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MolNFT v2 · #151778 · protein

Crystal structure of human KDM5B in complex with compound 34a

6H50: “Crystal structure of human KDM5B in complex with compound 34a”. X-ray diffraction at 2.19, 4 ligands (FO2, ZN, MN). MolNFT v2 #151778 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6H50
Type
protein
Length
456 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
2.19
Source
Homo sapiens
UniProt
Q9UGL1
Ligands
FO2, ZN, MN, PO4

Structure

x-ray diffraction · resolution 2.19 · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein456—Q9UGL1

Ligands and binding sites

  • FO2 · 8-[4-(1-methylpiperidin-4-yl)pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one · ligand · chains A
  • ZN · Zinc ion · metal · 2 copies · chains A
  • MN · Manganese (II) ion · metal · 2 copies · chains A
  • PO4 · Phosphate ion · ion · chains A
  • DMS · Dimethyl sulfoxide · additive · 5 copies · chains A
  • EDO · 1,2-ethanediol · additive · 3 copies · chains A

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

Compared structures

  • 6H50 · Crystal structure of human KDM5B in complex with compound 34A · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9UGL1 · AlphaFold monomer V2.0 prediction for lysine-specific demethylase 5B (Q9UGL1) · a predicted model of the same protein · chain A against A, TM-score 0.96

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