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MolNFT v1 · #150803 · protein

Crystal structure of human KDM4A in complex with compound 18A

6H4O: “Crystal structure of human KDM4A in complex with compound 18A”. X-ray diffraction, 3 ligands (FQH, ZN, CL). MolNFT v1 #150803 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
6H4O
Type
protein
Length
1,358 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
O75164
Ligands
FQH, ZN, CL

Structure

x-ray diffraction · 4 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein338—O75164
B—protein339—O75164
C—protein341—O75164
D—protein340—O75164

Ligands and binding sites

  • FQH · 8-[4-[2-[4-[3-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]pyrazol-1-yl]-3~{H}-pyrido[3,4-d]pyrimidin-4-one · ligand · 4 copies · chains A, B, C, D
  • ZN · Zinc ion · metal · 8 copies · chains A, B, C, D
  • CL · Chloride ion · ion · 2 copies · chains A
  • DMS · Dimethyl sulfoxide · additive · 3 copies · chains C, D
  • GOL · Glycerol · additive · 2 copies · chains A, C, B

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

Compared structures

  • 6H4O · Crystal structure of human KDM4A in complex with compound 18a · the same entry in another collection · chain A against A, TM-score 1.00

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