MolNFT v1 · #170828 · protein

Crystal structure of P38 in complex with SR43

6YK7 · Mitogen-activated protein kinase 14: “Crystal structure of P38 in complex with SR43”. X-ray diffraction, 1 ligand (OU2), 4 pockets (best druggability 0.74). MolNFT v1 #170828 on GenesisL1: 3D structure, binding sites and pockets in…

PDB: 6YK7
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: OU2
Pockets: 4 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase 14 (EC 2.7.11.24)	protein	341	38% helix, 15% strand	P47811

Ligands and binding sites

OU2 · 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide · ligand · chains A
EDO · 1,2-ethanediol · additive · 8 copies · chains A

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	572	0.74	0.81	51	OU2
2	207	0.71	0.87	26	EDO
3	345	0.56	0.75	55	EDO
4	67	0.31	0.74	15	empty

Compared structures

6YK7 · Crystal structure of p38 in complex with SR43 · 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 6YK7 · PDBe 6YK7 · UniProt P47811

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