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Ligand · OAF

OAF · 2,2-difluoro-3,3-dihydroxybutanedioic acid

OAF, 2,2-difluoro-3,3-dihydroxybutanedioic acid (C4 H4 F2 O6, 186.1 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 binds most and the…

Component
OAF
Formula
C4 H4 F2 O6
Class
ligand
Structures
4
PDB entries
2

Binding sites

OAF in 4 structures; the first of them:

  • 3FA3 · Crystal structure of 2,3-dimethylmalate lyase, a PEP mutase/isocitrate lyase superfamily… · OAF A501 · binds TYR44, THR46, GLY47, ALA48, ASP59, ASP87, HIS114, CYS124 and 8 more
  • 3M0J · Structure of oxaloacetate acetylhydrolase in complex with the inhibitor… · OAF A501 · binds TYR111, THR113, GLY114, ALA115, ASP126, ASP155, HIS182, CYS192 and 8 more
  • 3FA3 · Crystal structure of 2,3-dimethylmalate lyase, a pep MUTASE/ISOCITRATE lyase superfamily… · OAF A501 · binds TYR44, THR46, GLY47, ALA48, ASP59, ASP87, HIS114, CYS124 and 8 more
  • 3M0J · Structure of oxaloacetate acetylhydrolase in complex with the inhibitor… · OAF A501 · binds TYR111, THR113, GLY114, ALA115, ASP126, ASP155, HIS182, CYS192 and 8 more

Residues it binds most

ASP 30, GLY 30, HIS 30, ARG 30, ALA 30, ASN 30, CYS 30, GLU 30, THR 30, TYR 30 (residue and the binding sites it lines).

Found with

  • MN · Manganese (II) ion
  • CA · Calcium ion
  • GOL · Glycerol

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