Structure of PDB 1v3v Chain A Binding Site BS03

Receptor Information
>1v3v Chain A (length=333) Species: 10141 (Cavia porcellus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPEFMVKAKSWTLKKHFQGKPTQSDFELKTVELPPLKNGEVLLEALFLSV
DPYMRIASKRLKEGAVMMGQQVARVVESKNSAFPAGSIVLAQSGWTTHFI
SDGKGLEKLLTEWPDKLPLSLALGTIGMPGLTAYFGLLEVCGVKGGETVL
VSAAAGAVGSVVGQIAKLKGCKVVGAAGSDEKIAYLKQIGFDAAFNYKTV
NSLEEALKKASPDGYDCYFDNVGGEFLNTVLSQMKDFGKIAICGAISVYN
RMDQLPPGPSPESIIYKQLRIEGFIVYRWQGDVREKALRDLMKWVLEGKI
QYHEHVTKGFENMPAAFIEMLNGANLGKAVVTA
Ligand information
Ligand ID5OP
InChIInChI=1S/C20H30O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,16-17,19,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4?,13-12+
InChIKeyYRTJDWROBKPZNV-SFTOQRQMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCC(=O)\C=C\[C@@H]1[C@@H](CC(=O)[C@H]1CC=CCCCC(=O)O)O
CACTVS 3.341CCCCCC(=O)C=C[CH]1C(O)CC(=O)[CH]1CC=CCCCC(O)=O
OpenEye OEToolkits 1.5.0CCCCCC(=O)C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O
CACTVS 3.341CCCCCC(=O)\C=C\[C@@H]1C(O)CC(=O)[C@H]1CC=CCCCC(O)=O
ACDLabs 10.04O=C(O)CCC/C=C/CC1C(=O)CC(O)C1\C=C\C(=O)CCCCC
FormulaC20 H30 O5
Name(5E,13E)-11-HYDROXY-9,15-DIOXOPROSTA-5,13-DIEN-1-OIC ACID;
15-OXO-PGE2
ChEMBL
DrugBankDB07177
ZINC
PDB chain1v3v Chain B Residue 2360 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1v3v Structural basis of leukotriene B4 12-hydroxydehydrogenase/15-Oxo-prostaglandin 13-reductase catalytic mechanism and a possible Src homology 3 domain binding loop
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E258 Y262
Binding residue
(residue number reindexed from 1)		E262 Y266
Annotation score5
Enzymatic activity
Enzyme Commision number 1.3.1.48: 15-oxoprostaglandin 13-reductase.
1.3.1.74: 2-alkenal reductase [NAD(P)(+)].
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0016628 oxidoreductase activity, acting on the CH-CH group of donors, NAD or NADP as acceptor
GO:0032440 2-alkenal reductase [NAD(P)+] activity
GO:0035798 2-alkenal reductase (NADPH) activity
GO:0036185 13-lipoxin reductase activity
GO:0047522 15-oxoprostaglandin 13-oxidase [NAD(P)+] activity
GO:0097257 leukotriene B4 12-hydroxy dehydrogenase activity
Biological Process
GO:0006693 prostaglandin metabolic process
GO:0036102 leukotriene B4 metabolic process
GO:2001302 lipoxin A4 metabolic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1v3v, PDBe:1v3v, PDBj:1v3v
PDBsum1v3v
PubMed15007077
UniProtQ9EQZ5|PTGR1_CAVPO Prostaglandin reductase 1 (Gene Name=Ptgr1)

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