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Ligand · HCD

HCD · (3alpha,8alpha)-cholest-5-ene-3,20-diol

HCD, (3alpha,8alpha)-cholest-5-ene-3,20-diol (C27 H46 O2, 402.7 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
HCD
Formula
C27 H46 O2
Class
ligand
Structures
8
PDB entries
4

Binding sites

HCD in 8 structures; the first of them:

  • 5KZV · Crystal structure of the xenopus Smoothened cysteine-rich domain (CRD) in complex with… · HCD A400 · binds ASP68, LYS78, LEU81, TRP82, GLY84, LEU85, ASN87, ALA88 and 7 more
  • 6T4T · ROR(gamma)t ligand binding domain in complex with 20-alpha-hydroxycholesterol and… · HCD A804 · binds CYS285, GLN286, LEU287, TRP317, CYS320, HIS323, LEU324, ALA327 and 17 more
  • 6T4U · ROR(gamma)t ligand binding domain in complex with 20-alpha-hydroxycholesterol and… · HCD A802 · binds CYS285, GLN286, LEU287, TRP317, CYS320, HIS323, LEU324, ALA327 and 17 more
  • 6T4W · ROR(gamma)t ligand binding domain in complex with 20-alpha-hydroxycholesterol and… · HCD A804 · binds CYS285, GLN286, LEU287, TRP317, CYS320, HIS323, LEU324, ALA327 and 17 more
  • 5KZV · Crystal structure of the xenopus smoothened cysteine-rich domain (crd) in complex with… · HCD A400 · binds ASP68, LEU81, TRP82, GLY84, LEU85, ASN87, GLU133, ARG134 and 1 more
  • 6T4T · ROR(GAMMA)T ligand binding domain in complex with 20-alpha- hydroxycholesterol and… · HCD A804 · binds GLN286, LEU287, CYS320, HIS323, VAL361, ARG364, MET365, PHE378 and 9 more
  • 6T4U · ROR(GAMMA)T ligand binding domain in complex with 20-alpha- hydroxycholesterol and… · HCD A802 · binds GLN286, LEU287, TRP317, CYS320, HIS323, VAL361, ARG364, MET365 and 10 more
  • 6T4W · ROR(GAMMA)T ligand binding domain in complex with 20-alpha- hydroxycholesterol and… · HCD A804 · binds GLN286, CYS320, HIS323, VAL361, MET365, PHE378, PHE388, LEU391 and 8 more

Residues it binds most

LEU 8, PHE 6, ILE 7, HIS 6, ARG 8, VAL 7, CYS 6, ALA 4, GLN 6, MET 6 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • 4F1 · 4-{1-[2-chloro-6-(trifluoromethyl)benzoyl]-1H-indazol-3-yl}benzoic acid
  • L3E · 4-[(~{E})-[3-[2-chloranyl-6-(trifluoromethyl)phenyl]-5-(1~{H}-pyrrol-3-yl)-1,2-oxazol-4-yl]methylideneamino]benzoic acid
  • MJE · 4-[1-[2,6-bis(chloranyl)phenyl]carbonyl-5-methyl-thieno[3,2-c]pyrazol-3-yl]benzoic acid

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