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Ligand · 0KJ

0KJ · [(2S)-5-oxopyrrolidin-2-yl]methyl [(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate

0KJ, [(2S)-5-oxopyrrolidin-2-yl]methyl [(2S,3R)-4-{(1,3-benzothiazol-6-ylsulfonyl)[(2S)-2-methylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate (C28 H36 N4 O6 S2, 588.7 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records…

Component
0KJ
Formula
C28 H36 N4 O6 S2
Class
ligand
Structures
2
PDB entries
1

Binding sites

0KJ in 2 structures; the first of them:

  • 4DJR · Crystal Structure of wild-type HIV-1 Protease in Complex with MKP97 · 0KJ A101 · binds LEU23, ASP25, GLY27, ALA28, ASP29, GLY48, GLY49, ILE50 and 18 more
  • 4DJR · Crystal structure of wild-type HIV-1 protease in complex with MKP97 · 0KJ A101 · binds LEU23, ASP25, GLY27, ALA28, ASP29, GLY48, GLY49, ILE50 and 18 more

Residues it binds most

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

Found with

  • PO4 · Phosphate ion

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