Structure of PDB 3fg3 Chain B Binding Site BS01

Receptor Information
>3fg3 Chain B (length=682) Species: 47982 (Plexaura homomalla) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HAIYNVEVETGDREHAGTDATITIRITGAKGRTDYLKLDKGSFEAGSKEQ
YTVQGFDVGDIQLIELHSDGGGYWSGDPDWFVNRVIIISSTQDRVYSFPC
FRWVIKDMVLFPGEATLPFNEVPAIVSEQRQKELEQRKLTYQWDYVSDDM
PGNIKAKTHDDLPRDVQFTDEKSRSYQESRKAALVNLGIGSLFTMFENWD
SYDDYHILYRNWILGGTPNMADRWHEDRWFGYQFLNGANPVILTRCDALP
SNFPVTNEHVNASLDRGKNLDEEIKDGHIYIVDFKVLVGAKSYGGPVLED
IGYKADIRYCAAPLALFYVNKLGHLMPIAIQINQEPGPENPIWTPHEENE
HDWMMAKFWLGVAESNFHQLNTHLLRTHLTTESFALSTWRNLASAHPIFK
LLQPHIYGVLAIDTIGRKELWGSGGIVDQSLSLGGGGHVTFMEKCFKEVN
LQDYHLPNALKKRGVDDPSKLPGFYYRDDGLALWEAIETFIGEIIAIFYK
NDDDVKRDNEIQSWIYDVHKNGWRVNPGHQDHGVPASFESREQLKEVLTS
LVFTFSCQHAAVNFSQKDHYGFTPNAPAILRHPPPKKKGEATLQSILSTL
PSKSQAAKAIATVYILTKFSEDERYLGNYSATAWEDKDALDAINRFQDKL
EDISKKIKQRNENLEVPYIYLLPERIPNGTAI
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 chain3fg3 Chain B Residue 1500 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3fg3 The 1.85 A structure of an 8R-lipoxygenase suggests a general model for lipoxygenase product specificity.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		H757 H762 H943 N947 I1066
Binding residue
(residue number reindexed from 1)		H373 H378 H559 N563 I682
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H757 H762 H943 N947 I1066
Catalytic site (residue number reindexed from 1) H373 H378 H559 N563 I682
Enzyme Commision number 1.13.11.40: arachidonate 8-lipoxygenase.
4.2.1.-
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016702 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
GO:0046872 metal ion binding
Biological Process
GO:0034440 lipid oxidation

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Molecular Function
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Biological Process
External links
PDB RCSB:3fg3, PDBe:3fg3, PDBj:3fg3
PDBsum3fg3
PubMed19594169
UniProtO16025|AOSL_PLEHO Allene oxide synthase-lipoxygenase protein

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