Structure of PDB 5i2c Chain A Binding Site BS01

Receptor Information
>5i2c Chain A (length=301) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MELHILEHRVRVLSVARPGLWLYTHPLIKLLFLPRRSRCKFFSLTETPED
YTLMVDEEGFKELPPSEFLQVAEATWLVLNVSSHQAAGVTKIARSVIAPL
AEHHVSVLMLSTYQTDFILVREQDLSVVIHTLAQEFDIYREVGGEPVPVT
RHGPSPTVHPIQSPQNRFCVLTLDPETLPAIATTLIDVLFYSHSTPKEAA
SSSPEPSSITFFAFSLIEGYISIVMDAETQKKFPSDLLLTLWRMVRIGGQ
PLGFDECGIVAQIAGPLAAADISAYYISTFNFDHALVPEDGIGSVIEVLQ
R
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 chain5i2c Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5i2c Mechanism of arginine sensing by CASTOR1 upstream of mTORC1.
Resolution1.801 Å
Binding residue
(original residue number in PDB)		S111 V112 L113 L273 G274 E277 I280 V281 T300 F301 F303 D304
Binding residue
(residue number reindexed from 1)		S106 V107 L108 L252 G253 E256 I259 V260 T279 F280 F282 D283
Annotation score4
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
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Biological Process
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Cellular Component
External links
PDB RCSB:5i2c, PDBe:5i2c, PDBj:5i2c
PDBsum5i2c
PubMed27487210
UniProtQ8WTX7|CAST1_HUMAN Cytosolic arginine sensor for mTORC1 subunit 1 (Gene Name=CASTOR1)

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