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Ligand · J00

J00 · 2-[(3S)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid

J00, 2-[(3S)-1-oxidanyl-3H-2,1-benzoxaborol-3-yl]prop-2-enoic acid (C10 H9 B O4, 204.0 g/mol), in the MolNFT structures on GenesisL1: bound in 2 records (1 PDB entry). Every binding site with its residues within 4.5 Å, the residues it…

Component
J00
Formula
C10 H9 B O4
Class
ligand
Structures
2
PDB entries
1

Binding sites

J00 in 2 structures; the first of them:

  • 7E9A · Crystal structure of KPC-2 in complex with (S)-2-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxabor… · J00 A301 · binds CYS69, SER70, LYS73, TRP105, SER130, ASN132, GLU166, ASN170 and 6 more
  • 7E9A · Crystal structure of kpc-2 in complex with (S)-2-(1-hydroxy-1,3… · J00 A301 · binds CYS69, SER70, LYS73, TRP105, SER130, ASN132, GLU166, ASN170 and 6 more

Residues it binds most

THR 8, ASN 8, LYS 8, SER 8, CYS 8, ARG 8, GLY 8, TRP 8, GLU 4 (residue and the binding sites it lines).

Found with

  • ACY · Acetic acid
  • GOL · Glycerol
  • PEG · Di(hydroxyethyl)ether

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