Structure of PDB 5mef Chain B Binding Site BS01

Receptor Information
>5mef Chain B (length=566) Species: 41431 (Rippkaea orientalis PCC 8801) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVQPSLPQDDTPDQQEQRNRAIAQQREAYQYSETAGILLIKTLPQSEMFS
LKYLIERDKGLVSLIANTLASNIENIFDPFDKLEDFEEMFPLLPKPLVMN
TFRNDRVFARQRIAGPNPMVIERVVDKLPDNFPVTDAMFQKIMFTKKTLA
EAIAQGKLFITNYKGLAELSPGRYEYQKNGTLVQKTKTIAAPLVLYAWKP
EGYRGSLAPIAIQINQQPDPITNPIYTPRDGKHWFIAKIFAQMADGNCHE
AISHLARTHLILEPFVLATANELAPNHPLSVLLKPHFQFTLAINELAREQ
FISAGGYADDLLAGTLEASIAVIKAAIKEYMDNFTEFALPRELARRGVGI
GDVDQRGENFLPDYPYRDDAMLLWNAIEVYVRDYLSLYYQSPVQIRQDTE
LQNWVRRLVSPEGGRVTGLVSNGELNTIEALVAIATQVIFVSGPQHAAVN
YPQYDYMAFIPNMPLATYATPPNKESNISEATILNILPPQKLAARQLELM
RTLCVFYPNRLGYPDTEFVDVRAQQVLHQFQERLQEIEQRIVLCNEKRLE
PYTYLLPSNVPNSTSI
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 chain5mef Chain B Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5mef Lipoxygenase 2 from Cyanothece sp. controls dioxygen insertion by steric shielding and substrate fixation.
Resolution2.357 Å
Binding residue
(original residue number in PDB)		H257 H262 H449 N453 I569
Binding residue
(residue number reindexed from 1)		H254 H259 H446 N450 I566
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H257 H262 H449 N453 I569
Catalytic site (residue number reindexed from 1) H254 H259 H446 N450 I566
Enzyme Commision number 1.13.11.33: arachidonate 15-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:0050473 arachidonate 15-lipoxygenase activity
Biological Process
GO:0034440 lipid oxidation

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Molecular Function
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Biological Process
External links
PDB RCSB:5mef, PDBe:5mef, PDBj:5mef
PDBsum5mef
PubMed28522865
UniProtB7JX99

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