Structure of PDB 5fph Chain F Binding Site BS01

Receptor Information
>5fph Chain F (length=394) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NNDLPSSFTGYFKKFNTGEEIISQEILNLIELRMRKGNIQLTNSAISDAL
KEIDSSVLNVAVTGETGSGKSSFINTLRGIGNEEEGAAKTGVVTMERHPY
KHPNIPNVVFWDLPGIGSTNFPPNTYLEKMKFYEYDFFIIISATRFKKND
IDIAKAISMMKEEFYFVRTKVDSDITNEADGTFDKEKVLQDIRLNCVNTF
RENGIAEPPIFLLSNKNVCHYDFPVLMDELISDLPIYKRHNFMVSLPNIT
DSVIEKKRQFLKQRIWLEGFAADLVNIIPSLTFLLDSDLETLKKSMKFYR
TVFGVDETSLQRLARDWEIEVDQVEAMIKSPAVFKPTDTIQERLSRYIQE
FCLANGYLLPKNSFLKEIFYLKYYFLDMVTEDAKTLLKEICLRN
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 chain5fph Chain F Residue 501 [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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PDB5fph The Immunity-Related Gtpase Irga6 Dimerizes in a Parallel Head-to-Head Fashion.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		G79 S80 G81 K82 S83 S84 T102 K184 D186 S187 S231 N232 K233
Binding residue
(residue number reindexed from 1)		G67 S68 G69 K70 S71 S72 T90 K170 D172 S173 S214 N215 K216
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:5fph, PDBe:5fph, PDBj:5fph
PDBsum5fph
PubMed26934976
UniProtQ9QZ85|IIGP1_MOUSE Interferon-inducible GTPase 1 (Gene Name=Iigp1)

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