Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T57392 | Target Info | |||
| Target Name | Debrisoquine 4-hydroxylase (CYP2D6) | ||||
| Synonyms | P450-DB1; Cytochrome P450-DB1; Cytochrome P450 2D6; CYPIID6; CYP2DL1 | ||||
| Target Type | Successful Target | ||||
| Gene Name | CYP2D6 | ||||
| Biochemical Class | Paired donor oxygen oxidoreductase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Quinine | Ligand Info | |||||
| Structure Description | Human Cytochrome P450 2D6 Quinine Complex | PDB:4WNV | ||||
| Method | X-ray diffraction | Resolution | 2.35 Å | Mutation | No | [1] |
| PDB Sequence |
GKLPPGPLPL
40 PGLGNLLFQN53 TPYCFDQLRR63 RFGDVFSLQL73 AWTPVVVLNG83 LAAVREALVT 93 HGEDTADRPP103 VPITQILGFG113 PRSQGVFLAR123 YGPAWREQRR133 FSVSTLRNLG 143 LGKKSLEQWV153 TEEAACLCAA163 FANHSGRPFR173 PNGLLDKAVS183 NVIASLTCGR 193 RFEYDDPRFL203 RLLDLAQEGL213 KEESGFLREV223 LNAVPVLLHI233 PALAGKVLRF 243 QKAFLTQLDE253 LLTEHRMTWD263 PAQPPRDLTE273 AFLAEMEKAK283 GNPESSFNDE 293 NLRIVVADLF303 SAGMVTTSTT313 LAWGLLLMIL323 HPDVQRRVQQ333 EIDDVIGQVR 343 RPEMGDQAHM353 PYTTAVIHEV363 QRFGDIVPLG373 VTHMTSRDIE383 VQGFRIPKGT 393 TLITNLSSVL403 KDEAVWEKPF413 RFHPEHFLDA423 QGHFVKPEAF433 LPFSAGRRAC 443 LGEPLARMEL453 FLFFTSLLQH463 FSFSVPTGQP473 RPSHHGVFAF483 LVSPSPYELC 493 AVPR
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| Ligand Name: Prinomastat | Ligand Info | |||||
| Structure Description | V308E mutant of cytochrome P450 2D6 complexed with prinomastat | PDB:6CSD | ||||
| Method | X-ray diffraction | Resolution | 2.39 Å | Mutation | Yes | [2] |
| PDB Sequence |
KLPPGPNLLH
48 VDFQNTPYCF58 DQLRRRFGDV68 FSLQLAWTPV78 VVLNGLAAVR88 EALVTHGEDT 98 ADRPPVPITQ108 ILGFGPRSQG118 VFLARYGPAW128 REQRRFSVST138 LRNLGLGKKS 148 LEQWVTEEAA158 CLCAAFANHS168 GRPFRPNGLL178 DKAVSNVIAS188 LTCGRRFEYD 198 DPRFLRLLDL208 AQEGLKEESG218 FLREVLNAVP228 VLLHIPALAG238 KVLRFQKAFL 248 TQLDELLTEH258 RMTWDPAQPP268 RDLTEAFLAE278 MEKAKGNPES288 SFNDENLRIV 298 VADLFSAGME308 TTSTTLAWGL318 LLMILHPDVQ328 RRVQQEIDDV338 IGQVRRPEMG 348 DQAHMPYTTA358 VIHEVQRFGD368 IVPLGVTHMT378 SRDIEVQGFR388 IPKGTTLITN 398 LSSVLKDEAV408 WEKPFRFHPE418 HFLDAQGHFV428 KPEAFLPFSA438 GRRACLGEPL 448 ARMELFLFFT458 SLLQHFSFSV468 PTGQPRPSHH478 GVFAFLVSPS488 PYELCAVPRH 498 HH
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LEU110
4.031
PHE112
4.015
PHE120
3.425
LEU121
3.678
ALA209
4.917
GLY212
3.520
LEU213
3.767
GLU216
3.435
GLN244
3.483
PHE247
4.725
ILE297
3.811
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Ajmalicine | Ligand Info | |||||
| Structure Description | Human Cytochrome P450 2D6 Ajmalicine Complex | PDB:4WNT | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [1] |
| PDB Sequence |
GKLPPGPLPD
50 FQNTPYCFDQ60 LRRRFGDVFS70 LQLAWTPVVV80 LNGLAAVREA90 LVTHGEDTAD 100 RPPVPITQIL110 GFGPRSQGVF120 LARYGPAWRE130 QRRFSVSTLR140 NLGLGKKSLE 150 QWVTEEAACL160 CAAFANHSGR170 PFRPNGLLDK180 AVSNVIASLT190 CGRRFEYDDP 200 RFLRLLDLAQ210 EGLKEESGFL220 REVLNAVPVL230 LHIPALAGKV240 LRFQKAFLTQ 250 LDELLTEHRM260 TWDPAQPPRD270 LTEAFLAEME280 KAKGNPESSF290 NDENLRIVVA 300 DLFSAGMVTT310 STTLAWGLLL320 MILHPDVQRR330 VQQEIDDVIG340 QVRRPEMGDQ 350 AHMPYTTAVI360 HEVQRFGDIV370 PLGVTHMTSR380 DIEVQGFRIP390 KGTTLITNLS 400 SVLKDEAVWE410 KPFRFHPEHF420 LDAQGHFVKP430 EAFLPFSAGR440 RACLGEPLAR 450 MELFLFFTSL460 LQHFSFSVPT470 GQPRPSHHGV480 FAFLVSPSPY490 ELCAVPR |
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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 .AJN or .AJN2 or .AJN3 or :3AJN;style chemicals stick;color identity;select .A:110 or .A:112 or .A:120 or .A:121 or .A:208 or .A:209 or .A:212 or .A:213 or .A:216 or .A:244 or .A:247 or .A:248 or .A:297 or .A:300 or .A:301 or .A:304 or .A:305 or .A:308 or .A:309 or .A:374 or .A:483 or .A:484; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
LEU110
3.263
PHE112
4.160
PHE120
3.464
LEU121
3.820
LEU208
3.720
ALA209
3.467
GLY212
3.551
LEU213
3.296
GLU216
2.853
GLN244
3.388
PHE247
3.546
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| Ligand Name: 10-{2-[(2r)-1-Methylpiperidin-2-Yl]ethyl}-2-(Methylsulfanyl)-10h-Phenothiazine | Ligand Info | |||||
| Structure Description | Human cytochrome P450 2D6 with two thioridazines bound in active site | PDB:3TBG | ||||
| Method | X-ray diffraction | Resolution | 2.10 Å | Mutation | No | [1] |
| PDB Sequence |
GKLPPGPLPL
40 PGLGNLLHVD50 FQNTPYCFDQ60 LRRRFGDVFS70 LQLAWTPVVV80 LNGLAAVREA 90 LVTHGEDTAD100 RPPVPITQIL110 GFGPRSQGVF120 LARYGPAWRE130 QRRFSVSTLR 140 NLGLGKKSLE150 QWVTEEAACL160 CAAFANHSGR170 PFRPNGLLDK180 AVSNVIASLT 190 CGRRFEYDDP200 RFLRLLDLAQ210 EGLKEESGFL220 REVLNAVPVL230 LHIPALAGKV 240 LRFQKAFLTQ250 LDELLTEHRM260 TWDPAQPPRD270 LTEAFLAEME280 KAKGNPESSF 290 NDENLRIVVA300 DLFSAGMVTT310 STTLAWGLLL320 MILHPDVQRR330 VQQEIDDVIG 340 QVRRPEMGDQ350 AHMPYTTAVI360 HEVQRFGDIV370 PLGVTHMTSR380 DIEVQGFRIP 390 KGTTLITNLS400 SVLKDEAVWE410 KPFRFHPEHF420 LDAQGHFVKP430 EAFLPFSAGR 440 RACLGEPLAR450 MELFLFFTSL460 LQHFSFSVPT470 GQPRPSHHGV480 FAFLVSPSPY 490 ELCAVPR
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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 .RTZ or .RTZ2 or .RTZ3 or :3RTZ;style chemicals stick;color identity;select .A:51 or .A:54 or .A:73 or .A:76 or .A:78 or .A:110 or .A:112 or .A:120 or .A:121 or .A:208 or .A:209 or .A:212 or .A:213 or .A:216 or .A:217 or .A:222 or .A:244 or .A:247 or .A:248 or .A:297 or .A:300 or .A:301 or .A:304 or .A:305 or .A:308 or .A:372 or .A:373 or .A:374 or .A:375 or .A:394 or .A:396 or .A:481 or .A:483; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE51
3.713
THR54
3.541
LEU73
3.850
THR76
3.377
VAL78
3.859
LEU110
3.868
PHE112
3.699
PHE120
3.574
LEU121
3.688
LEU208
4.711
ALA209
3.822
GLY212
3.477
LEU213
3.706
GLU216
3.291
SER217
3.975
GLU222
2.964
GLN244
3.570
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Quinidine | Ligand Info | |||||
| Structure Description | Human Cytochrome P450 2D6 Quinidine Complex | PDB:4WNU | ||||
| Method | X-ray diffraction | Resolution | 2.26 Å | Mutation | No | [1] |
| PDB Sequence |
GKLPPGPNTP
55 YCFDQLRRRF65 GDVFSLQLAW75 TPVVVLNGLA85 AVREALVTHG95 EDTADRPPVP 105 ITQILGFGPR115 SQGVFLARYG125 PAWREQRRFS135 VSTLRNLGLS148 LEQWVTEEAA 158 CLCAAFANHS168 GRPFRPNGLL178 DKAVSNVIAS188 LTCGRRFEYD198 DPRFLRLLDL 208 AQEGLKEESG218 FLREVLNAVP228 VLLHIPALAG238 KVLRFQKAFL248 TQLDELLTEH 258 RMTWDPAQPP268 RDLTEAFLAE278 MEKAKGNPES288 SFNDENLRIV298 VADLFSAGMV 308 TTSTTLAWGL318 LLMILHPDVQ328 RRVQQEIDDV338 IGQVRRPEMG348 DQAHMPYTTA 358 VIHEVQRFGD368 IVPLGVTHMT378 SRDIEVQGFR388 IPKGTTLITN398 LSSVLKDEAV 408 WEKPFRFHPE418 HFLDAQGHFV428 KPEAFLPFSA438 GRRACLGEPL448 ARMELFLFFT 458 SLLQHFSFSV468 PTGQPRPSHH478 GVFAFLVSPS488 PYELCAVPR
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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 .QDN or .QDN2 or .QDN3 or :3QDN;style chemicals stick;color identity;select .A:110 or .A:112 or .A:120 or .A:121 or .A:208 or .A:209 or .A:212 or .A:213 or .A:216 or .A:244 or .A:247 or .A:248 or .A:297 or .A:300 or .A:301 or .A:304 or .A:305 or .A:483; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Chaps | Ligand Info | |||||
| Structure Description | V308E mutant of cytochrome P450 2D6 complexed with prinomastat | PDB:6CSD | ||||
| Method | X-ray diffraction | Resolution | 2.39 Å | Mutation | Yes | [2] |
| PDB Sequence |
KLPPGPNLLH
48 VDFQNTPYCF58 DQLRRRFGDV68 FSLQLAWTPV78 VVLNGLAAVR88 EALVTHGEDT 98 ADRPPVPITQ108 ILGFGPRSQG118 VFLARYGPAW128 REQRRFSVST138 LRNLGLGKKS 148 LEQWVTEEAA158 CLCAAFANHS168 GRPFRPNGLL178 DKAVSNVIAS188 LTCGRRFEYD 198 DPRFLRLLDL208 AQEGLKEESG218 FLREVLNAVP228 VLLHIPALAG238 KVLRFQKAFL 248 TQLDELLTEH258 RMTWDPAQPP268 RDLTEAFLAE278 MEKAKGNPES288 SFNDENLRIV 298 VADLFSAGME308 TTSTTLAWGL318 LLMILHPDVQ328 RRVQQEIDDV338 IGQVRRPEMG 348 DQAHMPYTTA358 VIHEVQRFGD368 IVPLGVTHMT378 SRDIEVQGFR388 IPKGTTLITN 398 LSSVLKDEAV408 WEKPFRFHPE418 HFLDAQGHFV428 KPEAFLPFSA438 GRRACLGEPL 448 ARMELFLFFT458 SLLQHFSFSV468 PTGQPRPSHH478 GVFAFLVSPS488 PYELCAVPRH 498 HH
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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 .CPS or .CPS2 or .CPS3 or :3CPS;style chemicals stick;color identity;select .A:54 or .A:58 or .A:73 or .A:76 or .A:78 or .A:216 or .A:217 or .A:222 or .A:372 or .A:373 or .A:374 or .A:375 or .A:394 or .A:396 or .A:483; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: N-(2-hydroxyethyl)-N-[(2R,3R,4S,5S)-2,3,4,5,6-pentahydroxyhexyl]decanamide | Ligand Info | |||||
| Structure Description | V308E mutant of cytochrome P450 2D6 complexed with thioridazine | PDB:6CSB | ||||
| Method | X-ray diffraction | Resolution | 2.39 Å | Mutation | Yes | [3] |
| PDB Sequence |
KLPPGPNTPY
56 CFDQLRRRFG66 DVFSLQLAWT76 PVVVLNGLAA86 VREALVTHGE96 DTADRPPVPI 106 TQILGFGPRS116 QGVFLARYGP126 AWREQRRFSV136 STLRNLGLGK146 KSLEQWVTEE 156 AACLCAAFAN166 HSGRPFRPNG176 LLDKAVSNVI186 ASLTCGRRFE196 YDDPRFLRLL 206 DLAQEGLKEE216 SGFLREVLNA226 VPVLLHIPAL236 AGKVLRFQKA246 FLTQLDELLT 256 EHRMTWDPAQ266 PPRDLTEAFL276 AEMEKAKGNP286 ESSFNDENLR296 IVVADLFSAG 306 METTSTTLAW316 GLLLMILHPD326 VQRRVQQEID336 DVIGQVRRPE346 MGDQAHMPYT 356 TAVIHEVQRF366 GDIVPLGVTH376 MTSRDIEVQG386 FRIPKGTTLI396 TNLSSVLKDE 406 AVWEKPFRFH416 PEHFLDAQGH426 FVKPEAFLPF436 SAGRRACLGE446 PLARMELFLF 456 FTSLLQHFSF466 SVPTGQPRPS476 HHGVFAFLVS486 PSPYELCAVP496 RH |
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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 .2CV or .2CV2 or .2CV3 or :32CV;style chemicals stick;color identity;select .A:120 or .A:304 or .A:305 or .A:306 or .A:309 or .A:370 or .A:373 or .A:374 or .A:443 or .A:483 or .A:484; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (4ar,6r,8as)-8a-(2,4-Difluorophenyl)-6-(1h-Pyrazol-4-Yl)-4,4a,5,6,8,8a-Hexahydropyrano[3,4-D][1,3]thiazin-2-Amine | Ligand Info | |||||
| Structure Description | Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex | PDB:4XRZ | ||||
| Method | X-ray diffraction | Resolution | 2.40 Å | Mutation | No | [4] |
| PDB Sequence |
GKLPPGPLPD
50 FQNTPYCFDQ60 LRRRFGDVFS70 LQLAWTPVVV80 LNGLAAVREA90 LVTHGEDTAD 100 RPPVPITQIL110 GFGPRSQGVF120 LARYGPAWRE130 QRRFSVSTLR140 NLGLGKKSLE 150 QWVTEEAACL160 CAAFANHSGR170 PFRPNGLLDK180 AVSNVIASLT190 CGRRFEYDDP 200 RFLRLLDLAQ210 EGLKEESGFL220 REVLNAVPVL230 LHIPALAGKV240 LRFQKAFLTQ 250 LDELLTEHRM260 TWDPAQPPRD270 LTEAFLAEME280 KAKGNPESSF290 NDENLRIVVA 300 DLFSAGMVTT310 STTLAWGLLL320 MILHPDVQRR330 VQQEIDDVIG340 QVRRPEMGDQ 350 AHMPYTTAVI360 HEVQRFGDIV370 PLGVTHMTSR380 DIEVQGFRIP390 KGTTLITNLS 400 SVLKDEAVWE410 KPFRFHPEHF420 LDAQGHFVKP430 EAFLPFSAGR440 RACLGEPLAR 450 MELFLFFTSL460 LQHFSFSVPT470 GQPRPSHHGV480 FAFLVSPSPY490 ELCAVPR |
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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 .SI6 or .SI62 or .SI63 or :3SI6;style chemicals stick;color identity;select .A:120 or .A:121 or .A:208 or .A:209 or .A:212 or .A:213 or .A:216 or .A:244 or .A:300 or .A:301 or .A:304 or .A:305 or .A:308 or .A:309 or .A:370 or .A:443 or .A:483 or .A:484; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (4ar,6r,8as)-8a-(2,4-Difluorophenyl)-6-(1-Methyl-1h-Pyrazol-4-Yl)-4,4a,5,6,8,8a-Hexahydropyrano[3,4-D][1,3]thiazin-2-Amine | Ligand Info | |||||
| Structure Description | Human Cytochrome P450 2D6 BACE1 Inhibitor 5 Complex | PDB:4XRY | ||||
| Method | X-ray diffraction | Resolution | 2.50 Å | Mutation | No | [4] |
| PDB Sequence |
GKLPPGPLPL
40 PGLGNLLHVD50 TPYCFDQLRR63 RFGDVFSLQL73 AWTPVVVLNG83 LAAVREALVT 93 HGEDTADRPP103 VPITQILGFG113 PRSQGVFLAR123 YGPAWREQRR133 FSVSTLRNLG 143 LGKKSLEQWV153 TEEAACLCAA163 FANHSGRPFR173 PNGLLDKAVS183 NVIASLTCGR 193 RFEYDDPRFL203 RLLDLAQEGL213 KEESGFLREV223 LNAVPVLLHI233 PALAGKVLRF 243 QKAFLTQLDE253 LLTEHRMTWD263 PAQPPRDLTE273 AFLAEMEKAK283 GNPESSFNDE 293 NLRIVVADLF303 SAGMVTTSTT313 LAWGLLLMIL323 HPDVQRRVQQ333 EIDDVIGQVR 343 RPEMGDQAHM353 PYTTAVIHEV363 QRFGDIVPLG373 VTHMTSRDIE383 VQGFRIPKGT 393 TLITNLSSVL403 KDEAVWEKPF413 RFHPEHFLDA423 QGHFVKPEAF433 LPFSAGRRAC 443 LGEPLARMEL453 FLFFTSLLQH463 FSFSVPTGQP473 RPSHHGVFAF483 LVSPSPYELC 493 AVPR
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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 .SI5 or .SI52 or .SI53 or :3SI5;style chemicals stick;color identity;select .A:120 or .A:121 or .A:208 or .A:209 or .A:212 or .A:213 or .A:216 or .A:243 or .A:244 or .A:247 or .A:300 or .A:301 or .A:304 or .A:305 or .A:308 or .A:309 or .A:370 or .A:374 or .A:483 or .A:484; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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PHE120
3.532
LEU121
3.820
LEU208
4.361
ALA209
3.303
GLY212
3.785
LEU213
3.823
GLU216
2.415
PHE243
4.749
GLN244
3.040
PHE247
3.806
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| Ligand Name: (4s)-4-[2,4-Difluoro-5-({[1-(Trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4-Methyl-5,6-Dihydro-4h-1,3-Thiazin-2-Amine | Ligand Info | |||||
| Structure Description | Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex | PDB:5TFT | ||||
| Method | X-ray diffraction | Resolution | 2.71 Å | Mutation | No | [5] |
| PDB Sequence |
GKLPPGPLPL
40 PGLGNLLHVD50 FQNTPYCFDQ60 LRRRFGDVFS70 LQLAWTPVVV80 LNGLAAVREA 90 LVTHGEDTAD100 RPPVPITQIL110 GFGPRSQGVF120 LARYGPAWRE130 QRRFSVSTLR 140 NLGLGKKSLE150 QWVTEEAACL160 CAAFANHSGR170 PFRPNGLLDK180 AVSNVIASLT 190 CGRRFEYDDP200 RFLRLLDLAQ210 EGLKEESGFL220 REVLNAVPVL230 LHIPALAGKV 240 LRFQKAFLTQ250 LDELLTEHRM260 TWDPAQPPRD270 LTEAFLAEME280 KAKGNPESSF 290 NDENLRIVVA300 DLFSAGMVTT310 STTLAWGLLL320 MILHPDVQRR330 VQQEIDDVIG 340 QVRRPEMGDQ350 AHMPYTTAVI360 HEVQRFGDIV370 PLGVTHMTSR380 DIEVQGFRIP 390 KGTTLITNLS400 SVLKDEAVWE410 KPFRFHPEHF420 LDAQGHFVKP430 EAFLPFSAGR 440 RACLGEPLAR450 MELFLFFTSL460 LQHFSFSVPT470 GQPRPSHHGV480 FAFLVSPSPY 490 ELCAVPR
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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 .P6U or .P6U2 or .P6U3 or :3P6U;style chemicals stick;color identity;select .A:110 or .A:112 or .A:120 or .A:121 or .A:209 or .A:212 or .A:213 or .A:216 or .A:244 or .A:247 or .A:248 or .A:300 or .A:301 or .A:304 or .A:305 or .A:308; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: (4s,6r)-4-[2,4-Difluoro-5-({[1-(Trifluoromethyl)cyclopropyl]amino}methyl)phenyl]-4,6-Dimethyl-5,6-Dihydro-4h-1,3-Thiazin-2-Amine | Ligand Info | |||||
| Structure Description | Structure of cytochrome P450 2D6 (CYP2D6) BACE1 inhibitor complex | PDB:5TFU | ||||
| Method | X-ray diffraction | Resolution | 2.75 Å | Mutation | No | [5] |
| PDB Sequence |
GKLPPGPTPY
56 CFDQLRRRFG66 DVFSLQLAWT76 PVVVLNGLAA86 VREALVTHGE96 DTADRPPVPI 106 TQILGFGPRS116 QGVFLARYGP126 AWREQRRFSV136 STLRNLGLGK146 KSLEQWVTEE 156 AACLCAAFAN166 HSGRPFRPNG176 LLDKAVSNVI186 ASLTCGRRFE196 YDDPRFLRLL 206 DLAQEGLKEE216 SGFLREVLNA226 VPVLLHIPAL236 AGKVLRFQKA246 FLTQLDELLT 256 EHRMTWDPAQ266 PPRDLTEAFL276 AEMEKAKGNP286 ESSFNDENLR296 IVVADLFSAG 306 MVTTSTTLAW316 GLLLMILHPD326 VQRRVQQEID336 DVIGQVRRPE346 MGDQAHMPYT 356 TAVIHEVQRF366 GDIVPLGVTH376 MTSRDIEVQG386 FRIPKGTTLI396 TNLSSVLKDE 406 AVWEKPFRFH416 PEHFLDAQGH426 FVKPEAFLPF436 SAGRRACLGE446 PLARMELFLF 456 FTSLLQHFSF466 SVPTGQPRPS476 HHGVFAFLVS486 PSPYELCAVP496 R |
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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 .P6M or .P6M2 or .P6M3 or :3P6M;style chemicals stick;color identity;select .A:110 or .A:112 or .A:120 or .A:121 or .A:208 or .A:209 or .A:212 or .A:213 or .A:216 or .A:244 or .A:245 or .A:247 or .A:248 or .A:297 or .A:300 or .A:301 or .A:304 or .A:305 or .A:308; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Contributions of ionic interactions and protein dynamics to cytochrome P450 2D6 (CYP2D6) substrate and inhibitor binding. J Biol Chem. 2015 Feb 20;290(8):5092-5104. | ||||
| REF 2 | Characteristic conformational changes on the distal and proximal surfaces of cytochrome P450 2D6 in response to substrate binding | ||||
| REF 3 | Characteristic conformational changes on the distal and proximal surfaces of cytochrome P450 2D6 in response to substrate binding | ||||
| REF 4 | Utilizing structures of CYP2D6 and BACE1 complexes to reduce risk of drug-drug interactions with a novel series of centrally efficacious BACE1 inhibitors. J Med Chem. 2015 Apr 9;58(7):3223-52. | ||||
| REF 5 | Aminomethyl-Derived Beta Secretase (BACE1) Inhibitors: Engaging Gly230 without an Anilide Functionality. J Med Chem. 2017 Jan 12;60(1):386-402. | ||||
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