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Ligand · C1E

C1E · (2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid

C1E, (2Z,4E)-3-chloro-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid (C12 H9 Cl O4, 252.7 g/mol), in the MolNFT structures on GenesisL1: bound in 4 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it…

Component
C1E
Formula
C12 H9 Cl O4
Class
ligand
Structures
4
PDB entries
2

Binding sites

C1E in 4 structures; the first of them:

  • 2RHT · Crystal Structure of the S112A mutant of a C-C hydrolase, BphD from Burkholderia… · C1E A287 · binds GLY41, GLY42, GLY43, ALA46, ASN51, ASN111, ALA112, MET113 and 11 more
  • 4LXH · Crystal Structure of the S105A mutant of a carbon-carbon bond hydrolase, DxnB2 from… · C1E A301 · binds GLY33, GLY34, GLY35, ALA38, ASN43, ASN104, ALA105, MET106 and 7 more
  • 2RHT · Crystal structure of the S112A mutant of a C-C hydrolase, bphd from burkholderia… · C1E A287 · binds GLY41, GLY42, GLY43, ALA46, ASN51, ASN111, ALA112, MET113 and 11 more
  • 4LXH · Crystal structure of the S105A mutant of a carbon-carbon bond hydrolase, DXNB2 from… · C1E A301 · binds GLY33, GLY34, GLY35, ALA38, ASN43, ASN104, ALA105, MET106 and 7 more

Residues it binds most

GLY 4, MET 4, ALA 4, ASN 4, LEU 4, HIS 4, PHE 2, TRP 4, ARG 2, ILE 2 (residue and the binding sites it lines).

Found with

  • NA · Sodium ion
  • MLI · Malonate ion

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