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Human P38 MAP kinase in complex with RL163

Analyse Human P38 MAP kinase in complex with RL163 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4DLJ
Type: protein
Length: 336 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: 6RG
Pockets: 7 · best druggability 0.73

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	336	39% helix, 15% strand	Q16539

Ligands and binding sites

6RG · 2-phenyl-N~4~-(2-phenylethyl)quinazoline-4,7-diamine · ligand · 2 copies · chains A

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

Pockets

7 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	177	0.73	0.89	21	6RG
2	515	0.68	0.79	47	6RG
3	156	0.45	0.76	28	empty
4	133	0.40	0.74	19	empty
5	81	0.34	0.74	16	empty

Compared structures

4DLJ · Human p38 MAP kinase in complex with RL163 · 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 4DLJ · PDBe 4DLJ · UniProt Q16539

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