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Ligand · QRP

QRP · (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

QRP, (3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione (C16 H17 N3 O2, 283.3 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (8 PDB entries). Every binding site with its residues within 4.5 Å, the…

Component
QRP
Formula
C16 H17 N3 O2
Class
ligand
Structures
8
PDB entries
8

Binding sites

QRP in 8 structures; the first of them:

  • 6VXV · Crystal structure of cyclo-L-Trp-L-Pro-bound cytochrome P450 NasF5053 from Streptomyces… · QRP A402 · binds GLN72, GLU73, LEU77, PHE174, THR241, LEU283, SER284, GLY286 and 6 more
  • 6VYA · Crystal structure of NotF in complex with brevianamide F and DMSPP · QRP C501 · binds THR99, ILE100, ARG102, GLU108, LEU193, ALA198, TYR214, PHE216 and 3 more
  • 6VZA · Crystal structure of cytochrome P450 NasF5053 Q65I-A86G mutant variant from Streptomyces… · QRP A406 · binds GLN72, GLU73, LEU77, PHE174, THR241, LEU283, SER284, GLY286 and 6 more
  • 6VZB · Crystal structure of cytochrome P450 NasF5053 S284A-V288A mutant variant from… · QRP A401 · binds GLN72, GLU73, LEU77, PHE174, THR241, LEU283, ALA284, THR285 and 7 more
  • 6XAI · Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Pro) · QRP A802 · binds GLN75, GLU76, LEU80, PHE177, THR244, LEU286, SER287, GLY289 and 6 more
  • 6XAK · Crystal structure of NzeB in complex with cyclo-(L-Trp-L-Pro) and cyclo-(L-Trp-L-Trp) · QRP A802 · binds GLN75, GLU76, LEU80, PHE177, THR244, LEU286, SER287, GLY289 and 6 more
  • 7S3J · Crystal Structure of AspB P450 in complex with brevianamide F substrates · QRP A802 · binds GLN75, GLU76, LEU80, PHE177, THR244, LEU286, SER287, GLY289 and 6 more

Residues it binds most

PHE 42, LEU 42, TYR 24, THR 34, GLU 34, ILE 32, SER 16, TRP 24, ARG 23, VAL 17 (residue and the binding sites it lines).

Found with

  • HEM · Protoporphyrin IX containing Fe
  • NA · Sodium ion
  • EDO · 1,2-ethanediol
  • CA · Calcium ion
  • GOL · Glycerol
  • DST · Dimethylallyl S-thiolodiphosphate
  • UYM · (3S,6S)-3,6-bis[(1H-indol-3-yl)methyl]piperazine-2,5-dione
  • MG · Magnesium ion
  • CL · Chloride ion

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