Structure of PDB 7e5e Chain C Binding Site BS04

Receptor Information
>7e5e Chain C (length=332) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RATHRLLLLGAGESGKSTIVKQMRILHVNGFNGKATKVQDIKNNLKEAIE
TIVAAMSNLVPPVELANPENQFRVDYILSVMNVPDFDFPPEFYEHAKALW
EDEGVRACYERSNEYQLIDCAQYFLDKIDVIKQADYVPSDQDLLRCRVLT
SGIFETKFQVDKVNFHMFDVGGQRDERRKWIQCFNDVTAIIFVVASSSYN
MVIREDNQTNRLQEALNLFKSIWNNRWLRTISVILFLNKQDLLAEKVLAG
KSKIEDYFPEFARYTTPEDATPEPGEDPRVTRAKYFIRDEFLRISTAHYC
YPHFTCAVDTENIRRVFNDCRDIIQRMHLRQY
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 chain7e5e Chain C 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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PDB7e5e State-selective modulation of heterotrimeric G alpha s signaling with macrocyclic peptides.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		E50 S51 G52 K53 S54 T55 D173 R199 R201 N292 K293 D295 L296 C365 A366 V367
Binding residue
(residue number reindexed from 1)		E13 S14 G15 K16 S17 T18 D119 R145 R147 N238 K239 D241 L242 C306 A307 V308
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
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:7e5e, PDBe:7e5e, PDBj:7e5e
PDBsum7e5e
PubMed36170854
UniProtP63092|GNAS2_HUMAN Guanine nucleotide-binding protein G(s) subunit alpha isoforms short (Gene Name=GNAS)

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