Structure of PDB 5gs9 Chain D Binding Site BS01

Receptor Information
>5gs9 Chain D (length=286) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MELHILEHRVRVLSVARPGLWLYTHPLIKLLFLPRRSRCKFFSLTETPED
YTLMVDEEGFKELPPSEFLQVAEATWLVLNVSSQAAGVTKIARSVIAPLA
EHHVSVLMLSTYQTDFILVREQDLSVVIHTLAQEFDIYREVGGEPVPVPS
PTVHPIQSPQNRFCVLTLDPETLPAIATTLIDVLFYSHSITFFAFSLIEG
YISIVMDAETQKKFPSDLLLTSGELWRMVRIGGQPLGFDECGIVAQIAGP
LAAADISAYYISTFNFDHALVPEDGIGSVIEVLQRR
Ligand information
Ligand IDARG
InChIInChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)/p+1/t4-/m0/s1
InChIKeyODKSFYDXXFIFQN-BYPYZUCNSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(CC(C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[C@@H](CCCNC(N)=[NH2+])C(O)=O
OpenEye OEToolkits 1.5.0C(C[C@@H](C(=O)O)N)CNC(=[NH2+])N
CACTVS 3.341N[CH](CCCNC(N)=[NH2+])C(O)=O
ACDLabs 10.04O=C(O)C(N)CCCN\C(=[NH2+])N
FormulaC6 H15 N4 O2
NameARGININE
ChEMBL
DrugBank
ZINC
PDB chain5gs9 Chain D 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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PDB5gs9 Structural insight into the arginine-binding specificity of CASTOR1 in amino acid-dependent mTORC1 signaling.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		V112 L113 L273 G274 E277 I280 V281 T300 F301 F303 D304
Binding residue
(residue number reindexed from 1)		V106 L107 L236 G237 E240 I243 V244 T263 F264 F266 D267
Annotation score4
Binding affinityMOAD: Kd=5.5uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0034618 arginine binding
GO:0042802 identical protein binding
GO:0140299 molecular sensor activity
GO:0140311 protein sequestering activity
Biological Process
GO:0034198 cellular response to amino acid starvation
GO:1903577 cellular response to L-arginine
GO:1904262 negative regulation of TORC1 signaling
GO:1904263 positive regulation of TORC1 signaling
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0061700 GATOR2 complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:5gs9, PDBe:5gs9, PDBj:5gs9
PDBsum5gs9
PubMed27648300
UniProtQ8WTX7|CAST1_HUMAN Cytosolic arginine sensor for mTORC1 subunit 1 (Gene Name=CASTOR1)

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