Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T55654 | Target Info | |||
| Target Name | cAMP-dependent chloride channel (CFTR) | ||||
| Synonyms | cAMPdependent chloride channel; Cystic fibrosis transmembrane conductance regulator; Channel conductancecontrolling ATPase; ATPbinding cassette subfamily C member 7; ATP-binding cassette sub-family C member 7; ABCC7 | ||||
| Target Type | Successful Target | ||||
| Gene Name | CFTR | ||||
| Biochemical Class | ABC transporter | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Ivacaftor | Ligand Info | |||||
| Structure Description | The complex of phosphorylated human delta F508 cystic fibrosis transmembrane conductance regulator (CFTR) with Trikafta [elexacaftor (VX-445), tezacaftor (VX-661), ivacaftor (VX-770)] and ATP/Mg | PDB:8EIQ | ||||
| Method | Electron microscopy | Resolution | 3.00 Å | Mutation | Yes | [1] |
| PDB Sequence |
MQRSPLEKAS
10 VVSKLFFSWT20 RPILRKGYRQ30 RLELSDIYQI40 PSVDSADNLS50 EKLEREWDRE 60 LASKKNPKLI70 NALRRCFFWR80 FMFYGIFLYL90 GEVTKAVQPL100 LLGRIIASYD 110 PDNKEERSIA120 IYLGIGLCLL130 FIVRTLLLHP140 AIFGLHHIGM150 QMRIAMFSLI 160 YKKTLKLSSR170 VLDKISIGQL180 VSLLSNNLNK190 FDEGLALAHF200 VWIAPLQVAL 210 LMGLIWELLQ220 ASAFCGLGFL230 IVLALFQAGL240 GRMMMKYRDQ250 RAGKISERLV 260 ITSEMIENIQ270 SVKAYCWEEA280 MEKMIENLRQ290 TELKLTRKAA300 YVRYFNSSAF 310 FFSGFFVVFL320 SVLPYALIKG330 IILRKIFTTI340 SFCIVLRMAV350 TRQFPWAVQT 360 WYDSLGAINK370 IQDFLQKQEY380 KTLEYNLTTT390 EVVMENVTAF400 WEGTPVLKDI 444 NFKIERGQLL454 AVAGSTGAGK464 TSLLMVIMGE474 LEPSEGKIKH484 SGRISFCSQF 494 SWIMPGTIKE504 NIIGVSYDEY515 RYRSVIKACQ525 LEEDISKFAE535 KDNIVLGEGG 545 ITLSGGQRAR555 ISLARAVYKD565 ADLYLLDSPF575 GYLDVLTEKE585 IFESCVCKLM 595 ANKTRILVTS605 KMEHLKKADK615 ILILHEGSSY625 FYGTFSELQN635 LWNTYLRYIT 854 VHKSLIFVLI864 WCLVIFLAEV874 AASLVVLWLL884 GSYAVIITST910 SSYYVFYIYV 920 GVADTLLAMG930 FFRGLPLVHT940 LITVSKILHH950 KMLHSVLQAP960 MSTLNTLKAG 970 GILNRFSKDI980 AILDDLLPLT990 IFDFIQLLLI1000 VIGAIAVVAV1010 LQPYIFVATV 1020 PVIVAFIMLR1030 AYFLQTSQQL1040 KQLESEGRSP1050 IFTHLVTSLK1060 GLWTLRAFGR 1070 QPYFETLFHK1080 ALNLHTANWF1090 LYLSTLRWFQ1100 MRIEMIFVIF1110 FIAVTFISIL 1120 TTGEGEGRVG1130 IILTLAMNIM1140 STLQWAVNSS1150 IDVDSLMRSV1160 SRVFKFIDMP 1170 TEGIWPSGGQ1209 MTVKDLTAKY1219 TEGGNAILEN1229 ISFSISPGQR1239 VGLLGRTGSG 1249 KSTLLSAFLR1259 LLNTEGEIQI1269 DGVSWDSITL1279 QQWRKAFGVI1289 PQKVFIFSGT 1299 FRKNLDPYEQ1309 WSDQEIWKVA1319 DEVGLRSVIE1329 QFPGKLDFVL1339 VDGGCVLSHG 1349 HKQLMCLARS1359 VLSKAKILLL1369 DQPSAHLDPV1379 TYQIIRRTLK1389 QAFADCTVIL 1399 CEHRIEAMLE1409 CQQFLVIEEN1419 KVRQYDSIQK1429 LLNERSLFRQ1439 AISPSDRVKL 1449 FP
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Adenosine triphosphate | Ligand Info | |||||
| Structure Description | Minimal human CFTR first nucleotide binding domain as a head-to-tail dimer | PDB:2PZE | ||||
| Method | X-ray diffraction | Resolution | 1.70 Å | Mutation | Yes | [2] |
| PDB Sequence |
SLTTTEVVME
395 NVTAFWEEGG437 TPVLKDINFK447 IERGQLLAVA457 GSTGAGKTSL467 LMMIMGELEP 477 SEGKIKHSGR487 ISFCSQFSWI497 MPGTIKENII507 FGVSYDEYRY517 RSVIKACQLE 527 EDISKFAEKD537 NIVLGEGGIT547 LSGGQRARIS557 LARAVYKDAD567 LYLLDSPFGY 577 LDVLTEKEIF587 ESCVCKLMAN597 KTRILVTSKM607 EHLKKADKIL617 ILHEGSSYFY 627 GTFSELQNLD639 FSSKLM
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: L-tyrosine | Ligand Info | |||||
| Structure Description | Crystal structure of human 14-3-3 protein beta in complex with CFTR peptide pS753pS768 and PPI stabilizer CY007424 | PDB:7QI1 | ||||
| Method | X-ray diffraction | Resolution | 1.76 Å | Mutation | No | [3] |
| PDB Sequence |
ILPRIVISTG
758 RRRQVLNLMT774
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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 .TYR or .TYR2 or .TYR3 or :3TYR;style chemicals stick;color identity;select .F:749 or .F:750 or .F:751 or .F:752; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: VX-661 | Ligand Info | |||||
| Structure Description | The complex of phosphorylated human delta F508 cystic fibrosis transmembrane conductance regulator (CFTR) with Trikafta [elexacaftor (VX-445), tezacaftor (VX-661), ivacaftor (VX-770)] and ATP/Mg | PDB:8EIQ | ||||
| Method | Electron microscopy | Resolution | 3.00 Å | Mutation | Yes | [1] |
| PDB Sequence |
MQRSPLEKAS
10 VVSKLFFSWT20 RPILRKGYRQ30 RLELSDIYQI40 PSVDSADNLS50 EKLEREWDRE 60 LASKKNPKLI70 NALRRCFFWR80 FMFYGIFLYL90 GEVTKAVQPL100 LLGRIIASYD 110 PDNKEERSIA120 IYLGIGLCLL130 FIVRTLLLHP140 AIFGLHHIGM150 QMRIAMFSLI 160 YKKTLKLSSR170 VLDKISIGQL180 VSLLSNNLNK190 FDEGLALAHF200 VWIAPLQVAL 210 LMGLIWELLQ220 ASAFCGLGFL230 IVLALFQAGL240 GRMMMKYRDQ250 RAGKISERLV 260 ITSEMIENIQ270 SVKAYCWEEA280 MEKMIENLRQ290 TELKLTRKAA300 YVRYFNSSAF 310 FFSGFFVVFL320 SVLPYALIKG330 IILRKIFTTI340 SFCIVLRMAV350 TRQFPWAVQT 360 WYDSLGAINK370 IQDFLQKQEY380 KTLEYNLTTT390 EVVMENVTAF400 WEGTPVLKDI 444 NFKIERGQLL454 AVAGSTGAGK464 TSLLMVIMGE474 LEPSEGKIKH484 SGRISFCSQF 494 SWIMPGTIKE504 NIIGVSYDEY515 RYRSVIKACQ525 LEEDISKFAE535 KDNIVLGEGG 545 ITLSGGQRAR555 ISLARAVYKD565 ADLYLLDSPF575 GYLDVLTEKE585 IFESCVCKLM 595 ANKTRILVTS605 KMEHLKKADK615 ILILHEGSSY625 FYGTFSELQN635 LWNTYLRYIT 854 VHKSLIFVLI864 WCLVIFLAEV874 AASLVVLWLL884 GSYAVIITST910 SSYYVFYIYV 920 GVADTLLAMG930 FFRGLPLVHT940 LITVSKILHH950 KMLHSVLQAP960 MSTLNTLKAG 970 GILNRFSKDI980 AILDDLLPLT990 IFDFIQLLLI1000 VIGAIAVVAV1010 LQPYIFVATV 1020 PVIVAFIMLR1030 AYFLQTSQQL1040 KQLESEGRSP1050 IFTHLVTSLK1060 GLWTLRAFGR 1070 QPYFETLFHK1080 ALNLHTANWF1090 LYLSTLRWFQ1100 MRIEMIFVIF1110 FIAVTFISIL 1120 TTGEGEGRVG1130 IILTLAMNIM1140 STLQWAVNSS1150 IDVDSLMRSV1160 SRVFKFIDMP 1170 TEGIWPSGGQ1209 MTVKDLTAKY1219 TEGGNAILEN1229 ISFSISPGQR1239 VGLLGRTGSG 1249 KSTLLSAFLR1259 LLNTEGEIQI1269 DGVSWDSITL1279 QQWRKAFGVI1289 PQKVFIFSGT 1299 FRKNLDPYEQ1309 WSDQEIWKVA1319 DEVGLRSVIE1329 QFPGKLDFVL1339 VDGGCVLSHG 1349 HKQLMCLARS1359 VLSKAKILLL1369 DQPSAHLDPV1379 TYQIIRRTLK1389 QAFADCTVIL 1399 CEHRIEAMLE1409 CQQFLVIEEN1419 KVRQYDSIQK1429 LLNERSLFRQ1439 AISPSDRVKL 1449 FP
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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 .CV6 or .CV62 or .CV63 or :3CV6;style chemicals stick;color identity;select .A:70 or .A:71 or .A:73 or .A:74 or .A:77 or .A:78 or .A:81 or .A:152 or .A:194 or .A:195 or .A:198 or .A:360 or .A:361 or .A:364 or .A:365 or .A:368; 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: Lumacaftor | Ligand Info | |||||
| Structure Description | The complex of phosphorylated human cystic fibrosis transmembrane conductance regulator (CFTR) with ATP/Mg and Lumacaftor (VX-809) | PDB:7SVD | ||||
| Method | Electron microscopy | Resolution | 2.70 Å | Mutation | Yes | [4] |
| PDB Sequence |
MQRSPLEKAS
10 VVSKLFFSWT20 RPILRKGYRQ30 RLELSDIYQI40 PSVDSADNLS50 EKLEREWDRE 60 LASKKNPKLI70 NALRRCFFWR80 FMFYGIFLYL90 GEVTKAVQPL100 LLGRIIASYD 110 PDNKEERSIA120 IYLGIGLCLL130 FIVRTLLLHP140 AIFGLHHIGM150 QMRIAMFSLI 160 YKKTLKLSSR170 VLDKISIGQL180 VSLLSNNLNK190 FDEGLALAHF200 VWIAPLQVAL 210 LMGLIWELLQ220 ASAFCGLGFL230 IVLALFQAGL240 GRMMMKYRDQ250 RAGKISERLV 260 ITSEMIENIQ270 SVKAYCWEEA280 MEKMIENLRQ290 TELKLTRKAA300 YVRYFNSSAF 310 FFSGFFVVFL320 SVLPYALIKG330 IILRKIFTTI340 SFCIVLRMAV350 TRQFPWAVQT 360 WYDSLGAINK370 IQDFLQKQEY380 KTLEYNLTTT390 EVVMENVTAF400 WEEGFGELFG 437 TPVLKDINFK447 IERGQLLAVA457 GSTGAGKTSL467 LMVIMGELEP477 SEGKIKHSGR 487 ISFCSQFSWI497 MPGTIKENII507 FGVSYDEYRY517 RSVIKACQLE527 EDISKFAEKD 537 NIVLGEGGIT547 LSGGQRARIS557 LARAVYKDAD567 LYLLDSPFGY577 LDVLTEKEIF 587 ESCVCKLMAN597 KTRILVTSKM607 EHLKKADKIL617 ILHEGSSYFY627 GTFSELQNLW 846 NTYLRYITVH856 KSLIFVLIWC866 LVIFLAEVAA876 SLVVLWLLGN886 TPSYAVIITS 909 TSSYYVFYIY919 VGVADTLLAM929 GFFRGLPLVH939 TLITVSKILH949 HKMLHSVLQA 959 PMSTLNTLKA969 GGILNRFSKD979 IAILDDLLPL989 TIFDFIQLLL999 IVIGAIAVVA 1009 VLQPYIFVAT1019 VPVIVAFIML1029 RAYFLQTSQQ1039 LKQLESEGRS1049 PIFTHLVTSL 1059 KGLWTLRAFG1069 RQPYFETLFH1079 KALNLHTANW1089 FLYLSTLRWF1099 QMRIEMIFVI 1109 FFIAVTFISI1119 LTTGEGEGRV1129 GIILTLAMNI1139 MSTLQWAVNS1149 SIDVDSLMRS 1159 VSRVFKFIDM1169 PTEGIWPSGG1208 QMTVKDLTAK1218 YTEGGNAILE1228 NISFSISPGQ 1238 RVGLLGRTGS1248 GKSTLLSAFL1258 RLLNTEGEIQ1268 IDGVSWDSIT1278 LQQWRKAFGV 1288 IPQKVFIFSG1298 TFRKNLDPYE1308 QWSDQEIWKV1318 ADEVGLRSVI1328 EQFPGKLDFV 1338 LVDGGCVLSH1348 GHKQLMCLAR1358 SVLSKAKILL1368 LDQPSAHLDP1378 VTYQIIRRTL 1388 KQAFADCTVI1398 LCEHRIEAML1408 ECQQFLVIEE1418 NKVRQYDSIQ1428 KLLNERSLFR 1438 QAISPSDRVK1448 LFP
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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 .VX8 or .VX82 or .VX83 or :3VX8;style chemicals stick;color identity;select .A:68 or .A:70 or .A:71 or .A:73 or .A:74 or .A:77 or .A:78 or .A:81 or .A:152 or .A:194 or .A:195 or .A:198 or .A:360 or .A:361 or .A:364 or .A:365 or .A:368; 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 | ||||||
| Ligand Name: GLPG-1837 | Ligand Info | |||||
| Structure Description | Complex of human cystic fibrosis transmembrane conductance regulator (CFTR) and GLPG1837 | PDB:6O1V | ||||
| Method | Electron microscopy | Resolution | 3.20 Å | Mutation | Yes | [5] |
| PDB Sequence |
MQRSPLEKAS
10 VVSKLFFSWT20 RPILRKGYRQ30 RLELSDIYQI40 PSVDSADNLS50 EKLEREWDRE 60 LASKKNPKLI70 NALRRCFFWR80 FMFYGIFLYL90 GEVTKAVQPL100 LLGRIIASYD 110 PDNKEERSIA120 IYLGIGLCLL130 FIVRTLLLHP140 AIFGLHHIGM150 QMRIAMFSLI 160 YKKTLKLSSR170 VLDKISIGQL180 VSLLSNNLNK190 FDEGLALAHF200 VWIAPLQVAL 210 LMGLIWELLQ220 ASAFCGLGFL230 IVLALFQAGL240 GRMMMKYRDQ250 RAGKISERLV 260 ITSEMIENIQ270 SVKAYCWEEA280 MEKMIENLRQ290 TELKLTRKAA300 YVRYFNSSAF 310 FFSGFFVVFL320 SVLPYALIKG330 IILRKIFTTI340 SFCIVLRMAV350 TRQFPWAVQT 360 WYDSLGAINK370 IQDFLQKQEY380 KTLEYNLTTT390 EVVMENVTAF400 WEEGFGELFG 437 TPVLKDINFK447 IERGQLLAVA457 GSTGAGKTSL467 LMVIMGELEP477 SEGKIKHSGR 487 ISFCSQFSWI497 MPGTIKENII507 FGVSYDEYRY517 RSVIKACQLE527 EDISKFAEKD 537 NIVLGEGGIT547 LSGGQRARIS557 LARAVYKDAD567 LYLLDSPFGY577 LDVLTEKEIF 587 ESCVCKLMAN597 KTRILVTSKM607 EHLKKADKIL617 ILHEGSSYFY627 GTFSELQNLQ 637 TWNTYLRYIT854 VHKSLIFVLI864 WCLVIFLAEV874 AASLVVLWLL884 GNTPLNNSYA 904 VIITSTSSYY914 VFYIYVGVAD924 TLLAMGFFRG934 LPLVHTLITV944 SKILHHKMLH 954 SVLQAPMSTL964 NTLKAGGILN974 RFSKDIAILD984 DLLPLTIFDF994 IQLLLIVIGA 1004 IAVVAVLQPY1014 IFVATVPVIV1024 AFIMLRAYFL1034 QTSQQLKQLE1044 SEGRSPIFTH 1054 LVTSLKGLWT1064 LRAFGRQPYF1074 ETLFHKALNL1084 HTANWFLYLS1094 TLRWFQMRIE 1104 MIFVIFFIAV1114 TFISILTTGE1124 GEGRVGIILT1134 LAMNIMSTLQ1144 WAVNSSIDVD 1154 SLMRSVSRVF1164 KFIDMPTEGD1202 IWPSGGQMTV1212 KDLTAKYTEG1222 GNAILENISF 1232 SISPGQRVGL1242 LGRTGSGKST1252 LLSAFLRLLN1262 TEGEIQIDGV1272 SWDSITLQQW 1282 RKAFGVIPQK1292 VFIFSGTFRK1302 NLDPYEQWSD1312 QEIWKVADEV1322 GLRSVIEQFP 1332 GKLDFVLVDG1342 GCVLSHGHKQ1352 LMCLARSVLS1362 KAKILLLDQP1372 SAHLDPVTYQ 1382 IIRRTLKQAF1392 ADCTVILCEH1402 RIEAMLECQQ1412 FLVIEENKVR1422 QYDSIQKLLN 1432 ERSLFRQAIS1442 PSDRVKLFP
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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 .LJP or .LJP2 or .LJP3 or :3LJP;style chemicals stick;color identity;select .A:229 or .A:233 or .A:236 or .A:304 or .A:305 or .A:308 or .A:309 or .A:312 or .A:313 or .A:316 or .A:929 or .A:930 or .A:931; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Cholesterol | Ligand Info | |||||
| Structure Description | The complex of phosphorylated human cystic fibrosis transmembrane conductance regulator (CFTR) with ATP/Mg and Lumacaftor (VX-809) | PDB:7SVD | ||||
| Method | Electron microscopy | Resolution | 2.70 Å | Mutation | Yes | [4] |
| PDB Sequence |
MQRSPLEKAS
10 VVSKLFFSWT20 RPILRKGYRQ30 RLELSDIYQI40 PSVDSADNLS50 EKLEREWDRE 60 LASKKNPKLI70 NALRRCFFWR80 FMFYGIFLYL90 GEVTKAVQPL100 LLGRIIASYD 110 PDNKEERSIA120 IYLGIGLCLL130 FIVRTLLLHP140 AIFGLHHIGM150 QMRIAMFSLI 160 YKKTLKLSSR170 VLDKISIGQL180 VSLLSNNLNK190 FDEGLALAHF200 VWIAPLQVAL 210 LMGLIWELLQ220 ASAFCGLGFL230 IVLALFQAGL240 GRMMMKYRDQ250 RAGKISERLV 260 ITSEMIENIQ270 SVKAYCWEEA280 MEKMIENLRQ290 TELKLTRKAA300 YVRYFNSSAF 310 FFSGFFVVFL320 SVLPYALIKG330 IILRKIFTTI340 SFCIVLRMAV350 TRQFPWAVQT 360 WYDSLGAINK370 IQDFLQKQEY380 KTLEYNLTTT390 EVVMENVTAF400 WEEGFGELFG 437 TPVLKDINFK447 IERGQLLAVA457 GSTGAGKTSL467 LMVIMGELEP477 SEGKIKHSGR 487 ISFCSQFSWI497 MPGTIKENII507 FGVSYDEYRY517 RSVIKACQLE527 EDISKFAEKD 537 NIVLGEGGIT547 LSGGQRARIS557 LARAVYKDAD567 LYLLDSPFGY577 LDVLTEKEIF 587 ESCVCKLMAN597 KTRILVTSKM607 EHLKKADKIL617 ILHEGSSYFY627 GTFSELQNLW 846 NTYLRYITVH856 KSLIFVLIWC866 LVIFLAEVAA876 SLVVLWLLGN886 TPSYAVIITS 909 TSSYYVFYIY919 VGVADTLLAM929 GFFRGLPLVH939 TLITVSKILH949 HKMLHSVLQA 959 PMSTLNTLKA969 GGILNRFSKD979 IAILDDLLPL989 TIFDFIQLLL999 IVIGAIAVVA 1009 VLQPYIFVAT1019 VPVIVAFIML1029 RAYFLQTSQQ1039 LKQLESEGRS1049 PIFTHLVTSL 1059 KGLWTLRAFG1069 RQPYFETLFH1079 KALNLHTANW1089 FLYLSTLRWF1099 QMRIEMIFVI 1109 FFIAVTFISI1119 LTTGEGEGRV1129 GIILTLAMNI1139 MSTLQWAVNS1149 SIDVDSLMRS 1159 VSRVFKFIDM1169 PTEGIWPSGG1208 QMTVKDLTAK1218 YTEGGNAILE1228 NISFSISPGQ 1238 RVGLLGRTGS1248 GKSTLLSAFL1258 RLLNTEGEIQ1268 IDGVSWDSIT1278 LQQWRKAFGV 1288 IPQKVFIFSG1298 TFRKNLDPYE1308 QWSDQEIWKV1318 ADEVGLRSVI1328 EQFPGKLDFV 1338 LVDGGCVLSH1348 GHKQLMCLAR1358 SVLSKAKILL1368 LDQPSAHLDP1378 VTYQIIRRTL 1388 KQAFADCTVI1398 LCEHRIEAML1408 ECQQFLVIEE1418 NKVRQYDSIQ1428 KLLNERSLFR 1438 QAISPSDRVK1448 LFP
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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 .CLR or .CLR2 or .CLR3 or :3CLR;style chemicals stick;color identity;select .A:89 or .A:201 or .A:205 or .A:206 or .A:209 or .A:210 or .A:213 or .A:214 or .A:216 or .A:217 or .A:234 or .A:235 or .A:238 or .A:242 or .A:354 or .A:358 or .A:361 or .A:362 or .A:365 or .A:366 or .A:369; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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TYR89
3.737
VAL201
3.651
PRO205
4.533
LEU206
3.551
ALA209
4.607
LEU210
3.845
GLY213
3.981
LEU214
4.386
TRP216
4.503
GLU217
4.187
ALA234
4.194
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Tetradecane | Ligand Info | |||||
| Structure Description | The complex of phosphorylated human cystic fibrosis transmembrane conductance regulator (CFTR) with ATP/Mg and Tezacaftor (VX-661) | PDB:7SV7 | ||||
| Method | Electron microscopy | Resolution | 3.80 Å | Mutation | Yes | [4] |
| PDB Sequence |
MQRSPLEKAS
10 VVSKLFFSWT20 RPILRKGYRQ30 RLELSDIYQI40 PSVDSADNLS50 EKLEREWDRE 60 LASKKNPKLI70 NALRRCFFWR80 FMFYGIFLYL90 GEVTKAVQPL100 LLGRIIASYD 110 PDNKEERSIA120 IYLGIGLCLL130 FIVRTLLLHP140 AIFGLHHIGM150 QMRIAMFSLI 160 YKKTLKLSSR170 VLDKISIGQL180 VSLLSNNLNK190 FDEGLALAHF200 VWIAPLQVAL 210 LMGLIWELLQ220 ASAFCGLGFL230 IVLALFQAGL240 GRMMMKYRDQ250 RAGKISERLV 260 ITSEMIENIQ270 SVKAYCWEEA280 MEKMIENLRQ290 TELKLTRKAA300 YVRYFNSSAF 310 FFSGFFVVFL320 SVLPYALIKG330 IILRKIFTTI340 SFCIVLRMAV350 TRQFPWAVQT 360 WYDSLGAINK370 IQDFLQKQEY380 KTLEYNLTTT390 EVVMENVTAF400 WEEGFGELFG 437 TPVLKDINFK447 IERGQLLAVA457 GSTGAGKTSL467 LMVIMGELEP477 SEGKIKHSGR 487 ISFCSQFSWI497 MPGTIKENII507 FGVSYDEYRY517 RSVIKACQLE527 EDISKFAEKD 537 NIVLGEGGIT547 LSGGQRARIS557 LARAVYKDAD567 LYLLDSPFGY577 LDVLTEKEIF 587 ESCVCKLMAN597 KTRILVTSKM607 EHLKKADKIL617 ILHEGSSYFY627 GTFSELQNLW 846 NTYLRYITVH856 KSLIFVLIWC866 LVIFLAEVAA876 SLVVLWLLGN886 TPSYAVIITS 909 TSSYYVFYIY919 VGVADTLLAM929 GFFRGLPLVH939 TLITVSKILH949 HKMLHSVLQA 959 PMSTLNTLKA969 GGILNRFSKD979 IAILDDLLPL989 TIFDFIQLLL999 IVIGAIAVVA 1009 VLQPYIFVAT1019 VPVIVAFIML1029 RAYFLQTSQQ1039 LKQLESEGRS1049 PIFTHLVTSL 1059 KGLWTLRAFG1069 RQPYFETLFH1079 KALNLHTANW1089 FLYLSTLRWF1099 QMRIEMIFVI 1109 FFIAVTFISI1119 LTTGEGEGRV1129 GIILTLAMNI1139 MSTLQWAVNS1149 SIDVDSLMRS 1159 VSRVFKFIDM1169 PTEGIWPSGG1208 QMTVKDLTAK1218 YTEGGNAILE1228 NISFSISPGQ 1238 RVGLLGRTGS1248 GKSTLLSAFL1258 RLLNTEGEIQ1268 IDGVSWDSIT1278 LQQWRKAFGV 1288 IPQKVFIFSG1298 TFRKNLDPYE1308 QWSDQEIWKV1318 ADEVGLRSVI1328 EQFPGKLDFV 1338 LVDGGCVLSH1348 GHKQLMCLAR1358 SVLSKAKILL1368 LDQPSAHLDP1378 VTYQIIRRTL 1388 KQAFADCTVI1398 LCEHRIEAML1408 ECQQFLVIEE1418 NKVRQYDSIQ1428 KLLNERSLFR 1438 QAISPSDRVK1448 LFP
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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 .C14 or .C142 or .C143 or :3C14;style chemicals stick;color identity;select .A:876 or .A:879 or .A:880 or .A:883; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2'-deoxythymidine triphosphate | Ligand Info | |||||
| Structure Description | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dTTP | PDB:5TF8 | ||||
| Method | X-ray diffraction | Resolution | 1.86 Å | Mutation | Yes | [6] |
| PDB Sequence |
TTEVVMENVT
398 AFWEEGGTPV440 LKDINFKIER450 GQLLAVAGST460 GAGKTSLLMM470 IMGELEPSEG 480 KIKHSGRISF490 CSQFSWIMPG500 TIKENIIFGV510 SYDEYRYRSV520 IKACQLEEDI 530 SKFAEKDNIV540 LGEGGITLSG550 GQRARISLAR560 AVYKDADLYL570 LDSPFGYLDV 580 LTEKEIFESC590 VCKLMANKTR600 ILVTSKMEHL610 KKADKILILH620 EGSSYFYGTF 630 SELQNLQP
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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 .TTP or .TTP2 or .TTP3 or :3TTP;style chemicals stick;color identity;select .A:401 or .A:440 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:464 or .A:465 or .A:466 or .A:469 or .A:493; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 7-Methyl-Guanosine-5'-Triphosphate | Ligand Info | |||||
| Structure Description | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with 7-methyl-GTP | PDB:5TFB | ||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | Yes | [7] |
| PDB Sequence |
TEVVMENVTA
399 FWEEGGTPVL441 KDINFKIERG451 QLLAVAGSTG461 AGKTSLLMMI471 MGELEPSEGK 481 IKHSGRISFC491 SQFSWIMPGT501 IKENIIFGVS511 YDEYRYRSVI521 KACQLEEDIS 531 KFAEKDNIVL541 GEGGITLSGG551 QRARISLARA561 VYKDADLYLL571 DSPFGYLDVL 581 TEKEIFESCV591 CKLMANKTRI601 LVTSKMEHLK611 KADKILILHE621 GSSYFYGTFS 631 ELQNL
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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 .MGP or .MGP2 or .MGP3 or :3MGP;style chemicals stick;color identity;select .A:401 or .A:440 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:464 or .A:465 or .A:466 or .A:469 or .A:493; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Deoxyuridine-5'-Triphosphate | Ligand Info | |||||
| Structure Description | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dUTP | PDB:5TFA | ||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | Yes | [8] |
| PDB Sequence |
TEVVMENVTA
399 FWEEGGTPVL441 KDINFKIERG451 QLLAVAGSTG461 AGKTSLLMMI471 MGELEPSEGK 481 IKHSGRISFC491 SQFSWIMPGT501 IKENIIFGVS511 YDEYRYRSVI521 KACQLEEDIS 531 KFAEKDNIVL541 GEGGITLSGG551 QRARISLARA561 VYKDADLYLL571 DSPFGYLDVL 581 TEKEIFESCV591 CKLMANKTRI601 LVTSKMEHLK611 KADKILILHE621 GSSYFYGTFS 631 ELQNLQ
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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 .DUT or .DUT2 or .DUT3 or :3DUT;style chemicals stick;color identity;select .A:401 or .A:402 or .A:440 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:464 or .A:465 or .A:466 or .A:493; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: CTP | Ligand Info | |||||
| Structure Description | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with CTP | PDB:5TFD | ||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | Yes | [9] |
| PDB Sequence |
TEVVMENVTA
399 FWEEGGTPVL441 KDINFKIERG451 QLLAVAGSTG461 AGKTSLLMMI471 MGELEPSEGK 481 IKHSGRISFC491 SQFSWIMPGT501 IKENIIFGVS511 YDEYRYRSVI521 KACQLEEDIS 531 KFAEKDNIVL541 GEGGITLSGG551 QRARISLARA561 VYKDADLYLL571 DSPFGYLDVL 581 TEKEIFESCV591 CKLMANKTRI601 LVTSKMEHLK611 KADKILILHE621 GSSYFYGTFS 631 ELQNL
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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 .CTP or .CTP2 or .CTP3 or :3CTP;style chemicals stick;color identity;select .A:401 or .A:440 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:464 or .A:465 or .A:466 or .A:493; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: INS 316 | Ligand Info | |||||
| Structure Description | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with UTP | PDB:5TFF | ||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | Yes | [10] |
| PDB Sequence |
TEVVMENVTA
399 FWEEGGTPVL441 KDINFKIERG451 QLLAVAGSTG461 AGKTSLLMMI471 MGELEPSEGK 481 IKHSGRISFC491 SQFSWIMPGT501 IKENIIFGVS511 YDEYRYRSVI521 KACQLEEDIS 531 KFAEKDNIVL541 GEGGITLSGG551 QRARISLARA561 VYKDADLYLL571 DSPFGYLDVL 581 TEKEIFESCV591 CKLMANKTRI601 LVTSKMEHLK611 KADKILILHE621 GSSYFYGTFS 631 ELQNL
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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 .UTP or .UTP2 or .UTP3 or :3UTP;style chemicals stick;color identity;select .A:401 or .A:440 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:464 or .A:465 or .A:466 or .A:493; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: dATP | Ligand Info | |||||
| Structure Description | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dATP | PDB:5TGK | ||||
| Method | X-ray diffraction | Resolution | 1.91 Å | Mutation | Yes | [11] |
| PDB Sequence |
TEVVMENVTA
399 FWEEGGTPVL441 KDINFKIERG451 QLLAVAGSTG461 AGKTSLLMMI471 MGELEPSEGK 481 IKHSGRISFC491 SQFSWIMPGT501 IKENIIFGVS511 YDEYRYRSVI521 KACQLEEDIS 531 KFAEKDNIVL541 GEGGITLSGG551 QRARISLARA561 VYKDADLYLL571 DSPFGYLDVL 581 TEKEIFESCV591 CKLMANKTRI601 LVTSKMEHLK611 KADKILILHE621 GSSYFYGTFS 631 ELQNLQ
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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 .DTP or .DTP2 or .DTP3 or :3DTP;style chemicals stick;color identity;select .A:401 or .A:440 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:464 or .A:465 or .A:466 or .A:493; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Guanosine-5'-Triphosphate | Ligand Info | |||||
| Structure Description | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with GTP | PDB:5TFC | ||||
| Method | X-ray diffraction | Resolution | 1.92 Å | Mutation | Yes | [12] |
| PDB Sequence |
TTEVVMENVT
398 AFWEEGGTPV440 LKDINFKIER450 GQLLAVAGST460 GAGKTSLLMM470 IMGELEPSEG 480 KIKHSGRISF490 CSQFSWIMPG500 TIKENIIFGV510 SYDEYRYRSV520 IKACQLEEDI 530 SKFAEKDNIV540 LGEGGITLSG550 GQRARISLAR560 AVYKDADLYL570 LDSPFGYLDV 580 LTEKEIFESC590 VCKLMANKTR600 ILVTSKMEHL610 KKADKILILH620 EGSSYFYGTF 630 SELQNLQP
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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 .GTP or .GTP2 or .GTP3 or :3GTP;style chemicals stick;color identity;select .A:401 or .A:402 or .A:440 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:464 or .A:465 or .A:466 or .A:493; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: L-serine-O-phosphate | Ligand Info | |||||
| Structure Description | Crystal structure of human 14-3-3 protein beta in complex with CFTR peptide pS753pS768 and PPI stabilizer CY007424 | PDB:7QI1 | ||||
| Method | X-ray diffraction | Resolution | 1.76 Å | Mutation | No | [3] |
| PDB Sequence |
ILPRIVISTG
758 RRRQVLNLMT774
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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 .SEP or .SEP2 or .SEP3 or :3SEP;style chemicals stick;color identity;select .F:751 or .F:752 or .F:754 or .F:755 or .F:765 or .F:766 or .F:767 or .F:769 or .F:770; 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: Decane | Ligand Info | |||||
| Structure Description | The complex of phosphorylated human cystic fibrosis transmembrane conductance regulator (CFTR) with ATP/Mg and Lumacaftor (VX-809) | PDB:7SVD | ||||
| Method | Electron microscopy | Resolution | 2.70 Å | Mutation | Yes | [4] |
| PDB Sequence |
MQRSPLEKAS
10 VVSKLFFSWT20 RPILRKGYRQ30 RLELSDIYQI40 PSVDSADNLS50 EKLEREWDRE 60 LASKKNPKLI70 NALRRCFFWR80 FMFYGIFLYL90 GEVTKAVQPL100 LLGRIIASYD 110 PDNKEERSIA120 IYLGIGLCLL130 FIVRTLLLHP140 AIFGLHHIGM150 QMRIAMFSLI 160 YKKTLKLSSR170 VLDKISIGQL180 VSLLSNNLNK190 FDEGLALAHF200 VWIAPLQVAL 210 LMGLIWELLQ220 ASAFCGLGFL230 IVLALFQAGL240 GRMMMKYRDQ250 RAGKISERLV 260 ITSEMIENIQ270 SVKAYCWEEA280 MEKMIENLRQ290 TELKLTRKAA300 YVRYFNSSAF 310 FFSGFFVVFL320 SVLPYALIKG330 IILRKIFTTI340 SFCIVLRMAV350 TRQFPWAVQT 360 WYDSLGAINK370 IQDFLQKQEY380 KTLEYNLTTT390 EVVMENVTAF400 WEEGFGELFG 437 TPVLKDINFK447 IERGQLLAVA457 GSTGAGKTSL467 LMVIMGELEP477 SEGKIKHSGR 487 ISFCSQFSWI497 MPGTIKENII507 FGVSYDEYRY517 RSVIKACQLE527 EDISKFAEKD 537 NIVLGEGGIT547 LSGGQRARIS557 LARAVYKDAD567 LYLLDSPFGY577 LDVLTEKEIF 587 ESCVCKLMAN597 KTRILVTSKM607 EHLKKADKIL617 ILHEGSSYFY627 GTFSELQNLW 846 NTYLRYITVH856 KSLIFVLIWC866 LVIFLAEVAA876 SLVVLWLLGN886 TPSYAVIITS 909 TSSYYVFYIY919 VGVADTLLAM929 GFFRGLPLVH939 TLITVSKILH949 HKMLHSVLQA 959 PMSTLNTLKA969 GGILNRFSKD979 IAILDDLLPL989 TIFDFIQLLL999 IVIGAIAVVA 1009 VLQPYIFVAT1019 VPVIVAFIML1029 RAYFLQTSQQ1039 LKQLESEGRS1049 PIFTHLVTSL 1059 KGLWTLRAFG1069 RQPYFETLFH1079 KALNLHTANW1089 FLYLSTLRWF1099 QMRIEMIFVI 1109 FFIAVTFISI1119 LTTGEGEGRV1129 GIILTLAMNI1139 MSTLQWAVNS1149 SIDVDSLMRS 1159 VSRVFKFIDM1169 PTEGIWPSGG1208 QMTVKDLTAK1218 YTEGGNAILE1228 NISFSISPGQ 1238 RVGLLGRTGS1248 GKSTLLSAFL1258 RLLNTEGEIQ1268 IDGVSWDSIT1278 LQQWRKAFGV 1288 IPQKVFIFSG1298 TFRKNLDPYE1308 QWSDQEIWKV1318 ADEVGLRSVI1328 EQFPGKLDFV 1338 LVDGGCVLSH1348 GHKQLMCLAR1358 SVLSKAKILL1368 LDQPSAHLDP1378 VTYQIIRRTL 1388 KQAFADCTVI1398 LCEHRIEAML1408 ECQQFLVIEE1418 NKVRQYDSIQ1428 KLLNERSLFR 1438 QAISPSDRVK1448 LFP
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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 .D10 or .D102 or .D103 or :3D10;style chemicals stick;color identity;select .A:850 or .A:853 or .A:860 or .A:863 or .A:1014 or .A:1017 or .A:1018 or .A:1128 or .A:1129 or .A:1132 or .A:1133; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Heptadecane | Ligand Info | |||||
| Structure Description | The complex of phosphorylated human cystic fibrosis transmembrane conductance regulator (CFTR) with ATP/Mg and Tezacaftor (VX-661) | PDB:7SV7 | ||||
| Method | Electron microscopy | Resolution | 3.80 Å | Mutation | Yes | [4] |
| PDB Sequence |
MQRSPLEKAS
10 VVSKLFFSWT20 RPILRKGYRQ30 RLELSDIYQI40 PSVDSADNLS50 EKLEREWDRE 60 LASKKNPKLI70 NALRRCFFWR80 FMFYGIFLYL90 GEVTKAVQPL100 LLGRIIASYD 110 PDNKEERSIA120 IYLGIGLCLL130 FIVRTLLLHP140 AIFGLHHIGM150 QMRIAMFSLI 160 YKKTLKLSSR170 VLDKISIGQL180 VSLLSNNLNK190 FDEGLALAHF200 VWIAPLQVAL 210 LMGLIWELLQ220 ASAFCGLGFL230 IVLALFQAGL240 GRMMMKYRDQ250 RAGKISERLV 260 ITSEMIENIQ270 SVKAYCWEEA280 MEKMIENLRQ290 TELKLTRKAA300 YVRYFNSSAF 310 FFSGFFVVFL320 SVLPYALIKG330 IILRKIFTTI340 SFCIVLRMAV350 TRQFPWAVQT 360 WYDSLGAINK370 IQDFLQKQEY380 KTLEYNLTTT390 EVVMENVTAF400 WEEGFGELFG 437 TPVLKDINFK447 IERGQLLAVA457 GSTGAGKTSL467 LMVIMGELEP477 SEGKIKHSGR 487 ISFCSQFSWI497 MPGTIKENII507 FGVSYDEYRY517 RSVIKACQLE527 EDISKFAEKD 537 NIVLGEGGIT547 LSGGQRARIS557 LARAVYKDAD567 LYLLDSPFGY577 LDVLTEKEIF 587 ESCVCKLMAN597 KTRILVTSKM607 EHLKKADKIL617 ILHEGSSYFY627 GTFSELQNLW 846 NTYLRYITVH856 KSLIFVLIWC866 LVIFLAEVAA876 SLVVLWLLGN886 TPSYAVIITS 909 TSSYYVFYIY919 VGVADTLLAM929 GFFRGLPLVH939 TLITVSKILH949 HKMLHSVLQA 959 PMSTLNTLKA969 GGILNRFSKD979 IAILDDLLPL989 TIFDFIQLLL999 IVIGAIAVVA 1009 VLQPYIFVAT1019 VPVIVAFIML1029 RAYFLQTSQQ1039 LKQLESEGRS1049 PIFTHLVTSL 1059 KGLWTLRAFG1069 RQPYFETLFH1079 KALNLHTANW1089 FLYLSTLRWF1099 QMRIEMIFVI 1109 FFIAVTFISI1119 LTTGEGEGRV1129 GIILTLAMNI1139 MSTLQWAVNS1149 SIDVDSLMRS 1159 VSRVFKFIDM1169 PTEGIWPSGG1208 QMTVKDLTAK1218 YTEGGNAILE1228 NISFSISPGQ 1238 RVGLLGRTGS1248 GKSTLLSAFL1258 RLLNTEGEIQ1268 IDGVSWDSIT1278 LQQWRKAFGV 1288 IPQKVFIFSG1298 TFRKNLDPYE1308 QWSDQEIWKV1318 ADEVGLRSVI1328 EQFPGKLDFV 1338 LVDGGCVLSH1348 GHKQLMCLAR1358 SVLSKAKILL1368 LDQPSAHLDP1378 VTYQIIRRTL 1388 KQAFADCTVI1398 LCEHRIEAML1408 ECQQFLVIEE1418 NKVRQYDSIQ1428 KLLNERSLFR 1438 QAISPSDRVK1448 LFP
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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 .PJ8 or .PJ82 or .PJ83 or :3PJ8;style chemicals stick;color identity;select .A:225 or .A:320 or .A:323 or .A:324 or .A:327; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Nonane | Ligand Info | |||||
| Structure Description | The complex of phosphorylated human cystic fibrosis transmembrane conductance regulator (CFTR) with ATP/Mg and Tezacaftor (VX-661) | PDB:7SV7 | ||||
| Method | Electron microscopy | Resolution | 3.80 Å | Mutation | Yes | [4] |
| PDB Sequence |
MQRSPLEKAS
10 VVSKLFFSWT20 RPILRKGYRQ30 RLELSDIYQI40 PSVDSADNLS50 EKLEREWDRE 60 LASKKNPKLI70 NALRRCFFWR80 FMFYGIFLYL90 GEVTKAVQPL100 LLGRIIASYD 110 PDNKEERSIA120 IYLGIGLCLL130 FIVRTLLLHP140 AIFGLHHIGM150 QMRIAMFSLI 160 YKKTLKLSSR170 VLDKISIGQL180 VSLLSNNLNK190 FDEGLALAHF200 VWIAPLQVAL 210 LMGLIWELLQ220 ASAFCGLGFL230 IVLALFQAGL240 GRMMMKYRDQ250 RAGKISERLV 260 ITSEMIENIQ270 SVKAYCWEEA280 MEKMIENLRQ290 TELKLTRKAA300 YVRYFNSSAF 310 FFSGFFVVFL320 SVLPYALIKG330 IILRKIFTTI340 SFCIVLRMAV350 TRQFPWAVQT 360 WYDSLGAINK370 IQDFLQKQEY380 KTLEYNLTTT390 EVVMENVTAF400 WEEGFGELFG 437 TPVLKDINFK447 IERGQLLAVA457 GSTGAGKTSL467 LMVIMGELEP477 SEGKIKHSGR 487 ISFCSQFSWI497 MPGTIKENII507 FGVSYDEYRY517 RSVIKACQLE527 EDISKFAEKD 537 NIVLGEGGIT547 LSGGQRARIS557 LARAVYKDAD567 LYLLDSPFGY577 LDVLTEKEIF 587 ESCVCKLMAN597 KTRILVTSKM607 EHLKKADKIL617 ILHEGSSYFY627 GTFSELQNLW 846 NTYLRYITVH856 KSLIFVLIWC866 LVIFLAEVAA876 SLVVLWLLGN886 TPSYAVIITS 909 TSSYYVFYIY919 VGVADTLLAM929 GFFRGLPLVH939 TLITVSKILH949 HKMLHSVLQA 959 PMSTLNTLKA969 GGILNRFSKD979 IAILDDLLPL989 TIFDFIQLLL999 IVIGAIAVVA 1009 VLQPYIFVAT1019 VPVIVAFIML1029 RAYFLQTSQQ1039 LKQLESEGRS1049 PIFTHLVTSL 1059 KGLWTLRAFG1069 RQPYFETLFH1079 KALNLHTANW1089 FLYLSTLRWF1099 QMRIEMIFVI 1109 FFIAVTFISI1119 LTTGEGEGRV1129 GIILTLAMNI1139 MSTLQWAVNS1149 SIDVDSLMRS 1159 VSRVFKFIDM1169 PTEGIWPSGG1208 QMTVKDLTAK1218 YTEGGNAILE1228 NISFSISPGQ 1238 RVGLLGRTGS1248 GKSTLLSAFL1258 RLLNTEGEIQ1268 IDGVSWDSIT1278 LQQWRKAFGV 1288 IPQKVFIFSG1298 TFRKNLDPYE1308 QWSDQEIWKV1318 ADEVGLRSVI1328 EQFPGKLDFV 1338 LVDGGCVLSH1348 GHKQLMCLAR1358 SVLSKAKILL1368 LDQPSAHLDP1378 VTYQIIRRTL 1388 KQAFADCTVI1398 LCEHRIEAML1408 ECQQFLVIEE1418 NKVRQYDSIQ1428 KLLNERSLFR 1438 QAISPSDRVK1448 LFP
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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 .DD9 or .DD92 or .DD93 or :3DD9;style chemicals stick;color identity;select .A:209 or .A:212 or .A:213 or .A:216 or .A:1014 or .A:1018 or .A:1021 or .A:1129 or .A:1132 or .A:1133; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Elexacaftor | Ligand Info | |||||
| Structure Description | The complex of phosphorylated human delta F508 cystic fibrosis transmembrane conductance regulator (CFTR) with elexacaftor (VX-445), lumacaftor (VX-809) and ATP/Mg | PDB:8EIO | ||||
| Method | Electron microscopy | Resolution | 2.80 Å | Mutation | Yes | [1] |
| PDB Sequence |
MQRSPLEKAS
10 VVSKLFFSWT20 RPILRKGYRQ30 RLELSDIYQI40 PSVDSADNLS50 EKLEREWDRE 60 LASKKNPKLI70 NALRRCFFWR80 FMFYGIFLYL90 GEVTKAVQPL100 LLGRIIASYD 110 PDNKEERSIA120 IYLGIGLCLL130 FIVRTLLLHP140 AIFGLHHIGM150 QMRIAMFSLI 160 YKKTLKLSSR170 VLDKISIGQL180 VSLLSNNLNK190 FDEGLALAHF200 VWIAPLQVAL 210 LMGLIWELLQ220 ASAFCGLGFL230 IVLALFQAGL240 GRMMMKYRDQ250 RAGKISERLV 260 ITSEMIENIQ270 SVKAYCWEEA280 MEKMIENLRQ290 TELKLTRKAA300 YVRYFNSSAF 310 FFSGFFVVFL320 SVLPYALIKG330 IILRKIFTTI340 SFCIVLRMAV350 TRQFPWAVQT 360 WYDSLGAINK370 IQDFLQKQEY380 KTLEYNLTTT390 EVVMENVTAF400 WEGTPVLKDI 444 NFKIERGQLL454 AVAGSTGAGK464 TSLLMVIMGE474 LEPSEGKIKH484 SGRISFCSQF 494 SWIMPGTIKE504 NIIGVSYDEY515 RYRSVIKACQ525 LEEDISKFAE535 KDNIVLGEGG 545 ITLSGGQRAR555 ISLARAVYKD565 ADLYLLDSPF575 GYLDVLTEKE585 IFESCVCKLM 595 ANKTRILVTS605 KMEHLKKADK615 ILILHEGSSY625 FYGTFSELQN635 LWNTYLRYIT 854 VHKSLIFVLI864 WCLVIFLAEV874 AASLVVLWLL884 GSYAVIITST910 SSYYVFYIYV 920 GVADTLLAMG930 FFRGLPLVHT940 LITVSKILHH950 KMLHSVLQAP960 MSTLNTLKAG 970 GILNRFSKDI980 AILDDLLPLT990 IFDFIQLLLI1000 VIGAIAVVAV1010 LQPYIFVATV 1020 PVIVAFIMLR1030 AYFLQTSQQL1040 KQLESEGRSP1050 IFTHLVTSLK1060 GLWTLRAFGR 1070 QPYFETLFHK1080 ALNLHTANWF1090 LYLSTLRWFQ1100 MRIEMIFVIF1110 FIAVTFISIL 1120 TTGEGEGRVG1130 IILTLAMNIM1140 STLQWAVNSS1150 IDVDSLMRSV1160 SRVFKFIDMP 1170 TEGIWPSGGQ1209 MTVKDLTAKY1219 TEGGNAILEN1229 ISFSISPGQR1239 VGLLGRTGSG 1249 KSTLLSAFLR1259 LLNTEGEIQI1269 DGVSWDSITL1279 QQWRKAFGVI1289 PQKVFIFSGT 1299 FRKNLDPYEQ1309 WSDQEIWKVA1319 DEVGLRSVIE1329 QFPGKLDFVL1339 VDGGCVLSHG 1349 HKQLMCLARS1359 VLSKAKILLL1369 DQPSAHLDPV1379 TYQIIRRTLK1389 QAFADCTVIL 1399 CEHRIEAMLE1409 CQQFLVIEEN1419 KVRQYDSIQK1429 LLNERSLFRQ1439 AISPSDRVKL 1449 FP
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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 .WJX or .WJX2 or .WJX3 or :3WJX;style chemicals stick;color identity;select .A:16 or .A:17 or .A:18 or .A:21 or .A:24 or .A:25 or .A:132 or .A:1029 or .A:1032 or .A:1098 or .A:1102 or .A:1105 or .A:1106 or .A:1108 or .A:1109; 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: Digitonin | Ligand Info | |||||
| Structure Description | Complex of ivacaftor with cystic fibrosis transmembrane conductance regulator (CFTR) | PDB:6O2P | ||||
| Method | Electron microscopy | Resolution | 3.30 Å | Mutation | Yes | [5] |
| PDB Sequence |
MQRSPLEKAS
10 VVSKLFFSWT20 RPILRKGYRQ30 RLELSDIYQI40 PSVDSADNLS50 EKLEREWDRE 60 LASKKNPKLI70 NALRRCFFWR80 FMFYGIFLYL90 GEVTKAVQPL100 LLGRIIASYD 110 PDNKEERSIA120 IYLGIGLCLL130 FIVRTLLLHP140 AIFGLHHIGM150 QMRIAMFSLI 160 YKKTLKLSSR170 VLDKISIGQL180 VSLLSNNLNK190 FDEGLALAHF200 VWIAPLQVAL 210 LMGLIWELLQ220 ASAFCGLGFL230 IVLALFQAGL240 GRMMMKYRDQ250 RAGKISERLV 260 ITSEMIENIQ270 SVKAYCWEEA280 MEKMIENLRQ290 TELKLTRKAA300 YVRYFNSSAF 310 FFSGFFVVFL320 SVLPYALIKG330 IILRKIFTTI340 SFCIVLRMAV350 TRQFPWAVQT 360 WYDSLGAINK370 IQDFLQKQEY380 KTLEYNLTTT390 EVVMENVTAF400 WEEGFGELFG 437 TPVLKDINFK447 IERGQLLAVA457 GSTGAGKTSL467 LMVIMGELEP477 SEGKIKHSGR 487 ISFCSQFSWI497 MPGTIKENII507 FGVSYDEYRY517 RSVIKACQLE527 EDISKFAEKD 537 NIVLGEGGIT547 LSGGQRARIS557 LARAVYKDAD567 LYLLDSPFGY577 LDVLTEKEIF 587 ESCVCKLMAN597 KTRILVTSKM607 EHLKKADKIL617 ILHEGSSYFY627 GTFSELQNLQ 637 TWNTYLRYIT854 VHKSLIFVLI864 WCLVIFLAEV874 AASLVVLWLL884 GNTPLNNSYA 904 VIITSTSSYY914 VFYIYVGVAD924 TLLAMGFFRG934 LPLVHTLITV944 SKILHHKMLH 954 SVLQAPMSTL964 NTLKAGGILN974 RFSKDIAILD984 DLLPLTIFDF994 IQLLLIVIGA 1004 IAVVAVLQPY1014 IFVATVPVIV1024 AFIMLRAYFL1034 QTSQQLKQLE1044 SEGRSPIFTH 1054 LVTSLKGLWT1064 LRAFGRQPYF1074 ETLFHKALNL1084 HTANWFLYLS1094 TLRWFQMRIE 1104 MIFVIFFIAV1114 TFISILTTGE1124 GEGRVGIILT1134 LAMNIMSTLQ1144 WAVNSSIDVD 1154 SLMRSVSRVF1164 KFIDMPTEGD1202 IWPSGGQMTV1212 KDLTAKYTEG1222 GNAILENISF 1232 SISPGQRVGL1242 LGRTGSGKST1252 LLSAFLRLLN1262 TEGEIQIDGV1272 SWDSITLQQW 1282 RKAFGVIPQK1292 VFIFSGTFRK1302 NLDPYEQWSD1312 QEIWKVADEV1322 GLRSVIEQFP 1332 GKLDFVLVDG1342 GCVLSHGHKQ1352 LMCLARSVLS1362 KAKILLLDQP1372 SAHLDPVTYQ 1382 IIRRTLKQAF1392 ADCTVILCEH1402 RIEAMLECQQ1412 FLVIEENKVR1422 QYDSIQKLLN 1432 ERSLFRQAIS1442 PSDRVKLFP
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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 .AJP or .AJP2 or .AJP3 or :3AJP;style chemicals stick;color identity;select .A:89 or .A:206 or .A:209 or .A:210 or .A:213 or .A:214 or .A:216 or .A:217; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(2-Phenylethyl)adenosine 5'-(Tetrahydrogen Triphosphate) | Ligand Info | |||||
| Structure Description | Crystal structure of human NBD2 complexed with N6-Phenylethyl-ATP (P-ATP) | PDB:3GD7 | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | Yes | [13] |
| PDB Sequence |
DIWPSGGQMT
1211 VKDLTAKYTE1221 GGNAILENIS1231 FSISPGQRVG1241 LLGRTGSGKS1251 TLLSAFLRLL 1261 NTEGEIQIDG1271 VSWDSITLEQ1281 WRKAFGVIPQ1291 KVFIFSGTFR1301 KNLDPNAAHS 1311 DQEIWKVADE1321 VGLRSVIEQF1331 PGKLDFVLVD1341 GGCVLSHGHK1351 QLMCLARSVL 1361 SKAKILLLDE1371 PSAHLDPVTY1381 QIIRRTLKQA1391 FADCTVILCE1401 ARIEAMLECD 1411 QFLVIEENKV1421 RQYDSILELY1431 HYPADRFVAG1441 FIGSPKMNFL1451 PVKVTATAID 1461 QVQVELPMPN1471 RQQVWLPVES1481 RDVQVGANMS1491 LGIRPEHLLP1501 SDIADVILEG 1511 EVQVVEQLGN1521 ETQIHIQIPS1531 IRQNLVYRQN1541 DVVLVEEGAT1551 FAIGLPPERC 1561 HLFREDGTAC1571 RRLHKEPG
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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 .B44 or .B442 or .B443 or :3B44;style chemicals stick;color identity;select .A:1219 or .A:1226 or .A:1244 or .A:1245 or .A:1246 or .A:1247 or .A:1248 or .A:1249 or .A:1250 or .A:1251 or .A:1252 or .A:1255 or .A:1260 or .A:1261; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2'-Deoxycytidine-5'-triphosphate | Ligand Info | |||||
| Structure Description | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dCTP | PDB:5TFJ | ||||
| Method | X-ray diffraction | Resolution | 1.85 Å | Mutation | Yes | [14] |
| PDB Sequence |
TEVVMENVTA
399 FWEEGGTPVL441 KDINFKIERG451 QLLAVAGSTG461 AGKTSLLMMI471 MGELEPSEGK 481 IKHSGRISFC491 SQFSWIMPGT501 IKENIIFGVS511 YDEYRYRSVI521 KACQLEEDIS 531 KFAEKDNIVL541 GEGGITLSGG551 QRARISLARA561 VYKDADLYLL571 DSPFGYLDVL 581 TEKEIFESCV591 CKLMANKTRI601 LVTSKMEHLK611 KADKILILHE621 GSSYFYGTFS 631 ELQNL
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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 .DCP or .DCP2 or .DCP3 or :3DCP;style chemicals stick;color identity;select .A:401 or .A:440 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:464 or .A:465 or .A:466 or .A:493; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 2'-Deoxyguanosine-5'-triphosphate | Ligand Info | |||||
| Structure Description | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with dGTP | PDB:5TFI | ||||
| Method | X-ray diffraction | Resolution | 1.89 Å | Mutation | Yes | [15] |
| PDB Sequence |
TEVVMENVTA
399 FWEEGGTPVL441 KDINFKIERG451 QLLAVAGSTG461 AGKTSLLMMI471 MGELEPSEGK 481 IKHSGRISFC491 SQFSWIMPGT501 IKENIIFGVS511 YDEYRYRSVI521 KACQLEEDIS 531 KFAEKDNIVL541 GEGGITLSGG551 QRARISLARA561 VYKDADLYLL571 DSPFGYLDVL 581 TEKEIFESCV591 CKLMANKTRI601 LVTSKMEHLK611 KADKILILHE621 GSSYFYGTFS 631 ELQNLQP
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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 .DGT or .DGT2 or .DGT3 or :3DGT;style chemicals stick;color identity;select .A:401 or .A:402 or .A:440 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:464 or .A:465 or .A:466 or .A:493; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 5-methyl-UTP | Ligand Info | |||||
| Structure Description | Nucleotide-binding domain 1 of the human cystic fibrosis transmembrane conductance regulator (CFTR) with 5-methyl-UTP | PDB:5TFG | ||||
| Method | X-ray diffraction | Resolution | 1.91 Å | Mutation | Yes | [16] |
| PDB Sequence |
TEVVMENVTA
399 FWEEGGTPVL441 KDINFKIERG451 QLLAVAGSTG461 AGKTSLLMMI471 MGELEPSEGK 481 IKHSGRISFC491 SQFSWIMPGT501 IKENIIFGVS511 YDEYRYRSVI521 KACQLEEDIS 531 KFAEKDNIVL541 GEGGITLSGG551 QRARISLARA561 VYKDADLYLL571 DSPFGYLDVL 581 TEKEIFESCV591 CKLMANKTRI601 LVTSKMEHLK611 KADKILILHE621 GSSYFYGTFS 631 ELQNL
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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 .M5T or .M5T2 or .M5T3 or :3M5T;style chemicals stick;color identity;select .A:401 or .A:440 or .A:458 or .A:459 or .A:460 or .A:461 or .A:462 or .A:463 or .A:464 or .A:465 or .A:466 or .A:469 or .A:493; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: [2-(2-Methylphenyl)sulfanylphenyl]methanamine | Ligand Info | |||||
| Structure Description | Crystal structure of human 14-3-3 protein beta in complex with CFTR peptide pS753pS768 and PPI stabilizer CY007424 | PDB:7QI1 | ||||
| Method | X-ray diffraction | Resolution | 1.76 Å | Mutation | No | [3] |
| PDB Sequence |
ILPRIVISTG
758 RRRQVLNLMT774
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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 .Q95 or .Q952 or .Q953 or :3Q95;style chemicals stick;color identity;select .F:751; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Molecular structures reveal synergistic rescue of Delta508 CFTR by Trikafta modulators. Science. 2022 Oct 21;378(6617):284-290. | ||||
| REF 2 | Structures of a minimal human CFTR first nucleotide-binding domain as a monomer, head-to-tail homodimer, and pathogenic mutant. Protein Eng Des Sel. 2010 May;23(5):375-84. | ||||
| REF 3 | Macrocycle-stabilization of its interaction with 14-3-3 increases plasma membrane localization and activity of CFTR. Nat Commun. 2022 Jun 23;13(1):3586. | ||||
| REF 4 | Mechanism of CFTR correction by type I folding correctors. Cell. 2022 Jan 6;185(1):158-168.e11. | ||||
| REF 5 | Structural identification of a hotspot on CFTR for potentiation. Science. 2019 Jun 21;364(6446):1184-1188. | ||||
| REF 6 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain | ||||
| REF 7 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain | ||||
| REF 8 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain | ||||
| REF 9 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain | ||||
| REF 10 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain | ||||
| REF 11 | Ligand binding to a remote site thermodynamically corrects the F508del mutation in the human cystic fibrosis transmembrane conductance regulator. J Biol Chem. 2018 Nov 16;293(46):17685-17704. | ||||
| REF 12 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain | ||||
| REF 13 | Crystal structure of human NBD2 complexed with N6-Phenylethyl-ATP (P-ATP) | ||||
| REF 14 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain | ||||
| REF 15 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain | ||||
| REF 16 | Thermodynamic correction of F508del-CFTR by ligand binding to a remote site in the mutated domain | ||||
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