MolNFT v1 · #12891 · protein

P38 MAP kinase in complex with inhibitor 1

1KV1: “P38 MAP kinase in complex with inhibitor 1”. X-ray diffraction, 1 ligand (BMU), 5 pockets (best druggability 0.78). MolNFT v1 #12891 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1KV1
Type: protein
Length: 331 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: P38 MAP kinase
EC: 2.7.1.-
UniProt: Q16539
Ligands: BMU
Pockets: 5 · best druggability 0.78

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	P38 MAP kinase (EC 2.7.1.-)	protein	331	37% helix, 17% strand	Q16539

Ligands and binding sites

BMU · 1-(5-tert-butyl-2-methyl-2H-pyrazol-3-yl)-3-(4-chloro-phenyl)-urea · ligand · chains A

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

Pockets

5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	558	0.78	0.84	59	BMU
2	114	0.61	0.86	19	empty
3	110	0.39	0.75	17	empty
4	63	0.31	0.75	17	empty
5	50	0.30	0.75	13	empty

Compared structures

1KV1 · p38 MAP Kinase in Complex with Inhibitor 1 · 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 1KV1 · PDBe 1KV1 · UniProt Q16539

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