Structure of PDB 3r7w Chain D Binding Site BS01

Receptor Information
>3r7w Chain D (length=229) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVLLMGVRRCGKSSICKVVFHALVYVIDINAITNLAMIIEYAYKVNPSIN
IEVLIHKFKVDAQRDIMQRTGEELLELGLDGVQVSFYLTSIFDHSIYEAF
SRIVQKLIPELSFLENMLDNLIQHSKIEKAFLFDVNSKIYVSTDSNPVDI
QMYEVCSEFIDVTIDLFDLYKAELQNVSQLANGVIIYLRQMIRGLALVAI
IRPNGTDMESCLTVADYNIDIFKKGLEDI
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 chain3r7w Chain D 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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PDB3r7w Crystal structure of the Gtr1p-Gtr2p complex reveals new insights into the amino acid-induced TORC1 activation
Resolution2.773 Å
Binding residue
(original residue number in PDB)		C20 K22 S24 H124 K125 I166
Binding residue
(residue number reindexed from 1)		C10 K12 S14 H56 K57 I91
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
Biological Process
GO:0006995 cellular response to nitrogen starvation
GO:0009267 cellular response to starvation
GO:0010507 negative regulation of autophagy
GO:0016237 microautophagy
GO:0032008 positive regulation of TOR signaling
GO:0032456 endocytic recycling
GO:0034599 cellular response to oxidative stress
GO:0045944 positive regulation of transcription by RNA polymerase II
GO:0071230 cellular response to amino acid stimulus
GO:1903778 protein localization to vacuolar membrane
GO:1904263 positive regulation of TORC1 signaling
Cellular Component
GO:0000329 fungal-type vacuole membrane
GO:0000785 chromatin
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005770 late endosome
GO:0005773 vacuole
GO:0005774 vacuolar membrane
GO:0016020 membrane
GO:0031902 late endosome membrane
GO:0045121 membrane raft
GO:0071986 Ragulator complex
GO:1990131 Gtr1-Gtr2 GTPase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3r7w, PDBe:3r7w, PDBj:3r7w
PDBsum3r7w
PubMed21816923
UniProtP53290|RAGCD_YEAST GTP-binding protein GTR2 (Gene Name=GTR2)

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