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Ligand · 0Q4

0Q4 · N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide

0Q4, N-[(2R)-2-({N~5~-[amino(iminio)methyl]-L-ornithyl-L-valyl}amino)-4-methylpentyl]-L-phenylalanyl-L-alpha-glutamyl-L-alanyl-L-norleucinamide (C40 H70 N11 O8 +1, 833.0 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (3…

Component
0Q4
Formula
C40 H70 N11 O8 +1
Class
ligand
Structures
3
PDB entries
3

Binding sites

0Q4 in 3 structures; the first of them:

  • 5KQZ · Protease E35D-CaP2 · 0Q4 B101 · binds ARG8, LEU23, ASN25, GLY27, ALA28, ASP29, ASP30, VAL32 and 29 more
  • 6O48 · Wild-type HIV-1 protease in complex with a substrate analog CA-p2 · 0Q4 B201 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 28 more
  • 6O5X · Crystal Structure of multi-drug resistant HIV-1 protease PR-S17 with substrate analog… · 0Q4 B101 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 28 more

Residues it binds most

ILE 4, ASP 4, GLY 4, VAL 4, LEU 4, ALA 4, ARG 4, PRO 4, LYS 4, SER 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • CL · Chloride ion
  • FMT · Formic acid
  • GOL · Glycerol

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