Binding Site Information of Target
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T85733 | Target Info | |||
| Target Name | DNA topoisomerase II beta (TOP2B) | ||||
| Synonyms | Topo IIbeta; TOP2beta; TOP2B | ||||
| Target Type | Successful Target | ||||
| Gene Name | TOP2B | ||||
| Biochemical Class | ATP-hydrolyzing DNA topoisomerase | ||||
| UniProt ID | |||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| Ligand Name: Etoposide | Ligand Info | |||||
| Structure Description | Human topoisomerase IIbeta in complex with DNA and etoposide | PDB:3QX3 | ||||
| Method | X-ray diffraction | Resolution | 2.16 Å | Mutation | No | [1] |
| PDB Sequence |
KGIPKLDDAN
461 DAGGKHSLEC471 TLILTEGDSA481 KSLAVSGLGV491 IGRDRYGVFP501 LRGKILNVRE 511 ASHKQIMENA521 EINNIIKIVG531 LQYKKSYDDA541 ESLKTLRYGK551 IMIMTDQDQD 561 GSHIKGLLIN571 FIHHNWPSLL581 KHGFLEEFIT591 KEAKEYFADM647 ERHRILFRYA 657 GPEDDAAITL667 AFSKKKIDDR677 KEWLTNFMED687 RRQRRLHGLK707 HLTYNDFINK 717 ELILFSNSDN727 ERSIPSLVDG737 FKPGQRKVLF747 TCFKRNDKRE757 VKVAQLAGSV 767 AEMSAYHHGE777 QALMMTIVNL787 AQNFVGSNNI797 NLLQPIGQFG807 TRLHGGKDAA 817 SPRYIFTMLS827 TLARLLFPAV837 DDNLLKFLYD847 DNQRVEPEWY857 IPIIPMVLIN 867 GAEGIGTGWA877 CKLPNYDARE887 IVNNVRRMLD897 GLDPHPMLPN907 YKNFKGTIQE 917 LGQNQYAVSG927 EIFVVDRNTV937 EITELPVRTW947 TQVYKEQVLE957 PMLNGTDKTP 967 ALISDYKEYH977 TDTTVKFVVK987 MTEEKLAQAE997 AAGLHKVFKL1007 QTTLTCNSMV 1017 LFDHMGCLKK1027 YETVQDILKE1037 FFDLRLSYYG1047 LRKEWLVGML1057 GAESTKLNNQ 1067 ARFILEKIQG1077 KITIENRSKK1087 DLIQMLVQRG1097 YESDPVKAWK1107 EAQEGPDFNY 1140 ILNMSLWSLT1150 KEKVEELIKQ1160 RDAKGREVND1170 LKRKSPSDLW1180 KEDLAAFVEE 1190 LDKVESQERE1200 D
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| Ligand Name: Mitoxantrone | Ligand Info | |||||
| Structure Description | Human topoisomerase iibeta in complex with DNA and mitoxantrone | PDB:4G0V | ||||
| Method | X-ray diffraction | Resolution | 2.55 Å | Mutation | No | [2] |
| PDB Sequence |
KGIPKLDDAN
461 DAGGKHSLEC471 TLILTEGDSA481 KSLAVSGLGV491 IGRDRYGVFP501 LRGKILNVRE 511 ASHKQIMENA521 EINNIIKIVG531 LQYKKSYDDA541 ESLKTLRYGK551 IMIMTDQDQD 561 GSHIKGLLIN571 FIHHNWPSLL581 KHGFLEEFIT591 DMERHRILFR655 YAGPEDDAAI 665 TLAFSKKKID675 DRKEWLTNFM685 EDRRQRRLHG695 LKHLTYNDFI715 NKELILFSNS 725 DNERSIPSLV735 DGFKPGQRKV745 LFTCFKRNDK755 REVKVAQLAG765 SVAEMSAYHH 775 GEQALMMTIV785 NLAQNFVGSN795 NINLLQPIGQ805 FGTRLHGGKD815 AASPRYIFTM 825 LSTLARLLFP835 AVDDNLLKFL845 YDDNQRVEPE855 WYIPIIPMVL865 INGAEGIGTG 875 WACKLPNYDA885 REIVNNVRRM895 LDGLDPHPML905 PNYKNFKGTI915 QELGQNQYAV 925 SGEIFVVDRN935 TVEITELPVR945 TWTQVYKEQV955 LEPMLNGTDK965 TPALISDYKE 975 YHTDTTVKFV985 VKMTEEKLAQ995 AEAAGLHKVF1005 KLQTTLTCNS1015 MVLFDHMGCL 1025 KKYETVQDIL1035 KEFFDLRLSY1045 YGLRKEWLVG1055 MLGAESTKLN1065 NQARFILEKI 1075 QGKITIENRS1085 KKDLIQMLVQ1095 RGYESDPVKA1105 WKEAQEGPDF1138 NYILNMSLWS 1148 LTKEKVEELI1158 KQRDAKGREV1168 NDLKRKSPSD1178 LWKEDLAAFV1188 EELDKVESQE 1198 RED
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| Ligand Name: L-alanine | Ligand Info | |||||
| Structure Description | Human Topoisomerase II Beta ATPase AMPPNP | PDB:7QFO | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [3] |
| PDB Sequence |
VERVYQKKTQ
55 LEHILLRPDT65 YIGSVEPLTQ75 FMWVYDEDVG85 MNCREVTFVP95 GLYKIFDEIL 105 VNAADNKQRD115 KNMTCIKVSI125 DPESNIISIW135 NNGKGIPVVE145 HKVEKVYVPA 155 LIFGQLLTSS165 NYDDDEKKVT175 GGRNGYGAKL185 CNIFSTKFTV195 ETACKEYKHS 205 FKQTWMNNMM215 KTSEAKIKHF225 DGEDYTCITF235 QPDLSKFKME245 KLDKDIVALM 255 TRRAYDLAGS265 CRGVKVMFNG275 KKLPVNGFRS285 YVDLYVKDKL295 DETGVALKVI 305 HELANERWDV315 CLTLSEKGFQ325 QISFVNSIAT335 TKGGRHVDYV345 VDQVVGKLIE 355 VVKKKNVKPF370 QVKNHIWVFI380 NCLIENPTFD390 SQTKENMTLQ400 PKSFGSKCQL 410 SEKFFKAASN420 CGIVESILN
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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 .ALA or .ALA2 or .ALA3 or :3ALA;style chemicals stick;color identity;select .A:371 or .A:426 or .A:427 or .A:428 or .A:429; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: AjvW2 | Ligand Info | |||||
| Structure Description | Human Topoisomerase II Beta ATPase ADP | PDB:7ZBG | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [3] |
| PDB Sequence |
SVERVYQKKT
54 QLEHILLRPD64 TYIGSVEPLT74 QFMWVYDEDV84 GMNCREVTFV94 PGLYKIFDEI 104 LVNAADNKQR114 DKNMTCIKVS124 IDPESNIISI134 WNNGKGIPVV144 EHKVEKVYVP 154 ALIFGQLLTS164 SNYDDDEKKV174 TGGRNGYGAK184 LCNIFSTKFT194 VETACKEYKH 204 SFKQTWMNNM214 MKTSEAKIKH224 FDGEDYTCIT234 FQPDLSKFKM244 EKLDKDIVAL 254 MTRRAYDLAG264 SCRGVKVMFN274 GKKLPVNGFR284 SYVDLYVKDK294 LDETGVALKV 304 IHELANERWD314 VCLTLSEKGF324 QQISFVNSIA334 TTKGGRHVDY344 VVDQVVGKLP 369 FQVKNHIWVF379 INCLIENPTF389 DSQTKENMTL399 QPKSFGSKCQ409 LSEKFFKAAS 419 NCG
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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 .ITH or .ITH2 or .ITH3 or :3ITH;style chemicals stick;color identity;select .A:58 or .A:62 or .A:65 or .A:66 or .A:67 or .A:99 or .A:179 or .A:181 or .A:185 or .A:392; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: AMP-PNP | Ligand Info | |||||
| Structure Description | Human Topoisomerase II Beta ATPase AMPPNP | PDB:7QFO | ||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | No | [3] |
| PDB Sequence |
VERVYQKKTQ
55 LEHILLRPDT65 YIGSVEPLTQ75 FMWVYDEDVG85 MNCREVTFVP95 GLYKIFDEIL 105 VNAADNKQRD115 KNMTCIKVSI125 DPESNIISIW135 NNGKGIPVVE145 HKVEKVYVPA 155 LIFGQLLTSS165 NYDDDEKKVT175 GGRNGYGAKL185 CNIFSTKFTV195 ETACKEYKHS 205 FKQTWMNNMM215 KTSEAKIKHF225 DGEDYTCITF235 QPDLSKFKME245 KLDKDIVALM 255 TRRAYDLAGS265 CRGVKVMFNG275 KKLPVNGFRS285 YVDLYVKDKL295 DETGVALKVI 305 HELANERWDV315 CLTLSEKGFQ325 QISFVNSIAT335 TKGGRHVDYV345 VDQVVGKLIE 355 VVKKKNVKPF370 QVKNHIWVFI380 NCLIENPTFD390 SQTKENMTLQ400 PKSFGSKCQL 410 SEKFFKAASN420 CGIVESILN
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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 .ANP or .ANP2 or .ANP3 or :3ANP;style chemicals stick;color identity;select .A:103 or .A:104 or .A:107 or .A:108 or .A:110 or .A:111 or .A:114 or .A:136 or .A:139 or .A:140 or .A:141 or .A:157 or .A:158 or .A:163 or .A:164 or .A:165 or .A:166 or .A:176 or .A:177 or .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:231 or .A:233 or .A:392 or .A:394; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLU103
3.575
ILE104
4.852
ASN107
2.239
ALA108
3.019
ASP110
4.339
ASN111
2.715
ARG114
2.316
ASN136
2.111
LYS139
3.960
GLY140
4.446
ILE141
2.869
ILE157
2.470
PHE158
2.868
THR163
2.778
SER164
2.534
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| Ligand Name: adenosine diphosphate | Ligand Info | |||||
| Structure Description | Human Topoisomerase II Beta ATPase ADP | PDB:7ZBG | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [3] |
| PDB Sequence |
SVERVYQKKT
54 QLEHILLRPD64 TYIGSVEPLT74 QFMWVYDEDV84 GMNCREVTFV94 PGLYKIFDEI 104 LVNAADNKQR114 DKNMTCIKVS124 IDPESNIISI134 WNNGKGIPVV144 EHKVEKVYVP 154 ALIFGQLLTS164 SNYDDDEKKV174 TGGRNGYGAK184 LCNIFSTKFT194 VETACKEYKH 204 SFKQTWMNNM214 MKTSEAKIKH224 FDGEDYTCIT234 FQPDLSKFKM244 EKLDKDIVAL 254 MTRRAYDLAG264 SCRGVKVMFN274 GKKLPVNGFR284 SYVDLYVKDK294 LDETGVALKV 304 IHELANERWD314 VCLTLSEKGF324 QQISFVNSIA334 TTKGGRHVDY344 VVDQVVGKLP 369 FQVKNHIWVF379 INCLIENPTF389 DSQTKENMTL399 QPKSFGSKCQ409 LSEKFFKAAS 419 NCG
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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 .ADP or .ADP2 or .ADP3 or :3ADP;style chemicals stick;color identity;select .A:103 or .A:104 or .A:107 or .A:108 or .A:110 or .A:111 or .A:114 or .A:136 or .A:139 or .A:140 or .A:141 or .A:157 or .A:158 or .A:163 or .A:164 or .A:165 or .A:166 or .A:177 or .A:178 or .A:179 or .A:180 or .A:181 or .A:182 or .A:183 or .A:184 or .A:231 or .A:233; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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GLU103
4.783
ILE104
4.615
ASN107
2.373
ALA108
2.770
ASP110
4.053
ASN111
2.751
ARG114
2.367
ASN136
2.305
LYS139
3.832
GLY140
4.181
ILE141
2.940
ILE157
2.492
PHE158
2.932
THR163
2.872
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| Click to View More Binding Site Information of This Target and Ligand Pair | ||||||
| Ligand Name: 5-Iodouridine-5'-monophosphate | Ligand Info | |||||
| Structure Description | Crystal structure of human topoisomerase II beta in complex with 5-iodouridine-containing-DNA and etoposide in space group p21 | PDB:5ZRF | ||||
| Method | X-ray diffraction | Resolution | 2.30 Å | Mutation | No | [4] |
| PDB Sequence |
KGIPKLDDAN
461 DAGGKHSLEC471 TLILTEGDSA481 KSLAVSGLGV491 IGRDRYGVFP501 LRGKILNVRE 511 ASHKQIMENA521 EINNIIKIVG531 LQYKKSYDDA541 ESLKTLRYGK551 IMIMTDQDQD 561 GSHIKGLLIN571 FIHHNWPSLL581 KHGFLEEFIT591 KEAKEYFADM647 ERHRILFRYA 657 GPEDDAAITL667 AFSKKKIDDR677 KEWLTNFMED687 RRQRRLHKHL709 TYNDFINKEL 719 ILFSNSDNER729 SIPSLVDGFK739 PGQRKVLFTC749 FKRNDKREVK759 VAQLAGSVAE 769 MSAYHHGEQA779 LMMTIVNLAQ789 NFVGSNNINL799 LQPIGQFGTR809 LHGGKDAASP 819 RYIFTMLSTL829 ARLLFPAVDD839 NLLKFLYDDN849 QRVEPEWYIP859 IIPMVLINGA 869 EGIGTGWACK879 LPNYDAREIV889 NNVRRMLDGL899 DPHPMLPNYK909 NFKGTIQELG 919 QNQYAVSGEI929 FVVDRNTVEI939 TELPVRTWTQ949 VYKEQVLEPM959 LNGTDKTPAL 969 ISDYKEYHTD979 TTVKFVVKMT989 EEKLAQAEAA999 GLHKVFKLQT1009 TLTCNSMVLF 1019 DHMGCLKKYE1029 TVQDILKEFF1039 DLRLSYYGLR1049 KEWLVGMLGA1059 ESTKLNNQAR 1069 FILEKIQGKI1079 TIENRSKKDL1089 IQMLVQRGYE1099 SDPVKAWKEA1109 QEGPDFNYIL 1142 NMSLWSLTKE1152 KVEELIKQRD1162 AKGREVNDLK1172 RKSPSDLWKE1182 DLAAFVEELD 1192 KVESQERED
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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 .IU or .IU2 or .IU3 or :3IU;style chemicals stick;color identity;select .A:776 or .A:778; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: chloro{4,5-di(amino-kappaN)-N-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum | Ligand Info | |||||
| Structure Description | Structure of a Human topoisomerase IIbeta fragment in complex with DNA and E7873S | PDB:5GWJ | ||||
| Method | X-ray diffraction | Resolution | 2.57 Å | Mutation | No | [5] |
| PDB Sequence |
KGIPKLDDAN
461 DAGGKHSLEC471 TLILTEGDSA481 KSLAVSGLGV491 IGRDRYGVFP501 LRGKILNVRE 511 ASHKQIMENA521 EINNIIKIVG531 LQYKKSYDDA541 ESLKTLRYGK551 IMIMTDQDQD 561 GSHIKGLLIN571 FIHHNWPSLL581 KHGFLEEFIT591 PITSTAKEAK641 EYFADMERHR 651 ILFRYAGPED661 DAAITLAFSK671 KKIDDRKEWL681 TNFMEDRRQR691 RLHGLKHLTY 711 NDFINKELIL721 FSNSDNERSI731 PSLVDGFKPG741 QRKVLFTCFK751 RNDKREVKVA 761 QLAGSVAEMS771 AYHHGEQALM781 MTIVNLAQNF791 VGSNNINLLQ801 PIGQFGTRLH 811 GGKDAASPRY821 IFTMLSTLAR831 LLFPAVDDNL841 LKFLYDDNQR851 VEPEWYIPII 861 PMVLINGAEG871 IGTGWACKLP881 NYDAREIVNN891 VRRMLDGLDP901 HPMLPNYKNF 911 KGTIQELGQN921 QYAVSGEIFV931 VDRNTVEITE941 LPVRTWTQVY951 KEQVLEPMLN 961 GTDKTPALIS971 DYKEYHTDTT981 VKFVVKMTEE991 KLAQAEAAGL1001 HKVFKLQTTL 1011 TCNSMVLFDH1021 MGCLKKYETV1031 QDILKEFFDL1041 RLSYYGLRKE1051 WLVGMLGAES 1061 TKLNNQARFI1071 LEKIQGKITI1081 ENRSKKDLIQ1091 MLVQRGYESD1101 PVKAWKEAQE 1111 GPDFNYILNM1144 SLWSLTKEKV1154 EELIKQRDAK1164 GREVNDLKRK1174 SPSDLWKEDL 1184 AAFVEELDKV1194 ESQERED
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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 .N2S or .N2S2 or .N2S3 or :3N2S;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:502 or .A:503 or .A:504 or .A:778 or .A:782; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: chloro{4,5-di(amino-kappaN)-N-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum | Ligand Info | |||||
| Structure Description | Structure of a Human topoisomerase IIbeta fragment in complex with DNA and E7873S | PDB:5GWJ | ||||
| Method | X-ray diffraction | Resolution | 2.57 Å | Mutation | No | [5] |
| PDB Sequence |
KGIPKLDDAN
461 DAGGKHSLEC471 TLILTEGDSA481 KSLAVSGLGV491 IGRDRYGVFP501 LRGKILNVRE 511 ASHKQIMENA521 EINNIIKIVG531 LQYKKSYDDA541 ESLKTLRYGK551 IMIMTDQDQD 561 GSHIKGLLIN571 FIHHNWPSLL581 KHGFLEEFIT591 PITSTAKEAK641 EYFADMERHR 651 ILFRYAGPED661 DAAITLAFSK671 KKIDDRKEWL681 TNFMEDRRQR691 RLHGLKHLTY 711 NDFINKELIL721 FSNSDNERSI731 PSLVDGFKPG741 QRKVLFTCFK751 RNDKREVKVA 761 QLAGSVAEMS771 AYHHGEQALM781 MTIVNLAQNF791 VGSNNINLLQ801 PIGQFGTRLH 811 GGKDAASPRY821 IFTMLSTLAR831 LLFPAVDDNL841 LKFLYDDNQR851 VEPEWYIPII 861 PMVLINGAEG871 IGTGWACKLP881 NYDAREIVNN891 VRRMLDGLDP901 HPMLPNYKNF 911 KGTIQELGQN921 QYAVSGEIFV931 VDRNTVEITE941 LPVRTWTQVY951 KEQVLEPMLN 961 GTDKTPALIS971 DYKEYHTDTT981 VKFVVKMTEE991 KLAQAEAAGL1001 HKVFKLQTTL 1011 TCNSMVLFDH1021 MGCLKKYETV1031 QDILKEFFDL1041 RLSYYGLRKE1051 WLVGMLGAES 1061 TKLNNQARFI1071 LEKIQGKITI1081 ENRSKKDLIQ1091 MLVQRGYESD1101 PVKAWKEAQE 1111 GPDFNYILNM1144 SLWSLTKEKV1154 EELIKQRDAK1164 GREVNDLKRK1174 SPSDLWKEDL 1184 AAFVEELDKV1194 ESQERED
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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 .N2W or .N2W2 or .N2W3 or :3N2W;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:502 or .A:503 or .A:504 or .A:778 or .A:782; color #00ffc7; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: dichloro{4,5-di(amino-kappaN)-N-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum | Ligand Info | |||||
| Structure Description | Structure of a Human topoisomerase IIbeta fragment in complex with DNA and E7873R | PDB:5GWI | ||||
| Method | X-ray diffraction | Resolution | 2.74 Å | Mutation | No | [5] |
| PDB Sequence |
KGIPKLDDAN
461 DAGGKHSLEC471 TLILTEGDSA481 KSLAVSGLGV491 IGRDRYGVFP501 LRGKILNVRE 511 ASHKQIMENA521 EINNIIKIVG531 LQYKKSYDDA541 ESLKTLRYGK551 IMIMTDQDQD 561 GSHIKGLLIN571 FIHHNWPSLL581 KHGFLEEFIT591 KEAKEYFADM647 ERHRILFRYA 657 GPEDDAAITL667 AFSKKKIDDR677 KEWLTNFMED687 RRQRRLHGLK707 HLTYNDFINK 717 ELILFSNSDN727 ERSIPSLVDG737 FKPGQRKVLF747 TCFKRNDKRE757 VKVAQLAGSV 767 AEMSAYHHGE777 QALMMTIVNL787 AQNFVGSNNI797 NLLQPIGQFG807 TRLHGGKDAA 817 SPRYIFTMLS827 TLARLLFPAV837 DDNLLKFLYD847 DNQRVEPEWY857 IPIIPMVLIN 867 GAEGIGTGWA877 CKLPNYDARE887 IVNNVRRMLD897 GLDPHPMLPN907 YKNFKGTIQE 917 LGQNQYAVSG927 EIFVVDRNTV937 EITELPVRTW947 TQVYKEQVLE957 PMLNGTDKTP 967 ALISDYKEYH977 TDTTVKFVVK987 MTEEKLAQAE997 AAGLHKVFKL1007 QTTLTCNSMV 1017 LFDHMGCLKK1027 YETVQDILKE1037 FFDLRLSYYG1047 LRKEWLVGML1057 GAESTKLNNQ 1067 ARFILEKIQG1077 KITIENRSKK1087 DLIQMLVQRG1097 YESDPVKAWK1107 EAQEGPDFNY 1140 ILNMSLWSLT1150 KEKVEELIKQ1160 RDAKGREVND1170 LKRKSPSDLW1180 KEDLAAFVEE 1190 LDKVESQERE1200 D
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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 .N2R or .N2R2 or .N2R3 or :3N2R;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:502 or .A:503 or .A:504 or .A:778 or .A:781 or .A:782 or .A:785 or .A:819; color #f3c393; zoom selection;set surface opacity 0.5;set surface Van der Waals surface;set mode all
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| Ligand Name: dichloro{4,5-di(amino-kappaN)-N-[9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydro-2H-furo[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl]pentanamide}platinum | Ligand Info | |||||
| Structure Description | Structure of a Human topoisomerase IIbeta fragment in complex with DNA and E7873R | PDB:5GWI | ||||
| Method | X-ray diffraction | Resolution | 2.74 Å | Mutation | No | [5] |
| PDB Sequence |
KGIPKLDDAN
461 DAGGKHSLEC471 TLILTEGDSA481 KSLAVSGLGV491 IGRDRYGVFP501 LRGKILNVRE 511 ASHKQIMENA521 EINNIIKIVG531 LQYKKSYDDA541 ESLKTLRYGK551 IMIMTDQDQD 561 GSHIKGLLIN571 FIHHNWPSLL581 KHGFLEEFIT591 KEAKEYFADM647 ERHRILFRYA 657 GPEDDAAITL667 AFSKKKIDDR677 KEWLTNFMED687 RRQRRLHGLK707 HLTYNDFINK 717 ELILFSNSDN727 ERSIPSLVDG737 FKPGQRKVLF747 TCFKRNDKRE757 VKVAQLAGSV 767 AEMSAYHHGE777 QALMMTIVNL787 AQNFVGSNNI797 NLLQPIGQFG807 TRLHGGKDAA 817 SPRYIFTMLS827 TLARLLFPAV837 DDNLLKFLYD847 DNQRVEPEWY857 IPIIPMVLIN 867 GAEGIGTGWA877 CKLPNYDARE887 IVNNVRRMLD897 GLDPHPMLPN907 YKNFKGTIQE 917 LGQNQYAVSG927 EIFVVDRNTV937 EITELPVRTW947 TQVYKEQVLE957 PMLNGTDKTP 967 ALISDYKEYH977 TDTTVKFVVK987 MTEEKLAQAE997 AAGLHKVFKL1007 QTTLTCNSMV 1017 LFDHMGCLKK1027 YETVQDILKE1037 FFDLRLSYYG1047 LRKEWLVGML1057 GAESTKLNNQ 1067 ARFILEKIQG1077 KITIENRSKK1087 DLIQMLVQRG1097 YESDPVKAWK1107 EAQEGPDFNY 1140 ILNMSLWSLT1150 KEKVEELIKQ1160 RDAKGREVND1170 LKRKSPSDLW1180 KEDLAAFVEE 1190 LDKVESQERE1200 D
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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 .N2N or .N2N2 or .N2N3 or :3N2N;style chemicals stick;color identity;select .A:477 or .A:478 or .A:479 or .A:502 or .A:503 or .A:504 or .A:778 or .A:781 or .A:782 or .A:785 or .A:819; 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 | Structural basis of type II topoisomerase inhibition by the anticancer drug etoposide. Science. 2011 Jul 22;333(6041):459-62. | ||||
| REF 2 | On the structural basis and design guidelines for type II topoisomerase-targeting anticancer drugs. Nucleic Acids Res. 2013 Dec;41(22):10630-40. | ||||
| REF 3 | A comprehensive structural analysis of the ATPase domain of human DNA topoisomerase II beta bound to AMPPNP, ADP, and the bisdioxopiperazine, ICRF193. Structure. 2022 Aug 4;30(8):1129-1145.e3. | ||||
| REF 4 | Structural insights into the gating of DNA passage by the topoisomerase II DNA-gate. Nat Commun. 2018 Aug 6;9(1):3085. | ||||
| REF 5 | Producing irreversible topoisomerase II-mediated DNA breaks by site-specific Pt(II)-methionine coordination chemistry. Nucleic Acids Res. 2017 Oct 13;45(18):10861-10871. | ||||
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