Structure of PDB 6zwm Chain E Binding Site BS02

Receptor Information
>6zwm Chain E (length=1117) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
NVPLDLTREPSDNLREILQNVARLQGVSNMRKLGHLNNFTKLLCDIGHSE
EKLGFHYEDIIICLRLALLNEAKEVRAAGLRALRYLIQDSSILQKVLKLK
VDYLIARCIDIQQSNEVERTQALRLVRKMITVNASLFPSSVTNSLIAVGN
DGLQERDRMVRACIAIICELALQNPEVVALRGGLNTILKNVIDCQLSRIN
EALITTILHLLNHPKTRQYVRADVELERILAPYTDFHYRHSPDTAEGQLK
EDREARFLASKMGIIATFRSWAGIINLCKPGNSGIQSLIGVLCIPNMEIR
RGLLEVLYDIFRLPLPVVTEEFIEALLSVDPGRFQDSWRLSDGFVAAEAK
TILPHRARSRPDLMDNYLALILSAFIRNGLLEGLVEVITNSDDHISVRAT
ILLGELLHMANTILPHSHSHHLHCLPTLMNMAASFDIPKEKRLRASAALN
CLKRFHEMKKRGPKPYSLHLDHIIQKAIATHQKRDQILKDTEEALLINLR
DSQVLQHKENLEWNWNLIGTILKWPNVNLRNYKDEQLHRFVRRLLYFYKP
SSKLYANLDLDFAKAKQLTVVGCQFTEFLLESEEDGQGYLEDLVKDIVQW
LNASSGMKPERSLQNNGLLTTLSQHYFLFIGTLSCHPHGVKMLEKCSVFQ
CLLNLCSLKNQDHLLKLTVSSLDYSRDGLARVILSKILTAATDACRLYAT
KHLRVLLRANVEFFNNWGIELLVTQLHDKNKTISSEALDILDEACEDKAN
LHALIQMKPALSHLGDKGLLLLLRFLSIPKGFSYLNERGYVAKQLEKWHR
EYNSKYVDLIEEQLNEALTTYRKPQRPHVYLPIHLYGQLVHHKTGCHLLE
VQNIITELCRNVRTPDLDKWEEIKKLKASLWALGNIGSSNWGLNLLQEEN
VIPDILKLAKQCEVLSIRGTCVYVLGLIAKTKQGCDILKCHNWDAVRHSR
KHLWPVVPDYIGLALPVDINDIFQVKDIPYFQTKSFHLLRQQMSLTEIMN
TGLQEHTDDNCLYCVCIEILGFQPSNQLSMCRILLRKEVLRLVINLSSSV
STKCHETGLLTIKEKYPQTFDDICLYSEVSHLLSHCTFRLPCRRFIQELF
QDVQFLQMHEEAEAVLA
Ligand information
Ligand IDAGS
InChIInChI=1S/C10H16N5O12P3S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(25-10)1-24-28(18,19)26-29(20,21)27-30(22,23)31/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H,20,21)(H2,11,12,13)(H2,22,23,31)/t4-,6-,7-,10-/m1/s1
InChIKeyNLTUCYMLOPLUHL-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[C@@H](O)[C@H]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=S)[CH](O)[CH]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N
ACDLabs 12.01O=P(O)(OP(=S)(O)O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
FormulaC10 H16 N5 O12 P3 S
NamePHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER;
ATP-GAMMA-S;
ADENOSINE 5'-(3-THIOTRIPHOSPHATE);
ADENOSINE 5'-(GAMMA-THIOTRIPHOSPHATE);
ADENOSINE-5'-DIPHOSPHATE MONOTHIOPHOSPHATE
ChEMBLCHEMBL131890
DrugBankDB02930
ZINCZINC000008295128
PDB chain6zwm Chain E Residue 4802 [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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PDB6zwm The 3.2- angstrom resolution structure of human mTORC2.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		K541 R572 R576 Y579
Binding residue
(residue number reindexed from 1)		K508 R539 R543 Y546
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0019901 protein kinase binding
GO:0043022 ribosome binding
GO:0043539 protein serine/threonine kinase activator activity
GO:0060090 molecular adaptor activity
Biological Process
GO:0001932 regulation of protein phosphorylation
GO:0001938 positive regulation of endothelial cell proliferation
GO:0007010 cytoskeleton organization
GO:0009792 embryo development ending in birth or egg hatching
GO:0010468 regulation of gene expression
GO:0018105 peptidyl-serine phosphorylation
GO:0030036 actin cytoskeleton organization
GO:0030307 positive regulation of cell growth
GO:0030838 positive regulation of actin filament polymerization
GO:0031669 cellular response to nutrient levels
GO:0031929 TOR signaling
GO:0032008 positive regulation of TOR signaling
GO:0032956 regulation of actin cytoskeleton organization
GO:0038203 TORC2 signaling
GO:0043066 negative regulation of apoptotic process
GO:0050727 regulation of inflammatory response
GO:0050731 positive regulation of peptidyl-tyrosine phosphorylation
GO:0051896 regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction
GO:0051897 positive regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction
GO:2000114 regulation of establishment of cell polarity
Cellular Component
GO:0005794 Golgi apparatus
GO:0005829 cytosol
GO:0031932 TORC2 complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6zwm, PDBe:6zwm, PDBj:6zwm
PDBsum6zwm
PubMed33158864
UniProtQ6R327|RICTR_HUMAN Rapamycin-insensitive companion of mTOR (Gene Name=RICTOR)

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