Structure of PDB 1t9s Chain A Binding Site BS02

Receptor Information
>1t9s Chain A (length=326) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEETRELQSLAAAVVPSAQTLKITDFSFSDFELSDLETALCTIRMFTDLN
LVQNFQMKHEVLCRWILSVKKNYRKNVAYHNWRHAFNTAQCMFAALKAGK
IQNKLTDLEILALLIAALSHDLDHPGVSNQFLINTNSELALMYNDESVLE
HHHFDQCLMILNSPGNQILSGLSIEEYKTTLKIIKQAILATDLALYIKRR
GEFFELIRKNQFNLEDPHQKELFLAMLMTACDLSAITKPWPIQQRIAELV
ATEFFDQGDRERKELNIEPTDLMNREKKNKIPSMQVGFIDAICLQLYEAL
THVSEDCFPLLDGCRKNRQKWQALAE
Ligand information
Ligand ID5GP
InChIInChI=1S/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyRQFCJASXJCIDSX-UUOKFMHZSA-N
SMILES
SoftwareSMILES
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H14 N5 O8 P
NameGUANOSINE-5'-MONOPHOSPHATE
ChEMBLCHEMBL283807
DrugBankDB01972
ZINCZINC000002159505
PDB chain1t9s Chain A Residue 859 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1t9s A Glutamine Switch Mechanism for Nucleotide Selectivity by Phosphodiesterases
Resolution2.0 Å
Binding residue
(original residue number in PDB)		H613 D654 D764 L765 Q817 F820
Binding residue
(residue number reindexed from 1)		H80 D121 D232 L233 Q285 F288
Annotation score4
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:0008081 phosphoric diester hydrolase activity
Biological Process
GO:0007165 signal transduction

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1t9s, PDBe:1t9s, PDBj:1t9s
PDBsum1t9s
PubMed15260978
UniProtO76074|PDE5A_HUMAN cGMP-specific 3',5'-cyclic phosphodiesterase (Gene Name=PDE5A)

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