Structure of PDB 7uxh Chain W Binding Site BS01

Receptor Information
>7uxh Chain W (length=281) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSKPRILLMGLRRSGKNSIQKVVFHKNSSFVNFQIWDFPYEMIFRGTGAL
IYVIDAQDDYMEALTRLHITVSKAYKVNPDMNFEVFIHKVDGLSDDHKIE
TQRDIHQRANDDLADAGLEKLHLSFYLTSIYDHSIFEAFSKVVQKLIPQL
PTLENLLNIFISNSGIEKAFLFDVVSKIYIATDSSPVDMQSYELCCDMID
VVIDVSCIYGLKEDGSGSAYDKESMAIIKLNNTTVLYLKEVTKFLALVCI
LREESFERKGLIDYNFHCFRKAIHEVFEVGV
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 chain7uxh Chain W Residue 401 [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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PDB7uxh Structure of the lysosomal mTORC1-TFEB-Rag-Ragulator megacomplex.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		R71 S72 G73 K74 N75 S76 K179 D181 I220 Y221
Binding residue
(residue number reindexed from 1)		R13 S14 G15 K16 N17 S18 K89 D91 I130 Y131
Annotation score4
Enzymatic activity
Enzyme Commision number 3.6.5.-
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003924 GTPase activity
GO:0005515 protein binding
GO:0005525 GTP binding
GO:0016787 hydrolase activity
GO:0019003 GDP binding
GO:0043495 protein-membrane adaptor activity
GO:0046982 protein heterodimerization activity
GO:0051020 GTPase binding
GO:0060090 molecular adaptor activity
GO:0140767 enzyme-substrate adaptor activity
Biological Process
GO:0006351 DNA-templated transcription
GO:0006915 apoptotic process
GO:0007264 small GTPase-mediated signal transduction
GO:0008104 protein localization
GO:0008380 RNA splicing
GO:0009267 cellular response to starvation
GO:0010507 negative regulation of autophagy
GO:0031669 cellular response to nutrient levels
GO:0032006 regulation of TOR signaling
GO:0034198 cellular response to amino acid starvation
GO:0043200 response to amino acid
GO:0061462 protein localization to lysosome
GO:0071230 cellular response to amino acid stimulus
GO:0072657 protein localization to membrane
GO:1903432 regulation of TORC1 signaling
GO:1904263 positive regulation of TORC1 signaling
Cellular Component
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005764 lysosome
GO:0005765 lysosomal membrane
GO:0005829 cytosol
GO:0016020 membrane
GO:0043231 intracellular membrane-bounded organelle
GO:1990131 Gtr1-Gtr2 GTPase complex
GO:1990877 FNIP-folliculin RagC/D GAP

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7uxh, PDBe:7uxh, PDBj:7uxh
PDBsum7uxh
PubMed36697823
UniProtQ9HB90|RRAGC_HUMAN Ras-related GTP-binding protein C (Gene Name=RRAGC)

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