MolNFT v1 · #147104 · protein

ASK1 kinase domain complex with inhibitor

6E2N: “ASK1 kinase domain complex with inhibitor”. X-ray diffraction, 1 ligand (KK8). MolNFT v1 #147104 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6E2N
Type: protein
Length: 514 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: Q99683
Ligands: KK8

Structure

x-ray diffraction · 2 distinct chains.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	264	—	Q99683
B	—	protein	250	—	Q99683

Ligands and binding sites

KK8 · N-[3-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)phenyl][3,4'-bipyridine]-2'-carboxamide · ligand · 2 copies · chains A, B

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

Compared structures

6E2N · ASK1 kinase domain complex with inhibitor · the same entry in another collection · chain A against A, TM-score 1.00
Q99683 · AlphaFold monomer V2.0 prediction for mitogen-activated protein kinase kinase kinase 5… · a predicted model of the same protein · chain B against A, TM-score 0.99

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 Q99683
Elsewhere: RCSB PDB 6E2N · PDBe 6E2N · UniProt Q99683

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