Structure of PDB 3fg1 Chain A Binding Site BS02

Receptor Information
>3fg1 Chain A (length=684) Species: 47982 (Plexaura homomalla) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
HHAIYNVEVETGDREHAGTDATITIRITGAKGRTDYLKLDKGSFEAGSKE
QYTVQGFDVGDIQLIELHSDGGGYWSGDPDWFVNRVIIISSTQDRVYSFP
CFRWVIKDMVLFPGEATLPFNEVPAIVSEQRQKELEQRKLTYQWDYVSDD
MPGNIKAKTHDDLPRDVQFTDEKSRSYQESRKAALVNLGIGSLFTMFENW
DSYDDYHILYRNWILGGTPNMADRWHEDRWFGYQFLNGANPVILTRCDAL
PSNFPVTNEHVNASLDRGKNLDEEIKDGHIYIVDFKVLVGAKSYGGPVLE
DIGYKEADIRYCAAPLALFYVNKLGHLMPIAIQINQEPGPENPIWTPHEE
NEHDWMMAKFWLGVAESNFHQLNTHLLRTHLTTESFALSTWRNLASAHPI
FKLLQPHIYGVLAIDTIGRKELIGSGGIVDQSLSLGGGGHVTFMEKCFKE
VNLQDYHLPNALKKRGVDDPSKLPGFYYRDDGLALWEAIETFIGEIIAIF
YKNDDDVKRDNEIQSWIYDVHKNGWRVNPGHQDHGVPASFESREQLKEVL
TSLVFTFSCQHAAVNFSQKDHYGFTPNAPAILRHPPPKKKGEATLQSILS
TLPSKSQAAKAIATVYILTKFSEDERYLGNYSATAWEDKDALDAINRFQD
KLEDISKKIKQRNENLEVPYIYLLPERIPNGTAI
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3fg1 Chain A Residue 1501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB3fg1 The 1.85 A structure of an 8R-lipoxygenase suggests a general model for lipoxygenase product specificity.
Resolution1.85 Å
Binding residue
(original residue number in PDB)		H387 G389 D452 D454
Binding residue
(residue number reindexed from 1)		H16 G18 D78 D80
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H757 H762 H943 N947 I1066
Catalytic site (residue number reindexed from 1) H375 H380 H561 N565 I684
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3fg1, PDBe:3fg1, PDBj:3fg1
PDBsum3fg1
PubMed19594169
UniProtO16025|AOSL_PLEHO Allene oxide synthase-lipoxygenase protein

[Back to BioLiP]