Structure of PDB 8fw5 Chain D Binding Site BS01

Receptor Information
>8fw5 Chain D (length=301) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRKKVLLMGRSGSGKSSMRSIVFSNYVAKDTRRLGATIDIEHSHVRFLGN
LVLNLWDCGGQEAFMENYLSAQRDHIFRNVQVLIYVFDVESREFERDLVT
FRNCLEATVANSPQARVFCLIHKMDLVQEDLRDLVFEERKAILLETSKDL
ETTCLATSIWDETLFKAWSAIVYTLIPNTPTLESHLREFAKAAEAAEVIL
FERTTFLVISSYSSESNPATDAHRFEKISNIVKQFKLSCSKMQAQFTTFE
LRGGNFSAFIVPYTEDTYILVVIADPEIESAVTLMNIQSARRFIEASKSA
S
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 chain8fw5 Chain D 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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PDB8fw5 Structure of the Schizosaccharomyces pombe Gtr-Lam complex reveals evolutionary divergence of mTORC1-dependent amino acid sensing.
Resolution3.08 Å
Binding residue
(original residue number in PDB)		G12 G14 K15 S16 S17 T31 R32 H122 K123 D125 L126 S158 I159 W160
Binding residue
(residue number reindexed from 1)		G12 G14 K15 S16 S17 T31 R32 H122 K123 D125 L126 S158 I159 W160
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
GO:0043539 protein serine/threonine kinase activator activity
Biological Process
GO:0009267 cellular response to starvation
GO:0010507 negative regulation of autophagy
GO:0110045 negative regulation of cell cycle switching, mitotic to meiotic cell cycle
GO:1904262 negative regulation of TORC1 signaling
GO:1904263 positive regulation of TORC1 signaling
Cellular Component
GO:0000329 fungal-type vacuole membrane
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005773 vacuole
GO:0005774 vacuolar membrane
GO:0005829 cytosol
GO:0016020 membrane
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:8fw5, PDBe:8fw5, PDBj:8fw5
PDBsum8fw5
PubMed37453417
UniProtO74824|RAGAB_SCHPO GTP-binding protein gtr1 (Gene Name=gtr1)

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