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MolNFT v2 · #187198 · protein

Structure of HDAC2 in complex with an inhibitor (compound 14)

7MOX: “Structure of HDAC2 in complex with an inhibitor (compound 14)”. X-ray diffraction at 1.69, 4 ligands (ZLS, CA, ZN). MolNFT v2 #187198 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7MOX
Type
protein
Length
1,102 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v2 / PDB Bank
Contract
0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner
0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution
1.69
Source
Homo sapiens
UniProt
Q92769
Ligands
ZLS, CA, ZN, SO4

Structure

x-ray diffraction · resolution 1.69 · 3 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein368—Q92769
B—protein366—Q92769
C—protein368—Q92769

Ligands and binding sites

  • ZLS · (1S)-N-[(1S)-7,7-dihydroxy-1-{4-[(1R,4S)-1,2,3,4-tetrahydro-1,4-methanonaphthalen-6-yl]-1H-imidazol-2-yl}nonyl]-6-methyl-6-azaspiro[2.5]octane-1-carboxamide · ligand · 3 copies · chains A, B, C
  • CA · Calcium ion · metal · 6 copies · chains A, B, C
  • ZN · Zinc ion · metal · 3 copies · chains A, B, C
  • SO4 · Sulfate ion · ion · 10 copies · chains A, B, C
  • PEG · Di(hydroxyethyl)ether · additive · 7 copies · chains A, B, C

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

Compared structures

  • 7MOX · Structure of HDAC2 in complex with an inhibitor (compound 14) · the same entry in another collection · chain A against A, TM-score 1.00
  • Q92769 · AlphaFold monomer V2.0 prediction for histone deacetylase 2 (Q92769) · a predicted model of the same protein · chain B against A, TM-score 1.00

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