Structure of PDB 6a1a Chain A Binding Site BS02

Receptor Information
>6a1a Chain A (length=335) Species: 31958 (Amycolatopsis orientalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TYVSLADLERAARDVLPGEIFDFLAGGSGTEASLVANRTALERVFVIPRM
LRDLTDVTTEIDIFGRRAALPMAVAPVAYQRLFHPEGELAVARAARDAGV
PYTICTLSSVSLEEIAAVGGRPWFQLFWLRDEKRSLDLVRRAEDAGCEAI
VFTVDVPWMGRRLRDMRNGFALPEWVTAANFDEFAPATWESVEAVRAHTD
LPVVLKGILAVEDARRAVDAGAGGIVVSNHGGRQLDGAVPGIEMLGEIVA
AVSGGCEVLVDGGIRSGGDVLKATALGASAVLVGRPVMWALAAAGQDGVR
QLLELLAEEVRDAMGLAGCESVGAARRLNTKLGVV
Ligand information
Ligand IDHHH
InChIInChI=1S/C8H8O4/c9-6-3-1-5(2-4-6)7(10)8(11)12/h1-4,7,9-10H,(H,11,12)/t7-/m0/s1
InChIKeyYHXHKYRQLYQUIH-ZETCQYMHSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O[C@H](C(O)=O)c1ccc(O)cc1
ACDLabs 10.04O=C(O)C(O)c1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C(C(=O)O)O)O
OpenEye OEToolkits 1.5.0c1cc(ccc1[C@@H](C(=O)O)O)O
CACTVS 3.341O[CH](C(O)=O)c1ccc(O)cc1
FormulaC8 H8 O4
Name(2S)-hydroxy(4-hydroxyphenyl)ethanoic acid
ChEMBL
DrugBankDB07896
ZINCZINC000000388426
PDB chain6a1a 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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PDB6a1a Biochemical and structural explorations of alpha-hydroxyacid oxidases reveal a four-electron oxidative decarboxylation reaction.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		L108 F128 V157 M160 R163 F206 H252 R255
Binding residue
(residue number reindexed from 1)		L107 F127 V156 M159 R162 F184 H230 R233
Annotation score3
Enzymatic activity
Catalytic site (original residue number in PDB) F128 D156 H252
Catalytic site (residue number reindexed from 1) F127 D155 H230
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

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Molecular Function
View graph for
Biological Process
External links
PDB RCSB:6a1a, PDBe:6a1a, PDBj:6a1a
PDBsum6a1a
PubMed31373572
UniProtO52792|HMO_AMYOR 4-hydroxymandelate oxidase (Gene Name=hmo)

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