MolNFT v1 · #66603 · protein

Human P38 MAP kinase in complex with RL38

3HV7 · Mitogen-activated protein kinase 14: “Human P38 MAP kinase in complex with RL38”. X-ray diffraction, 1 ligand (1AU), 5 pockets (best druggability 0.74). MolNFT v1 #66603 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3HV7
Type: protein
Length: 330 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: 1AU
Pockets: 5 · best druggability 0.74

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase 14 (EC 2.7.11.24)	protein	330	39% helix, 15% strand	Q16539

Ligands and binding sites

1AU · 1-[1-(3-aminophenyl)-3-tert-butyl-1H-pyrazol-5-yl]-3-naphthalen-1-ylurea · ligand · chains A
BOG · octyl beta-D-glucopyranoside · 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, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	521	0.74	0.82	54	1AU
2	197	0.67	0.85	28	BOG
3	64	0.33	0.76	18	empty
4	69	0.31	0.74	16	empty
5	55	0.29	0.75	17	empty

Compared structures

3HV7 · Human p38 MAP Kinase in Complex with RL38 · 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 3HV7 · PDBe 3HV7 · UniProt Q16539

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