MolNFT v1 · #170354 · protein

Crystal structure of P38 in complex with SR65

6Y4U · Mitogen-activated protein kinase 14: “Crystal structure of P38 in complex with SR65”. X-ray diffraction, 1 ligand (O98), 6 pockets (best druggability 0.73). MolNFT v1 #170354 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 6Y4U
Type: protein
Length: 341 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mitogen-activated protein kinase 14
EC: 2.7.11.24
UniProt: P47811
Ligands: O98
Pockets: 6 · best druggability 0.73

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase 14 (EC 2.7.11.24)	protein	341	42% helix, 14% strand	P47811

Ligands and binding sites

O98 · 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide · ligand · chains A
EDO · 1,2-ethanediol · additive · 4 copies · chains A

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

Pockets

6 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	563	0.73	0.81	51	O98
2	101	0.70	0.92	21	empty
3	161	0.45	0.76	27	empty
4	130	0.39	0.74	17	empty
5	66	0.31	0.75	16	empty

Compared structures

6Y4U · Crystal structure of p38 in complex with SR65 · 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 P47811
Elsewhere: RCSB PDB 6Y4U · PDBe 6Y4U · UniProt P47811

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