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Ligand · PDN

PDN · 17,21-dihydroxypregna-1,4-diene-3,11,20-trione

PDN, 17,21-dihydroxypregna-1,4-diene-3,11,20-trione (C21 H26 O5, 358.4 g/mol), in the MolNFT structures on GenesisL1: bound in 15 records (8 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
PDN
Formula
C21 H26 O5
Class
ligand
Structures
15
PDB entries
8

Binding sites

PDN in 15 structures; the first of them:

  • 1H61 · Structure of Pentaerythritol Tetranitrate Reductase in complex with prednisone · PDN A1366 · binds THR26, TYR68, TRP102, THR129, ARG130, THR131, ARG142, HIS181 and 5 more
  • 2AAX · Mineralocorticoid Receptor Double Mutant with Bound Cortisone · PDN A502 · binds LEU766, LEU769, ASN770, LEU772, ALA773, GLN776, TRP806, MET807 and 13 more
  • 2Q1V · Ancestral corticoid receptor in complex with cortisol · PDN A248 · binds LEU29, LEU32, ASN33, LEU35, ALA36, GLN39, TRP69, MET70 and 12 more
  • 3CMF · Crystal structure of human liver 5beta-reductase (AKR1D1) in complex with NADP and… · PDN A946 · binds TYR26, ILE57, TYR58, LYS87, TRP89, GLU120, TYR132, TRP140 and 6 more
  • 3EAU · Voltage-dependent K+ channel beta subunit in complex with cortisone · PDN A501 · binds TRP57, VAL89, TYR90, LYS118, TRP121, ARG129, ASN158, ARG189
  • 3EB3 · Voltage-dependent K+ channel beta subunit (W121A) in complex with cortisone · PDN A601 · binds LYS44, SER45, TYR184, TYR199, ARG203, ILE208, PRO209, PRO210 and 3 more
  • 3EB4 · Voltage-dependent K+ channel beta subunit (I211R) in complex with cortisone · PDN A501 · binds TRP57, VAL89, TYR90, LYS118, TRP121, ARG129, ASN158, ARG189
  • 8RNN · Unspecific peroxygenase from Marasmius wettsteinii (MweUPO-1) in complex with prednisone · PDN A305 · binds ILE55, LEU58, ALA59, ILE84, LEU149, THR152, ILE153, SER156 and 5 more
  • 1H61 · Structure of pentaerythritol tetranitrate reductase in complex with prednisone · PDN A1366 · binds THR26, TYR68, TRP102, THR129, ARG130, THR131, ARG142, HIS181 and 5 more
  • 2AAX · Mineralocorticoid receptor double mutant with bound cortisone · PDN A502 · binds LEU766, LEU769, ASN770, LEU772, ALA773, GLN776, TRP806, MET807 and 13 more
  • 2Q1V · Ancestral corticoid receptor in complex with cortisol · PDN A248 · binds LEU29, LEU32, ASN33, LEU35, ALA36, GLN39, TRP69, MET70 and 12 more
  • 3CMF · Crystal structure of human liver 5BETA-reductase (AKR1D1) in complex with NADP and… · PDN A946 · binds TYR26, ILE57, TYR58, LYS87, TRP89, GLU120, TYR132, TRP140 and 6 more
  • 3EAU · Voltage-dependent K+ channel beta subunit in complex with cortisone · PDN A501 · binds TRP57, VAL89, TYR90, LYS118, TRP121, ARG129, ASN158, ARG189
  • 3EB3 · Voltage-dependent K+ channel beta subunit (W121A) in complex with cortisone · PDN A601 · binds LYS44, SER45, TYR184, TYR199, ARG203, ILE208, PRO209, PRO210 and 3 more
  • 3EB4 · Voltage-dependent K+ channel beta subunit (I211R) in complex with cortisone · PDN A501 · binds TRP57, VAL89, TYR90, LYS118, TRP121, ARG129, ASN158, ARG189

Residues it binds most

LEU 14, TRP 16, TYR 14, ILE 10, MET 10, ARG 16, PHE 7, THR 10, VAL 14, LYS 12 (residue and the binding sites it lines).

Found with

  • NDP · Nadph dihydro-nicotinamide-adenine-dinucleotide phosphate
  • SO4 · Sulfate ion
  • GOL · Glycerol
  • FMN · Flavin mononucleotide
  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate
  • HEM · Protoporphyrin IX containing Fe
  • MG · Magnesium ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • DMS · Dimethyl sulfoxide
  • PEG · Di(hydroxyethyl)ether

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