MolNFT v1 · #112060 · protein

The structure of JNK3 in complex with an imidazole-pyrimidine inhibitor

4Z9L · Mitogen-activated protein kinase 10: “The structure of JNK3 in complex with an imidazole-pyrimidine inhibitor”. X-ray diffraction, 3 ligands (ANP, 880, UNX), 2 pockets (best druggability 0.68). MolNFT v1 #112060 on GenesisL1: 3D…

PDB: 4Z9L
Type: protein
Length: 333 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Mitogen-activated protein kinase 10
EC: 2.7.11.24
UniProt: P53779
Ligands: ANP, 880, UNX
Pockets: 2 · best druggability 0.68

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 17% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Mitogen-activated protein kinase 10 (EC 2.7.11.24)	protein	333	41% helix, 17% strand	P53779

Ligands and binding sites

ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
880 · Cyclohexyl-{4-[5-(3,4-dichlorophenyl)-2-piperidin-4-yl-3-propyl-3H-imidazol-4-yl]-pyrimidin-2-yl}amine · ligand · chains A
UNX · Unknown atom or ion · ion · 3 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	455	0.68	0.80	45	880
2	50	0.27	0.74	14	UNX

Compared structures

4Z9L · The structure of JNK3 in complex with an imidazole-pyrimidine inhibitor · 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 P53779
Elsewhere: RCSB PDB 4Z9L · PDBe 4Z9L · UniProt P53779

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.