Structure of PDB 5med Chain B Binding Site BS02

Receptor Information
>5med Chain B (length=565) 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
EGRGSLAPIAIQINQQPDPITNPIYTPRDGKHWFIAKIFAQMADGNCHEA
ISHLARTHLILEPFVLATANELAPNHPLSVLLKPHFQFTLAINELAREQL
ISAGGYADDLLAGTLEASIAVIKAAIKEYMDNFTEFALPRELARRGVGIG
DVDQRGENFLPDYPYRDDAMLLWNAIEVYVRDYLSLYYQSPVQIRQDTEL
QNWVRRLVSPEGGRVTGLVSNGELNTIEALVAIATQVIFVSGPQHAAVNY
PQYDYMAFIPNMPLATYATPPNKESNISEATILNILPPQKLAARQLELMR
TLCVFYPNRLGYPDTEFVDVRAQQVLHQFQERLQEIEQRIVLCNEKRLEP
YTYLLPSNVPNSTSI
Ligand information
Ligand IDPOL
InChIInChI=1S/C3H8O/c1-2-3-4/h4H,2-3H2,1H3
InChIKeyBDERNNFJNOPAEC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCO
ACDLabs 10.04OCCC
FormulaC3 H8 O
NameN-PROPANOL;
1-PROPONOL
ChEMBLCHEMBL14687
DrugBankDB03175
ZINCZINC000000895969
PDB chain5med Chain B Residue 1010 [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)		H262 I296 L299 A300
Binding residue
(residue number reindexed from 1)		H258 I292 L295 A296
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H257 H262 H449 N453 I569
Catalytic site (residue number reindexed from 1) H253 H258 H445 N449 I565
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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