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Ligand · C9C

C9C · 4-(2-hydroxyethyloxycarbonyl)benzoic acid

C9C, 4-(2-hydroxyethyloxycarbonyl)benzoic acid (C10 H10 O5, 210.2 g/mol), in the MolNFT structures on GenesisL1: bound in 5 records (4 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the…

Component
C9C
Formula
C10 H10 O5
Class
ligand
Structures
5
PDB entries
4

Binding sites

C9C in 5 structures; the first of them:

  • 6JTT · MHETase in complex with BHET · C9C A701 · binds SER131, GLY132, SER225, GLU226, LEU254, ALA257, GLY258, TRP397 and 6 more
  • 7XTT · The structure of engineered TfCut S130A in complex with MHET · C9C B401 · binds ARG86, TYR100, ALA170, MET171, TRP195, ILE218, HIS248
  • 7XTV · The structure of MHET-bound TfCut S130A · C9C A401 · binds GLY99, TYR100, THR101, GLY102, HIS169, ALA170, MET171, TRP195 and 2 more
  • 6JTT · Mhetase in complex with bhet · C9C A701 · binds SER131, GLY132, SER225, GLU226, LEU254, ALA257, GLY258, TRP397 and 6 more
  • 7VVE · Complex structure of a leaf-branch compost cutinase variant in complex with… · C9C A402 · binds GLY94, TYR95, ALA97, HIS164, ALA165, MET166, TRP190, VAL212 and 1 more

Residues it binds most

GLY 8, TRP 9, HIS 9, SER 4, ALA 9, PHE 4, ARG 5, MET 5, TYR 5, GLU 4 (residue and the binding sites it lines).

Found with

  • CA · Calcium ion
  • C8X · bis(2-hydroxyethyl) benzene-1,4-dicarboxylate
  • SO4 · Sulfate ion
  • PEG · Di(hydroxyethyl)ether
  • NA · Sodium ion
  • ACT · Acetate ion
  • EDO · 1,2-ethanediol
  • GOL · Glycerol
  • PG0 · 2-(2-methoxyethoxy)ethanol

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