Structure of PDB 1rov Chain A Binding Site BS01

Receptor Information
>1rov Chain A (length=836) Species: 3847 (Glycine max) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GHKIKGTVVLMRKNVLDVNSVTSVTLDTLTAFLGRSVSLQLISATKADAN
GKGKLGKATFLEGIITSLPTLGAGQSAFKINFEWDDGSGIPGAFYIKNFM
QTEFFLVSLTLEDIPNHGSIHFVCNSWIYNAKLFKSDRIFFANQTYLPSE
TPAPLVKYREEELHNLRGDGTGERKEWERIYDYDVYNDLGDPDKGENHAR
PVLGGNDTFPYPRRGRTGRKPTRKDPNSESRSNDVYLPRDEAFGHLKSSD
FLTYGLKSVSQNVLPLLQSAFDLNFTPREFDSFDEVHGLYSGGIKLPTDI
ISKISPLPVLKEIFRTDGEQALKFPPPKVIQVSKSAWMTDEEFAREMLAG
VNPNLIRCLKDFPPRSKLDSQVYGDHTSQITKEHLEPNLEGLTVDEAIQN
KRLFLLDHHDPIMPYLRRINATSTKAYATRTILFLKNDGTLRPLAIELSL
PHPQGDQSGAFSQVFLPADEGVESSIWLLAKAYVVVNDSCYHQLVSHWLN
THAVVEPFIIATNRHLSVVHPIYKLLHPHYRDTMNINGLARLSLVNDGGV
IEQTFLWGRYSVEMSAVVYKDWVFTDQALPADLIKRGMAIEDPSCPHGIR
LVIEDYPYTVDGLEIWDAIKTWVHEYVFLYYKSDDTLREDPELQACWKEL
VEVGHGDKKNEPWWPKMQTREELVEACAIIIWTASALHAAVNFGQYPYGG
LILNRPTLSRRFMPEKGSAEYEELRKNPQKAYLKTITPKFQTLIDLSVIE
ILSRHASDEVYLGERDNPNWTSDTRALEAFKRFGNKLAQIENKLSERNND
EKLRNRCGPVQMPYTLLLPSSKEGLTFRGIPNSISI
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 chain1rov Chain A Residue 858 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1rov Interaction between non-heme iron of lipoxygenases and cumene hydroperoxide: basis for enzyme activation, inactivation, and inhibition
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H518 H523 H709 N713 I857
Binding residue
(residue number reindexed from 1)		H497 H502 H688 N692 I836
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H518 H523 H709 N713 I857
Catalytic site (residue number reindexed from 1) H497 H502 H688 N692 I836
Enzyme Commision number 1.13.11.58: linoleate 9S-lipoxygenase.
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
GO:0046872 metal ion binding
GO:0051213 dioxygenase activity
GO:1990136 linoleate 9S-lipoxygenase activity
Biological Process
GO:0006633 fatty acid biosynthetic process
GO:0031408 oxylipin biosynthetic process
GO:0034440 lipid oxidation
Cellular Component
GO:0005737 cytoplasm

View graph for
Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1rov, PDBe:1rov, PDBj:1rov
PDBsum1rov
PubMed14971933
UniProtP09186|LOX3_SOYBN Seed linoleate 9S-lipoxygenase-3 (Gene Name=LOX1.3)

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