GL1X · GenesisL1 explorer

Ligand · 59J

59J · (2R,5R)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl]-5-methyl-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid

59J, (2R,5R)-2-[(R)-carboxy{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-(4-hydroxyphenyl)acetyl]amino}methyl]-5-methyl-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid (C23 H27 N5 O9 S, 549.5 g/mol), in the MolNFT structures…

Component
59J
Formula
C23 H27 N5 O9 S
Class
ligand
Structures
2
PDB entries
1

Binding sites

59J in 2 structures; the first of them:

  • 5DF9 · Crystal structure of penicillin-binding protein 3 in complex with deacylated product of… · 59J A603 · binds GLY293, SER294, VAL333, SER349, ASN351, THR404, TYR407, TYR409 and 12 more
  • 5DF9 · Crystal structure of penicillin-binding protein 3 in complex with deacylated product of… · 59J A603 · binds GLY293, SER294, VAL333, SER349, ASN351, THR404, TYR407, TYR409 and 12 more

Residues it binds most

TYR 2, GLY 2, SER 2, THR 2, ALA 2, ARG 2, ASN 2, LYS 2, PHE 2, VAL 2 (residue and the binding sites it lines).

Found with

  • SO4 · Sulfate ion
  • GOL · Glycerol

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