Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T40954 | Target Info | |||
| Target Name | Xanthine dehydrogenase/oxidase (XDH) | ||||
| Synonyms | Xanthine oxidase; Xanthine dehydrogenase; XDHA | ||||
| Target Type | Successful Target | ||||
| Gene Name | XDH | ||||
| Biochemical Class | CH/CH(2) oxidoreductase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Salicyclic acid | Ligand Info | |||||
| Structure Description | Crystal Structure of Human Xanthine Oxidoreductase mutant, Glu803Val | PDB:2E1Q | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [1] |
| PDB Sequence |
ADKLVFFVNG
12 RKVVEKNADP22 ETTLLAYLRR32 KLGLSGTKLG42 CGEGGCGACT52 VMLSKYDRLQ 62 NKIVHFSANA72 CLAPICSLHH82 VAVTTVEGIG92 STKTRLHPVQ102 ERIAKSHGSQ 112 CGFCTPGIVM122 SMYTLLRNQP132 EPTMEEIENA142 FQGNLCRCTG152 YRPILQGFRT 162 FARDGSPSLF196 KPEEFTPLDP206 TQEPIFPPEL216 LRLKDTPRKQ226 LRFEGERVTW 236 IQASTLKELL246 DLKAQHPDAK256 LVVGNTEIGI266 EMKFKNMLFP276 MIVCPAWIPE 286 LNSVEHGPDG296 ISFGAACPLS306 IVEKTLVDAV316 AKLPAQKTEV326 FRGVLEQLRW 336 FAGKQVKSVA346 SVGGNIITAS356 PISDLNPVFM366 ASGAKLTLVS376 RGTRRTVQMD 386 HTFFPGYRKT396 LLSPEEILLS406 IEIPYSREGE416 YFSAFKQASR426 REDDIAKVTS 436 GMRVLFKPGT446 TEVQELALCY456 GGMANRTISA466 LKTTQRQLSK476 LWKEELLQDV 486 CAGLAEELHL496 PPDAPGGMVD506 FRCTLTLSFF516 FKFYLTVLQK526 LGQENLEDKC 536 GKLDPTFASA546 TLLFQKDPPA556 DVQLFQEVPK566 GQSEEDMVGR576 PLPHLAADMQ 586 ASGEAVYCDD596 IPRYENELSL606 RLVTSTRAHA616 KIKSIDTSEA626 KKVPGFVCFI 636 SADDVPGSNI646 TGICNDETVF656 AKDKVTCVGH666 IIGAVVADTP676 EHTQRAAQGV 686 KITYEELPAI696 ITIEDAIKNN706 SFYGPELKIE716 KGDLKKGFSE726 ADNVVSGEIY 736 IGGQEHFYLE746 THCTIAVPKG756 EAGEMELFVS766 TQNTMKTQSF776 VAKMLGVPAN 786 RIVVRVKRMG796 GGFGGKVTRS806 TVVSTAVALA816 AYKTGRPVRC826 MLDRDEDMLI 836 TGGRHPFLAR846 YKVGFMKTGT856 VVALEVDHFS866 NVGNTQDLSQ876 SIMERALFHM 886 DNCYKIPNIR896 GTGRLCKTNL906 PSNTAFRGFG916 GPQGMLIAEC926 WMSEVAVTCG 936 MPAEEVRRKN946 LYKEGDLTHF956 NQKLEGFTLP966 RCWEECLASS976 QYHARKSEVD 986 KFNKENCWKK996 RGLCIIPTKF1006 GISFTVPFLN1016 QAGALLHVYT1026 DGSVLLTHGG 1036 TEMGQGLHTK1046 MVQVASRALK1056 IPTSKIYISE1066 TSTNTVPNTS1076 PTAASVSADL 1086 NGQAVYAACQ1096 TILKRLEPYK1106 KKNPSGSWED1116 WVTAAYMDTV1126 SLSATGFYRT 1136 PNLGYSFETN1146 SGNPFHYFSY1156 GVACSEVEID1166 CLTGDHKNLR1176 TDIVMDVGSS 1186 LNPAIDIGQV1196 EGAFVQGLGL1206 FTLEELHYSP1216 EGSLHTRGPS1226 TYKIPAFGSI 1236 PIEFRVSLLR1246 DCPNKKAIYA1256 SKAVGEPPLF1266 LAASIFFAIK1276 DAIRAARAQH 1286 TGNNVKELFR1296 LDSPATPEKI1306 RNACVDKFTT1316 LCVTGVPENC1326 KPWSVRV |
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| Ligand Name: Flavin-Adenine Dinucleotide | Ligand Info | |||||
| Structure Description | Crystal Structure of Human Xanthine Oxidoreductase mutant, Glu803Val | PDB:2E1Q | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [1] |
| PDB Sequence |
ADKLVFFVNG
12 RKVVEKNADP22 ETTLLAYLRR32 KLGLSGTKLG42 CGEGGCGACT52 VMLSKYDRLQ 62 NKIVHFSANA72 CLAPICSLHH82 VAVTTVEGIG92 STKTRLHPVQ102 ERIAKSHGSQ 112 CGFCTPGIVM122 SMYTLLRNQP132 EPTMEEIENA142 FQGNLCRCTG152 YRPILQGFRT 162 FARDGSPSLF196 KPEEFTPLDP206 TQEPIFPPEL216 LRLKDTPRKQ226 LRFEGERVTW 236 IQASTLKELL246 DLKAQHPDAK256 LVVGNTEIGI266 EMKFKNMLFP276 MIVCPAWIPE 286 LNSVEHGPDG296 ISFGAACPLS306 IVEKTLVDAV316 AKLPAQKTEV326 FRGVLEQLRW 336 FAGKQVKSVA346 SVGGNIITAS356 PISDLNPVFM366 ASGAKLTLVS376 RGTRRTVQMD 386 HTFFPGYRKT396 LLSPEEILLS406 IEIPYSREGE416 YFSAFKQASR426 REDDIAKVTS 436 GMRVLFKPGT446 TEVQELALCY456 GGMANRTISA466 LKTTQRQLSK476 LWKEELLQDV 486 CAGLAEELHL496 PPDAPGGMVD506 FRCTLTLSFF516 FKFYLTVLQK526 LGQENLEDKC 536 GKLDPTFASA546 TLLFQKDPPA556 DVQLFQEVPK566 GQSEEDMVGR576 PLPHLAADMQ 586 ASGEAVYCDD596 IPRYENELSL606 RLVTSTRAHA616 KIKSIDTSEA626 KKVPGFVCFI 636 SADDVPGSNI646 TGICNDETVF656 AKDKVTCVGH666 IIGAVVADTP676 EHTQRAAQGV 686 KITYEELPAI696 ITIEDAIKNN706 SFYGPELKIE716 KGDLKKGFSE726 ADNVVSGEIY 736 IGGQEHFYLE746 THCTIAVPKG756 EAGEMELFVS766 TQNTMKTQSF776 VAKMLGVPAN 786 RIVVRVKRMG796 GGFGGKVTRS806 TVVSTAVALA816 AYKTGRPVRC826 MLDRDEDMLI 836 TGGRHPFLAR846 YKVGFMKTGT856 VVALEVDHFS866 NVGNTQDLSQ876 SIMERALFHM 886 DNCYKIPNIR896 GTGRLCKTNL906 PSNTAFRGFG916 GPQGMLIAEC926 WMSEVAVTCG 936 MPAEEVRRKN946 LYKEGDLTHF956 NQKLEGFTLP966 RCWEECLASS976 QYHARKSEVD 986 KFNKENCWKK996 RGLCIIPTKF1006 GISFTVPFLN1016 QAGALLHVYT1026 DGSVLLTHGG 1036 TEMGQGLHTK1046 MVQVASRALK1056 IPTSKIYISE1066 TSTNTVPNTS1076 PTAASVSADL 1086 NGQAVYAACQ1096 TILKRLEPYK1106 KKNPSGSWED1116 WVTAAYMDTV1126 SLSATGFYRT 1136 PNLGYSFETN1146 SGNPFHYFSY1156 GVACSEVEID1166 CLTGDHKNLR1176 TDIVMDVGSS 1186 LNPAIDIGQV1196 EGAFVQGLGL1206 FTLEELHYSP1216 EGSLHTRGPS1226 TYKIPAFGSI 1236 PIEFRVSLLR1246 DCPNKKAIYA1256 SKAVGEPPLF1266 LAASIFFAIK1276 DAIRAARAQH 1286 TGNNVKELFR1296 LDSPATPEKI1306 RNACVDKFTT1316 LCVTGVPENC1326 KPWSVRV |
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GLU45
3.478
GLY46
2.959
GLY47
3.816
LEU74
3.733
LYS256
3.220
LEU257
2.805
VAL258
3.418
VAL259
2.673
GLY260
2.972
ASN261
2.844
THR262
2.557
GLU263
2.987
ILE264
2.940
GLY265
4.765
ILE266
4.232
GLU267
4.949
LEU287
4.456
ALA301
3.892
LEU305
4.148
TRP336
3.933
PHE337
3.199
ALA338
3.403
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: Hydroxy(Dioxo)molybdenum | Ligand Info | |||||
| Structure Description | Crystal Structure of Human Xanthine Oxidoreductase mutant, Glu803Val | PDB:2E1Q | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [1] |
| PDB Sequence |
ADKLVFFVNG
12 RKVVEKNADP22 ETTLLAYLRR32 KLGLSGTKLG42 CGEGGCGACT52 VMLSKYDRLQ 62 NKIVHFSANA72 CLAPICSLHH82 VAVTTVEGIG92 STKTRLHPVQ102 ERIAKSHGSQ 112 CGFCTPGIVM122 SMYTLLRNQP132 EPTMEEIENA142 FQGNLCRCTG152 YRPILQGFRT 162 FARDGSPSLF196 KPEEFTPLDP206 TQEPIFPPEL216 LRLKDTPRKQ226 LRFEGERVTW 236 IQASTLKELL246 DLKAQHPDAK256 LVVGNTEIGI266 EMKFKNMLFP276 MIVCPAWIPE 286 LNSVEHGPDG296 ISFGAACPLS306 IVEKTLVDAV316 AKLPAQKTEV326 FRGVLEQLRW 336 FAGKQVKSVA346 SVGGNIITAS356 PISDLNPVFM366 ASGAKLTLVS376 RGTRRTVQMD 386 HTFFPGYRKT396 LLSPEEILLS406 IEIPYSREGE416 YFSAFKQASR426 REDDIAKVTS 436 GMRVLFKPGT446 TEVQELALCY456 GGMANRTISA466 LKTTQRQLSK476 LWKEELLQDV 486 CAGLAEELHL496 PPDAPGGMVD506 FRCTLTLSFF516 FKFYLTVLQK526 LGQENLEDKC 536 GKLDPTFASA546 TLLFQKDPPA556 DVQLFQEVPK566 GQSEEDMVGR576 PLPHLAADMQ 586 ASGEAVYCDD596 IPRYENELSL606 RLVTSTRAHA616 KIKSIDTSEA626 KKVPGFVCFI 636 SADDVPGSNI646 TGICNDETVF656 AKDKVTCVGH666 IIGAVVADTP676 EHTQRAAQGV 686 KITYEELPAI696 ITIEDAIKNN706 SFYGPELKIE716 KGDLKKGFSE726 ADNVVSGEIY 736 IGGQEHFYLE746 THCTIAVPKG756 EAGEMELFVS766 TQNTMKTQSF776 VAKMLGVPAN 786 RIVVRVKRMG796 GGFGGKVTRS806 TVVSTAVALA816 AYKTGRPVRC826 MLDRDEDMLI 836 TGGRHPFLAR846 YKVGFMKTGT856 VVALEVDHFS866 NVGNTQDLSQ876 SIMERALFHM 886 DNCYKIPNIR896 GTGRLCKTNL906 PSNTAFRGFG916 GPQGMLIAEC926 WMSEVAVTCG 936 MPAEEVRRKN946 LYKEGDLTHF956 NQKLEGFTLP966 RCWEECLASS976 QYHARKSEVD 986 KFNKENCWKK996 RGLCIIPTKF1006 GISFTVPFLN1016 QAGALLHVYT1026 DGSVLLTHGG 1036 TEMGQGLHTK1046 MVQVASRALK1056 IPTSKIYISE1066 TSTNTVPNTS1076 PTAASVSADL 1086 NGQAVYAACQ1096 TILKRLEPYK1106 KKNPSGSWED1116 WVTAAYMDTV1126 SLSATGFYRT 1136 PNLGYSFETN1146 SGNPFHYFSY1156 GVACSEVEID1166 CLTGDHKNLR1176 TDIVMDVGSS 1186 LNPAIDIGQV1196 EGAFVQGLGL1206 FTLEELHYSP1216 EGSLHTRGPS1226 TYKIPAFGSI 1236 PIEFRVSLLR1246 DCPNKKAIYA1256 SKAVGEPPLF1266 LAASIFFAIK1276 DAIRAARAQH 1286 TGNNVKELFR1296 LDSPATPEKI1306 RNACVDKFTT1316 LCVTGVPENC1326 KPWSVRV |
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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 .MOM or .MOM2 or .MOM3 or :3MOM;style chemicals stick;color identity;select .A:768 or .A:799 or .A:800 or .A:803 or .A:911 or .A:912 or .A:913 or .A:914 or .A:915 or .A:1078 or .A:1079 or .A:1080 or .A:1081 or .A:1262; 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 | Crystal Structure of Human Xanthine Oxidoreductase mutant, Glu803Val | PDB:2E1Q | ||||
| Method | X-ray diffraction | Resolution | 2.60 Å | Mutation | Yes | [1] |
| PDB Sequence |
ADKLVFFVNG
12 RKVVEKNADP22 ETTLLAYLRR32 KLGLSGTKLG42 CGEGGCGACT52 VMLSKYDRLQ 62 NKIVHFSANA72 CLAPICSLHH82 VAVTTVEGIG92 STKTRLHPVQ102 ERIAKSHGSQ 112 CGFCTPGIVM122 SMYTLLRNQP132 EPTMEEIENA142 FQGNLCRCTG152 YRPILQGFRT 162 FARDGSPSLF196 KPEEFTPLDP206 TQEPIFPPEL216 LRLKDTPRKQ226 LRFEGERVTW 236 IQASTLKELL246 DLKAQHPDAK256 LVVGNTEIGI266 EMKFKNMLFP276 MIVCPAWIPE 286 LNSVEHGPDG296 ISFGAACPLS306 IVEKTLVDAV316 AKLPAQKTEV326 FRGVLEQLRW 336 FAGKQVKSVA346 SVGGNIITAS356 PISDLNPVFM366 ASGAKLTLVS376 RGTRRTVQMD 386 HTFFPGYRKT396 LLSPEEILLS406 IEIPYSREGE416 YFSAFKQASR426 REDDIAKVTS 436 GMRVLFKPGT446 TEVQELALCY456 GGMANRTISA466 LKTTQRQLSK476 LWKEELLQDV 486 CAGLAEELHL496 PPDAPGGMVD506 FRCTLTLSFF516 FKFYLTVLQK526 LGQENLEDKC 536 GKLDPTFASA546 TLLFQKDPPA556 DVQLFQEVPK566 GQSEEDMVGR576 PLPHLAADMQ 586 ASGEAVYCDD596 IPRYENELSL606 RLVTSTRAHA616 KIKSIDTSEA626 KKVPGFVCFI 636 SADDVPGSNI646 TGICNDETVF656 AKDKVTCVGH666 IIGAVVADTP676 EHTQRAAQGV 686 KITYEELPAI696 ITIEDAIKNN706 SFYGPELKIE716 KGDLKKGFSE726 ADNVVSGEIY 736 IGGQEHFYLE746 THCTIAVPKG756 EAGEMELFVS766 TQNTMKTQSF776 VAKMLGVPAN 786 RIVVRVKRMG796 GGFGGKVTRS806 TVVSTAVALA816 AYKTGRPVRC826 MLDRDEDMLI 836 TGGRHPFLAR846 YKVGFMKTGT856 VVALEVDHFS866 NVGNTQDLSQ876 SIMERALFHM 886 DNCYKIPNIR896 GTGRLCKTNL906 PSNTAFRGFG916 GPQGMLIAEC926 WMSEVAVTCG 936 MPAEEVRRKN946 LYKEGDLTHF956 NQKLEGFTLP966 RCWEECLASS976 QYHARKSEVD 986 KFNKENCWKK996 RGLCIIPTKF1006 GISFTVPFLN1016 QAGALLHVYT1026 DGSVLLTHGG 1036 TEMGQGLHTK1046 MVQVASRALK1056 IPTSKIYISE1066 TSTNTVPNTS1076 PTAASVSADL 1086 NGQAVYAACQ1096 TILKRLEPYK1106 KKNPSGSWED1116 WVTAAYMDTV1126 SLSATGFYRT 1136 PNLGYSFETN1146 SGNPFHYFSY1156 GVACSEVEID1166 CLTGDHKNLR1176 TDIVMDVGSS 1186 LNPAIDIGQV1196 EGAFVQGLGL1206 FTLEELHYSP1216 EGSLHTRGPS1226 TYKIPAFGSI 1236 PIEFRVSLLR1246 DCPNKKAIYA1256 SKAVGEPPLF1266 LAASIFFAIK1276 DAIRAARAQH 1286 TGNNVKELFR1296 LDSPATPEKI1306 RNACVDKFTT1316 LCVTGVPENC1326 KPWSVRV |
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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:112 or .A:113 or .A:150 or .A:768 or .A:797 or .A:798 or .A:799 or .A:800 or .A:912 or .A:913 or .A:1039 or .A:1040 or .A:1041 or .A:1043 or .A:1078 or .A:1079 or .A:1080 or .A:1081 or .A:1082 or .A:1083 or .A:1084 or .A:1195 or .A:1261 or .A:1262; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLN112
2.625
CYS113
4.106
CYS150
2.957
GLN768
4.754
GLY797
3.459
GLY798
2.623
PHE799
3.087
GLY800
3.876
PHE912
4.859
ARG913
3.057
MET1039
2.759
GLY1040
3.399
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Human xanthine oxidase changes its substrate specificity to aldehyde oxidase type upon mutation of amino acid residues in the active site: roles of active site residues in binding and activation of purine substrate. J Biochem. 2007 Apr;141(4):513-24. | ||||
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