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Human P38 MAP kinase in complex with a benzamide substituted benzosuberone

Analyse Human P38 MAP kinase in complex with a benzamide substituted benzosuberone in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3UVP
Type: protein
Length: 334 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: 048
Pockets: 5 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase 14 (EC 2.7.11.24)	protein	334	37% helix, 16% strand	Q16539

Ligands and binding sites

048 · N-{2-fluoro-5-[(5-oxo-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)amino]phenyl}benzamide · ligand · chains A
BOG · octyl beta-D-glucopyranoside · additive · 2 copies · 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	214	0.66	0.84	30	BOG
2	386	0.63	0.78	42	048
3	126	0.42	0.75	25	empty
4	78	0.32	0.74	18	empty
5	66	0.31	0.74	14	empty

Compared structures

3UVP · Human p38 MAP Kinase in Complex with a Benzamide Substituted Benzosuberone · 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 3UVP · PDBe 3UVP · UniProt Q16539

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