Structure of PDB 2r5v Chain B Binding Site BS01

Receptor Information
>2r5v Chain B (length=330) Species: 31958 (Amycolatopsis orientalis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QNFEIDYVEMYVENLEVAAFSWVDKYAFAVAGTSRSADHRSIALRQGQVT
LVLTEPTSDRHPAAAYLQTHGDGVADIAMATSDVAAAYEAAVRAGAEAVR
APGQHAVTTATIGGFGDVVHTLIQRELPPGFTGSMVDLLGIDHFAICLNA
GDLGPTVEYYERALGFRQIFDEHIVVGAQAMNSTVVQSASGAVTLTLIEP
DRNADPGQIDEFLKDHQGAGVQHIAFNSNDAVRAVKALSERGVEFLKTPG
AYYDLLGERITLQTHSLDDLRATNVLADEDHGGQLFQIFTASTHPRHTIF
FEVIERQGAGTFGSSNIKALYEAVELERTG
Ligand information
Ligand IDCO
InChIInChI=1S/Co/q+2
InChIKeyXLJKHNWPARRRJB-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Co+2]
CACTVS 3.341[Co++]
FormulaCo
NameCOBALT (II) ION
ChEMBL
DrugBankDB14205
ZINC
PDB chain2r5v Chain B Residue 4114 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2r5v Two roads diverged: the structure of hydroxymandelate synthase from Amycolatopsis orientalis in complex with 4-hydroxymandelate.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H161 H241 E320
Binding residue
(residue number reindexed from 1)		H143 H223 E302
Annotation score1
Enzymatic activity
Enzyme Commision number 1.13.11.46: 4-hydroxymandelate synthase.
Gene Ontology
Molecular Function
GO:0003868 4-hydroxyphenylpyruvate dioxygenase activity
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0016701 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen
GO:0046872 metal ion binding
GO:0050585 4-hydroxymandelate synthase activity
Biological Process
GO:0006572 tyrosine catabolic process
GO:0009072 aromatic amino acid metabolic 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:2r5v, PDBe:2r5v, PDBj:2r5v
PDBsum2r5v
PubMed18215022
UniProtO52791|HMAS_AMYOR 4-hydroxymandelate synthase

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