Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T94444 | Target Info | |||
| Target Name | Aldehyde oxidase (AOX1) | ||||
| Synonyms | AOX1 | ||||
| Target Type | Successful Target | ||||
| Gene Name | AOX1 | ||||
| Biochemical Class | Aldehyde/oxo donor oxidoreductase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Raloxifene | Ligand Info | |||||
| Structure Description | Human Aldehyde Oxidase SNP R1231H in complex with Raloxifene | PDB:7OPN | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [1] |
| PDB Sequence |
ASELLFYVNG
13 RKVIEKNVDP23 ETMLLPYLRK33 KLRLTGTKYG43 CGGGGCGACT53 VMISRYNPIT 63 KRIRHHPANA73 CLIPICSLYG83 AAVTTVEGIG93 STHTRIHPVQ103 ERIAKCHGTQ 113 CGFCTPGMVM123 SIYTLLRNHP133 EPTLDQLTDA143 LGGNLCRCTG153 YRPIIDACKT 163 FCKPKLFAEE205 EFLPLDPTQE215 LIFPPELMIM225 AEKQSQRTRV235 FGSERMMWFS 245 PVTLKELLEF255 KFKYPQAPVI265 MGNTSVGPEV275 KFKGVFHPVI285 ISPDRIEELS 295 VVNHAYNGLT305 LGAGLSLAQV315 KDILADVVQK325 LPEEKTQMYH335 ALLKHLGTLA 345 GSQIRNMASL355 GGHIISRHPD365 SDLNPILAVG375 NCTLNLLSKE385 GKRQIPLNEQ 395 FLSKCPNADL405 KPQEILVSVN415 IPYSRKWEFV425 SAFRQAQRQE435 NALAIVNSGM 445 RVFFGEGDGI455 IRELCISYGG465 VGPATICAKN475 SCQKLIGRHW485 NEQMLDIACR 495 LILNEVSLLG505 SAPGGKVEFK515 RTLIISFLFK525 FYLEVSQILK535 KMDPVHYPSL 545 ADKYESALED555 LHSKHHCSTL565 KYQNQHPEDP579 IGHPIMHLSG589 VKHATGEAIY 599 CDDMPLVDQE609 LFLTFVTSSR619 AHAKIVSIDL629 SEALSMPGVV639 DIMTAEHLSD 649 VNSFCFFTEA659 EKFLATDKVF669 CVGQLVCAVL679 ADSEVQAKRA689 AKRVKIVYQD 699 LEPLILTIEE709 SIQHNSSFKP719 ERKLEYGNVD729 EAFKVVDQIL739 EGEIHMGGQE 749 HFYMETQSML759 VVPKGEDQEM769 DVYVSTQFPK779 YIQDIVASTL789 KLPANKVMCH 799 VRRVGGAFGG809 KVLKTGIIAA819 VTAFAANKHG829 RAVRCVLERG839 EDMLITGGRH 849 PYLGKYKAGF859 MNDGRILALD869 MEHYSNAGAS879 LDESLFVIEM889 GLLKMDNAYK 899 FPNLRCRGWA909 CRTNLPSNTA919 FRGFGFPQAA929 LITESCITEV939 AAKCGLSPEK 949 VRIINMYKEI959 DQTPYKQEIN969 AKNLIQCWRE979 CMAMSSYSLR989 KVAVEKFNAE 999 NYWKKKGLAM1009 VPLKFPVGLG1019 SRAAGQAAAL1029 VHIYLDGSVL1039 VTHGGIEMGQ 1049 GVHTKMIQVV1059 SRELRMPMSN1069 VHLRGTSTET1079 VPNANISGGS1089 VVADLNGLAV 1099 KDACQTLLKR1109 LEPIISKNPK1119 GTWKDWAQTA1129 FDESINLSAV1139 GYFRGYESDM 1149 NWEKGEGQPF1159 EYFVYGAACS1169 EVEIDCLTGD1179 HKNIRTDIVM1189 DVGCSINPAI 1199 DIGQIEGAFI1209 QGMGLYTIEE1219 LNYSPQGILH1229 THGPDQYKIP1239 AICDMPTELH 1249 IALLPPSQNS1259 NTLYSSKGLG1269 ESGVFLGCSV1279 FFAIHDAVSA1289 ARQERGLHLT 1301 LNSPLTPEKI1311 RMACEDKFTK1321 MIPRDEPGSY1331 VPWNV
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GLY450
4.842
GLU451
3.416
GLY452
3.076
ASP453
3.330
GLY454
3.255
HIS484
3.408
TRP485
4.241
ASN486
2.885
ASP538
3.751
HIS541
3.336
TYR542
3.143
PHE653
3.688
CYS654
4.557
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Flavin-Adenine Dinucleotide | Ligand Info | |||||
| Structure Description | Human aldehyde oxidase | PDB:4UHW | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [2] |
| PDB Sequence |
ASELLFYVNG
13 RKVIEKNVDP23 ETMLLPYLRK33 KLRLTGTKYG43 CGGGGCGACT53 VMISRYNPIT 63 KRIRHHPANA73 CLIPICSLYG83 AAVTTVEGIG93 STHTRIHPVQ103 ERIAKCHGTQ 113 CGFCTPGMVM123 SIYTLLRNHP133 EPTLDQLTDA143 LGGNLCRCTG153 YRPIIDACKT 163 FCKTPKLFAE204 EEFLPLDPTQ214 ELIFPPELMI224 MAEKQSQRTR234 VFGSERMMWF 244 SPVTLKELLE254 FKFKYPQAPV264 IMGNTSVGPE274 VKFKGVFHPV284 IISPDRIEEL 294 SVVNHAYNGL304 TLGAGLSLAQ314 VKDILADVVQ324 KLPEEKTQMY334 HALLKHLGTL 344 AGSQIRNMAS354 LGGHIISRHP364 DSDLNPILAV374 GNCTLNLLSK384 EGKRQIPLNE 394 QFLSKCPNAD404 LKPQEILVSV414 NIPYSRKWEF424 VSAFRQAQRQ434 ENALAIVNSG 444 MRVFFGEGDG454 IIRELCISYG464 GVGPATICAK474 NSCQKLIGRH484 WNEQMLDIAC 494 RLILNEVSLL504 GSAPGGKVEF514 KRTLIISFLF524 KFYLEVSQIL534 KKMDPVHYPS 544 LADKYESALE554 DLHSHHCSTL565 KYQNPKQHPE577 DPIGHPIMHL587 SGVKHATGEA 597 IYCDDMPLVD607 QELFLTFVTS617 SRAHAKIVSI627 DLSEALSMPG637 VVDIMTAEHL 647 SDVNSFCKFL663 ATDKVFCVGQ673 LVCAVLADSE683 VQAKRAAKRV693 KIVYQDLEPL 703 ILTIEESIQS716 FKPERKLEYG726 NVDEAFKVVD736 QILEGEIHMG746 GQEHFYMETQ 756 SMLVVPKGED766 QEMDVYVSTQ776 FPKYIQDIVA786 STLKLPANKV796 MCHVRRVGGA 806 FGGKVLKTGI816 IAAVTAFAAN826 KHGRAVRCVL836 ERGEDMLITG846 GRHPYLGKYK 856 AGFMNDGRIL866 ALDMEHYSNA876 GASLSLFVIE888 MGLLKMDNAY898 KFPNLRCRGW 908 ACRTNLPSNT918 AFRGFGFPQA928 ALITESCITE938 VAAKCGLSPE948 KVRIINMYKE 958 IDQTPYKQEI968 NAKNLIQCWR978 ECMAMSSYSL988 RKVAVEKFNA998 ENYWKKKGLA 1008 MVPLKFPVGL1018 GSRAAGQAAA1028 LVHIYLDGSV1038 LVTHGGIEMG1048 QGVHTKMIQV 1058 VSRELRMPMS1068 NVHLRGTSTE1078 TVPNANISGG1088 SVVADLNGLA1098 VKDACQTLLK 1108 RLEPIISKNP1118 KGTWKDWAQT1128 AFDESINLSA1138 VGYFRGYESD1148 MNWEKGEGQP 1158 FEYFVYGAAC1168 SEVEIDCLTG1178 DHKNIRTDIV1188 MDVGCSINPA1198 IDIGQIEGAF 1208 IQGMGLYTIE1218 ELNYSPQGIL1228 HTRGPDQYKI1238 PAICDMPTEL1248 HIALLPPSQN 1258 SNTLYSSKGL1268 GESGVFLGCS1278 VFFAIHDAVS1288 AARQERGLHG1298 PLTLNSPLTP 1308 EKIRMACEDK1318 FTKMIPRDEP1328 GSYVPWNV
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GLY46
3.355
GLY47
3.557
GLY48
3.867
LEU75
4.282
ALA262
4.918
PRO263
3.341
VAL264
2.846
ILE265
3.730
MET266
2.880
GLY267
2.921
ASN268
3.074
THR269
2.682
SER270
2.901
VAL271
2.940
GLY272
4.819
PRO273
4.201
LEU294
4.761
ALA308
4.179
LEU312
3.952
THR343
4.443
LEU344
3.436
ALA345
3.151
ILE349
3.840
MET352
4.433
ALA353
3.521
SER354
2.963
GLY356
3.967
GLY357
3.511
HIS358
3.280
ILE360
3.694
SER361
3.652
HIS363
3.500
ASP365
4.146
SER366
3.474
ASP367
2.766
LEU368
4.586
LEU405
4.173
GLU409
4.618
ILE410
3.696
LEU411
3.006
ARG429
3.924
ASN436
4.520
ALA437
3.813
LEU438
3.453
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 2,5,8,11,14,17-Hexaoxaoctadecane | Ligand Info | |||||
| Structure Description | Human Aldehyde Oxidase SNP R1231H in complex with Raloxifene | PDB:7OPN | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [1] |
| PDB Sequence |
ASELLFYVNG
13 RKVIEKNVDP23 ETMLLPYLRK33 KLRLTGTKYG43 CGGGGCGACT53 VMISRYNPIT 63 KRIRHHPANA73 CLIPICSLYG83 AAVTTVEGIG93 STHTRIHPVQ103 ERIAKCHGTQ 113 CGFCTPGMVM123 SIYTLLRNHP133 EPTLDQLTDA143 LGGNLCRCTG153 YRPIIDACKT 163 FCKPKLFAEE205 EFLPLDPTQE215 LIFPPELMIM225 AEKQSQRTRV235 FGSERMMWFS 245 PVTLKELLEF255 KFKYPQAPVI265 MGNTSVGPEV275 KFKGVFHPVI285 ISPDRIEELS 295 VVNHAYNGLT305 LGAGLSLAQV315 KDILADVVQK325 LPEEKTQMYH335 ALLKHLGTLA 345 GSQIRNMASL355 GGHIISRHPD365 SDLNPILAVG375 NCTLNLLSKE385 GKRQIPLNEQ 395 FLSKCPNADL405 KPQEILVSVN415 IPYSRKWEFV425 SAFRQAQRQE435 NALAIVNSGM 445 RVFFGEGDGI455 IRELCISYGG465 VGPATICAKN475 SCQKLIGRHW485 NEQMLDIACR 495 LILNEVSLLG505 SAPGGKVEFK515 RTLIISFLFK525 FYLEVSQILK535 KMDPVHYPSL 545 ADKYESALED555 LHSKHHCSTL565 KYQNQHPEDP579 IGHPIMHLSG589 VKHATGEAIY 599 CDDMPLVDQE609 LFLTFVTSSR619 AHAKIVSIDL629 SEALSMPGVV639 DIMTAEHLSD 649 VNSFCFFTEA659 EKFLATDKVF669 CVGQLVCAVL679 ADSEVQAKRA689 AKRVKIVYQD 699 LEPLILTIEE709 SIQHNSSFKP719 ERKLEYGNVD729 EAFKVVDQIL739 EGEIHMGGQE 749 HFYMETQSML759 VVPKGEDQEM769 DVYVSTQFPK779 YIQDIVASTL789 KLPANKVMCH 799 VRRVGGAFGG809 KVLKTGIIAA819 VTAFAANKHG829 RAVRCVLERG839 EDMLITGGRH 849 PYLGKYKAGF859 MNDGRILALD869 MEHYSNAGAS879 LDESLFVIEM889 GLLKMDNAYK 899 FPNLRCRGWA909 CRTNLPSNTA919 FRGFGFPQAA929 LITESCITEV939 AAKCGLSPEK 949 VRIINMYKEI959 DQTPYKQEIN969 AKNLIQCWRE979 CMAMSSYSLR989 KVAVEKFNAE 999 NYWKKKGLAM1009 VPLKFPVGLG1019 SRAAGQAAAL1029 VHIYLDGSVL1039 VTHGGIEMGQ 1049 GVHTKMIQVV1059 SRELRMPMSN1069 VHLRGTSTET1079 VPNANISGGS1089 VVADLNGLAV 1099 KDACQTLLKR1109 LEPIISKNPK1119 GTWKDWAQTA1129 FDESINLSAV1139 GYFRGYESDM 1149 NWEKGEGQPF1159 EYFVYGAACS1169 EVEIDCLTGD1179 HKNIRTDIVM1189 DVGCSINPAI 1199 DIGQIEGAFI1209 QGMGLYTIEE1219 LNYSPQGILH1229 THGPDQYKIP1239 AICDMPTELH 1249 IALLPPSQNS1259 NTLYSSKGLG1269 ESGVFLGCSV1279 FFAIHDAVSA1289 ARQERGLHLT 1301 LNSPLTPEKI1311 RMACEDKFTK1321 MIPRDEPGSY1331 VPWNV
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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 .PG6 or .PG62 or .PG63 or :3PG6;style chemicals stick;color identity;select .A:799 or .A:800 or .A:801 or .A:1073 or .A:1074 or .A:1075 or .A:1076 or .A:1078 or .A:1079; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Molybdopterin | Ligand Info | |||||
| Structure Description | Human aldehyde oxidase | PDB:4UHW | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [2] |
| PDB Sequence |
ASELLFYVNG
13 RKVIEKNVDP23 ETMLLPYLRK33 KLRLTGTKYG43 CGGGGCGACT53 VMISRYNPIT 63 KRIRHHPANA73 CLIPICSLYG83 AAVTTVEGIG93 STHTRIHPVQ103 ERIAKCHGTQ 113 CGFCTPGMVM123 SIYTLLRNHP133 EPTLDQLTDA143 LGGNLCRCTG153 YRPIIDACKT 163 FCKTPKLFAE204 EEFLPLDPTQ214 ELIFPPELMI224 MAEKQSQRTR234 VFGSERMMWF 244 SPVTLKELLE254 FKFKYPQAPV264 IMGNTSVGPE274 VKFKGVFHPV284 IISPDRIEEL 294 SVVNHAYNGL304 TLGAGLSLAQ314 VKDILADVVQ324 KLPEEKTQMY334 HALLKHLGTL 344 AGSQIRNMAS354 LGGHIISRHP364 DSDLNPILAV374 GNCTLNLLSK384 EGKRQIPLNE 394 QFLSKCPNAD404 LKPQEILVSV414 NIPYSRKWEF424 VSAFRQAQRQ434 ENALAIVNSG 444 MRVFFGEGDG454 IIRELCISYG464 GVGPATICAK474 NSCQKLIGRH484 WNEQMLDIAC 494 RLILNEVSLL504 GSAPGGKVEF514 KRTLIISFLF524 KFYLEVSQIL534 KKMDPVHYPS 544 LADKYESALE554 DLHSHHCSTL565 KYQNPKQHPE577 DPIGHPIMHL587 SGVKHATGEA 597 IYCDDMPLVD607 QELFLTFVTS617 SRAHAKIVSI627 DLSEALSMPG637 VVDIMTAEHL 647 SDVNSFCKFL663 ATDKVFCVGQ673 LVCAVLADSE683 VQAKRAAKRV693 KIVYQDLEPL 703 ILTIEESIQS716 FKPERKLEYG726 NVDEAFKVVD736 QILEGEIHMG746 GQEHFYMETQ 756 SMLVVPKGED766 QEMDVYVSTQ776 FPKYIQDIVA786 STLKLPANKV796 MCHVRRVGGA 806 FGGKVLKTGI816 IAAVTAFAAN826 KHGRAVRCVL836 ERGEDMLITG846 GRHPYLGKYK 856 AGFMNDGRIL866 ALDMEHYSNA876 GASLSLFVIE888 MGLLKMDNAY898 KFPNLRCRGW 908 ACRTNLPSNT918 AFRGFGFPQA928 ALITESCITE938 VAAKCGLSPE948 KVRIINMYKE 958 IDQTPYKQEI968 NAKNLIQCWR978 ECMAMSSYSL988 RKVAVEKFNA998 ENYWKKKGLA 1008 MVPLKFPVGL1018 GSRAAGQAAA1028 LVHIYLDGSV1038 LVTHGGIEMG1048 QGVHTKMIQV 1058 VSRELRMPMS1068 NVHLRGTSTE1078 TVPNANISGG1088 SVVADLNGLA1098 VKDACQTLLK 1108 RLEPIISKNP1118 KGTWKDWAQT1128 AFDESINLSA1138 VGYFRGYESD1148 MNWEKGEGQP 1158 FEYFVYGAAC1168 SEVEIDCLTG1178 DHKNIRTDIV1188 MDVGCSINPA1198 IDIGQIEGAF 1208 IQGMGLYTIE1218 ELNYSPQGIL1228 HTRGPDQYKI1238 PAICDMPTEL1248 HIALLPPSQN 1258 SNTLYSSKGL1268 GESGVFLGCS1278 VFFAIHDAVS1288 AARQERGLHG1298 PLTLNSPLTP 1308 EKIRMACEDK1318 FTKMIPRDEP1328 GSYVPWNV
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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 .MTE or .MTE2 or .MTE3 or :3MTE;style chemicals stick;color identity;select .A:113 or .A:114 or .A:151 or .A:805 or .A:806 or .A:807 or .A:808 or .A:920 or .A:921 or .A:1047 or .A:1048 or .A:1049 or .A:1051 or .A:1086 or .A:1087 or .A:1088 or .A:1089 or .A:1090 or .A:1091 or .A:1092 or .A:1203 or .A:1268 or .A:1269 or .A:1270; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLN113
3.263
CYS114
4.131
CYS151
3.244
GLY805
3.692
ALA806
2.820
PHE807
3.073
GLY808
4.055
PHE920
4.743
ARG921
3.469
MET1047
2.875
GLY1048
3.373
GLN1049
3.369
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 10-{2-[(2r)-1-Methylpiperidin-2-Yl]ethyl}-2-(Methylsulfanyl)-10h-Phenothiazine | Ligand Info | |||||
| Structure Description | Human aldehyde oxidase in complex with phthalazine and thioridazine | PDB:4UHX | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [2] |
| PDB Sequence |
ASELLFYVNG
13 RKVIEKNVDP23 ETMLLPYLRK33 KLRLTGTKYG43 CGGGGCGACT53 VMISRYNPIT 63 KRIRHHPANA73 CLIPICSLYG83 AAVTTVEGIG93 STHTRIHPVQ103 ERIAKCHGTQ 113 CGFCTPGMVM123 SIYTLLRNHP133 EPTLDQLTDA143 LGGNLCRCTG153 YRPIIDACKT 163 FCKTPKLFAE204 EEFLPLDPTQ214 ELIFPPELMI224 MAEKQSQRTR234 VFGSERMMWF 244 SPVTLKELLE254 FKFKYPQAPV264 IMGNTSVGPE274 VKFKGVFHPV284 IISPDRIEEL 294 SVVNHAYNGL304 TLGAGLSLAQ314 VKDILADVVQ324 KLPEEKTQMY334 HALLKHLGTL 344 AGSQIRNMAS354 LGGHIISRHP364 DSDLNPILAV374 GNCTLNLLSK384 EGKRQIPLNE 394 QFLSKCPNAD404 LKPQEILVSV414 NIPYSRKWEF424 VSAFRQAQRQ434 ENALAIVNSG 444 MRVFFGEGDG454 IIRELCISYG464 GVGPATICAK474 NSCQKLIGRH484 WNEQMLDIAC 494 RLILNEVSLL504 GSAPGGKVEF514 KRTLIISFLF524 KFYLEVSQIL534 KKMDPVHYPS 544 LADKYESALE554 DLHSHHCSTL565 KYQNIGPKQH575 PEDPIGHPIM585 HLSGVKHATG 595 EAIYCDDMPL605 VDQELFLTFV615 TSSRAHAKIV625 SIDLSEALSM635 PGVVDIMTAE 645 HLSDVNSFCK661 FLATDKVFCV671 GQLVCAVLAD681 SEVQAKRAAK691 RVKIVYQDLE 701 PLILTIEESI711 QSFKPERKLE724 YGNVDEAFKV734 VDQILEGEIH744 MGGQEHFYME 754 TQSMLVVPKG764 EDQEMDVYVS774 TQFPKYIQDI784 VASTLKLPAN794 KVMCHVRRVG 804 GAFGGKVLKT814 GIIAAVTAFA824 ANKHGRAVRC834 VLERGEDMLI844 TGGRHPYLGK 854 YKAGFMNDGR864 ILALDMEHYS874 NAGASLSLFV886 IEMGLLKMDN896 AYKFPNLRCR 906 GWACRTNLPS916 NTAFRGFGFP926 QAALITESCI936 TEVAAKCGLS946 PEKVRIINMY 956 KEIDQTPYKQ966 EINAKNLIQC976 WRECMAMSSY986 SLRKVAVEKF996 NAENYWKKKG 1006 LAMVPLKFPV1016 GLGSRAAGQA1026 AALVHIYLDG1036 SVLVTHGGIE1046 MGQGVHTKMI 1056 QVVSRELRMP1066 MSNVHLRGTS1076 TETVPNANIS1086 GGSVVADLNG1096 LAVKDACQTL 1106 LKRLEPIISK1116 NPKGTWKDWA1126 QTAFDESINL1136 SAVGYFRGYE1146 SDMNWEKGEG 1156 QPFEYFVYGA1166 ACSEVEIDCL1176 TGDHKNIRTD1186 IVMDVGCSIN1196 PAIDIGQIEG 1206 AFIQGMGLYT1216 IEELNYSPQG1226 ILHTRGPDQY1236 KIPAICDMPT1246 ELHIALLPPS 1256 QNSNTLYSSK1266 GLGESGVFLG1276 CSVFFAIHDA1286 VSAARQERGL1296 HGPLTLNSPL 1306 TPEKIRMACE1316 DKFTKMIPRD1326 EPGSYVPWNV1336
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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:575 or .A:577 or .A:578 or .A:579 or .A:1060 or .A:1061 or .A:1064 or .A:1065 or .A:1066 or .A:1120 or .A:1121 or .A:1122 or .A:1125; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: 10-{2-[(2s)-1-Methylpiperidin-2-Yl]ethyl}-2-(Methylsulfanyl)-10h-Phenothiazine | Ligand Info | |||||
| Structure Description | Human aldehyde oxidase in complex with phthalazine and thioridazine | PDB:4UHX | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [2] |
| PDB Sequence |
ASELLFYVNG
13 RKVIEKNVDP23 ETMLLPYLRK33 KLRLTGTKYG43 CGGGGCGACT53 VMISRYNPIT 63 KRIRHHPANA73 CLIPICSLYG83 AAVTTVEGIG93 STHTRIHPVQ103 ERIAKCHGTQ 113 CGFCTPGMVM123 SIYTLLRNHP133 EPTLDQLTDA143 LGGNLCRCTG153 YRPIIDACKT 163 FCKTPKLFAE204 EEFLPLDPTQ214 ELIFPPELMI224 MAEKQSQRTR234 VFGSERMMWF 244 SPVTLKELLE254 FKFKYPQAPV264 IMGNTSVGPE274 VKFKGVFHPV284 IISPDRIEEL 294 SVVNHAYNGL304 TLGAGLSLAQ314 VKDILADVVQ324 KLPEEKTQMY334 HALLKHLGTL 344 AGSQIRNMAS354 LGGHIISRHP364 DSDLNPILAV374 GNCTLNLLSK384 EGKRQIPLNE 394 QFLSKCPNAD404 LKPQEILVSV414 NIPYSRKWEF424 VSAFRQAQRQ434 ENALAIVNSG 444 MRVFFGEGDG454 IIRELCISYG464 GVGPATICAK474 NSCQKLIGRH484 WNEQMLDIAC 494 RLILNEVSLL504 GSAPGGKVEF514 KRTLIISFLF524 KFYLEVSQIL534 KKMDPVHYPS 544 LADKYESALE554 DLHSHHCSTL565 KYQNIGPKQH575 PEDPIGHPIM585 HLSGVKHATG 595 EAIYCDDMPL605 VDQELFLTFV615 TSSRAHAKIV625 SIDLSEALSM635 PGVVDIMTAE 645 HLSDVNSFCK661 FLATDKVFCV671 GQLVCAVLAD681 SEVQAKRAAK691 RVKIVYQDLE 701 PLILTIEESI711 QSFKPERKLE724 YGNVDEAFKV734 VDQILEGEIH744 MGGQEHFYME 754 TQSMLVVPKG764 EDQEMDVYVS774 TQFPKYIQDI784 VASTLKLPAN794 KVMCHVRRVG 804 GAFGGKVLKT814 GIIAAVTAFA824 ANKHGRAVRC834 VLERGEDMLI844 TGGRHPYLGK 854 YKAGFMNDGR864 ILALDMEHYS874 NAGASLSLFV886 IEMGLLKMDN896 AYKFPNLRCR 906 GWACRTNLPS916 NTAFRGFGFP926 QAALITESCI936 TEVAAKCGLS946 PEKVRIINMY 956 KEIDQTPYKQ966 EINAKNLIQC976 WRECMAMSSY986 SLRKVAVEKF996 NAENYWKKKG 1006 LAMVPLKFPV1016 GLGSRAAGQA1026 AALVHIYLDG1036 SVLVTHGGIE1046 MGQGVHTKMI 1056 QVVSRELRMP1066 MSNVHLRGTS1076 TETVPNANIS1086 GGSVVADLNG1096 LAVKDACQTL 1106 LKRLEPIISK1116 NPKGTWKDWA1126 QTAFDESINL1136 SAVGYFRGYE1146 SDMNWEKGEG 1156 QPFEYFVYGA1166 ACSEVEIDCL1176 TGDHKNIRTD1186 IVMDVGCSIN1196 PAIDIGQIEG 1206 AFIQGMGLYT1216 IEELNYSPQG1226 ILHTRGPDQY1236 KIPAICDMPT1246 ELHIALLPPS 1256 QNSNTLYSSK1266 GLGESGVFLG1276 CSVFFAIHDA1286 VSAARQERGL1296 HGPLTLNSPL 1306 TPEKIRMACE1316 DKFTKMIPRD1326 EPGSYVPWNV1336
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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 .LZU or .LZU2 or .LZU3 or :3LZU;style chemicals stick;color identity;select .A:575 or .A:577 or .A:578 or .A:579 or .A:1060 or .A:1061 or .A:1064 or .A:1065 or .A:1066 or .A:1120 or .A:1122 or .A:1125; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: Phthalazine | Ligand Info | |||||
| Structure Description | Human aldehyde oxidase in complex with phthalazine and thioridazine | PDB:4UHX | ||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [2] |
| PDB Sequence |
ASELLFYVNG
13 RKVIEKNVDP23 ETMLLPYLRK33 KLRLTGTKYG43 CGGGGCGACT53 VMISRYNPIT 63 KRIRHHPANA73 CLIPICSLYG83 AAVTTVEGIG93 STHTRIHPVQ103 ERIAKCHGTQ 113 CGFCTPGMVM123 SIYTLLRNHP133 EPTLDQLTDA143 LGGNLCRCTG153 YRPIIDACKT 163 FCKTPKLFAE204 EEFLPLDPTQ214 ELIFPPELMI224 MAEKQSQRTR234 VFGSERMMWF 244 SPVTLKELLE254 FKFKYPQAPV264 IMGNTSVGPE274 VKFKGVFHPV284 IISPDRIEEL 294 SVVNHAYNGL304 TLGAGLSLAQ314 VKDILADVVQ324 KLPEEKTQMY334 HALLKHLGTL 344 AGSQIRNMAS354 LGGHIISRHP364 DSDLNPILAV374 GNCTLNLLSK384 EGKRQIPLNE 394 QFLSKCPNAD404 LKPQEILVSV414 NIPYSRKWEF424 VSAFRQAQRQ434 ENALAIVNSG 444 MRVFFGEGDG454 IIRELCISYG464 GVGPATICAK474 NSCQKLIGRH484 WNEQMLDIAC 494 RLILNEVSLL504 GSAPGGKVEF514 KRTLIISFLF524 KFYLEVSQIL534 KKMDPVHYPS 544 LADKYESALE554 DLHSHHCSTL565 KYQNIGPKQH575 PEDPIGHPIM585 HLSGVKHATG 595 EAIYCDDMPL605 VDQELFLTFV615 TSSRAHAKIV625 SIDLSEALSM635 PGVVDIMTAE 645 HLSDVNSFCK661 FLATDKVFCV671 GQLVCAVLAD681 SEVQAKRAAK691 RVKIVYQDLE 701 PLILTIEESI711 QSFKPERKLE724 YGNVDEAFKV734 VDQILEGEIH744 MGGQEHFYME 754 TQSMLVVPKG764 EDQEMDVYVS774 TQFPKYIQDI784 VASTLKLPAN794 KVMCHVRRVG 804 GAFGGKVLKT814 GIIAAVTAFA824 ANKHGRAVRC834 VLERGEDMLI844 TGGRHPYLGK 854 YKAGFMNDGR864 ILALDMEHYS874 NAGASLSLFV886 IEMGLLKMDN896 AYKFPNLRCR 906 GWACRTNLPS916 NTAFRGFGFP926 QAALITESCI936 TEVAAKCGLS946 PEKVRIINMY 956 KEIDQTPYKQ966 EINAKNLIQC976 WRECMAMSSY986 SLRKVAVEKF996 NAENYWKKKG 1006 LAMVPLKFPV1016 GLGSRAAGQA1026 AALVHIYLDG1036 SVLVTHGGIE1046 MGQGVHTKMI 1056 QVVSRELRMP1066 MSNVHLRGTS1076 TETVPNANIS1086 GGSVVADLNG1096 LAVKDACQTL 1106 LKRLEPIISK1116 NPKGTWKDWA1126 QTAFDESINL1136 SAVGYFRGYE1146 SDMNWEKGEG 1156 QPFEYFVYGA1166 ACSEVEIDCL1176 TGDHKNIRTD1186 IVMDVGCSIN1196 PAIDIGQIEG 1206 AFIQGMGLYT1216 IEELNYSPQG1226 ILHTRGPDQY1236 KIPAICDMPT1246 ELHIALLPPS 1256 QNSNTLYSSK1266 GLGESGVFLG1276 CSVFFAIHDA1286 VSAARQERGL1296 HGPLTLNSPL 1306 TPEKIRMACE1316 DKFTKMIPRD1326 EPGSYVPWNV1336
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Click to Show 3D Structure of This Binding Site
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Interrogating the Inhibition Mechanisms of Human Aldehyde Oxidase by X-ray Crystallography and NMR Spectroscopy: The Raloxifene Case. J Med Chem. 2021 Sep 9;64(17):13025-13037. | ||||
| REF 2 | Structural insights into xenobiotic and inhibitor binding to human aldehyde oxidase. Nat Chem Biol. 2015 Oct;11(10):779-83. | ||||
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