MolNFT v1 · #66576 · protein

Human P38 MAP kinase in complex with RL40

3HUC · Mitogen-activated protein kinase 14: “Human P38 MAP kinase in complex with RL40”. X-ray diffraction, 1 ligand (G97), 6 pockets (best druggability 0.67). MolNFT v1 #66576 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3HUC
Type: protein
Length: 337 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: G97
Pockets: 6 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase 14 (EC 2.7.11.24)	protein	337	41% helix, 16% strand	Q16539

Ligands and binding sites

G97 · N-[2-phenyl-4-(1H-pyrazol-3-ylamino)quinazolin-7-yl]prop-2-enamide · ligand · chains A
BOG · octyl beta-D-glucopyranoside · additive · chains A
MES · 2-(N-morpholino)-ethanesulfonic acid · additive · 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	419	0.67	0.79	54	G97
2	208	0.63	0.83	30	BOG
3	96	0.39	0.76	26	empty
4	78	0.34	0.75	17	empty
5	58	0.32	0.76	16	empty

Compared structures

3HUC · Human p38 MAP Kinase in Complex with RL40 · 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 3HUC · PDBe 3HUC · UniProt Q16539

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