Structure of PDB 3bnc Chain A Binding Site BS01

Receptor Information
>3bnc Chain A (length=823) Species: 3847 (Glycine max) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MFSAGHKIKGTVVLMPKNNLNAFLGRSVSLQLISATKADAHGKGKVGKDT
FLEGINTSLPTLGAGESAFNIHFEWDGSMGIPGAFYIKNYMQVEFFLKSL
TLEAGTIRFVCNSWVYNTKLYKSVRIFFANHTYVPSETPAPLVEYREEEL
KSLRGNGTGERKEYDRIYDYDVYNDLGNPDKSEKLARPVLGGSSTFPYPR
RGRTGRGPTVTDPNTEKQGEVFYVPRDENLGHLKSKDALEIGTKSLSQIV
QPAFESAFDLKSTPIEFHSFQDVHDLYEGGIKLPRDVISTIIPLPVIKEL
YRTDGQHILKFPQPHVVQVSQSAWMTDEEFAREMIAGVNPCVIRGLEEFP
PKSNLDPAIYGDQSSKITADSLDLDGYTMDEALGSRRLFMLDYHDIFMPY
VRQINQLNSAKTYATRTILFLREDGTLKPVAIELSLPHSAGDLSAAVSQV
VLPAKEGVESTIWLLAKAYVIVNDSCYHQLMSHWLNTHAAMEPFVIATHR
HLSVLHPIYKLLTPHYRNNMNINALARQSLINANGIGETTFLPSKYSVEM
SSAVYKNWVFTDQALPADLIKRGVAIKDPSTPHGVRLLIEDYPYAADGLE
IWAAIKTWVQEYVPLYYARDDDVKNDSELQHWWKEAVEKGHGDLKDKPWW
PKLQTLEDLVEVCLIIIWIASALHAAVNFGQYPYGGLIMNRPTASRRLLP
EKGTPEYEEMINNHEKAYLRTITSKLPTLISLSVIEILSTHASDEVYLGQ
RDNPHWTSDSKALQAFQKFGNKLKEIEEKLVRRNNDPSLQGNRLGPVQLP
YTLLYPSSEEGLTFRGIPNSISI
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 chain3bnc Chain A Residue 840 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3bnc Enzyme structure and dynamics affect hydrogen tunneling: the impact of a remote side chain (I553) in soybean lipoxygenase-1.
Resolution1.65 Å
Binding residue
(original residue number in PDB)		H499 H504 H690 N694 I839
Binding residue
(residue number reindexed from 1)		H483 H488 H674 N678 I823
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H499 H504 H690 N694 I839
Catalytic site (residue number reindexed from 1) H483 H488 H674 N678 I823
Enzyme Commision number 1.13.11.12: linoleate 13S-lipoxygenase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016165 linoleate 13S-lipoxygenase activity
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:0102299 linolenate 9R-lipoxygenase activity
Biological Process
GO:0006633 fatty acid biosynthetic process
GO:0019395 fatty acid oxidation
GO:0031408 oxylipin biosynthetic process
GO:0034440 lipid oxidation
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3bnc, PDBe:3bnc, PDBj:3bnc
PDBsum3bnc
PubMed18216254
UniProtP08170|LOX1_SOYBN Seed linoleate 13S-lipoxygenase-1 (Gene Name=LOX1.1)

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