MolNFT v1 · #144029 · protein

Linked KDM5A jmj domain bound to the inhibitor 5-(1-(tert-butyl)-1H- pyrazol-4-yl)-6-isopropyl-7-oxo-4,7-DIHYDROPYRAZOLO[1,5-A]PYRIMIDINE- 3-carbonitrile (compound N75/CPI-48)

6BH4: “Linked KDM5A jmj domain bound to the inhibitor 5-(1-(tert-butyl)-1H…”. X-ray diffraction, 2 ligands (DQS, MN). MolNFT v1 #144029 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 6BH4
Type: protein
Length: 296 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt: P29375
Ligands: DQS, MN

Structure

x-ray diffraction · 1 distinct chain.

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	—	protein	296	—	P29375

Ligands and binding sites

DQS · 5-(1-tert-butyl-1H-pyrazol-4-yl)-7-oxo-6-(propan-2-yl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile · ligand · chains A
MN · Manganese (II) ion · metal · chains A
EDO · 1,2-ethanediol · additive · 7 copies · chains A
GOL · Glycerol · additive · chains A

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

Compared structures

6BH4 · LINKED KDM5A JMJ DOMAIN BOUND TO THE INHIBITOR… · the same entry in another collection · chain A against A, TM-score 1.00
P29375 · AlphaFold monomer V2.0 prediction for lysine-specific demethylase 5A (P29375) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 P29375
Elsewhere: RCSB PDB 6BH4 · PDBe 6BH4 · UniProt P29375

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