Structure of PDB 5med Chain A Binding Site BS03

Receptor Information
>5med Chain A (length=569) 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
EGFGDYRGSLAPIAIQINQQPDPITNPIYTPRDGKHWFIAKIFAQMADGN
CHEAISHLARTHLILEPFVLATANELAPNHPLSVLLKPHFQFTLAINELA
REQLISAGGYADDLLAGTLEASIAVIKAAIKEYMDNFTEFALPRELARRG
VGIGDVDQRGENFLPDYPYRDDAMLLWNAIEVYVRDYLSLYYQSPVQIRQ
DTELQNWVRRLVSPEGGRVTGLVSNGELNTIEALVAIATQVIFVSGPQHA
AVNYPQYDYMAFIPNMPLATYATPPNKESNISEATILNILPPQKLAARQL
ELMRTLCVFYPNRLGYPDTEFVDVRAQQVLHQFQERLQEIEQRIVLCNEK
RLEPYTYLLPSNVPNSTSI
Ligand information
Ligand IDPDO
InChIInChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
InChIKeyYPFDHNVEDLHUCE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CO)CO
ACDLabs 11.02
CACTVS 3.352		OCCCO
FormulaC3 H8 O2
Name1,3-PROPANDIOL
ChEMBLCHEMBL379652
DrugBankDB02774
ZINCZINC000001529437
PDB chain5med Chain B Residue 1011 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5med Lipoxygenase 2 from Cyanothece sp. controls dioxygen insertion by steric shielding and substrate fixation.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		Q45 S46
Binding residue
(residue number reindexed from 1)		Q45 S46
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H257 H262 H449 N453 I569
Catalytic site (residue number reindexed from 1) H257 H262 H449 N453 I569
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:5med, PDBe:5med, PDBj:5med
PDBsum5med
PubMed28522865
UniProtB7JX99

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