Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T81735 | Target Info | |||
| Target Name | DNA-dependent protein kinase catalytic (PRKDC) | ||||
| Synonyms | p460; HYRC1; HYRC; DNPK1; DNA-dependent protein kinase catalytic subunit; DNA-PKcs; DNA-PK catalytic subunit | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | PRKDC | ||||
| Biochemical Class | Kinase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Adenosine triphosphate | Ligand Info | |||||
| Structure Description | DNA-PK complex of DNA end processing | PDB:7SGL | ||||
| Method | Electron microscopy | Resolution | 3.00 Å | Mutation | No | [1] |
| PDB Sequence |
MAGSGAGVRC
10 SLLRLQETLS20 AADRCGAALA30 GHQLIRGLGQ40 ECVLSSSPAV50 LALQTSLVFS 60 RDFGLLVFVR70 KSLNSIEFRE80 CREEILKFLC90 IFLEKMGQKI100 APYSVEIKNT 110 CTSVYTKDRA120 AKCKIPALDL130 LIKLLQTFRS140 SRLMDEFKIG150 ELFSKFYGEL 160 ALKKKIPDTV170 LEKVYELLGL180 LGEVHPSEMI190 NNAENLFRAF200 LGELKTQMTS 210 AVREPKLPVL220 AGCLKGLSSL230 LCNFTKSMEE240 DPQTSREIFN250 FVLKAIRPQI 260 DLKRYAVPSA270 GLRLFALHAS280 QFSTCLLDNY290 VSLFEVLLKW300 CAHTNVELKK 310 AALSALESFL320 KQVSNMVAKN330 AEMHKNKLQY340 FMEQFYGIIR350 NVDSNNKELS 360 IAIRGYGLFA370 GPCKVINAKD380 VDFMYVELIQ390 RCKQMFLTQT400 DTGDDRVYQM 410 PSFLQSVASV420 LLYLDTVPEV430 YTPVLEHLVV440 MQIDSFPQYS450 PKMQLVCCRA 460 IVKVFLALAA470 KGPVLRNCIS480 TVVHQGLIRI490 CSKPVVLPKG500 PESESEDHRA 510 SGEVRTGKWK520 VPTYKDYVDL530 FRHLLSSDQM540 MDSILADEAF550 FSVNSSSESL 560 NHLLYDEFVK570 SVLKIVEKLD580 LTLEIDPAAN611 LHPAKPKDFS621 AFINLVEFCR 631 EILPEKQAEF641 FEPWVYSFSY651 ELILQSTRLP661 LISGFYKLLS671 ITVRNAKKIK 681 YFEGVSDPEK700 YSCFALFVKF710 GKEVAVKMKQ720 YKDELLASCL730 TFLLSLPHNI 740 IELDVRAYVP750 ALQMAFKLGL760 SYTPLAEVGL770 NALEEWSIYI780 DRHVMQPYYK 790 DILPCLDGYL800 KTNWEVSALS819 RAAAISLEEI851 RIRVVQMLGS861 LGGQINKNLL 871 TVTSSDEMMK881 SYVAWDREKR891 LSFAVPFREM901 KPVIFLDVFL911 PRVTELALTA 921 SDRQTKVAAC931 ELLHSMVMFM941 LGKATQMPEG951 GQGAPPMYQL961 YKRTFPVLLR 971 LACDVDQVTR981 QLYEPLVMQL991 IHWFTNNKKF1001 ESQDTVALLE1011 AILDGIVDPV 1021 DSTLRDFCGR1031 CIREFLKWSI1041 KQITPQQQEK1051 SPVNTKSLFK1061 RLYSLALHPN 1071 AFKRLGASLA1081 FNNIYREFRE1091 EESLVEQFVF1101 EALVIYMESL1111 ALAHADEKSL 1121 GTIQQCCDAI1131 DHLCRIIEKK1141 HVSLNKAKKR1151 RLPRGFPPSA1161 SLCLLDLVKW 1171 LLAHCGRPQT1181 ECRHKSIELF1191 YKFVPLLPGN1201 RSPNLWLKDV1211 LKEEGVSFLI 1221 NTFEGGGCGQ1231 PSGILAQPTL1241 LYLRGPFSLQ1251 ATLCWLDLLL1261 AALECYNTFI 1271 GERTVGALQV1281 LGTEAQSSLL1291 KAVAFFLESI1301 AMHDIIAAEK1311 CFGTGAAGNR 1321 TSPQEGERYN1331 YSKCTVVVRI1341 MEFTTTLLNT1351 SPEGWKLLKK1361 DLCNTHLMRV 1371 LVQTLCEPAS1381 IGFNIGDVQV1391 MAHLPDVCVN1401 LMKALKMSPY1411 KDILETHLRE 1421 KITAQSIEEL1431 CAVNLYGPDA1441 QVDRSRLAAV1451 VSACKQLHRA1461 GLLHNILPSQ 1471 STDLHHSVGT1481 ELLSLVYKGI1491 APGDERQCLP1501 SLDLSCKQLA1511 SGLLELAFAF 1521 GGLCERLVSL1531 LLNPAVLSTS1549 VIHFSHGEYF1559 YSLFSETINT1569 ELLKNLDLAV 1579 LELMQSSVDN1589 TKMVSAVLNG1599 MLDQSFRERA1609 NQKHQGLKLA1619 TTILQHWKKC 1629 DSWWAKDSPL1639 ETKMAVLALL1649 AKILQIDSSV1659 SFNTSHGSFP1669 EVFTTYISLL 1679 ADTKLDLHLK1689 GQAVTLLPFF1699 TSLTGGSLEE1709 LRRVLEQLIV1719 AHFPMQSREF 1729 PPGTPRFNNY1739 VDCMKKFLDA1749 LELSQSPMLL1759 ELMTEVLCRE1769 QQHVMEELFQ 1779 SSFRRIARRG1789 SCVTQVGLLE1799 SVYEMFRKDD1809 PRLSFTRQSF1819 VDRSLLTLLW 1829 HCSLDALREF1839 FSTIVVDAID1849 VLKSRFTKLN1859 ESTFDTQITK1869 KMGYYKILDV 1879 MYSRLPKDDV1889 HAKESKINQV1899 FHGSCITEGN1909 ELTKTLIKLC1919 YDAFTENMAG 1929 ENQLLERRRL1939 YHCAAYNCAI1949 SVICCVFNEL1959 KFYQGFLFSE1969 KPEKNLLIFE 1979 NLIDLKRRYN1989 FPVEVEVPME1999 RKKKYIEIRK2009 EAREAANGDS2019 DGPSYMSSLS 2029 YLADSTLSEE2039 MSQFDFSTGV2049 QSYSYSSQLE2084 MDELNRHECM2094 APLTALVKHM 2104 HRSPRDLPSW2125 MKFLHGKLGN2135 PIVPLNIRLF2145 LAKLVINTEE2155 VFRPYAKHWL 2165 SPLLQLAASE2175 NNGGEGIHYM2185 VVEIVATILS2195 WTGLATPTGV2205 PKDEVLANRL 2215 LNFLMKHVFH2225 PKRAVFRHNL2235 EIIKTLVECW2245 KDCLSIPYRL2255 IFEKFSGKDP 2265 NSKDNSVGIQ2275 LLGIVMANDL2285 PPYDPQCGIQ2295 SSEYFQALVN2305 NMSFVRYKEV 2315 YAAAAEVLGL2325 ILRYVMERKN2335 ILEESLCELV2345 AKQLKQHQNT2355 MEDKFIVCLN 2365 KVTKSFPPLA2375 DRFMNAVFFL2385 LPKFHGVLKT2395 LCLEVVLCRV2405 EGMTELYFQL 2415 KSKDFVQVMR2425 HRDDERQKVC2435 LDIIYKMMPK2445 LKPVELRELL2455 NPVVEFVSHP 2465 STTCREQMYN2475 ILMWIHDNYR2485 DPESETDNDS2495 QEIFKLAKDV2505 LIQGLIDENP 2515 GLQLIIRNFW2525 SHETRLPSNT2535 LDRLLALNSL2545 YSPKIEVHFL2555 SLATNFLLEM 2565 TSMSPDYPNP2575 MFEHPLSECE2585 FQEYTIDSDW2595 RFRSTVLTPM2605 FVEQASQGPV 2631 AGQIRAQQQH2642 DFLQTQVVLY2772 RSYRHGDLPD2782 IQIKHSSLIT2792 PLQAVAQRDP 2802 IIAKQLFSSL2812 FSGILKEMDK2822 FKTLSEKNNI2832 TQKLLQDFNR2842 FLNTTFSFFP 2852 PFVSCIQDIS2862 CQHAALLSLD2872 PAAVSAGCLA2882 SLQQPVGIRL2892 LEEALLRLLP 2902 ALPPDVLRWV2924 ELAKLYRSIG2934 EYDVLRGIFT2944 SEIGTKQITQ2954 SALLAEARSD 2964 YSEAAKQYDE2974 ALNKQDWVDG2984 EPTEAEKDFW2994 ELASLDCYNH3004 LAEWKSLEYC 3014 STASIDSENP3024 PDLNKIWSEP3034 FYQETYLPYM3044 IRSKLKLLLQ3054 GEADQSLLTF 3064 IDKAMHGELQ3074 KAILELHYSQ3084 ELSLLYLLQD3094 DVDRAKYYIQ3104 NGIQSFMQNY 3114 SSIDVLLHQS3124 RLTKLQSVQA3134 LTEIQEFISF3144 ISKQGNLSSQ3154 VPLKRLLNTW 3164 TNRYPDAKMD3174 PMNIWDDIIT3184 NRCFFLSKIE3194 EKLTEDISSL3230 IRSCKFSMKM 3240 KMIDSARKQN3250 NFSLAMKLLK3260 ELHKESKTRD3270 DWLVSWVQSY3280 CRLSHCRSRS 3290 QGCSEQVLTV3300 LKTVSLLDEN3310 NVSSYLSKNI3320 LAFRDQNILL3330 GTTYRIIANA 3340 LSSEPACLAE3350 IEEDKARRIL3360 ELSGSSSEDS3370 EKVIAGLYQR3380 AFQHLSEAVQ 3390 AAEEEAQPPS3400 WSCGPAAGVI3410 DAYMTLADFC3420 DQQLRKEEEN3430 ASVIDSAELQ 3440 AYPALVVEKM3450 LKALKLNSNE3460 ARLKFPRLLQ3470 IIERYPEETL3480 SLMTKEISSV 3490 PCWQFISWIS3500 HMVALLDKDQ3510 AVAVQHSVEE3520 ITDNYPQAIV3530 YPFIISSESY 3540 SFKDTSTGHK3550 NKEFVARIKS3560 KLDQGGVIQD3570 FINALDQLSN3580 PELLFKDWSN 3590 DVRAELAKTP3600 VNKKNIEKMY3610 ERMYAALGDP3620 KAPGLGAFRR3630 KFIQTFGKEF 3640 DKHFGKGGSK3650 LLRMKLSDFN3660 DITNMLLLKM3670 NKDSKPPGNL3680 KECSPWMSDF 3690 KVEFLRNELE3700 IPGQYDGRGK3710 PLPEYHVRIA3720 GFDERVTVMA3730 SLRRPKRIII 3740 RGHDEREHPF3750 LVKGGEDLRQ3760 DQRVEQLFQV3770 MNGILAQDSA3780 CSQRALQLRT 3790 YSVVPMTSRL3800 GLIEWLENTV3810 TLKDLLLNTM3820 SQEEKAAYLS3830 DPRAPPCEYK 3840 DWLTKMSGKH3850 DVGAYMLMYK3860 GANRTETVTS3870 FRKRESKVPA3880 DLLKRAFVRM 3890 STSPEAFLAL3900 RSHFASSHAL3910 ICISHWILGI3920 GDRHLNNFMV3930 AMETGGVIGI 3940 DFGHAFGSAT3950 QFLPVPELMP3960 FRLTRQFINL3970 MLPMKETGLM3980 YSIMVHALRA 3990 FRSDPGLLTN4000 TMDVFVKEPS4010 FDWKNFEQKM4020 LKKGGSWIQE4030 INVAEKNWYP 4040 RQKICYAKRK4050 LAGANPAVIT4060 CDELLLGHEK4070 APAFRDYVAV4080 ARGSKDHNIR 4090 AQEPESGLSE4100 ETQVKCLMDQ4110 ATDPNILGRT4120 WEGWEPWM
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PHE2597
4.309
MET3729
3.915
SER3731
3.843
ARG3733
4.969
PRO3735
4.207
LEU3751
3.741
LYS3753
2.920
TYR3791
4.497
ILE3803
3.697
GLU3804
3.160
TRP3805
3.217
|
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: M3814 | Ligand Info | |||||
| Structure Description | DNA-PKcs in complex with M3814 | PDB:7OTY | ||||
| Method | Electron microscopy | Resolution | 2.96 Å | Mutation | No | [2] |
| PDB Sequence |
.
|
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|
|
MET3729
3.781
ALA3730
2.650
SER3731
3.401
PRO3735
3.769
ARG3737
3.868
LEU3751
3.843
LYS3753
2.654
ASP3761
4.828
TYR3791
3.715
ILE3803
3.298
GLU3804
3.609
|
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| Ligand Name: AZD7648 | Ligand Info | |||||
| Structure Description | DNA-PKcs in complex with AZD7648 | PDB:7OTW | ||||
| Method | Electron microscopy | Resolution | 2.99 Å | Mutation | No | [2] |
| PDB Sequence |
.
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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 .MBW or .MBW2 or .MBW3 or :3MBW;style chemicals stick;color identity;select .A:3729 or .A:3731 or .A:3751 or .A:3753 or .A:3791 or .A:3803 or .A:3804 or .A:3805 or .A:3806 or .A:3809 or .A:3810 or .A:3811 or .A:3814 or .A:3926 or .A:3929 or .A:3940 or .A:3941; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Phosphonothreonine | Ligand Info | |||||
| Structure Description | DNA-PK complex of DNA end processing | PDB:7SGL | ||||
| Method | Electron microscopy | Resolution | 3.00 Å | Mutation | No | [1] |
| PDB Sequence |
MAGSGAGVRC
10 SLLRLQETLS20 AADRCGAALA30 GHQLIRGLGQ40 ECVLSSSPAV50 LALQTSLVFS 60 RDFGLLVFVR70 KSLNSIEFRE80 CREEILKFLC90 IFLEKMGQKI100 APYSVEIKNT 110 CTSVYTKDRA120 AKCKIPALDL130 LIKLLQTFRS140 SRLMDEFKIG150 ELFSKFYGEL 160 ALKKKIPDTV170 LEKVYELLGL180 LGEVHPSEMI190 NNAENLFRAF200 LGELKTQMTS 210 AVREPKLPVL220 AGCLKGLSSL230 LCNFTKSMEE240 DPQTSREIFN250 FVLKAIRPQI 260 DLKRYAVPSA270 GLRLFALHAS280 QFSTCLLDNY290 VSLFEVLLKW300 CAHTNVELKK 310 AALSALESFL320 KQVSNMVAKN330 AEMHKNKLQY340 FMEQFYGIIR350 NVDSNNKELS 360 IAIRGYGLFA370 GPCKVINAKD380 VDFMYVELIQ390 RCKQMFLTQT400 DTGDDRVYQM 410 PSFLQSVASV420 LLYLDTVPEV430 YTPVLEHLVV440 MQIDSFPQYS450 PKMQLVCCRA 460 IVKVFLALAA470 KGPVLRNCIS480 TVVHQGLIRI490 CSKPVVLPKG500 PESESEDHRA 510 SGEVRTGKWK520 VPTYKDYVDL530 FRHLLSSDQM540 MDSILADEAF550 FSVNSSSESL 560 NHLLYDEFVK570 SVLKIVEKLD580 LTLEIDPAAN611 LHPAKPKDFS621 AFINLVEFCR 631 EILPEKQAEF641 FEPWVYSFSY651 ELILQSTRLP661 LISGFYKLLS671 ITVRNAKKIK 681 YFEGVSDPEK700 YSCFALFVKF710 GKEVAVKMKQ720 YKDELLASCL730 TFLLSLPHNI 740 IELDVRAYVP750 ALQMAFKLGL760 SYTPLAEVGL770 NALEEWSIYI780 DRHVMQPYYK 790 DILPCLDGYL800 KTNWEVSALS819 RAAAISLEEI851 RIRVVQMLGS861 LGGQINKNLL 871 TVTSSDEMMK881 SYVAWDREKR891 LSFAVPFREM901 KPVIFLDVFL911 PRVTELALTA 921 SDRQTKVAAC931 ELLHSMVMFM941 LGKATQMPEG951 GQGAPPMYQL961 YKRTFPVLLR 971 LACDVDQVTR981 QLYEPLVMQL991 IHWFTNNKKF1001 ESQDTVALLE1011 AILDGIVDPV 1021 DSTLRDFCGR1031 CIREFLKWSI1041 KQITPQQQEK1051 SPVNTKSLFK1061 RLYSLALHPN 1071 AFKRLGASLA1081 FNNIYREFRE1091 EESLVEQFVF1101 EALVIYMESL1111 ALAHADEKSL 1121 GTIQQCCDAI1131 DHLCRIIEKK1141 HVSLNKAKKR1151 RLPRGFPPSA1161 SLCLLDLVKW 1171 LLAHCGRPQT1181 ECRHKSIELF1191 YKFVPLLPGN1201 RSPNLWLKDV1211 LKEEGVSFLI 1221 NTFEGGGCGQ1231 PSGILAQPTL1241 LYLRGPFSLQ1251 ATLCWLDLLL1261 AALECYNTFI 1271 GERTVGALQV1281 LGTEAQSSLL1291 KAVAFFLESI1301 AMHDIIAAEK1311 CFGTGAAGNR 1321 TSPQEGERYN1331 YSKCTVVVRI1341 MEFTTTLLNT1351 SPEGWKLLKK1361 DLCNTHLMRV 1371 LVQTLCEPAS1381 IGFNIGDVQV1391 MAHLPDVCVN1401 LMKALKMSPY1411 KDILETHLRE 1421 KITAQSIEEL1431 CAVNLYGPDA1441 QVDRSRLAAV1451 VSACKQLHRA1461 GLLHNILPSQ 1471 STDLHHSVGT1481 ELLSLVYKGI1491 APGDERQCLP1501 SLDLSCKQLA1511 SGLLELAFAF 1521 GGLCERLVSL1531 LLNPAVLSTS1549 VIHFSHGEYF1559 YSLFSETINT1569 ELLKNLDLAV 1579 LELMQSSVDN1589 TKMVSAVLNG1599 MLDQSFRERA1609 NQKHQGLKLA1619 TTILQHWKKC 1629 DSWWAKDSPL1639 ETKMAVLALL1649 AKILQIDSSV1659 SFNTSHGSFP1669 EVFTTYISLL 1679 ADTKLDLHLK1689 GQAVTLLPFF1699 TSLTGGSLEE1709 LRRVLEQLIV1719 AHFPMQSREF 1729 PPGTPRFNNY1739 VDCMKKFLDA1749 LELSQSPMLL1759 ELMTEVLCRE1769 QQHVMEELFQ 1779 SSFRRIARRG1789 SCVTQVGLLE1799 SVYEMFRKDD1809 PRLSFTRQSF1819 VDRSLLTLLW 1829 HCSLDALREF1839 FSTIVVDAID1849 VLKSRFTKLN1859 ESTFDTQITK1869 KMGYYKILDV 1879 MYSRLPKDDV1889 HAKESKINQV1899 FHGSCITEGN1909 ELTKTLIKLC1919 YDAFTENMAG 1929 ENQLLERRRL1939 YHCAAYNCAI1949 SVICCVFNEL1959 KFYQGFLFSE1969 KPEKNLLIFE 1979 NLIDLKRRYN1989 FPVEVEVPME1999 RKKKYIEIRK2009 EAREAANGDS2019 DGPSYMSSLS 2029 YLADSTLSEE2039 MSQFDFSTGV2049 QSYSYSSQLE2084 MDELNRHECM2094 APLTALVKHM 2104 HRSPRDLPSW2125 MKFLHGKLGN2135 PIVPLNIRLF2145 LAKLVINTEE2155 VFRPYAKHWL 2165 SPLLQLAASE2175 NNGGEGIHYM2185 VVEIVATILS2195 WTGLATPTGV2205 PKDEVLANRL 2215 LNFLMKHVFH2225 PKRAVFRHNL2235 EIIKTLVECW2245 KDCLSIPYRL2255 IFEKFSGKDP 2265 NSKDNSVGIQ2275 LLGIVMANDL2285 PPYDPQCGIQ2295 SSEYFQALVN2305 NMSFVRYKEV 2315 YAAAAEVLGL2325 ILRYVMERKN2335 ILEESLCELV2345 AKQLKQHQNT2355 MEDKFIVCLN 2365 KVTKSFPPLA2375 DRFMNAVFFL2385 LPKFHGVLKT2395 LCLEVVLCRV2405 EGMTELYFQL 2415 KSKDFVQVMR2425 HRDDERQKVC2435 LDIIYKMMPK2445 LKPVELRELL2455 NPVVEFVSHP 2465 STTCREQMYN2475 ILMWIHDNYR2485 DPESETDNDS2495 QEIFKLAKDV2505 LIQGLIDENP 2515 GLQLIIRNFW2525 SHETRLPSNT2535 LDRLLALNSL2545 YSPKIEVHFL2555 SLATNFLLEM 2565 TSMSPDYPNP2575 MFEHPLSECE2585 FQEYTIDSDW2595 RFRSTVLTPM2605 FVEQASQGPV 2631 AGQIRAQQQH2642 DFLQTQVVLY2772 RSYRHGDLPD2782 IQIKHSSLIT2792 PLQAVAQRDP 2802 IIAKQLFSSL2812 FSGILKEMDK2822 FKTLSEKNNI2832 TQKLLQDFNR2842 FLNTTFSFFP 2852 PFVSCIQDIS2862 CQHAALLSLD2872 PAAVSAGCLA2882 SLQQPVGIRL2892 LEEALLRLLP 2902 ALPPDVLRWV2924 ELAKLYRSIG2934 EYDVLRGIFT2944 SEIGTKQITQ2954 SALLAEARSD 2964 YSEAAKQYDE2974 ALNKQDWVDG2984 EPTEAEKDFW2994 ELASLDCYNH3004 LAEWKSLEYC 3014 STASIDSENP3024 PDLNKIWSEP3034 FYQETYLPYM3044 IRSKLKLLLQ3054 GEADQSLLTF 3064 IDKAMHGELQ3074 KAILELHYSQ3084 ELSLLYLLQD3094 DVDRAKYYIQ3104 NGIQSFMQNY 3114 SSIDVLLHQS3124 RLTKLQSVQA3134 LTEIQEFISF3144 ISKQGNLSSQ3154 VPLKRLLNTW 3164 TNRYPDAKMD3174 PMNIWDDIIT3184 NRCFFLSKIE3194 EKLTEDISSL3230 IRSCKFSMKM 3240 KMIDSARKQN3250 NFSLAMKLLK3260 ELHKESKTRD3270 DWLVSWVQSY3280 CRLSHCRSRS 3290 QGCSEQVLTV3300 LKTVSLLDEN3310 NVSSYLSKNI3320 LAFRDQNILL3330 GTTYRIIANA 3340 LSSEPACLAE3350 IEEDKARRIL3360 ELSGSSSEDS3370 EKVIAGLYQR3380 AFQHLSEAVQ 3390 AAEEEAQPPS3400 WSCGPAAGVI3410 DAYMTLADFC3420 DQQLRKEEEN3430 ASVIDSAELQ 3440 AYPALVVEKM3450 LKALKLNSNE3460 ARLKFPRLLQ3470 IIERYPEETL3480 SLMTKEISSV 3490 PCWQFISWIS3500 HMVALLDKDQ3510 AVAVQHSVEE3520 ITDNYPQAIV3530 YPFIISSESY 3540 SFKDTSTGHK3550 NKEFVARIKS3560 KLDQGGVIQD3570 FINALDQLSN3580 PELLFKDWSN 3590 DVRAELAKTP3600 VNKKNIEKMY3610 ERMYAALGDP3620 KAPGLGAFRR3630 KFIQTFGKEF 3640 DKHFGKGGSK3650 LLRMKLSDFN3660 DITNMLLLKM3670 NKDSKPPGNL3680 KECSPWMSDF 3690 KVEFLRNELE3700 IPGQYDGRGK3710 PLPEYHVRIA3720 GFDERVTVMA3730 SLRRPKRIII 3740 RGHDEREHPF3750 LVKGGEDLRQ3760 DQRVEQLFQV3770 MNGILAQDSA3780 CSQRALQLRT 3790 YSVVPMTSRL3800 GLIEWLENTV3810 TLKDLLLNTM3820 SQEEKAAYLS3830 DPRAPPCEYK 3840 DWLTKMSGKH3850 DVGAYMLMYK3860 GANRTETVTS3870 FRKRESKVPA3880 DLLKRAFVRM 3890 STSPEAFLAL3900 RSHFASSHAL3910 ICISHWILGI3920 GDRHLNNFMV3930 AMETGGVIGI 3940 DFGHAFGSAT3950 QFLPVPELMP3960 FRLTRQFINL3970 MLPMKETGLM3980 YSIMVHALRA 3990 FRSDPGLLTN4000 TMDVFVKEPS4010 FDWKNFEQKM4020 LKKGGSWIQE4030 INVAEKNWYP 4040 RQKICYAKRK4050 LAGANPAVIT4060 CDELLLGHEK4070 APAFRDYVAV4080 ARGSKDHNIR 4090 AQEPESGLSE4100 ETQVKCLMDQ4110 ATDPNILGRT4120 WEGWEPWM
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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 .TPO or .TPO2 or .TPO3 or :3TPO;style chemicals stick;color identity;select .A:1042 or .A:1057 or .A:1061 or .A:1086 or .A:1087 or .A:1090 or .A:1133 or .A:1136 or .A:1140 or .A:1152 or .A:2607 or .A:2608 or .A:2610 or .A:2611 or .A:2636 or .A:2637 or .A:2639 or .A:2640 or .A:2642 or .A:2643 or .A:2644 or .A:2646 or .A:2648 or .A:2649 or .A:2773 or .A:2776 or .A:3679 or .A:3681 or .A:3682; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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LYS1042
2.417
LYS1057
3.501
LYS1061
3.325
TYR1086
2.615
ARG1087
2.481
ARG1090
2.476
HIS1133
4.208
ARG1136
2.515
LYS1140
2.634
ARG1152
3.211
VAL2607
3.507
GLU2608
1.329
GLN2610
1.330
ALA2611
3.446
ARG2636
4.181
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Wortmannin | Ligand Info | |||||
| Structure Description | DNA-PKcs in complex with wortmannin | PDB:7OTV | ||||
| Method | Electron microscopy | Resolution | 3.24 Å | Mutation | No | [2] |
| PDB Sequence |
.
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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 .KWT or .KWT2 or .KWT3 or :3KWT;style chemicals stick;color identity;select .A:3729 or .A:3731 or .A:3733 or .A:3735 or .A:3751 or .A:3753 or .A:3756 or .A:3761 or .A:3791 or .A:3803 or .A:3804 or .A:3805 or .A:3806 or .A:3809 or .A:3811 or .A:3924 or .A:3926 or .A:3927 or .A:3929 or .A:3940 or .A:3941; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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MET3729
4.479
SER3731
3.796
ARG3733
4.266
PRO3735
3.374
LEU3751
2.730
LYS3753
1.165
GLU3756
3.448
ASP3761
4.901
TYR3791
3.685
ILE3803
2.400
GLU3804
3.609
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| Ligand Name: NU-7432 | Ligand Info | |||||
| Structure Description | Cryo-EM structure of DNA-PKcs in complex with NU7441 | PDB:7OTM | ||||
| Method | Electron microscopy | Resolution | 3.33 Å | Mutation | No | [2] |
| PDB Sequence |
.
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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 .2R4 or .2R42 or .2R43 or :32R4;style chemicals stick;color identity;select .A:3727 or .A:3728 or .A:3729 or .A:3735 or .A:3737 or .A:3751 or .A:3753 or .A:3791 or .A:3803 or .A:3804 or .A:3805 or .A:3806 or .A:3811 or .A:3929 or .A:3940 or .A:3941; color #f3c393; 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 | DNA-PKcs in complex with ATPgammaS-Mg | PDB:7OTP | ||||
| Method | Electron microscopy | Resolution | 3.40 Å | Mutation | No | [2] |
| PDB Sequence |
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Click to Show 3D Structure of This Binding Site
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MET3729
4.356
SER3731
2.568
LEU3732
3.755
ARG3733
3.268
PRO3735
4.192
LEU3751
3.508
LYS3753
2.812
GLU3756
3.515
TYR3791
3.565
ILE3803
3.898
GLU3804
3.089
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Autophosphorylation transforms DNA-PK from protecting to processing DNA ends. Mol Cell. 2022 Jan 6;82(1):177-189.e4. | ||||
| REF 2 | Structural insights into inhibitor regulation of the DNA repair protein DNA-PKcs. Nature. 2022 Jan;601(7894):643-648. | ||||
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