Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T75243 | Target Info | |||
| Target Name | Serine/threonine-protein kinase mTOR (mTOR) | ||||
| Synonyms | Target of rapamycin; TOR kinase; Rapamycin target protein 1; Rapamycin target protein; Rapamycin and FKBP12 target 1; RAPT1; RAFT1; Mechanistic target of rapamycin; Mammalian target of rapamycin; FRAP2; FRAP1; FRAP; FKBP12-rapamycin complex-associated protein; FKBP-rapamycin associated protein; FK506-binding protein 12-rapamycin complex-associated protein 1 | ||||
| Target Type | Successful Target | ||||
| Gene Name | MTOR | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Phosphothiophosphoric acid-adenylate ester | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(O)O)O)O)N | ||||
| InChI | 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 | ||||
| InChIKey | NLTUCYMLOPLUHL-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 440317 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6ZWO cryo-EM structure of human mTOR complex 2, focused on one half | ||||||
| Method | Electron microscopy | Resolution | 3.00 Å | Mutation | No | [1] |
| PDB Sequence |
NPGVINNVLA
800 TIGELAQVSG810 LEMRKWVDEL820 FIIIMDMLQD830 SSLLAKRQVA840 LWTLGQLVAS 850 TGYVVEPYRK860 YPTLLEVLLN870 FLKTEQNQGT880 RREAIRVLGL890 LGALDPYKHK 900 VNISDYSTSE933 MLVNMGNLPL943 DEFYPAVSMV953 ALMRIFRDQS963 LSHHHTMVVQ 973 AITFIFKSLG983 LKCVQFLPQV993 MPTFLNVIRV1003 CDGAIREFLF1013 QQLGMLVSFV 1023 KSHIRPYMDE1033 IVTLMREFWV1043 MNTSIQSTII1053 LLIEQIVVAL1063 GGEFKLYLPQ 1073 LIPHMLRVFM1083 HDNSPGRIVS1093 IKLLAAIQLF1103 GANLDDYLHL1113 LLPPIVKLFD 1123 APEAPLPSRK1133 AALETVDRLT1143 ESLDFTDYAS1153 RIIHPIVRTL1163 DQSPELRSTA 1173 MDTLSSLVFQ1183 LGKKYQIFIP1193 MVNKVLVRHR1203 INHQRYDVLI1213 CRIVKGYTLA 1223 DEEEDPLIYQ1233 HRMLRINLQK1267 AWGAARRVSK1277 DDWLEWLRRL1287 SLELLKDSSS 1297 PSLRSCWALA1307 QAYNPMARDL1317 FNAAFVSCWS1327 ELNEDQQDEL1337 IRSIELALTS 1347 QDIAEVTQTL1357 LNLAEFMEHS1367 DKGPLPLRDD1377 NGIVLLGERA1387 AKCRAYAKAL 1397 HYKELEFQKG1407 PTPAILESLI1417 SINNKLQQPE1427 AAAGVLEYAM1437 KHFGELEIQA 1447 TWYEKLHEWE1457 DALVAYDKKM1467 DTNKDDPELM1477 LGRMRCLEAL1487 GEWGQLHQQC 1497 CEKWTLVNDE1507 TQAKMARMAA1517 AAAWGLGQWD1527 SMEEYTCMIP1537 RDTHDGAFYR 1547 AVLALHQDLF1557 SLAQQCIDKA1567 RDLLDAELTA1577 MAGESYSRAY1587 GAMVSCHMLS 1597 ELEEVIQYKL1607 VPERREIIRQ1617 IWWERLQGCQ1627 RIVEDWQKIL1637 MVRSLVVSPH 1647 EDMRTWLKYA1657 SLCGKSGRLA1667 LAHKTLVLLL1677 GVDPSRQLDH1687 PLPTVHPQVT 1697 YAYMKNMWKS1707 ARKIDAFQHM1717 QHFVQTMQQQ1727 AQHAIATEDQ1737 QHKQELHKLM 1747 ARCFLKLGEW1757 QLNLQGINES1767 TIPKVLQYYS1777 AATEHDRSWY1787 KAWHAWAVMN 1797 FEAVLHYKHQ1807 NQALSKTLLM1879 YTVPAVQGFF1889 RSISLSRGNN1899 LQDTLRVLTL 1909 WFDYGHWPDV1919 NEALVEGVKA1929 IQIDTWLQVI1939 PQLIARIDTP1949 RPLVGRLIHQ 1959 LLTDIGRYHP1969 QALIYPLTVA1979 SKSTTTARHN1989 AANKILKNMC1999 EHSNTLVQQA 2009 MMVSEELIRV2019 AILWHEMWHE2029 GLEEASRLYF2039 GERNVKGMFE2049 VLEPLHAMME 2059 RGPQTLKETS2069 FNQAYGRDLM2079 EAQEWCRKYM2089 KSGNVKDLTQ2099 AWDLYYHVFR 2109 RISKQLPQLT2119 SLELQYVSPK2129 LLMCRDLELA2139 VPGTYDPNQP2149 IIRIQSIAPS 2159 LQVITSKQRP2169 RKLTLMGSNG2179 HEFVFLLKGH2189 EDLRQDERVM2199 QLFGLVNTLL 2209 ANDPTSLRKN2219 LSIQRYAVIP2229 LSTNSGLIGW2239 VPHCDTLHAL2249 IRDYREKKKI 2259 LLNIEHRIML2269 RMAPDYDHLT2279 LMQKVEVFEH2289 AVNNTAGDDL2299 AKLLWLKSPS 2309 SEVWFDRRTN2319 YTRSLAVMSM2329 VGYILGLGDR2339 HPSNLMLDRL2349 SGKILHIDFG 2359 DCFEVAMTRE2369 KFPEKIPFRL2379 TRMLTNAMEV2389 TGLDGNYRIT2399 CHTVMEVLRE 2409 HKDSVMAVLE2419 AFVYDPLLNW2429 RLMDALNKKA2497 IQIINRVRDK2507 LTGRDFSHDD 2517 TLDVPTQVEL2527 LIKQATSHEN2537 LCQCYIGWCP2547 FW
|
|||||
|
|
ILE2163
4.237
SER2165
3.784
LYS2166
4.035
GLN2167
4.024
PRO2169
4.266
LEU2185
4.090
LYS2187
3.644
GLU2190
3.858
TYR2225
4.272
ILE2237
3.752
GLY2238
3.285
|
|||||
| PDB ID: 6ZWM cryo-EM structure of human mTOR complex 2, overall refinement | ||||||
| Method | Electron microscopy | Resolution | 3.20 Å | Mutation | No | [1] |
| PDB Sequence |
SNVSVLQQFA
26 SGLKRAKAAK42 ELQHYVTMEL52 RSTRFYDQLN68 HHIFELERKG85 GILAIASLIG 95 VEGGNATRIG105 RFANYLRNLL115 PSNDPVVMEM125 ASKAIGRLAM135 AGDTFTAEYV 145 EFEVKRALEW155 LEGRRHAAVL170 VLRELAISVP180 TFFFQQVQPF190 FDNIFVAVWD 200 PKQAIREGAV210 AALRACLILT220 TQRWYRHTFE239 EAEKGFDDDR260 IHGALLILNE 270 LVRISSMEGE280 RLREEMEEIL356 VESRCCRDLM366 EEKFDQVCQW376 VLKCSLIQMT 391 ILNLLPRLAA401 FRPTQYLQDT416 MNHVLSCVKK426 EKERTAAFQA436 LGLLSVAVRS 446 EFKVYLPRVL456 DIIRAALPPK466 VDATVFTCIS487 MLARIQQDIK502 ELLEPMLAVG 512 LSPALTAVLY522 DLSRQIPQLK532 KDIQDGLLKM542 LSLVLMHDGS581 ITLALRTLGS 591 FEFELTQFVR604 HCADHFLNSE614 HKEIRMEAAR624 TCSRLLTPSV644 SQTAVQVVAD 654 VLSKLLVVGI664 TDPDPDIRYC674 VLASLDERFD684 AHLAQAENLQ694 ALFVALNDQV 704 FEIRELAICT714 VGRLSSMNPA724 FVMPFLRKML734 IQILTELEHS744 GIGRIKEQSA 754 RMLGHLVSNA764 PRLIRPYMEP774 ILKALILKLK784 DPNPGVINNV798 LATIGELAQV 808 SGLEMRKWVD818 ELFIIIMDML828 QDSSLLAKRQ838 VALWTLGQLV848 ASTGYVVEPY 858 RKYPTLLEVL868 LNFLKTEQNQ878 GTRREAIRVL888 GLLGALDPYK898 HKVNISDYST 931 SEMLVNMGNL941 PLDEFYPAVS951 MVALMRIFRD961 QSLSHHHTMV971 VQAITFIFKS 981 LGLKCVQFLP991 QVMPTFLNVI1001 RVCDGAIREF1011 LFQQLGMLVS1021 FVKSHIRPYM 1031 DEIVTLMREF1041 WVMNTSIQST1051 IILLIEQIVV1061 ALGGEFKLYL1071 PQLIPHMLRV 1081 FMHDNSPGRI1091 VSIKLLAAIQ1101 LFGANLDDYL1111 HLLLPPIVKL1121 FDAPEAPLPS 1131 RKAALETVDR1141 LTESLDFTDY1151 ASRIIHPIVR1161 TLDQSPELRS1171 TAMDTLSSLV 1181 FQLGKKYQIF1191 IPMVNKVLVR1201 HRINHQRYDV1211 LICRIVKGYT1221 LADEEEDPLI 1231 YQHRMLRINL1265 QKAWGAARRV1275 SKDDWLEWLR1285 RLSLELLKDS1295 SSPSLRSCWA 1305 LAQAYNPMAR1315 DLFNAAFVSC1325 WSELNEDQQD1335 ELIRSIELAL1345 TSQDIAEVTQ 1355 TLLNLAEFME1365 HSDKGPLPLR1375 DDNGIVLLGE1385 RAAKCRAYAK1395 ALHYKELEFQ 1405 KGPTPAILES1415 LISINNKLQQ1425 PEAAAGVLEY1435 AMKHFGELEI1445 QATWYEKLHE 1455 WEDALVAYDK1465 KMDTNKDDPE1475 LMLGRMRCLE1485 ALGEWGQLHQ1495 QCCEKWTLVN 1505 DETQAKMARM1515 AAAAAWGLGQ1525 WDSMEEYTCM1535 IPRDTHDGAF1545 YRAVLALHQD 1555 LFSLAQQCID1565 KARDLLDAEL1575 TAMAGESYSR1585 AYGAMVSCHM1595 LSELEEVIQY 1605 KLVPERREII1615 RQIWWERLQG1625 CQRIVEDWQK1635 ILMVRSLVVS1645 PHEDMRTWLK 1655 YASLCGKSGR1665 LALAHKTLVL1675 LLGVDPSRQL1685 DHPLPTVHPQ1695 VTYAYMKNMW 1705 KSARKIDAFQ1715 HMQHFVQTMQ1725 QQAQHAIATE1735 DQQHKQELHK1745 LMARCFLKLG 1755 EWQLNLQGIN1765 ESTIPKVLQY1775 YSAATEHDRS1785 WYKAWHAWAV1795 MNFEAVLHYK 1805 HQNQALSKTL1877 LMYTVPAVQG1887 FFRSISLSRG1897 NNLQDTLRVL1907 TLWFDYGHWP 1917 DVNEALVEGV1927 KAIQIDTWLQ1937 VIPQLIARID1947 TPRPLVGRLI1957 HQLLTDIGRY 1967 HPQALIYPLT1977 VASKSTTTAR1987 HNAANKILKN1997 MCEHSNTLVQ2007 QAMMVSEELI 2017 RVAILWHEMW2027 HEGLEEASRL2037 YFGERNVKGM2047 FEVLEPLHAM2057 MERGPQTLKE 2067 TSFNQAYGRD2077 LMEAQEWCRK2087 YMKSGNVKDL2097 TQAWDLYYHV2107 FRRISKQLPQ 2117 LTSLELQYVS2127 PKLLMCRDLE2137 LAVPGTYDPN2147 QPIIRIQSIA2157 PSLQVITSKQ 2167 RPRKLTLMGS2177 NGHEFVFLLK2187 GHEDLRQDER2197 VMQLFGLVNT2207 LLANDPTSLR 2217 KNLSIQRYAV2227 IPLSTNSGLI2237 GWVPHCDTLH2247 ALIRDYREKK2257 KILLNIEHRI 2267 MLRMAPDYDH2277 LTLMQKVEVF2287 EHAVNNTAGD2297 DLAKLLWLKS2307 PSSEVWFDRR 2317 TNYTRSLAVM2327 SMVGYILGLG2337 DRHPSNLMLD2347 RLSGKILHID2357 FGDCFEVAMT 2367 REKFPEKIPF2377 RLTRMLTNAM2387 EVTGLDGNYR2397 ITCHTVMEVL2407 REHKDSVMAV 2417 LEAFVYDPLL2427 NWRLMDALNK2495 KAIQIINRVR2505 DKLTGRDFSH2515 DDTLDVPTQV 2525 ELLIKQATSH2535 ENLCQCYIGW2545 CPFW
|
|||||
|
|
ILE2163
4.342
SER2165
2.820
LYS2166
4.568
GLN2167
3.764
PRO2169
4.209
LEU2185
3.751
LYS2187
3.601
GLU2190
3.834
TYR2225
4.169
ILE2237
3.679
GLY2238
3.212
|
|||||
| PDB ID: 4JSP structure of mTORDeltaN-mLST8-ATPgammaS-Mg complex | ||||||
| Method | X-ray diffraction | Resolution | 3.30 Å | Mutation | No | [2] |
| PDB Sequence |
ERAAKCRAYA
1394 KALHYKELEF1404 QKGPTPAILE1414 SLISINNKLQ1424 QPEAAAGVLE1434 YAMKHFGELE 1444 IQATWYEKLH1454 EWEDALVAYD1464 KKMDTNKDDP1474 ELMLGRMRCL1484 EALGEWGQLH 1494 QQCCEKWTLV1504 NDETQAKMAR1514 MAAAAAWGLG1524 QWDSMEEYTC1534 MIPRDTHDGA 1544 FYRAVLALHQ1554 DLFSLAQQCI1564 DKARDLLDAE1574 LTAMAGESYS1584 RAYGAMVSCH 1594 MLSELEEVIQ1604 YKLVPERREI1614 IRQIWWERLQ1624 GCQRIVEDWQ1634 KILMVRSLVV 1644 SPHEDMRTWL1654 KYASLCGKSG1664 RLALAHKTLV1674 LLLGVDPSRQ1684 LDHPLPTVHP 1694 QVTYAYMKNM1704 WKSARKIDAF1714 QHMQHFVQTM1724 QQQAQHAIAT1734 EDQQHKQELH 1744 KLMARCFLKL1754 GEWQLNLQGI1764 NESTIPKVLQ1774 YYSAATEHDR1784 SWYKAWHAWA 1794 VMNFEAVLHY1804 KHQNQARDEK1814 KKVTEDLSKT1876 LLMYTVPAVQ1886 GFFRSISLSR 1896 GNNLQDTLRV1906 LTLWFDYGHW1916 PDVNEALVEG1926 VKAIQIDTWL1936 QVIPQLIARI 1946 DTPRPLVGRL1956 IHQLLTDIGR1966 YHPQALIYPL1976 TVASKSTTTA1986 RHNAANKILK 1996 NMCEHSNTLV2006 QQAMMVSEEL2016 IRVAILWHEM2026 WHEGLEEASR2036 LYFGERNVKG 2046 MFEVLEPLHA2056 MMERGPQTLK2066 ETSFNQAYGR2076 DLMEAQEWCR2086 KYMKSGNVKD 2096 LTQAWDLYYH2106 VFRRISKQLP2116 QLTSLELQYV2126 SPKLLMCRDL2136 ELAVPGTYDP 2146 NQPIIRIQSI2156 APSLQVITSK2166 QRPRKLTLMG2176 SNGHEFVFLL2186 KGHEDLRQDE 2196 RVMQLFGLVN2206 TLLANDPTSL2216 RKNLSIQRYA2226 VIPLSTNSGL2236 IGWVPHCDTL 2246 HALIRDYREK2256 KKILLNIEHR2266 IMLRMAPDYD2276 HLTLMQKVEV2286 FEHAVNNTAG 2296 DDLAKLLWLK2306 SPSSEVWFDR2316 RTNYTRSLAV2326 MSMVGYILGL2336 GDRHPSNLML 2346 DRLSGKILHI2356 DFGDCFEVAM2366 TREKFPEKIP2376 FRLTRMLTNA2386 MEVTGLDGNY 2396 RITCHTVMEV2406 LREHKDSVMA2416 VLEAFVYDPL2426 LNWRLMDTNT2436 ALNKKAIQII 2501 NRVRDKLTGR2511 DFSHDDTLDV2521 PTQVELLIKQ2531 ATSHENLCQC2541 YIGWCPFW |
|||||
|
|
ILE2163
4.196
SER2165
2.532
LYS2166
4.392
GLN2167
2.773
PRO2169
3.864
LEU2185
3.280
LYS2187
3.470
GLU2190
3.126
TYR2225
3.646
ILE2237
3.517
GLY2238
2.883
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | The 3.2-? resolution structure of human mTORC2. Sci Adv. 2020 Nov 6;6(45):eabc1251. | ||||
| REF 2 | mTOR kinase structure, mechanism and regulation. Nature. 2013 May 9;497(7448):217-23. | ||||
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