Structure of PDB 4ne0 Chain A Binding Site BS01

Receptor Information
>4ne0 Chain A (length=337) Species: 58340 (Streptomyces lavendulae subsp. lavendulae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STPSYSLTPAEASAVAELTLELAAAYGSFGDPVLLRDLPRLAARLPEGVQ
DFLREFKLADRHGHTVIRGHDFDQRRIGPTPDHWRGRVRPGPEFPEELLL
MLYSALLGEPFGWATQQDGHLVHDIFPIRSHENDQLGMGSKQLLTWHTEA
AFHPYRSDYLILGALRNPDHVPTTVGELDLSSLSAEDIDVLFEPRYHIAP
DESHLPKNNTIATEEEAARFATIQRMIDERPLGPLLYGSRLDPYMRLDPY
FTSVPQDDTDARRAYDALFKVVDSGMREVVADQGDVLFIDNHRAVHGRLP
FQARYDGTDRWLKRVCVTSDLRRSREMRATSATRLLG
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 chain4ne0 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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PDB4ne0 Biosynthesis of streptolidine involved two unexpected intermediates produced by a dihydroxylase and a cyclase through unusual mechanisms
Resolution2.17 Å
Binding residue
(original residue number in PDB)		H154 E156 H303
Binding residue
(residue number reindexed from 1)		H147 E149 H296
Annotation score1
Enzymatic activity
Enzyme Commision number 1.14.11.41: L-arginine hydroxylase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0102525 2-oxoglutarate, L-arginine oxygenase (succinate-forming) activity

View graph for
Molecular Function
External links
PDB RCSB:4ne0, PDBe:4ne0, PDBj:4ne0
PDBsum4ne0
PubMed24505011
UniProtG9MBV2

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