Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T97196 | Target Info | |||
| Target Name | ATM serine/threonine kinase (ATM) | ||||
| Synonyms | Serine-protein kinase ATM; Ataxia telangiectasia mutated; A-T mutated | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | ATM | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | AMP-PNP | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N | ||||
| InChI | 1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | PVKSNHVPLWYQGJ-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 33113 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 7SIC Human ATM Dimer | ||||||
| Method | Electron microscopy | Resolution | 2.51 Å | Mutation | No | [1] |
| PDB Sequence |
LNDLLICCRQ
14 LEHDRATERK24 KEVEKFKRLI34 RDPETIKHLD44 NWDAVFRFLQ65 KYIQKETECQ 87 ASRQKKMQEI97 SSLVKYFIKC107 ANRRAPRLKC117 QELLNYIMDT127 VKDSSNGAIY 137 GADCSNILLK147 DILSVRKYWC157 EISQQQWLEL167 FSVYFRLYLK177 PSQDVHRVLV 187 ARIIHAVTKG197 CCSQTDGLNS207 KFLDFFSKAI217 QCARQEKSSS227 GLNHILAALT 237 IFLKTLAVNF247 RIRVCELGDE257 ILPTLLYIWT267 QHRLNDSLKE277 VIIELFQLQI 287 YIHHPKGAKT297 QEKGAYESTK307 WRSILYNLYD317 LLVNEISHIG327 SRRNIAVKEN 344 LIELMADICH354 QVFNIELGWE394 VIKDHLQKSQ404 NDFDLVPWLQ414 IATQLISKYP 424 ASLPNCELSP434 LLMILSQLLP444 QQRHGERTPY454 VLRCLTEVAL464 CQDKRSNLES 474 SQKSDLLKLW484 NKIWCITFRG494 ISSEQIQAEN504 FGLLGAIIQG514 SLVEVDREFW 524 KLFTGSACRP534 SCPAVCCLTL544 ALTTSIVPGT554 FSLKESIMKW579 LLFYQLETEV 595 PPILHSNFPH605 LVLEKILVSL615 TMKNCKAAMN625 FFQSVPECSF645 SEVEELFLQT 655 TFDKMDFLTG679 FSVHQNLKES689 LDRCLLGLSE699 QLLNNYSSEI709 TNSETLVRCS 719 RLLVGVLGCY729 CYMGVIAEEE739 AYKSELFQKA749 KSLMQCAGES759 ITLFKNKTNE 769 EFRIGSLRNM779 MQLCTRCLSN789 CTKKSPNKIA799 SGFFLRLLTS809 KLMNDIADIC 819 KSLASFISTI879 GAINPLAEEY889 LSKQDLLFLD899 MLKFLCLCVT909 TAQTNTVSFR 919 AADIRRKLLM929 LIDSSTLEPT939 KSLHLHMYLM949 LLKELPGEEY959 PLPMEDVLEL 969 LKPLSNVCSL979 YRRDQDVCKT989 ILNHVLHVVK999 NLGQSNMDSE1009 NTRDAQGQFL 1019 TVIGAFWHLT1029 KERKYIFSVR1039 MALVNCLKTL1049 LEADPYSKWA1059 ILNVMGKDFP 1069 VNEVFTQFLA1079 DNHHQVRMLA1089 AESINRLFQD1099 TKLKALPLKL1115 QQTAFENAYL 1125 KAQEGMREME1142 TLDEIYNRKS1152 VLLTLIAVVL1162 SCSPICEKQA1172 LFALCKSVKE 1182 NGLEPHLVKK1192 VLEKVSETFG1202 YRRLEDFMAS1212 HLDYLVLEWL1222 NLQDTEYNLS 1232 SFPFILLNYT1242 NIEDFYRSCY1252 KVLIPHLVIR1262 SHFDEVKSIA1272 NQIQEDWKSL 1282 LTDCFPKILV1292 NILPYFAYEG1302 TRDSGMAQQR1312 ETATKVYDML1322 KSENLLGKQI 1332 DHLFISNLPE1342 IVVELLMTLH1352 EPDLDPAPNP1378 PHFPSHVIKA1388 TFAYISNCHK 1398 TKLKSILEIL1408 SKSPDSYQKI1418 LLAICEQAAE1428 TNNVYKKHRI1438 LKIYHLFVSL 1448 LLKDIKSGLG1458 GAWAFVLRDV1468 IYTLIHYINQ1478 RPSCIMDVSL1488 RSFSLCCDLL 1498 SQVCQTAVTY1508 CKDALENHLH1518 VIVGTLIPLV1528 YEQVEVQKQV1538 LDLLKYLVID 1548 NKDNENLYIT1558 IKLLDPFPDH1568 VVFKDLRITQ1578 QKIKYSRGPF1588 SLLEEINHFL 1598 SVSVYDALPL1608 TRLEGLKDLR1618 RQLELHKDQM1628 VDIMRASQDN1638 PQDGIMVKLV 1648 VNLLQLSKMA1658 INHTGEKEVL1668 EAVGSCLGEV1678 GPIDFSTIAI1688 QHSKDASYTK 1698 ALKLFEDKEL1708 QWTFIMLTYL1718 NNTLVEDCVK1728 VRSAAVTCLK1738 NILATKTGHS 1748 FWEIYKMTTD1758 PMLAYLQPFR1768 TSRKKFLEVP1778 RFDKENPFEG1788 LDDINLWIPL 1798 SENHDIWIKT1808 LTCAFLDSGG1818 TKCEILQLLK1828 PMCEVKTDFC1838 QTVLPYLIHD 1848 ILLQDTNESW1858 RNLLSTHVQG1868 FFTSCLRHCC1900 LDKKSQRTML1910 AVVDYMRRQK 1920 RPSSGTIFND1930 AFWLDLNYLE1940 VAKVAQSCAA1950 HFTALLYAEI1960 YADKKSMDDQ 1970 EKRSTTISSL1989 SEKSKEETGI1999 SLQDLLLEIY2009 RSIGEPDSLY2019 GCGGGKMLQP 2029 ITRLRTYEHE2039 AMWGKALVTY2049 DLETAIPSST2059 RQAGIIQALQ2069 NLGLCHILSV 2079 YLKGLDYENK2089 DWCPELEELH2099 YQAAWRNMQW2109 DHCGTSYHES2127 LYNALQSLRD 2137 REFSTFYESL2147 KYARVKEVEE2157 MCKRSLESVY2167 SLYPTLSRLQ2177 AIGELESIGE 2187 LFSRSVTHRQ2197 LSEVYIKWQK2207 HSQLLKDSDF2217 SFQEPIMALR2227 TVILEILMEK 2237 EMDNSQRECI2247 KDILTKHLVE2257 LSILARTFKN2267 TQLPERAIFQ2277 IKQYNSVSCG 2287 VSEWQLEEAQ2297 VFWAKKEQSL2307 ALSILKQMIK2317 KLDASCAANN2327 PSLKLTYTEC 2337 LRVCGNWLAE2347 TCLENPAVIM2357 QTYLEKAVEV2367 AGNYDGESSD2377 ELRNGKMKAF 2387 LSLARFSDTQ2397 YQRIENYMKS2407 SEFENKQALL2417 KRAKERYTVK2440 VQRELELDEL 2450 ALRALKEDRK2460 RFLCKAVENY2470 INCLLSGEEH2480 DMWVFRLCSL2490 WLENSGVSEV 2500 NGMMKRDGMK2510 IPTYKFLPLM2520 YQLAARMGTK2530 MMGGLGFHEV2540 LNNLISRISM 2550 DHPHHTLFII2560 LALANANRDE2570 FLTSSQLDED2597 RTEAANRIIC2607 TIRSRRPQMV 2617 RSVEALCDAY2627 IILANLDATQ2637 WKTQRKGINI2647 PADQPITKLK2657 NLEDVVVPTM 2667 EIKVDHTGEY2677 GNLVTIQSFK2687 AEFRLAGGVN2697 LPKIIDCVGS2707 DGKERRQLVK 2717 GRDDLRQDAV2727 MQQVFQMCNT2737 LLQRNTETRK2747 RKLTICTYKV2757 VPLSQRSGVL 2767 EWCTGTVPIG2777 EFLVNNEDGA2787 HKRYRPNDFS2797 AFQCQKKMME2807 VQKKSFEEKY 2817 EVFMDVCQNF2827 QPVFRYFCME2837 KFLDPAIWFE2847 KRLAYTRSVA2857 TSSIVGYILG 2867 LGDRHVQNIL2877 INEQSAELVH2887 IDLGVAFEQG2897 KILPTPETVP2907 FRLTRDIVDG 2917 MGITGVEGVF2927 RRCCEKTMEV2937 MRNSQETLLT2947 IVEVLLYDPL2957 FDWTMNPLKA 2967 LYLQQRPSFN3003 KVAERVLMRL3013 QEKLKGVEEG3023 TVLSVGGQVN3033 LLIQQAIDPK 3043 NLSRLFPGWK3053 AWV
|
|||||
|
|
ALA2693
4.239
GLY2694
3.436
GLY2695
4.218
VAL2696
4.171
ASN2697
4.069
PRO2699
4.858
LEU2715
3.786
LYS2717
3.014
ASP2720
4.489
TYR2755
3.901
LEU2767
3.356
|
|||||
| PDB ID: 7SID Human ATM Dimer Bound to Nbs1 | ||||||
| Method | Electron microscopy | Resolution | 2.53 Å | Mutation | No | [1] |
| PDB Sequence |
LNDLLICCRQ
14 LEHDRATERK24 KEVEKFKRLI34 RDPETIKHLD44 NWDAVFRFLQ65 KYIQKETECQ 87 ASRQKKMQEI97 SSLVKYFIKC107 ANRRAPRLKC117 QELLNYIMDT127 VKDSSNGAIY 137 GADCSNILLK147 DILSVRKYWC157 EISQQQWLEL167 FSVYFRLYLK177 PSQDVHRVLV 187 ARIIHAVTKG197 CCSQTDGLNS207 KFLDFFSKAI217 QCARQEKSSS227 GLNHILAALT 237 IFLKTLAVNF247 RIRVCELGDE257 ILPTLLYIWT267 QHRLNDSLKE277 VIIELFQLQI 287 YIHHPKGAKT297 QEKGAYESTK307 WRSILYNLYD317 LLVNEISHIG327 SRRNIAVKEN 344 LIELMADICH354 QVFNIELGWE394 VIKDHLQKSQ404 NDFDLVPWLQ414 IATQLISKYP 424 ASLPNCELSP434 LLMILSQLLP444 QQRHGERTPY454 VLRCLTEVAL464 CQDKRSNLES 474 SQKSDLLKLW484 NKIWCITFRG494 ISSEQIQAEN504 FGLLGAIIQG514 SLVEVDREFW 524 KLFTGSACRP534 SCPAVCCLTL544 ALTTSIVPGT554 FSLKESIMKW579 LLFYQLETEV 595 PPILHSNFPH605 LVLEKILVSL615 TMKNCKAAMN625 FFQSVPECSF645 SEVEELFLQT 655 TFDKMDFLTG679 FSVHQNLKES689 LDRCLLGLSE699 QLLNNYSSEI709 TNSETLVRCS 719 RLLVGVLGCY729 CYMGVIAEEE739 AYKSELFQKA749 KSLMQCAGES759 ITLFKNKTNE 769 EFRIGSLRNM779 MQLCTRCLSN789 CTKKSPNKIA799 SGFFLRLLTS809 KLMNDIADIC 819 KSLASFISTI879 GAINPLAEEY889 LSKQDLLFLD899 MLKFLCLCVT909 TAQTNTVSFR 919 AADIRRKLLM929 LIDSSTLEPT939 KSLHLHMYLM949 LLKELPGEEY959 PLPMEDVLEL 969 LKPLSNVCSL979 YRRDQDVCKT989 ILNHVLHVVK999 NLGQSNMDSE1009 NTRDAQGQFL 1019 TVIGAFWHLT1029 KERKYIFSVR1039 MALVNCLKTL1049 LEADPYSKWA1059 ILNVMGKDFP 1069 VNEVFTQFLA1079 DNHHQVRMLA1089 AESINRLFQD1099 TKLKALPLKL1115 QQTAFENAYL 1125 KAQEGMREME1142 TLDEIYNRKS1152 VLLTLIAVVL1162 SCSPICEKQA1172 LFALCKSVKE 1182 NGLEPHLVKK1192 VLEKVSETFG1202 YRRLEDFMAS1212 HLDYLVLEWL1222 NLQDTEYNLS 1232 SFPFILLNYT1242 NIEDFYRSCY1252 KVLIPHLVIR1262 SHFDEVKSIA1272 NQIQEDWKSL 1282 LTDCFPKILV1292 NILPYFAYEG1302 TRDSGMAQQR1312 ETATKVYDML1322 KSENLLGKQI 1332 DHLFISNLPE1342 IVVELLMTLH1352 EPDLDPAPNP1378 PHFPSHVIKA1388 TFAYISNCHK 1398 TKLKSILEIL1408 SKSPDSYQKI1418 LLAICEQAAE1428 TNNVYKKHRI1438 LKIYHLFVSL 1448 LLKDIKSGLG1458 GAWAFVLRDV1468 IYTLIHYINQ1478 RPSCIMDVSL1488 RSFSLCCDLL 1498 SQVCQTAVTY1508 CKDALENHLH1518 VIVGTLIPLV1528 YEQVEVQKQV1538 LDLLKYLVID 1548 NKDNENLYIT1558 IKLLDPFPDH1568 VVFKDLRITQ1578 QKIKYSRGPF1588 SLLEEINHFL 1598 SVSVYDALPL1608 TRLEGLKDLR1618 RQLELHKDQM1628 VDIMRASQDN1638 PQDGIMVKLV 1648 VNLLQLSKMA1658 INHTGEKEVL1668 EAVGSCLGEV1678 GPIDFSTIAI1688 QHSKDASYTK 1698 ALKLFEDKEL1708 QWTFIMLTYL1718 NNTLVEDCVK1728 VRSAAVTCLK1738 NILATKTGHS 1748 FWEIYKMTTD1758 PMLAYLQPFR1768 TSRKKFLEVP1778 RFDKENPFEG1788 LDDINLWIPL 1798 SENHDIWIKT1808 LTCAFLDSGG1818 TKCEILQLLK1828 PMCEVKTDFC1838 QTVLPYLIHD 1848 ILLQDTNESW1858 RNLLSTHVQG1868 FFTSCLRHCC1900 LDKKSQRTML1910 AVVDYMRRQK 1920 RPSSGTIFND1930 AFWLDLNYLE1940 VAKVAQSCAA1950 HFTALLYAEI1960 YADKKSMDDQ 1970 EKRSTTISSL1989 SEKSKEETGI1999 SLQDLLLEIY2009 RSIGEPDSLY2019 GCGGGKMLQP 2029 ITRLRTYEHE2039 AMWGKALVTY2049 DLETAIPSST2059 RQAGIIQALQ2069 NLGLCHILSV 2079 YLKGLDYENK2089 DWCPELEELH2099 YQAAWRNMQW2109 DHCGTSYHES2127 LYNALQSLRD 2137 REFSTFYESL2147 KYARVKEVEE2157 MCKRSLESVY2167 SLYPTLSRLQ2177 AIGELESIGE 2187 LFSRSVTHRQ2197 LSEVYIKWQK2207 HSQLLKDSDF2217 SFQEPIMALR2227 TVILEILMEK 2237 EMDNSQRECI2247 KDILTKHLVE2257 LSILARTFKN2267 TQLPERAIFQ2277 IKQYNSVSCG 2287 VSEWQLEEAQ2297 VFWAKKEQSL2307 ALSILKQMIK2317 KLDASCAANN2327 PSLKLTYTEC 2337 LRVCGNWLAE2347 TCLENPAVIM2357 QTYLEKAVEV2367 AGNYDGESSD2377 ELRNGKMKAF 2387 LSLARFSDTQ2397 YQRIENYMKS2407 SEFENKQALL2417 KRAKERYTVK2440 VQRELELDEL 2450 ALRALKEDRK2460 RFLCKAVENY2470 INCLLSGEEH2480 DMWVFRLCSL2490 WLENSGVSEV 2500 NGMMKRDGMK2510 IPTYKFLPLM2520 YQLAARMGTK2530 MMGGLGFHEV2540 LNNLISRISM 2550 DHPHHTLFII2560 LALANANRDE2570 FLTSSQLDED2597 RTEAANRIIC2607 TIRSRRPQMV 2617 RSVEALCDAY2627 IILANLDATQ2637 WKTQRKGINI2647 PADQPITKLK2657 NLEDVVVPTM 2667 EIKVDHTGEY2677 GNLVTIQSFK2687 AEFRLAGGVN2697 LPKIIDCVGS2707 DGKERRQLVK 2717 GRDDLRQDAV2727 MQQVFQMCNT2737 LLQRNTETRK2747 RKLTICTYKV2757 VPLSQRSGVL 2767 EWCTGTVPIG2777 EFLVNNEDGA2787 HKRYRPNDFS2797 AFQCQKKMME2807 VQKKSFEEKY 2817 EVFMDVCQNF2827 QPVFRYFCME2837 KFLDPAIWFE2847 KRLAYTRSVA2857 TSSIVGYILG 2867 LGDRHVQNIL2877 INEQSAELVH2887 IDLGVAFEQG2897 KILPTPETVP2907 FRLTRDIVDG 2917 MGITGVEGVF2927 RRCCEKTMEV2937 MRNSQETLLT2947 IVEVLLYDPL2957 FDWTMNPLKA 2967 LYLQQRPSFN3003 KVAERVLMRL3013 QEKLKGVEEG3023 TVLSVGGQVN3033 LLIQQAIDPK 3043 NLSRLFPGWK3053 AWV
|
|||||
|
|
ALA2693
4.145
GLY2694
3.188
GLY2695
4.741
VAL2696
4.414
ASN2697
4.848
PRO2699
3.427
LEU2715
3.983
LYS2717
3.155
ASP2720
4.803
TYR2755
4.110
LEU2767
3.289
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structure of the human ATM kinase and mechanism of Nbs1 binding. Elife. 2022 Jan 25;11:e74218. | ||||
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