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MolNFT v1 · #176127 · protein

Crystal structure of EHMT2 set domain in complex with compound 10

7DCF: “Crystal structure of EHMT2 set domain in complex with compound 10”. X-ray diffraction, 2 ligands (H30, ZN). MolNFT v1 #176127 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7DCF
Type
protein
Length
521 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
Q96KQ7
Ligands
H30, ZN

Structure

x-ray diffraction · 2 distinct chains.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein261—Q96KQ7
B—protein260—Q96KQ7

Ligands and binding sites

  • H30 · 5'-methoxy-6'-(1-methyl-2,3,4,7-tetrahydroazepin-5-yl) spiro[cyclobutane-1,3'-indole]-2'-amine · ligand · 2 copies · chains A, B
  • ZN · Zinc ion · metal · 8 copies · chains A, B

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

Compared structures

  • 7DCF · Crystal structure of EHMT2 SET domain in complex with compound 10 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q96KQ7 · AlphaFold monomer V2.0 prediction for histone-lysine N-methyltransferase EHMT2 (Q96KQ7) · a predicted model of the same protein · chain A against A, TM-score 0.98

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