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Ligand · KRP

KRP · 3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile

KRP, 3-methyl-5-{[5-(1-methylethyl)-2,6-dioxo-3-propyl-1,2,3,6-tetrahydropyrimidin-4-yl]carbonyl}benzonitrile (C19 H21 N3 O3, 339.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with…

Component
KRP
Formula
C19 H21 N3 O3
Class
ligand
Structures
2
PDB entries
1

Binding sites

KRP in 2 structures; the first of them:

  • 3LAM · Crystal structure of HIV-1 reverse transcriptase in complex with N1-propyl… · KRP A561 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL179, TYR181 and 10 more
  • 3LAM · Crystal structure of HIV-1 reverse transcriptase in complex with N1-propyl… · KRP A561 · binds PRO95, LEU100, LYS101, LYS102, LYS103, VAL106, VAL179, TYR181 and 10 more

Residues it binds most

LEU 2, LYS 2, TYR 2, VAL 2, PRO 2, GLY 2, HIS 2, PHE 2, TRP 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion

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