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Ligand · VDX

VDX · 5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7A-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexane-1,3-diol

VDX, 5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7A-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-cyclohexane-1,3-diol (C27 H44 O3, 416.6 g/mol), in the MolNFT structures on GenesisL1: bound in 11 records (8 PDB entries). Every…

Component
VDX
Formula
C27 H44 O3
Class
ligand
Structures
11
PDB entries
8

Binding sites

VDX in 11 structures; the first of them:

  • 5H1E · Interaction between vitamin D receptor and coactivator peptide SRC2-3 · VDX A501 · binds TYR143, TYR147, PHE150, LEU223, LEU229, VAL230, SER233, ILE267 and 14 more
  • 6XZH · Structure of zVDR LBD-Calcitriol in complex with chimera 10 · VDX A4001 · binds TYR175, TYR179, PHE182, LEU255, LEU258, LEU261, VAL262, SER265 and 17 more
  • 6XZJ · Structure of zVDR LBD-Calcitriol in complex with chimera 12 · VDX A501 · binds TYR175, LEU255, LEU261, VAL262, SER265, ILE299, ARG302, SER303 and 8 more
  • 6XZV · Structure of zVDR LBD-Calcitriol in complex with chimera 18 · VDX A501 · binds TYR175, TYR179, PHE182, LEU255, LEU258, LEU261, VAL262, SER265 and 20 more
  • 7QPI · Structure of lamprey VDR in complex with 1,25D3 · VDX A301 · binds TYR22, TYR26, PHE29, LEU82, LEU85, LEU88, VAL89, SER92 and 17 more
  • 7QPP · High resolution structure of human VDR ligand binding domain in complex with calcitriol · VDX A501 · binds TYR143, TYR147, PHE150, LEU227, LEU230, LEU233, VAL234, SER237 and 17 more
  • 6XZH · Structure of zvdr lbd-calcitriol in complex with chimera 10 · VDX A4001 · binds TYR175, LEU255, LEU258, LEU261, VAL262, SER265, ILE299, ARG302 and 8 more
  • 6XZI · Structure of zvdr lbd-calcitriol in complex with chimera 11 · VDX A501 · binds TYR175, LEU255, LEU261, VAL262, SER265, ILE299, ARG302, SER303 and 8 more
  • 6XZJ · Structure of zvdr lbd-calcitriol in complex with chimera 12 · VDX A501 · binds TYR175, LEU255, LEU261, VAL262, SER265, ILE299, ARG302, SER303 and 8 more
  • 6XZK · Structure of zvdr lbd-calcitriol in complex with chimera 13 · VDX A501 · binds TYR175, LEU255, LEU261, VAL262, SER265, ILE299, ARG302, SER303 and 10 more
  • 6XZV · Structure of zvdr lbd-calcitriol in complex with chimera 18 · VDX A501 · binds TYR175, TYR179, LEU255, LEU261, VAL262, SER265, ILE299, ARG302 and 9 more

Residues it binds most

LEU 11, TYR 11, SER 11, VAL 11, HIS 11, ILE 11, ARG 11, CYS 11, TRP 11, PHE 5 (residue and the binding sites it lines).

Found with

  • URL · [(2~{S})-2-azanyl-4-methyl-pentyl]carbamic acid
  • ACT · Acetate ion
  • MFH · [(2~{S})-2-azanyl-3-(4-hydroxyphenyl)propyl]carbamic acid
  • UIA · [(2~{R})-1-azanylpropan-2-yl]carbamic acid
  • UIL · [(2~{R})-1-azanyl-4-methyl-pentan-2-yl]carbamic acid
  • URV · [(2~{S})-2-azanyl-3-methyl-butyl]carbamic acid
  • UZN · [(2~{S})-2-azanylhexyl]carbamic acid
  • G2Z · [(2~{S})-2-azanylpropyl]carbamic acid
  • MG · Magnesium ion
  • SO4 · Sulfate ion

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