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The structure of P38 mitogen-activated protein kinase in complex with 4-[3-methylsulfanylanilino]-6,7- dimethoxyquinazoline

Analyse The structure of P38 mitogen-activated protein kinase in complex with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 1DI9
Type: protein
Length: 348 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: P38 kinase
EC: 2.7.1.-
UniProt: Q16539
Ligands: MSQ
Pockets: 8 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	P38 kinase (EC 2.7.1.-)	protein	348	39% helix, 14% strand	Q16539

Ligands and binding sites

MSQ · 4-[3-methylsulfanylanilino]-6,7-dimethoxyquinazoline · ligand · chains A

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

8 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	472	0.70	0.80	45	MSQ
2	86	0.46	0.81	15	empty
3	128	0.41	0.75	22	empty
4	62	0.33	0.76	16	empty
5	59	0.31	0.76	15	empty

Compared structures

1DI9 · The structure of P38 mitogen-activated protein kinase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
Every structure of UniProt Q16539
Elsewhere: RCSB PDB 1DI9 · PDBe 1DI9 · UniProt Q16539

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