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Ligand · KI2

KI2 · 3-benzyloxycarbonylamino-2-hydroxy-4-phenyl-butyric acid

KI2, 3-benzyloxycarbonylamino-2-hydroxy-4-phenyl-butyric acid (C18 H19 N O5, 329.4 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds…

Component
KI2
Formula
C18 H19 N O5
Class
ligand
Structures
2
PDB entries
2

Binding sites

KI2 in 2 structures; the first of them:

  • 1NH0 · 1.03 a structure of HIV-1 protease: inhibitor binding inside and outside the active site · KI2 I1 · binds LEU23, ASP25, GLY27, ALA28, ILE50, THR80, PRO81, VAL82 and 14 more
  • 1U8G · Crystal structure of a HIV-1 protease in complex with peptidomimetic inhibitor… · KI2 I1 · binds LEU23, ASP25, GLY27, ALA28, ILE50, PRO81, VAL82, ASP25 and 14 more

Residues it binds most

GLY 3, ILE 3, ASP 2, ALA 2, LEU 2, THR 3, VAL 2, GLU 3, PHE 3, PRO 2 (residue and the binding sites it lines).

Found with

  • NH2 · Amino group
  • SO4 · Sulfate ion
  • BME · Beta-mercaptoethanol

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