Structure of PDB 2w98 Chain A Binding Site BS04

Receptor Information
>2w98 Chain A (length=348) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MMIVQRVVLNSRPGKNGNPVAENFRMEEVYLPDNINEGQVQVRTLYLSVD
PYMRCRMNEDTGTDYITPWQLSQVVDGGGIGIIEESKHTNLTKGDFVTSF
YWPWQTKVILDGNSLEKVDPQLVDGHLSYFLGAIGMPGLTSLIGIQEKGH
ITSNKTMVVSGAAGACGSVAGQIGHFLGCSRVVGICGTHEKCILLTSELG
FDAAINYKKDNVAEQLRESCPAGVDVYFDNVGGNISDTVISQMNENSHII
LCGQISQYNKDVPYPPPLSPAIEAIQKERNITRERFLVLNYKDKFEPGIL
QLSQWFKEGKLKIKETVINGLENMGAAFQSMMTGGNIGKQIVCISEEI
Ligand information
Ligand IDP1Z
InChIInChI=1S/C19H20N2O2/c1-2-3-14-17-18(22)20(15-10-6-4-7-11-15)21(19(17)23)16-12-8-5-9-13-16/h4-13,17H,2-3,14H2,1H3
InChIKeyVYMDGNCVAMGZFE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C2N(c1ccccc1)N(C(=O)C2CCCC)c3ccccc3
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CCCCC1C(=O)N(N(C1=O)c2ccccc2)c3ccccc3
FormulaC19 H20 N2 O2
Name4-BUTYL-1,2-DIPHENYL-PYRAZOLIDINE-3,5-DIONE
ChEMBLCHEMBL101
DrugBankDB00812
ZINCZINC000100004227
PDB chain2w98 Chain A Residue 1353 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2w98 Crystal Structure of Human Zinc-Binding Alcohol Dehydrogenase 1
Resolution1.85 Å
Binding residue
(original residue number in PDB)		T97 E115 V117 F129 F296 E297 I300
Binding residue
(residue number reindexed from 1)		T98 E116 V118 F130 F295 E296 I299
Annotation score1
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:2w98, PDBe:2w98, PDBj:2w98
PDBsum2w98
PubMed
UniProtQ8N8N7|PTGR2_HUMAN Prostaglandin reductase 2 (Gene Name=PTGR2)

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