GL1X · GenesisL1 explorer

Ligand · SOX

SOX · N-[(2S,4S,6R)-2-(dihydroxymethyl)-4-hydroxy-3,3-dimethyl-7-oxo-4lambda~4~-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-phenylac etamide

SOX, N-[(2S,4S,6R)-2-(dihydroxymethyl)-4-hydroxy-3,3-dimethyl-7-oxo-4lambda~4~-thia-1-azabicyclo[3.2.0]hept-6-yl]-2-phenylac etamide (C16 H20 N2 O5 S, 352.4 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries).…

Component
SOX
Formula
C16 H20 N2 O5 S
Class
ligand
Structures
4
PDB entries
2

Binding sites

SOX in 4 structures; the first of them:

  • 1GM8 · Crystal structures of penicillin acylase enzyme-substrate complexes: Structural insights… · SOX B1559 · binds MET142, PHE146, SER149, SER1, PRO22, GLN23, PHE24, SER67 and 5 more
  • 1GM9 · Crystal structures of penicillin acylase enzyme-substrate complexes: Structural insights… · SOX B1569 · binds MET142, PHE146, SER1, PRO22, GLN23, PHE24, PHE57, SER67 and 9 more
  • 1GM8 · Crystal structures of penicillin acylase enzyme-substrate complexes: structural insights… · SOX B1559 · binds MET142, PHE146, SER149, SER1, PRO22, GLN23, PHE24, SER67 and 5 more
  • 1GM9 · Crystal structures of penicillin acylase enzyme-substrate complexes: structural insights… · SOX B1569 · binds MET142, PHE146, SER1, PRO22, GLN23, PHE24, PHE57, SER67 and 9 more

Residues it binds most

PHE 4, SER 4, ALA 4, ASN 2, GLN 4, ILE 4, MET 4, PRO 4, THR 4, ARG 2 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • EDO · 1,2-ethanediol

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