)	95.1 % (615 of 647)	89.7 % (157 of 175)
Backbone	98.4 % (864 of 878)	98.0 % (295 of 301)	98.9 % (431 of 436)	97.9 % (138 of 141)
Sidechain	91.1 % (900 of 988)	92.6 % (560 of 605)	92.0 % (321 of 349)	55.9 % (19 of 34)
Aromatic	78.8 % (52 of 66)	100.0 % (33 of 33)	57.6 % (19 of 33)
Methyl	97.1 % (169 of 174)	100.0 % (87 of 87)	94.3 % (82 of 87)

1. entity 1

MQQKQQIMAA LNSQTAVQFQ QYAAQQYPGN YEQQQILIRQ LQEQHYQQYM QQLYQVQLAQ QQAALQKQQ

2. entity 2

GAMVEARSLA VAMGDTVVEP APLKPTSEPT SGPPGNNGGS LLSVITEGVG ELSVIDPEVA QKACQEVLEK VKLLHGGVAV

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	entity_1	[U-13C; U-15N]	0.47 mM
2	entity_2	[U-13C; U-15N]	0.47 mM
3	H2O	natural abundance	90 %
4	D2O	natural abundance	10 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.06 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.06 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: -0.01 ppm, Outliers: 3 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	na	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	na	indirect	0.1013291

Referencing offset: 0.12 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 45 models in PDB: 2N73, Strand ID: A, B Detail

Release date

2016-07-12

Citation

Structural insights and in vitro reconstitution of membrane targeting and activation of human PI4KB by the ACBD3 protein
Klima, M., Toth, D.J., Hexnerova, R., Baumlova, A., Chalupska, D., Tykvart, J., Rezabkova, L., Sengupta, N., Man, P., Dubankova, A., Humpolickova, J., Nencka, R., Veverka, V., Balla, T., Boura, E.
Sci. Rep. (2016), 6, 23641-23641, PubMed 27009356 , DOI 10.1038/srep23641 , Abstract

Related entities 1. kinase in complex with its regulatory protein, entity 1, : 6 : 1 entities Detail

Related entities 2. kinase in complex with its regulatory protein, entity 2, : 1 : 18 entities Detail

Interaction partners 1. kinase in complex with its regulatory protein, entity 1, : 19 : 1 interactors Detail

More details for 20 interactors identified by 9 citations

Interaction partners 2. kinase in complex with its regulatory protein, entity 2, : 14 : 1 interactors Detail

More details for 15 interactors identified by 10 citations

Experiments performed 8 experiments Detail

1 3D HNCACB