Structure of PDB 8h4m Chain A Binding Site BS01

Receptor Information
>8h4m Chain A (length=406) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPMAWASSFDAFFKNFKRESKIISEYDITLIMTYIEENKLQKAVSVIEKV
LRDIESAPLHIAVTGETGAGKSTFINTLRGVGHEEKGAAPMKRTPYPHPK
LPNVTIWDLPGIGTTNFTPQNYLTEMKFGEYDFFIIISATRFKENDAQLA
KAIAQMGMNFYFVRTKIDSDLDNEQKFKPKSFNKEEVLKNIKDYCSNHLQ
ESLEPPVFLVSNVDISKYDFPKLETKLLQDLPAHKRHVFSLSLQSLTEAT
INYKRDSLKQKVFLEAMKAGALATIPLGGMISDILENLDETFNLYRSYFG
LDDASLENIAQDLNMSVDDFKVHLRFPHLFAEHNDESLEDKLFKYIKHIS
SVTGGPVAAVTYYRMAYYLQNLFLDTAANDAIALLNSKALFEKKPYISEP
PEYWEA
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 chain8h4m Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8h4m Structural basis of Irgb6 inactivation by Toxoplasma gondii through the phosphorylation of switch I
Resolution1.68 Å
Binding residue
(original residue number in PDB)		G66 G68 K69 S70 T71 K171 D173 N219
Binding residue
(residue number reindexed from 1)		G68 G70 K71 S72 T73 K166 D168 N212
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.5.-
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005525 GTP binding
GO:0016787 hydrolase activity
Biological Process
GO:0042832 defense response to protozoan
GO:0045087 innate immune response
Cellular Component
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005794 Golgi apparatus
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8h4m, PDBe:8h4m, PDBj:8h4m
PDBsum8h4m
PubMed
UniProtQ3T9E4|TGTP2_MOUSE T-cell-specific guanine nucleotide triphosphate-binding protein 2 (Gene Name=Tgtp2)

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