Structure of PDB 8iys Chain A Binding Site BS01

Receptor Information
>8iys Chain A (length=355) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CTLSAEDKAAVERSKMIDRNLREDGEKARRELKLLLLGTGESGKSTFIKQ
MRIIHGSGYSDEDKRGFTKLVYQNIFTAMQAMIRAMDTLKIPYKYEHNKA
HAQLVREVDVEKVSAFENPYVDAIKSLWNDPGIQECYDRRREYQLSDSTK
YYLNDLDRVADPAYLPTQQDVLRVRVPTTGIIEYPFDLQSVIFRMVDVGG
QRSERRKWIHCFENVTSIMFLVALSEYDQVLVESDNENRMEESKALFRTI
ITYPWFQNSSVILFLNKKDLLEEKIMYSHLVDYFPEYDGPQRDAQAAREF
ILKMFVDLNPDSDKIIYSHFTCATDTENIRAAAAFVFAAVKDTILQLNLK
EYNLV
Ligand information
Ligand IDGDP
InChIInChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1
InChIKeyQGWNDRXFNXRZMB-UUOKFMHZSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 12.01O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
FormulaC10 H15 N5 O11 P2
NameGUANOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL384759
DrugBankDB04315
ZINCZINC000008215481
PDB chain8iys Chain A Residue 401 [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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PDB8iys Structural basis of omega-3 fatty acid receptor FFAR4 activation and G protein coupling selectivity.
Resolution2.95 Å
Binding residue
(original residue number in PDB)		E43 G45 K46 S47 T48 S150 R177 N268 K269 D271 L272 C324 T326
Binding residue
(residue number reindexed from 1)		E41 G43 K44 S45 T46 S148 R175 N266 K267 D269 L270 C322 T324
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001664 G protein-coupled receptor binding
GO:0003924 GTPase activity
GO:0019001 guanyl nucleotide binding
GO:0031683 G-protein beta/gamma-subunit complex binding
Biological Process
GO:0007165 signal transduction
GO:0007186 G protein-coupled receptor signaling pathway

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Molecular Function
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Biological Process
External links
PDB RCSB:8iys, PDBe:8iys, PDBj:8iys
PDBsum8iys
PubMed37286793
UniProtP50148|GNAQ_HUMAN Guanine nucleotide-binding protein G(q) subunit alpha (Gene Name=GNAQ)

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