Structure of PDB 1tpz Chain A Binding Site BS01

Receptor Information
>1tpz 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 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 chain1tpz Chain A Residue 1500 [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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PDB1tpz Crystal Structure of IIGP1; A Paradigm for Interferon-Inducible p47 Resistance GTPases
Resolution2.0 Å
Binding residue
(original residue number in PDB)		G79 G81 K82 S83 S84 T102 G103 K184 D186 S231 N232 K233
Binding residue
(residue number reindexed from 1)		G66 G68 K69 S70 S71 T89 G90 K171 D173 S211 N212 K213
Annotation score4
Binding affinityMOAD: Kd=0.64uM
PDBbind-CN: -logKd/Ki=6.19,Kd=0.64uM
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
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Cellular Component
External links
PDB RCSB:1tpz, PDBe:1tpz, PDBj:1tpz
PDBsum1tpz
PubMed15350217
UniProtQ9QZ85|IIGP1_MOUSE Interferon-inducible GTPase 1 (Gene Name=Iigp1)

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