MolNFT v1 · #17496 · protein

The structure of P38 alpha in complex with a dihydroquinolinone

1OVE · Mitogen-activated protein kinase 14: “The structure of P38 alpha in complex with a dihydroquinolinone”. X-ray diffraction, 1 ligand (358), 5 pockets (best druggability 0.72). MolNFT v1 #17496 on GenesisL1: 3D structure, binding…

PDB: 1OVE
Type: protein
Length: 349 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mitogen-activated protein kinase 14
EC: 2.7.1.37
UniProt: Q16539
Ligands: 358
Pockets: 5 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase 14 (EC 2.7.1.37)	protein	349	40% helix, 15% strand	Q16539

Ligands and binding sites

358 · 1-(2,6-dichlorophenyl)-5-(2,4-difluorophenyl)-7-piperidin-4-yl-3,4-dihydroquinolin-2(1H)-one · ligand · chains A
GOL · Glycerol · additive · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	589	0.72	0.80	46	358
2	173	0.45	0.75	20	empty
3	75	0.36	0.76	23	empty
4	54	0.27	0.73	15	empty
5	50	0.26	0.74	14	empty

Compared structures

1OVE · The structure of p38 alpha in complex with a dihydroquinoli · 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 1OVE · PDBe 1OVE · UniProt Q16539

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