Structure of PDB 8ugb Chain A Binding Site BS04

Receptor Information
>8ugb Chain A (length=811) Species: 9913 (Bos taurus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEVEKFLDSNVSFAKQYYNLRYRAKVISDLLGPREAAVDFSNYHALNSVE
ESEIIFDLLRDFQDNLQAEKCVFNVMKKLCFLLQADRMSLFMYRARNGIA
ELATRLFNVHKDAVLEECLVAPDSEIVFPLDMGVVGHVALSKKIVNVPNT
EEDEHFCDFVDTLTEYQTKNILASPIMNGKDVVAIIMVVNKVDGPHFTEN
DEEILLKYLNFANLIMKVFHLSYLHNCETRRGQILLWSGSKVFEELTDIE
RQFHKALYTVRAFLNCDRYSVGLLDMTKQKEFFDVWPVLMGEAPPYAGPR
TPDGREINFYKVIDYILHGKEDIKVIPNPPPDHWALVSGLPTYVAQNGLI
CNIMNAPSEDFFAFQKEPLDESGWMIKNVLSMPIVNKKEEIVGVATFYNR
KDGKPFDEMDETLMESLTQFLGWSVLNPDTYELMNKLENRKDIFQDMVKY
HVKCDNEEIQTILKTREVYGKEPWECEEEELAEILQGELPDADKYEINKF
HFSDLPLTELELVKCGIQMYYELKVVDKFHIPQEALVRFMYSLSKGYRRI
TYHNWRHGFNVGQTMFSLLVTGKLKRYFTDLEALAMVTAAFCHDIDHRGT
NNLYQMKSQNPLAKLHGSSILERHHLEFGKTLLRDESLNIFQNLNRRQHE
HAIHMMDIAIIATDLALYFKKRTMFQKIVDQSKTYETQQEWTQYMMLDQT
RKEIVMAMMMTACDLSAITKPWEVQSKVALLVAAEFWEQGDLERTVLQQN
PIPMMDRNKADELPKLQVGFIDFVCTFVYKEFSRFHEEITPMLDGITNNR
KEWKALADEYE
Ligand information
Ligand IDZUD
InChIInChI=1S/C25H36N6O4S/c1-5-8-20-22-23(31(4)29-20)25(32)28-24(27-22)19-16-18(10-11-21(19)35-15-6-2)36(33,34)26-13-12-17-9-7-14-30(17)3/h10-11,16-17,26H,5-9,12-15H2,1-4H3,(H,27,28,32)/t17-/m1/s1
InChIKeyIYFNEFQTYQPVOC-QGZVFWFLSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCOc1ccc(cc1C2=NC(=O)c3n(C)nc(CCC)c3N2)[S](=O)(=O)NCC[CH]4CCCN4C
ACDLabs 12.01CN1CCCC1CCNS(=O)(=O)c1cc(C2=NC(=O)c3c(N2)c(nn3C)CCC)c(OCCC)cc1
OpenEye OEToolkits 2.0.7CCCc1c2c(n(n1)C)C(=O)N=C(N2)c3cc(ccc3OCCC)S(=O)(=O)NCCC4CCCN4C
OpenEye OEToolkits 2.0.7CCCc1c2c(n(n1)C)C(=O)N=C(N2)c3cc(ccc3OCCC)S(=O)(=O)NCC[C@H]4CCCN4C
CACTVS 3.385CCCOc1ccc(cc1C2=NC(=O)c3n(C)nc(CCC)c3N2)[S](=O)(=O)NCC[C@H]4CCCN4C
FormulaC25 H36 N6 O4 S
NameUdenafil;
(3P)-3-(1-methyl-7-oxo-3-propyl-4,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-N-{2-[(2R)-1-methylpyrrolidin-2-yl]ethyl}-4-propoxybenzene-1-sulfonamide
ChEMBL
DrugBank
ZINC
PDB chain8ugb Chain A Residue 904 [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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PDB8ugb Probing the mechanism by which the retinal G protein transducin activates its biological effector PDE6.
Resolution3.0 Å
Binding residue
(original residue number in PDB)		M760 L772 Q773 F776
Binding residue
(residue number reindexed from 1)		M754 L766 Q767 F770
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.35: 3',5'-cyclic-GMP phosphodiesterase.
Gene Ontology
Molecular Function
GO:0004114 3',5'-cyclic-nucleotide phosphodiesterase activity
GO:0004115 3',5'-cyclic-AMP phosphodiesterase activity
GO:0004117 calmodulin-activated dual specificity 3',5'-cyclic-GMP, 3',5'-cyclic-AMP phosphodiesterase activity
GO:0008081 phosphoric diester hydrolase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
GO:0047555 3',5'-cyclic-GMP phosphodiesterase activity
GO:0048101 calmodulin-activated 3',5'-cyclic-GMP phosphodiesterase activity
Biological Process
GO:0007165 signal transduction
GO:0007601 visual perception
GO:0019933 cAMP-mediated signaling
GO:0060041 retina development in camera-type eye
Cellular Component
GO:0001750 photoreceptor outer segment
GO:0005886 plasma membrane
GO:0042622 photoreceptor outer segment membrane
GO:0042995 cell projection
GO:0097381 photoreceptor disc membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8ugb, PDBe:8ugb, PDBj:8ugb
PDBsum8ugb
PubMed38159849
UniProtP11541|PDE6A_BOVIN Rod cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha (Gene Name=PDE6A)

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