Structure of PDB 6a08 Chain A Binding Site BS01

Receptor Information

>6a08 Chain A (length=335) Species: 31958 (Amycolatopsis orientalis)

TYVSLADLERAARDVLPGEIFDFLAGGSGTEASLVANRTALERVFVIPRM
LRDLTDVTTEIDIFGRRAALPMAVAPVAYQRLFHPEGELAVARAARDAGV
PYTICTLSSVSLEEIAAVGGRPWFQLYWLRDEKRSLDLVRRAEDAGCEAI
VFTVDVPWMGRRLRDMRNGFALPEWVTAANFDEFAPATWESVEAVRAHTD
LPVVLKGILAVEDARRAVDAGAGGIVVSNHGGRQLDGAVPGIEMLGEIVA
AVSGGCEVLVDGGIRSGGDVLKATALGASAVLVGRPVMWALAAAGQDGVR
QLLELLAEEVRDAMGLAGCESVGAARRLNTKLGVV

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 6a08 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6a08 The flavin mononucleotide cofactor in alpha-hydroxyacid oxidases exerts its electrophilic/nucleophilic duality in control of the substrate-oxidation level.
• Resolution: 1.547 Å
• Binding residue (original residue number in PDB): D283 G284 I286 L304
• Binding residue (residue number reindexed from 1): D261 G262 I264 L282
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): Y128 D156 H252
• Catalytic site (residue number reindexed from 1): Y127 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

External links

• PDB: RCSB:6a08, PDBe:6a08, PDBj:6a08
• PDBsum: 6a08
• PubMed: 31588923
• UniProt: O52792|HMO_AMYOR 4-hydroxymandelate oxidase (Gene Name=hmo)