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Ligand · 1Y6

1Y6 · 4-fluorobenzoic acid

1Y6, 4-fluorobenzoic acid (C7 H5 F O2, 140.1 g/mol), in the MolNFT structures on GenesisL1: bound in 3 records (2 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and the ligands found with it.

Component
1Y6
Formula
C7 H5 F O2
Class
ligand
Structures
3
PDB entries
2

Binding sites

1Y6 in 3 structures; the first of them:

  • 5FP5 · Structure of cyclin-dependent kinase 2 with small-molecule ligand 4- fluorobenzoic acid… · 1Y6 A1297 · binds ILE10, VAL18, ALA31, LYS33, VAL64, PHE80, GLU81, PHE82 and 4 more
  • 7TZN · The crystal structure of WT CYP199A4 bound to 4-fluorobenzoic acid · 1Y6 A501 · binds ARG92, SER95, ILE97, LEU98, VAL181, PHE182, PHE185, SER244 and 3 more
  • 5FP5 · Structure of cyclin-dependent kinase 2 with small-molecule ligand 4- fluorobenzoic acid… · 1Y6 A1297 · binds ILE10, VAL18, ALA31, LYS33, VAL64, PHE80, GLU81, PHE82 and 4 more

Residues it binds most

LEU 5, PHE 3, VAL 5, ALA 3, SER 3, ARG 3, ILE 3, ASP 2, GLU 2, HIS 2 (residue and the binding sites it lines).

Found with

  • ACE · Acetyl group
  • HEM · Protoporphyrin IX containing Fe
  • CL · Chloride ion

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