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Ligand · CB9

CB9 · (2R,4S)-2-[(1R)-1-{[(2S)-2-carboxy-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid

CB9, (2R,4S)-2-[(1R)-1-{[(2S)-2-carboxy-2-phenylacetyl]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid (C17 H20 N2 O6 S, 380.4 g/mol), in the MolNFT structures on GenesisL1: bound in 8 records (4 PDB entries). Every…

Component
CB9
Formula
C17 H20 N2 O6 S
Class
ligand
Structures
8
PDB entries
4

Binding sites

CB9 in 8 structures; the first of them:

  • 3N8R · Crystal Structure of BlaC-E166A covalently bound with Carbenicillin · CB9 A308 · binds CYS83, SER84, LYS87, ILE117, SER142, ASN186, THR232, ARG236 and 5 more
  • 3OCL · Crystal structure of penicillin-binding protein 3 from Pseudomonas aeruginosa in complex… · CB9 A1 · binds GLY293, SER294, LYS297, ARG331, VAL333, SER349, ASN351, TYR409 and 9 more
  • 3ZGA · Crystal Structure of Penicillin-Binding Protein 4 from Listeria monocytogenes in the… · CB9 B801 · binds GLY393, SER394, LYS397, VAL432, ASN448, SER449, ASN451, THR561 and 9 more
  • 6SYN · Crystal structure of Y. pestis penicillin-binding protein 3 · CB9 A603 · binds GLY305, SER306, LYS309, VAL343, SER358, ASN360, PHE416, TYR418 and 10 more
  • 3N8R · Crystal structure of blac-E166A covalently bound with carbenicillin · CB9 A308 · binds CYS83, SER84, LYS87, ILE117, SER142, ASN186, THR232, ARG236 and 5 more
  • 3OCL · Crystal structure of penicillin-binding protein 3 from pseudomonas aeruginosa in complex… · CB9 A1 · binds GLY293, SER294, LYS297, ARG331, VAL333, SER349, ASN351, TYR409 and 9 more
  • 3ZGA · Crystal structure of peniscillin-binding protein 4 from listeria monocytogenes in the… · CB9 B801 · binds GLY393, SER394, LYS397, VAL432, ASN448, SER449, ASN451, THR561 and 9 more
  • 6SYN · Crystal structure of Y. pestis penicillin-binding protein 3 · CB9 A603 · binds GLY305, SER306, LYS309, VAL343, SER358, ASN360, PHE416, TYR418 and 10 more

Residues it binds most

SER 8, THR 8, GLY 8, LYS 8, TYR 4, ASN 8, VAL 6, ALA 4, ARG 4, PHE 4 (residue and the binding sites it lines).

Found with

  • GOL · Glycerol
  • CL · Chloride ion
  • PO4 · Phosphate ion
  • ACT · Acetate ion

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