Structure of PDB 6sir Chain A Binding Site BS03

Receptor Information
>6sir Chain A (length=182) Species: 765915 (Catenaria anguillulae PL171) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AKEYESVTVFFSDITNFTVISSRTSTKDMMATLNKLWLEYDAIAKRWGVY
KVETIGDAYLGVTGAPEVVPDHADRAVNFALDIIEMIKTFKTATGESINI
RIGLNSGPVTAGVLGDLNPHWCLVGDTVNTASRMESTSKAGHIHISDSTY
QMIKGKFVTQPLDLMEVKGKGKMQTYWVTARK
Ligand information
Ligand IDGTP
InChIInChI=1S/C10H16N5O14P3/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyXKMLYUALXHKNFT-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.370NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
FormulaC10 H16 N5 O14 P3
NameGUANOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL1233147
DrugBankDB04137
ZINCZINC000060094177
PDB chain6sir Chain B Residue 702 [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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PDB6sir Molecular basis for GTP recognition by light-activated guanylate cyclase RhGC.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		F455 E497 I499 S576 R577 K612
Binding residue
(residue number reindexed from 1)		F11 E53 I55 S132 R133 K168
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) D457 I458 D501 R577 K612
Catalytic site (residue number reindexed from 1) D13 I14 D57 R133 K168
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0009190 cyclic nucleotide biosynthetic process
GO:0035556 intracellular signal transduction

View graph for
Biological Process
External links
PDB RCSB:6sir, PDBe:6sir, PDBj:6sir
PDBsum6sir
PubMed31808997
UniProtA0A1Y2HEJ3

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