Ligand · K57
K57 · (4R)-N-tert-butyl-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazoli dine-4-carboxamide
K57, (4R)-N-tert-butyl-3-{(2S,3S)-2-hydroxy-3-[(3-hydroxy-2-methylbenzoyl)amino]-4-phenylbutanoyl}-5,5-dimethyl-1,3-thiazoli dine-4-carboxamide (C28 H37 N3 O5 S, 527.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2…
- Component
- K57
- Formula
- C28 H37 N3 O5 S
- Class
- ligand
- Structures
- 4
- PDB entries
- 2
Binding sites
K57 in 4 structures; the first of them:
- 1MRW · Structure of HIV protease (Mutant Q7K L33I L63I) complexed with KNI-577 · K57 A1001 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
- 1MRX · Structure of HIV protease (Mutant Q7K L33I L63I V82F I84V ) complexed with KNI-577 · K57 B1001 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 21 more
- 1MRW · Structure of HIV protease (mutant Q7K L33I L63I) complexed with kni- 577 · K57 A1001 · binds ARG8, LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32 and 22 more
- 1MRX · Structure of HIV protease (mutant Q7K L33I L63I V82F I84V ) complexed with kni-577 · K57 B1001 · binds LEU23, ASP25, GLY27, ALA28, ASP29, ASP30, VAL32, ILE47 and 21 more
Residues it binds most
ASP 4, GLY 4, ILE 4, VAL 4, ALA 4, LEU 4, PRO 4, ARG 2, PHE 2, THR 2 (residue and the binding sites it lines).
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