Structure of PDB 1tq2 Chain A Binding Site BS01

Receptor Information
>1tq2 Chain A (length=395) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NDLPSSFTGYFKKFNTGRKIISQEILNLIELRMRKGNIQLTNSAISDALK
EIDSSVLNVAVTGETGSGKSSFINTLRGIGNEEEGAAKTGVVEVTMERHP
YKHPNIPNVVFWDLPGIGSTNFPPDTYLEKMKFYEYDFFIIISATRFKKN
DIDIAKAISMMKKEFYFVRTKVDSDITNEADKEKVLQDIRLNCVNTFREN
GIAEPPIFLLSNKNVCHYDFPVLMDKLISDLPIYKRHNFMVSLPNITDSV
IEKKRQFLKQRIWLEGFAADLVNIIPSLTFLLDSDLETLKKSMKFYRTVF
GVDETSLQRLARDWEIEVDQVEAMIKSPAVFKPTDEETIQERLSRYIQEF
CLANGYLLPKNSFLKEIFYLKYYFLDMVTEDAKTLLKEICLKLGR
Ligand information
Ligand IDGNP
InChIInChI=1S/C10H17N6O13P3/c11-10-13-7-4(8(19)14-10)12-2-16(7)9-6(18)5(17)3(28-9)1-27-32(25,26)29-31(23,24)15-30(20,21)22/h2-3,5-6,9,17-18H,1H2,(H,25,26)(H3,11,13,14,19)(H4,15,20,21,22,23,24)/t3-,5-,6-,9-/m1/s1
InChIKeyUQABYHGXWYXDTK-UUOKFMHZSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
OpenEye OEToolkits 1.5.0c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N=C(NC2=O)N
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)N[P](O)(O)=O)[C@@H](O)[C@H]3O
CACTVS 3.341NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)[CH](O)[CH]3O
FormulaC10 H17 N6 O13 P3
NamePHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
ChEMBLCHEMBL1233085
DrugBankDB02082
ZINCZINC000037868676
PDB chain1tq2 Chain A Residue 500 [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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PDB1tq2 Crystal Structure of IIGP1; A Paradigm for Interferon-Inducible p47 Resistance GTPases
Resolution2.7 Å
Binding residue
(original residue number in PDB)		E77 T78 G79 G81 K82 S83 S84 G103 V104 K184 D186 N232 K233
Binding residue
(residue number reindexed from 1)		E64 T65 G66 G68 K69 S70 S71 G90 V91 K171 D173 N212 K213
Annotation score3
Enzymatic activity
Enzyme Commision number 3.6.5.-
Gene Ontology
Molecular Function
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0016787 hydrolase activity
GO:0019003 GDP binding
GO:0042802 identical protein binding
Biological Process
GO:0009617 response to bacterium
GO:0010506 regulation of autophagy
GO:0019221 cytokine-mediated signaling pathway
GO:0035458 cellular response to interferon-beta
GO:0042832 defense response to protozoan
GO:0045087 innate immune response
GO:0050829 defense response to Gram-negative bacterium
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005794 Golgi apparatus
GO:0016020 membrane
GO:0020005 symbiont-containing vacuole membrane
GO:0031965 nuclear membrane
GO:0032580 Golgi cisterna membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:1tq2, PDBe:1tq2, PDBj:1tq2
PDBsum1tq2
PubMed15350217
UniProtQ9QZ85|IIGP1_MOUSE Interferon-inducible GTPase 1 (Gene Name=Iigp1)

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