MolNFT v1 · #90936 · protein

MAPK13 complex with inhibitor

4EYM · Mitogen-activated protein kinase 13: “MAPK13 complex with inhibitor”. X-ray diffraction, 1 ligand (0RX), 1 pocket (best druggability 0.69). MolNFT v1 #90936 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4EYM
Type: protein
Length: 340 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: 0RX
Pockets: 1 · best druggability 0.69

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	340	37% helix, 16% strand	O15264

Ligands and binding sites

0RX · 2-(morpholin-4-yl)-N-[4-(pyridin-4-yloxy)phenyl]pyridine-4-carboxamide · 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	436	0.69	0.80	46	0RX

Compared structures

4EYM · 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 4EYM · PDBe 4EYM · UniProt O15264

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