Structure of PDB 2zb4 Chain A Binding Site BS02

Receptor Information
>2zb4 Chain A (length=351) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMIVQRVVLNSRPGKNGNPVAENFRMEEVYLPDNINEGQVQVRTLYLSVD
PYMRCRMNEDTGTDYITPWQLSQVVDGGGIGIIEESKHTNLTKGDFVTSF
YWPWQTKVILDGNSLEKVDPQLVDGHLSYFLGAIGMPGLTSLIGIQEKGH
ITAGSNKTMVVSGAAGACGSVAGQIGHFLGCSRVVGICGTHEKCILLTSE
LGFDAAINYKKDNVAEQLRESCPAGVDVYFDNVGGNISDTVISQMNENSH
IILCGQISQYNKDVPYPPPLSPAIEAIQKERNITRERFLVLNYKDKFEPG
ILQLSQWFKEGKLKIKETVINGLENMGAAFQSMMTGGNIGKQIVCISEEI
S
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 chain2zb4 Chain A Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2zb4 Structural basis for catalytic and inhibitory mechanisms of human prostaglandin reductase PTGR2.
Resolution1.63 Å
Binding residue
(original residue number in PDB)		Y51 F99 Y100 M135 V289 L290
Binding residue
(residue number reindexed from 1)		Y52 F100 Y101 M136 V290 L291
Annotation score5
Enzymatic activity
Enzyme Commision number 1.3.1.48: 15-oxoprostaglandin 13-reductase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0005515 protein binding
GO:0008270 zinc ion binding
GO:0016491 oxidoreductase activity
GO:0016628 oxidoreductase activity, acting on the CH-CH group of donors, NAD or NADP as acceptor
GO:0047522 15-oxoprostaglandin 13-oxidase [NAD(P)+] activity
Biological Process
GO:0006629 lipid metabolic process
GO:0006693 prostaglandin 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:2zb4, PDBe:2zb4, PDBj:2zb4
PDBsum2zb4
PubMed19000823
UniProtQ8N8N7|PTGR2_HUMAN Prostaglandin reductase 2 (Gene Name=PTGR2)

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