MolNFT v1 · #90933 · protein

MAPK13 complex with inhibitor

4EYJ · Mitogen-activated protein kinase 13: “MAPK13 complex with inhibitor”. X-ray diffraction, 1 ligand (N61), 1 pocket (best druggability 0.76). MolNFT v1 #90933 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4EYJ
Type: protein
Length: 338 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mitogen-activated protein kinase 13
EC: 2.7.11.24
UniProt: O15264
Ligands: N61
Pockets: 1 · best druggability 0.76

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase 13 (EC 2.7.11.24)	protein	338	37% helix, 16% strand	O15264

Ligands and binding sites

N61 · 1-(3-tert-butyl-1-methyl-1H-pyrazol-5-yl)-3-[4-(pyridin-4-yloxy)phenyl]urea · ligand · chains A

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

Pockets

1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	507	0.76	0.83	58	N61

Compared structures

4EYJ · MAPK13 Complex with inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
O15264 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase 13 (O15264) · a predicted model of the same protein · chain A against A, TM-score 0.97

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 O15264
Elsewhere: RCSB PDB 4EYJ · PDBe 4EYJ · UniProt O15264

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