Target Binding Site Detail
| 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 | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Flavin-Adenine Dinucleotide | Ligand Info | |||
| Canonical SMILES | CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C(N=CN=C65)N)O)O)O)O)O | ||||
| InChI | 1S/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16+,19-,20+,21+,26+/m0/s1 | ||||
| InChIKey | VWWQXMAJTJZDQX-UYBVJOGSSA-N | ||||
| PubChem Compound ID | 643975 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4UHW Human aldehyde oxidase | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | No | [1] |
| 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
|
|||||
|
|
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
|
|||||
| PDB ID: 7OPN Human Aldehyde Oxidase SNP R1231H in complex with Raloxifene | ||||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [2] |
| 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
|
|||||
|
|
GLY46
3.427
GLY47
3.343
GLY48
4.001
LEU75
4.392
LYS256
4.957
PRO263
3.427
VAL264
2.646
ILE265
3.628
MET266
2.788
GLY267
3.114
ASN268
3.139
THR269
2.334
SER270
2.965
VAL271
2.965
GLY272
4.768
PRO273
4.236
LEU294
4.784
ALA308
4.006
LEU312
3.984
THR343
4.430
LEU344
3.408
ALA345
3.414
ILE349
3.957
MET352
4.316
ALA353
3.477
SER354
2.892
GLY356
4.130
GLY357
3.423
HIS358
3.050
ILE360
3.721
SER361
4.097
HIS363
3.388
ASP365
3.965
SER366
3.399
ASP367
2.859
LEU368
4.603
LEU405
4.266
GLU409
4.566
ILE410
3.702
LEU411
3.009
ARG429
4.145
ASN436
4.730
ALA437
4.070
LEU438
3.420
|
|||||
| PDB ID: 4UHX Human aldehyde oxidase in complex with phthalazine and thioridazine | ||||||
| Method | X-ray diffraction | Resolution | 2.70 Å | Mutation | No | [1] |
| 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
|
|||||
|
|
GLY46
3.186
GLY47
3.531
GLY48
3.890
LEU75
4.207
ALA262
4.802
PRO263
3.314
VAL264
2.809
ILE265
3.668
MET266
2.818
GLY267
3.025
ASN268
3.148
THR269
2.599
SER270
3.118
VAL271
3.100
GLY272
4.937
PRO273
4.193
LEU294
4.967
ALA308
3.958
LEU312
4.040
THR343
4.206
LEU344
3.455
ALA345
3.234
ILE349
3.714
MET352
4.480
ALA353
3.534
SER354
2.844
GLY356
4.130
GLY357
3.523
HIS358
3.270
ILE360
3.528
SER361
4.022
HIS363
3.475
ASP365
3.862
SER366
3.513
ASP367
2.903
LEU368
4.634
LEU405
4.393
GLU409
4.756
ILE410
3.717
LEU411
3.105
ARG429
3.903
ASN436
4.783
ALA437
3.973
LEU438
3.334
|
|||||
| PDB ID: 7ORC Human Aldehyde Oxidase in complex with Raloxifene | ||||||
| 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 FCKLFAEEEF207 LPLDPTQELI217 FPPELMIMAE227 KQSQRTRVFG237 SERMMWFSPV 247 TLKELLEFKF257 KYPQAPVIMG267 NTSVGPEVKF277 KGVFHPVIIS287 PDRIEELSVV 297 NHAYNGLTLG307 AGLSLAQVKD317 ILADVVQKLP327 EEKTQMYHAL337 LKHLGTLAGS 347 QIRNMASLGG357 HIISRHPDSD367 LNPILAVGNC377 TLNLLSKEGK387 RQIPLNEQFL 397 SKCPNADLKP407 QEILVSVNIP417 YSRKWEFVSA427 FRQAQRQENA437 LAIVNSGMRV 447 FFGEGDGIIR457 ELCISYGGVG467 PATICAKNSC477 QKLIGRHWNE487 QMLDIACRLI 497 LNEVSLLGSA507 PGGKVEFKRT517 LIISFLFKFY527 LEVSQILKKM537 DPVHYPSLAD 547 KYESALEDLH557 SKHHCSTLKY567 QNPKQHPEDP579 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 TRGPDQYKIP1239 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 .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:46 or .A:47 or .A:48 or .A:75 or .A:263 or .A:264 or .A:265 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:272 or .A:273 or .A:294 or .A:308 or .A:312 or .A:343 or .A:344 or .A:345 or .A:349 or .A:352 or .A:353 or .A:354 or .A:356 or .A:357 or .A:358 or .A:360 or .A:361 or .A:363 or .A:365 or .A:366 or .A:367 or .A:368 or .A:405 or .A:409 or .A:410 or .A:411 or .A:429 or .A:436 or .A:437 or .A:438; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY46
3.372
GLY47
3.287
GLY48
3.940
LEU75
4.417
PRO263
3.495
VAL264
2.691
ILE265
3.674
MET266
2.751
GLY267
3.062
ASN268
3.167
THR269
2.418
SER270
3.050
VAL271
2.962
GLY272
4.712
PRO273
4.303
LEU294
4.549
ALA308
4.065
LEU312
4.023
THR343
4.260
LEU344
3.359
ALA345
3.425
ILE349
3.955
|
|||||
| PDB ID: 6Q6Q Human aldehyde oxidase SNP G1269R | ||||||
| Method | X-ray diffraction | Resolution | 3.10 Å | Mutation | Yes | [3] |
| 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 SDVNSFCFFT657 EAEKFLATDK667 VFCVGQLVCA677 VLADSEVQAK687 RAAKRVKIVY 697 QDLEPLILTI707 EESIQHSFKP719 ERKLEYGNVD729 EAFKVVDQIL739 EGEIHMGGQE 749 HFYMETQSML759 VVPKGEDQEM769 DVYVSTQFPK779 YIQDIVASTL789 KLPANKVMCH 799 VRRVGGAFGG809 KVLKTGIIAA819 VTAFAANKHG829 RAVRCVLERG839 EDMLITGGRH 849 PYLGKYKAGF859 MNDGRILALD869 MEHYSNAGAS879 LSLFVIEMGL891 LKMDNAYKFP 901 NLRCRGWACR911 TNLPSNTAFR921 GFGFPQAALI931 TESCITEVAA941 KCGLSPEKVR 951 IINMYKEIDQ961 TPYKQEINAK971 NLIQCWRECM981 AMSSYSLRKV991 AVEKFNAENY 1001 WKKKGLAMVP1011 LKFPVGLGSR1021 AAGQAAALVH1031 IYLDGSVLVT1041 HGGIEMGQGV 1051 HTKMIQVVSR1061 ELRMPMSNVH1071 LRGTSTETVP1081 NANISGGSVV1091 ADLNGLAVKD 1101 ACQTLLKRLE1111 PIISKNPKGT1121 WKDWAQTAFD1131 ESINLSAVGY1141 FRGYESDMNW 1151 EKGEGQPFEY1161 FVYGAACSEV1171 EIDCLTGDHK1181 NIRTDIVMDV1191 GCSINPAIDI 1201 GQIEGAFIQG1211 MGLYTIEELN1221 YSPQGILHTR1231 GPDQYKIPAI1241 CDMPTELHIA 1251 LLPPSNTLYS1264 SKGLRESGVF1274 LGCSVFFAIH1284 DAVSAARQER1294 GLHGPLTLNS 1304 PLTPEKIRMA1314 CEDKFTKMIP1324 RDEPGSYVPW1334 NV
|
|||||
|
Click to Show 3D Structure of This Binding Site
set background white;style ions nothing; color 8e8e8e;style chemicals nothing; select .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:46 or .A:47 or .A:48 or .A:75 or .A:263 or .A:264 or .A:265 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:272 or .A:273 or .A:294 or .A:308 or .A:312 or .A:343 or .A:344 or .A:345 or .A:349 or .A:352 or .A:353 or .A:354 or .A:356 or .A:357 or .A:358 or .A:360 or .A:361 or .A:363 or .A:365 or .A:366 or .A:367 or .A:368 or .A:405 or .A:410 or .A:411 or .A:429 or .A:436 or .A:437 or .A:438; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
|
GLY46
3.317
GLY47
3.245
GLY48
3.711
LEU75
4.143
PRO263
3.350
VAL264
2.603
ILE265
3.700
MET266
2.782
GLY267
2.979
ASN268
3.193
THR269
2.418
SER270
2.917
VAL271
3.259
GLY272
4.880
PRO273
4.141
LEU294
4.663
ALA308
3.906
LEU312
3.835
THR343
4.310
LEU344
3.182
ALA345
3.371
|
|||||
| PDB ID: 5EPG Human aldehyde oxidase SNP S1271L | ||||||
| Method | X-ray diffraction | Resolution | 3.39 Å | Mutation | Yes | [4] |
| 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 GELGVFLGCS1278 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 .FAD or .FAD2 or .FAD3 or :3FAD;style chemicals stick;color identity;select .A:46 or .A:47 or .A:48 or .A:75 or .A:262 or .A:263 or .A:264 or .A:265 or .A:266 or .A:267 or .A:268 or .A:269 or .A:270 or .A:271 or .A:272 or .A:273 or .A:294 or .A:308 or .A:312 or .A:343 or .A:344 or .A:345 or .A:349 or .A:352 or .A:353 or .A:354 or .A:356 or .A:357 or .A:358 or .A:360 or .A:361 or .A:363 or .A:365 or .A:366 or .A:367 or .A:368 or .A:405 or .A:409 or .A:410 or .A:411 or .A:429 or .A:436 or .A:437 or .A:438; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLY46
3.505
GLY47
3.764
GLY48
4.062
LEU75
4.461
ALA262
4.816
PRO263
3.110
VAL264
2.439
ILE265
3.875
MET266
2.916
GLY267
2.968
ASN268
3.084
THR269
2.727
SER270
2.687
VAL271
2.977
GLY272
4.851
PRO273
4.285
LEU294
4.507
ALA308
3.848
LEU312
3.940
THR343
4.557
LEU344
3.392
ALA345
3.385
ILE349
3.833
MET352
4.502
ALA353
3.602
SER354
3.014
GLY356
3.866
GLY357
3.411
HIS358
3.124
ILE360
3.861
SER361
3.722
HIS363
3.504
ASP365
3.997
SER366
3.218
ASP367
2.533
LEU368
4.387
LEU405
4.293
GLU409
4.823
ILE410
3.878
LEU411
3.025
ARG429
3.557
ASN436
4.924
ALA437
3.780
LEU438
3.197
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural insights into xenobiotic and inhibitor binding to human aldehyde oxidase. Nat Chem Biol. 2015 Oct;11(10):779-83. | ||||
| REF 2 | 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 3 | Human aldehyde oxidase (hAOX1): structure determination of the Moco-free form of the natural variant G1269R and biophysical studies of single nucleotide polymorphisms. FEBS Open Bio. 2019 May;9(5):925-934. | ||||
| REF 4 | Optimization of the Expression of Human Aldehyde Oxidase for Investigations of Single-Nucleotide Polymorphisms. Drug Metab Dispos. 2016 Aug;44(8):1277-85. | ||||
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