Structure of PDB 4q5o Chain A Binding Site BS01

Receptor Information
>4q5o Chain A (length=282) Species: 317655 (Sphingopyxis alaskensis RB2256) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QDLYPSRQRADAEMRPRLDPVVHSEWTNDAPISARQAAAFDRDGYIVLED
IFSADEVAFLQKAAGNLLADPAALDADTIVTEPQSNEIRSIFEIHAQSPV
MARLAADARLADVARFLLGDEVYIHQSRLNYKPGFKGREFYWHSDFETWH
VEDGMPRMRALSMSVLLAENTPHNGPLMVIPGSHRTYLTCGVPDEESLAE
LAHRHGIVAPTGKPGTVILFDCNLMHGSNGNITPFPRANAFLVYNAVSNR
LEKPFGVEKPRPWFLARRGEPAALRVERGPLV
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain4q5o Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4q5o Crystal structure of the ectoine hydroxylase, a snapshot of the active site.
Resolution2.64 Å
Binding residue
(original residue number in PDB)		H144 D146 H245
Binding residue
(residue number reindexed from 1)		H143 D145 H226
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.11.55: ectoine hydroxylase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016706 2-oxoglutarate-dependent dioxygenase activity
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity

View graph for
Molecular Function
External links
PDB RCSB:4q5o, PDBe:4q5o, PDBj:4q5o
PDBsum4q5o
PubMed25172507
UniProtQ1GNW5|ECTD_SPHAL Ectoine dioxygenase (Gene Name=ectD)

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