Binding Site Information of Target
| 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 | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Sirolimus | Ligand Info | |||||
| Structure Description | Co-crystal structure of the PPIase domain of FKBP51, Rapamycin and the FRB fragment of mTOR | PDB:4DRI | ||||
| Method | X-ray diffraction | Resolution | 1.45 Å | Mutation | No | [1] |
| PDB Sequence |
GAMDPEFMEM
2026 WHEGLEEASR2036 LYFGERNVKG2046 MFEVLEPLHA2056 MMERGPQTLK2066 ETSFNQAYGR 2076 DLMEAQEWCR2086 KYMKSGNVKD2096 LTQAWDLYYH2106 VFRRIS
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Myo-inositol hexaphosphate | Ligand Info | |||||
| Structure Description | cryo-EM structure of human mTOR complex 2, focused on one half | PDB:6ZWO | ||||
| Method | Electron microscopy | Resolution | 3.00 Å | Mutation | No | [2] |
| 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
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: PP-242 | Ligand Info | |||||
| Structure Description | mTORdeltaN-mLST8-pp242 complex | PDB:4JT5 | ||||
| Method | X-ray diffraction | Resolution | 3.45 Å | Mutation | No | [3] |
| 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 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .P2X or .P2X2 or .P2X3 or :3P2X;style chemicals stick;color identity;select .B:2163 or .B:2185 or .B:2187 or .B:2192 or .B:2195 or .B:2199 or .B:2225 or .B:2227 or .B:2237 or .B:2238 or .B:2239 or .B:2240 or .B:2245 or .B:2345 or .B:2356 or .B:2357 or .B:2358; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: adenosine diphosphate | Ligand Info | |||||
| Structure Description | mTOR kinase structure, mechanism and regulation. | PDB:4JSV | ||||
| Method | X-ray diffraction | Resolution | 3.50 Å | Mutation | No | [3] |
| 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 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .B:2163 or .B:2165 or .B:2167 or .B:2185 or .B:2187 or .B:2190 or .B:2225 or .B:2237 or .B:2238 or .B:2239 or .B:2240 or .B:2245 or .B:2342 or .B:2343 or .B:2345 or .B:2356 or .B:2357; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Torin2 | Ligand Info | |||||
| Structure Description | structure of mTORDeltaN-mLST8-Torin2 complex | PDB:4JSX | ||||
| Method | X-ray diffraction | Resolution | 3.50 Å | Mutation | No | [3] |
| 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 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .17G or .17G2 or .17G3 or :317G;style chemicals stick;color identity;select .B:2163 or .B:2165 or .B:2169 or .B:2185 or .B:2187 or .B:2190 or .B:2195 or .B:2225 or .B:2237 or .B:2238 or .B:2239 or .B:2240 or .B:2243 or .B:2244 or .B:2245 or .B:2342 or .B:2345 or .B:2356 or .B:2357; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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ILE2163
3.932
SER2165
4.906
PRO2169
3.958
LEU2185
3.386
LYS2187
3.944
GLU2190
3.648
ASP2195
4.553
TYR2225
4.194
ILE2237
3.445
GLY2238
3.444
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| Ligand Name: PI-103 | Ligand Info | |||||
| Structure Description | structure of mTORDeltaN-mLST8-PI-103 complex | PDB:4JT6 | ||||
| Method | X-ray diffraction | Resolution | 3.60 Å | Mutation | No | [3] |
| 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 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .X6K or .X6K2 or .X6K3 or :3X6K;style chemicals stick;color identity;select .B:2163 or .B:2169 or .B:2185 or .B:2187 or .B:2190 or .B:2192 or .B:2195 or .B:2225 or .B:2237 or .B:2238 or .B:2239 or .B:2240 or .B:2345 or .B:2354 or .B:2356 or .B:2357 or .B:2358; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: S-(Dimethylarsenic)Cysteine | Ligand Info | |||||
| Structure Description | Co-crystal structure of the FK506 binding domain of human FKBP25, Rapamycin and the FRB domain of human mTOR | PDB:5GPG | ||||
| Method | X-ray diffraction | Resolution | 1.67 Å | Mutation | No | [4] |
| PDB Sequence |
SILWHEMWHE
2029 GLEEASRLYF2039 GERNVKGMFE2049 VLEPLHAMME2059 RGPQTLKETS2069 FNQAYGRDLM 2079 EAQEWRKYMK2090 SGNVKDLTQA2100 WDLYYHVFRR2110 IS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .CAS or .CAS2 or .CAS3 or :3CAS;style chemicals stick;color identity;select .B:2038 or .B:2044 or .B:2047 or .B:2048 or .B:2080 or .B:2081 or .B:2082 or .B:2083 or .B:2084 or .B:2086 or .B:2087 or .B:2088 or .B:2089 or .B:2096 or .B:2097 or .B:2100 or .B:2101 or .B:2104; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Phosphothiophosphoric acid-adenylate ester | Ligand Info | |||||
| Structure Description | cryo-EM structure of human mTOR complex 2, focused on one half | PDB:6ZWO | ||||
| Method | Electron microscopy | Resolution | 3.00 Å | Mutation | No | [2] |
| 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
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .AGS or .AGS2 or .AGS3 or :3AGS;style chemicals stick;color identity;select .B:2163 or .B:2165 or .B:2166 or .B:2167 or .B:2169 or .B:2185 or .B:2187 or .B:2190 or .B:2225 or .B:2237 or .B:2238 or .B:2239 or .B:2240 or .B:2245 or .B:2340 or .B:2342 or .B:2343 or .B:2345 or .B:2354 or .B:2356 or .B:2357; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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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
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Trifluoromagnesate(1-) | Ligand Info | |||||
| Structure Description | mTOR kinase structure, mechanism and regulation. | PDB:4JSV | ||||
| Method | X-ray diffraction | Resolution | 3.50 Å | Mutation | No | [3] |
| 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 |
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .MGF or .MGF2 or .MGF3 or :3MGF;style chemicals stick;color identity;select .B:2338 or .B:2340 or .B:2343 or .B:2357; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: C15-(R)-Methylthienyl rapamycin | Ligand Info | |||||
| Structure Description | ATOMIC STRUCTURES OF THE RAPAMYCIN ANALOGS IN COMPLEX WITH BOTH HUMAN FKBP12 AND FRB DOMAIN OF FRAP | PDB:3FAP | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | No | [5] |
| PDB Sequence |
VAILWHEMWH
117 EGLEEASRLY127 FGERNVKGMF137 EVLEPLHAMM147 ERGPQTLKET157 SFNQAYGRDL 167 MEAQEWCRKY177 MKSGNVKDLT187 QAWDLYYHVF197 RRIS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .ARD or .ARD2 or .ARD3 or :3ARD;style chemicals stick;color identity;select .B:120 or .B:121 or .B:124 or .B:125 or .B:128 or .B:129 or .B:184 or .B:187 or .B:188 or .B:190 or .B:191 or .B:194 or .B:197; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: C49-Methyl rapamycin | Ligand Info | |||||
| Structure Description | THE STRUCTURE OF THE IMMUNOPHILIN-IMMUNOSUPPRESSANT FKBP12-RAPAMYCIN COMPLEX INTERACTING WITH HUMAN FRAP | PDB:1NSG | ||||
| Method | X-ray diffraction | Resolution | 2.20 Å | Mutation | No | [5] |
| PDB Sequence |
VAILWHEMWH
2028 EGLEEASRLY2038 FGERNVKGMF2048 EVLEPLHAMM2058 ERGPQTLKET2068 SFNQAYGRDL 2078 MEAQEWCRKY2088 MKSGNVKDLT2098 QAWDLYYHVF2108 RRIS
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Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .RAD or .RAD2 or .RAD3 or :3RAD;style chemicals stick;color identity;select .B:2031 or .B:2032 or .B:2035 or .B:2036 or .B:2039 or .B:2040 or .B:2098 or .B:2101 or .B:2102 or .B:2105 or .B:2108; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Large FK506-binding proteins shape the pharmacology of rapamycin. Mol Cell Biol. 2013 Apr;33(7):1357-67. | ||||
| REF 2 | The 3.2-? resolution structure of human mTORC2. Sci Adv. 2020 Nov 6;6(45):eabc1251. | ||||
| REF 3 | mTOR kinase structure, mechanism and regulation. Nature. 2013 May 9;497(7448):217-23. | ||||
| REF 4 | Proximity-Directed Labeling Reveals a New Rapamycin-Induced Heterodimer of FKBP25 and FRB in Live Cells. ACS Cent Sci. 2016 Aug 24;2(8):506-16. | ||||
| REF 5 | Refined structure of the FKBP12-rapamycin-FRB ternary complex at 2.2 A resolution. Acta Crystallogr D Biol Crystallogr. 1999 Apr;55(Pt 4):736-44. | ||||
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