Structure of PDB 5zzz Chain A Binding Site BS02

Receptor Information
>5zzz Chain A (length=332) Species: 31958 (Amycolatopsis orientalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YVSLADLERAARDVLPGEIFDFLAGGSGTEASLVANRTALERVFVIPRML
RDLTDVTTEIDIFGRRAALPMAVAPVAYQRLFHPEGELAVARAARDAGVP
YTICTLSSVSLEEIAAVGGRPWFQLCWLRDEKRSLDLVRRAEDAGCEAIV
FTVDVPWMGRRLRDMRNGFALPEWVTAANFFAPATWESVEAVRAHTDLPV
VLKGILAVEDARRAVDAGAGGIVVSNHGGRQLDGAVPGIEMLGEIVAAVS
GGCEVLVDGGIRSGGDVLKATALGASAVLVGRPVMWALAAAGQDGVRQLL
ELLAEEVRDAMGLAGCESVGAARRLNTKLGVV
Ligand information
Ligand ID173
InChIInChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)
InChIKeyFAQJJMHZNSSFSM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)C(=O)C(=O)O
CACTVS 3.341OC(=O)C(=O)c1ccccc1
ACDLabs 10.04O=C(C(=O)O)c1ccccc1
FormulaC8 H6 O3
NameBENZOYL-FORMIC ACID;
OXO(PHENYL)ACETIC ACID
ChEMBLCHEMBL950
DrugBankDB02279
ZINCZINC000001529359
PDB chain5zzz Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5zzz The flavin mononucleotide cofactor in alpha-hydroxyacid oxidases exerts its electrophilic/nucleophilic duality in control of the substrate-oxidation level.
Resolution1.446 Å
Binding residue
(original residue number in PDB)		A79 L108 M160 H252 R255
Binding residue
(residue number reindexed from 1)		A77 L106 M158 H227 R230
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) C128 D156 H252
Catalytic site (residue number reindexed from 1) C126 D154 H227
Enzyme Commision number 1.1.3.46: 4-hydroxymandelate oxidase.
Gene Ontology
Molecular Function
GO:0004459 L-lactate dehydrogenase activity
GO:0010181 FMN binding
GO:0016491 oxidoreductase activity
GO:0016899 oxidoreductase activity, acting on the CH-OH group of donors, oxygen as acceptor
Biological Process
GO:0017000 antibiotic biosynthetic process
GO:0033072 vancomycin biosynthetic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:5zzz, PDBe:5zzz, PDBj:5zzz
PDBsum5zzz
PubMed31588923
UniProtO52792|HMO_AMYOR 4-hydroxymandelate oxidase (Gene Name=hmo)

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