Structure of PDB 7vuj Chain A Binding Site BS01

Receptor Information
>7vuj Chain A (length=234) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TEDQRNEEKAQREANKKIEKQLQKDKQVYRATHRLLLLGADNSGKSTIVK
QMRILGIFETKFQVDKVNFHMFDVGGQRDERRKWIQCFNDVTAIIFVVDS
SDYNRLQEALNLFKSIWNNRWLRTISVILFLNKQDLLAEKVLAGKSKIED
YFPEFARYTTPEDATPEPGEDPRVTRAKYFIRDEFLRISTASGDGRHYCY
PHFTCAVDTENARRIFNDCKDIILQMNLREYNLV
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 chain7vuj Chain A Residue 402 [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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PDB7vuj Molecular insights into ligand recognition and G protein coupling of the neuromodulatory orphan receptor GPR139.
Resolution3.8 Å
Binding residue
(original residue number in PDB)		D49 N50 S51 G52 K53 S54 T55 N282 K283 D285 A356
Binding residue
(residue number reindexed from 1)		D41 N42 S43 G44 K45 S46 T47 N132 K133 D135 A206
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:0007186 G protein-coupled receptor signaling pathway

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Molecular Function
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Biological Process
External links
PDB RCSB:7vuj, PDBe:7vuj, PDBj:7vuj
PDBsum7vuj
PubMed34916631
UniProtP63092|GNAS2_HUMAN Guanine nucleotide-binding protein G(s) subunit alpha isoforms short (Gene Name=GNAS)

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