Structure of PDB 5yd6 Chain B Binding Site BS01

Receptor Information
>5yd6 Chain B (length=225) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VSLISALVRAHVDSNPAMTSLDYSRFQANPDDTQHIQQFYDLLTGSMEII
RGWAEKIPGFADLPKADQDLLFESAFLELFVLRLAYRSNPVEGKLIFCNG
VVLHRLQCVRGFGEWIDSIVEFSSNLQNMNIDISAFSCIAALAMVTERHG
LKEPKRVEELQNKIVNCLKDHVTFNNNYLSKLLGKLPELRTLCTQGLQRI
FYLKLEDLVPPPAIIDKLFLDTLPF
Ligand information
Ligand ID8SU
InChIInChI=1S/C20H30O4/c1-2-3-6-9-17(21)14-12-16-13-15-19(22)18(16)10-7-4-5-8-11-20(23)24/h4,7,12-18,21H,2-3,5-6,8-11H2,1H3,(H,23,24)/b7-4-,14-12+/t16-,17-,18+/m0/s1
InChIKeyMYHXHCUNDDAEOZ-FOSBLDSVSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCC[C@H](O)\C=C\[C@H]1C=CC(=O)[C@@H]1C\C=C/CCCC(O)=O
OpenEye OEToolkits 2.0.6CCCCC[C@@H](/C=C/[C@H]1C=CC(=O)[C@@H]1C/C=C\CCCC(=O)O)O
CACTVS 3.385CCCCC[CH](O)C=C[CH]1C=CC(=O)[CH]1CC=CCCCC(O)=O
OpenEye OEToolkits 2.0.6CCCCCC(C=CC1C=CC(=O)C1CC=CCCCC(=O)O)O
FormulaC20 H30 O4
Name(~{Z})-7-[(1~{R},5~{S})-2-oxidanylidene-5-[(~{E},3~{S})-3-oxidanyloct-1-enyl]cyclopent-3-en-1-yl]hept-5-enoic acid;
PROSTAGLANDIN A2 (PGA2)
ChEMBLCHEMBL1084643
DrugBank
ZINCZINC000004521813
PDB chain5yd6 Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5yd6 Structure of Nurr1 bound to cyclopentenone prostaglandin A2 and its mechanism of action in ameliorating dopaminergic neurodegeneration in Drosophila
Resolution2.34 Å
Binding residue
(original residue number in PDB)		E440 F443 L444 C566 L570 L591 F592 T595
Binding residue
(residue number reindexed from 1)		E73 F76 L77 C193 L197 L218 F219 T222
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0004879 nuclear receptor activity
Biological Process
GO:0006355 regulation of DNA-templated transcription
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5yd6, PDBe:5yd6, PDBj:5yd6
PDBsum5yd6
PubMed
UniProtP43354|NR4A2_HUMAN Nuclear receptor subfamily 4 group A member 2 (Gene Name=NR4A2)

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