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Ligand · FER

FER · 3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid

FER, 3-(4-hydroxy-3-methoxyphenyl)-2-propenoic acid (C10 H10 O4, 194.2 g/mol), in the MolNFT structures on GenesisL1: bound in 19 records (13 PDB entries). Every binding site with its residues within 4.5 Å, the residues it binds most and…

Component
FER
Formula
C10 H10 O4
Class
ligand
Structures
19
PDB entries
13

Binding sites

FER in 19 structures; the first of them:

  • 5CXX · Structure of a CE1 ferulic acid esterase, AmCE1/Fae1A, from Anaeromyces mucronatus in… · FER A301 · binds GLY64, LEU65, PHE114, TYR119, SER156, MET157, ARG160, ALA182 and 7 more
  • 5X14 · Crystal structure of Bacillus subtilis PadR in complex with ferulic acid · FER A201 · binds GLU29, GLN32, PHE33, LEU131, SER134, HIS154, VAL157, LEU158 and 2 more
  • 6ATJ · Recombinant horseradish peroxidase C complex with ferulic acid · FER A601 · binds ARG38, PHE68, GLY69, SER73, LEU138, PRO139, ALA140, PRO141 and 3 more
  • 6HOP · Human protein kinase CK2 alpha in complex with curcumin degradation products · FER A405 · binds VAL53, VAL66, LYS68, ILE95, PHE113, GLU114, VAL116, MET163 and 2 more
  • 6HOQ · Human protein kinase CK2 alpha in complex with ferulic acid · FER A404 · binds VAL66, LYS68, ILE95, PHE113, GLU114, VAL116, MET163, ILE174 and 1 more
  • 6HOV · Crystal Structure of BRD4 first bromodomain in complex with ferulic acid · FER A203 · binds TRP81, PRO82, GLN85, VAL87, LEU92, TYR97, CYS136, ASN140 and 1 more
  • 6MBY · Carbonic Anhydrase II in complex with Ferulic Acid · FER A302 · binds GLN92, HIS94, PHE131, LEU198, THR199, THR200, PRO202
  • 7NTD · The structure of the SBP TarP_Csal in complex with ferulate · FER AAA401 · binds PHE13, VAL71, TYR74, HIS124, ARG148, PRO150, PRO169, VAL170 and 8 more
  • 7Z2U · Wild-type ferulic acid esterase from Lactobacillus buchneri in complex with ferulate · FER A401 · binds GLY37, PHE38, SER114, LEU115, ALA140, PHE143, GLU146, ILE147 and 7 more
  • 8IYB · Structure insight into substrate recognition and catalysis by feruloyl esterase from… · FER A303 · binds GLY38, CYS39, SER118, SER119, SER120, MET123, SER156, SER157 and 8 more
  • 5X14 · Crystal structure of bacillus subtilis padr in complex with ferulic acid · FER A201 · binds GLU29, GLN32, PHE33, LEU131, SER134, HIS154, VAL157, LEU158 and 2 more
  • 6ATJ · Recombinant horseradish peroxidase C complex with ferulic acid · FER A601 · binds ARG38, PHE68, GLY69, PRO139, ALA140, PHE142, PHE179
  • 6G21 · Crystal structure of an esterase from aspergillus oryzae · FER A608 · binds ARG395
  • 6HOP · Human protein kinase CK2 alpha in complex with curcumin degradation products · FER A405 · binds VAL53, VAL66, LYS68, ILE95, PHE113, GLU114, VAL116, MET163 and 2 more
  • 6HOQ · Human protein kinase CK2 alpha in complex with ferulic acid · FER A404 · binds VAL66, LYS68, ILE95, PHE113, GLU114, VAL116, MET163, ILE174 and 1 more
  • 6HOV · Crystal structure of BRD4 first bromodomain in complex with ferulic acid · FER A203 · binds TRP81, PRO82, GLN85, VAL87, LEU92, TYR97, CYS136, ASN140 and 1 more
  • 6MBY · Carbonic anhydrase II in complex with ferulic acid · FER A302 · binds GLN92, HIS94, PHE131, LEU198, THR199, THR200, PRO202
  • 6YUX · Crystal structure of malus domestica double bond reductase (mddbr) ternary complex · FER A404 · binds TYR59, ALA74, TYR264, LEU289, PHE291
  • 7ATJ · Recombinant horseradish peroxidase C1A complex with cyanide and ferulic acid · FER A701 · binds ASN13, ASN16, ILE17, ASP20

Residues it binds most

PHE 19, VAL 17, SER 11, ILE 13, LEU 16, PRO 14, ALA 15, HIS 14, ARG 14, MET 11 (residue and the binding sites it lines).

Found with

  • EDO · 1,2-ethanediol
  • SO4 · Sulfate ion
  • CA · Calcium ion
  • GOL · Glycerol
  • HEM · Protoporphyrin IX containing Fe
  • CIY · (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enal
  • GJK · (~{E})-4-(3-methoxy-4-oxidanyl-phenyl)but-3-en-2-one
  • V55 · 4-hydroxy-3-methoxybenzaldehyde
  • ZN · Zinc ion
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose
  • DMS · Dimethyl sulfoxide
  • NAP · Nadp nicotinamide-adenine-dinucleotide phosphate

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