Structure of PDB 3dy5 Chain A Binding Site BS01

Receptor Information
>3dy5 Chain A (length=1002) Species: 47982 (Plexaura homomalla) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WKNFGFEIFGEKYGQEELEKRIKDEHTPPPDSPVFGGLKLKLKKEKFKTL
FTLGTTLKGFRRATHTVGTGGIGEITIVNDPKFPEHEFFTAGRTFPARLR
HANLKYPDDAGADARSFSIKFADSDSDGPLDIVMNTGEANIFWNSPSLED
FVPVEEGDAAEEYVYKNPYYYYNLVEALRRAPDTFAHLYYYSQVTMPFKA
KDGKVRYCRYRALPGDVDIKEEDESGRLTEEEQRKIWIFSRHENEKRPDD
YLRKEYVERLQKGPVNYRLQIQIHEASPDDTATIFHAGILWDKETHPWFD
LAKVSIKTPLSPDVLEKTAFNIANQPASLGLLEAKSPEDYNSIGELRVAV
YTWVQHLRKLKIGSLNAIYNVEVETGDREHAGTDATITIRITGAKGRTDY
LKLFEAGSKEQYTVQGFDVGDIQLIELHSDGGGSGDPDWFVNRVIIISST
QDRVYSFPCFRWVIKDMVLFPGEATLPFNEVPAIVSEQRQKELEQRKLTY
QWDYVSDDMPGNIKAKTHDDLPRDVQFTDEKSRSYQESRKAALVNLGIGS
LWHEDRWFGYQFLNGANPVILTRCDALPSNFPVTNEHVNASLDRGKNLDE
EIKDGHIYIVDFKVLVGAKSYGGPVLEDIGEADIRYCAAPLALFYVNKLG
HLMPIAIQINQEPGPENPIWTPHEENEHDWMMAKFWLGVAESNFHQLNTH
LLRTHLTTESFALSTWRNLASAHPIFKLLQPHIYGVLAIDTIGRKELIGS
GGIVDQSLSLGGGGHVTFMEKCFKEVNLQDYHLPNALKKRGVDDPSKLPG
FYYRDDGLALWEAIETFIGEIIAIFYKNDDDVKRDNEIQSWIYDVHKNGW
RVNPGHQDHGVPASFESREQLKEVLTSLVFTFSCQHAAVNFSQKNAPAIL
RHPPPKKKGEATLQSILSTLPSKSQAAKAIATVYILTKFSEDERYLGNYS
ATAWEDKDALDAINRFQDKLEDISKKIKQRNENLEVPYIYLLPERIPNGT
AI
Ligand information
Ligand IDFE2
InChIInChI=1S/Fe/q+2
InChIKeyCWYNVVGOOAEACU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Fe+2]
CACTVS 3.341[Fe++]
FormulaFe
NameFE (II) ION
ChEMBL
DrugBankDB14510
ZINC
PDB chain3dy5 Chain A Residue 1099 [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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PDB3dy5 A covalent linker allows for membrane targeting of an oxylipin biosynthetic complex.
Resolution3.51 Å
Binding residue
(original residue number in PDB)		H757 H762 H943 N947 I1066
Binding residue
(residue number reindexed from 1)		H700 H705 H886 N890 I1002
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) T66 H67 N137 Y353 H757 H762 H943 N947 I1066
Catalytic site (residue number reindexed from 1) T64 H65 N135 Y351 H700 H705 H886 N890 I1002
Enzyme Commision number 1.13.11.40: arachidonate 8-lipoxygenase.
4.2.1.-
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0009978 allene oxide synthase activity
GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
GO:0016829 lyase activity
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0047677 arachidonate 8(R)-lipoxygenase activity
GO:0051213 dioxygenase activity
Biological Process
GO:0006631 fatty acid metabolic process
GO:0006633 fatty acid biosynthetic process
GO:0019369 arachidonate metabolic process
GO:0031408 oxylipin biosynthetic process
GO:0034440 lipid oxidation
Cellular Component
GO:0005737 cytoplasm
GO:0016020 membrane

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3dy5, PDBe:3dy5, PDBj:3dy5
PDBsum3dy5
PubMed18785758
UniProtO16025|AOSL_PLEHO Allene oxide synthase-lipoxygenase protein

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