GL1X · GenesisL1 explorer

Ligand · VD3

VD3 · (1S,3Z)-3-[(2E)-2-[(1r,3ar,7as)-7A-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3A,5,6,7-hexahydro-1H-inden-4-ylidene]ethyli dene]-4-methylidene-cyclohexan-1-ol

VD3, (1S,3Z)-3-[(2E)-2-[(1r,3ar,7as)-7A-methyl-1-[(2R)-6-methylheptan-2-yl]-2,3,3A,5,6,7-hexahydro-1H-inden-4-ylidene]ethyli dene]-4-methylidene-cyclohexan-1-ol (C27 H44 O, 384.6 g/mol), in the MolNFT structures on GenesisL1: bound in 2…

Component
VD3
Formula
C27 H44 O
Class
ligand
Structures
2
PDB entries
1

Binding sites

VD3 in 2 structures; the first of them:

  • 6T0G · Crystal structure of CYP124 in complex with vitamin D3 · VD3 A502 · binds PHE63, ASN93, ILE94, THR95, GLN99, PHE107, ILE111, ILE197 and 10 more
  • 6T0G · Crystal structure of CYP124 in complex with vitamin D3 · VD3 A502 · binds ASN93, THR95, GLN99, PHE107, ILE111, ILE197, LEU198, LEU263 and 3 more

Residues it binds most

ILE 2, PHE 2, LEU 2, THR 2, VAL 2, ALA 2, ASN 2, GLN 2, MET 1 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • MG · Magnesium ion
  • PGE · Triethylene glycol

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