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Ligand · VPR

VPR · 2-propylpentanamide

VPR, 2-propylpentanamide (C8 H17 N O, 143.2 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 ligands found with it.

Component
VPR
Formula
C8 H17 N O
Class
ligand
Structures
8
PDB entries
4

Binding sites

VPR in 8 structures; the first of them:

  • 1NU3 · Limonene-1,2-epoxide hydrolase in complex with valpromide · VPR A4001 · binds TYR53, ASN55, LEU71, LEU74, PHE75, MSE78, ILE80, ARG99 and 9 more
  • 2CJP · Structure of potato (Solanum tuberosum) epoxide hydrolase I (StEH1) · VPR B1322 · binds PHE33, ASP105, TYR154, PHE158, ILE180, TYR183, PHE189, PHE191 and 5 more
  • 3G0I · Complex of Aspergillus niger epoxide hydrolase with valpromide (2-propylpentanamide) · VPR A1 · binds TRP117, ASP192, ILE193, PHE196, LEU215, PHE244, TYR251, TRP284 and 6 more
  • 5AIG · Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot… · VPR A200 · binds TRP32, ASN34, PHE53, MET54, TRP62, ARG78, ASP80, PHE82 and 7 more
  • 1NU3 · Limonene-1,2-epoxide hydrolase in complex with valpromide · VPR A4001 · binds TYR53, ASN55, LEU71, LEU74, PHE75, MSE78, ILE80, ARG99 and 9 more
  • 2CJP · Structure of potato (solanum tuberosum) epoxide hydrolase I (STEH1) · VPR B1322 · binds PHE33, ASP105, TYR154, PHE158, ILE180, TYR183, PHE189, PHE191 and 5 more
  • 3G0I · Complex of aspergillus niger epoxide hydrolase with valpromide (2- propylpentanamide) · VPR A1 · binds TRP117, ASP192, ILE193, PHE196, LEU215, PHE244, TYR251, TRP284 and 6 more
  • 5AIG · Discovery and characterization of thermophilic limonene-1,2-epoxide hydrolases from hot… · VPR A200 · binds TRP32, ASN34, PHE53, MET54, TRP62, ARG78, ASP80, PHE82 and 7 more

Residues it binds most

PHE 14, LEU 10, ASP 14, TRP 8, ILE 14, TYR 10, ARG 8, ASN 8, HIS 6, VAL 6 (residue and the binding sites it lines).

Found with

  • DMS · Dimethyl sulfoxide
  • EDO · 1,2-ethanediol
  • MES · 2-(N-morpholino)-ethanesulfonic acid
  • PG4 · Tetraethylene glycol

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