MolNFT v1 · #64070 · protein

P38 kinase crystal structure in complex with RO6257

3FSK · Mitogen-activated protein kinase 14: “P38 kinase crystal structure in complex with RO6257”. X-ray diffraction, 1 ligand (RO6), 5 pockets (best druggability 0.69). MolNFT v1 #64070 on GenesisL1: 3D structure, binding sites and…

PDB: 3FSK
Type: protein
Length: 342 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: Q16539
Ligands: RO6
Pockets: 5 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase 14 (EC 2.7.11.24)	protein	342	42% helix, 15% strand	Q16539

Ligands and binding sites

RO6 · 3-(2-chlorophenyl)-7-[(trans-4-hydroxycyclohexyl)amino]-3,4-dihydropyrimido[4,5-d]pyrimidin-2(1H)-one · 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, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	452	0.69	0.80	51	RO6
2	87	0.35	0.74	18	empty
3	52	0.33	0.78	17	empty
4	51	0.28	0.74	13	empty
5	52	0.25	0.73	17	empty

Compared structures

3FSK · P38 kinase crystal structure in complex with RO6257 · 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 3FSK · PDBe 3FSK · UniProt Q16539

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.