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Ligand · AND

AND · 3-beta-hydroxy-5-androsten-17-one

AND, 3-beta-hydroxy-5-androsten-17-one (C19 H28 O2, 288.4 g/mol), in the MolNFT structures on GenesisL1: bound in 10 records (7 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands…

Component
AND
Formula
C19 H28 O2
Class
ligand
Structures
10
PDB entries
7

Binding sites

AND in 10 structures; the first of them:

  • 1COY · Crystal structure of cholesterol oxidase complexed with a steroid substrate. implications… · AND A508 · binds MET59, GLN75, PRO76, VAL77, PHE83, ASN119, GLY120, MET122 and 12 more
  • 1E3R · Crystal structure of ketosteroid isomerase mutant D40N (D38N TI numbering) from… · AND A801 · binds TYR16, VAL20, ASN40, PHE56, TYR57, GLY60, LEU61, VAL66 and 8 more
  • 1J99 · Crystal structure of human dehydroepiandrosterone sulfotransferase in complex with… · AND A401 · binds PRO14, MET16, PHE18, LYS44, TRP77, HIS99, PHE133, TRP134 and 5 more
  • 1Q22 · Crystal structure of human cholesterol sulfotransferase (SULT2B1b) in the presence of… · AND A401 · binds ILE20, LEU43, TYR44, TRP98, TRP103, THR106, VAL108, HIS125 and 6 more
  • 7XKD · Cryo-EM structure of DHEA-ADGRG2-BT-Gs complex · AND R1001 · binds LEU620, THR624, ASN763, THR765, MET853, PHE856, ALA857, THR861
  • 7XKE · Cryo-EM structure of DHEA-ADGRG2-FL-Gs complex · AND R1001 · binds LEU620, THR624, PHE671, PRO762, ASN763, GLY764, THR765, MET853 and 3 more
  • 7XKF · Cryo-EM structure of DHEA-ADGRG2-BT-Gs complex at lower state · AND R1001 · binds LEU620, THR624, CYS628, LEU667, ASN668, PHE671, ASN763, THR765 and 5 more
  • 7XKD · Cryo-EM structure of dhea-ADGRG2-bt-gs complex · AND R1001 · binds THR624, ASN763, THR765, MET853, PHE856
  • 7XKE · Cryo-EM structure of dhea-ADGRG2-fl-gs complex · AND R1001 · binds LEU620, PRO762, ASN763, THR765, MET853, PHE856, ALA857, THR861
  • 7XKF · Cryo-EM structure of dhea-ADGRG2-bt-gs complex at lower state · AND R1001 · binds LEU620, THR624, PHE671, THR765, TRP838, PHE856, THR861

Residues it binds most

THR 8, PHE 11, LEU 10, MET 8, ASN 8, TYR 5, VAL 4, TRP 6, ALA 7, PRO 4 (residue and the binding sites it lines).

Found with

  • A3P · Adenosine-3'-5'-diphosphate
  • FAD · Flavin-adenine dinucleotide
  • HGI · Mercury (II) iodide
  • NA · Sodium ion
  • IOD · Iodide ion

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