Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T17048 | Target Info | |||
| Target Name | DNA topoisomerase II alpha (TOP2A) | ||||
| Synonyms | DNA topoisomerase II, alpha isozyme; DNA topoisomerase 2alpha; DNA topoisomerase 2-alpha | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | TOP2A | ||||
| Biochemical Class | Topoisomerase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | AMP-PNP | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(NP(=O)(O)O)O)O)O)N | ||||
| InChI | 1S/C10H17N6O12P3/c11-8-5-9(13-2-12-8)16(3-14-5)10-7(18)6(17)4(27-10)1-26-31(24,25)28-30(22,23)15-29(19,20)21/h2-4,6-7,10,17-18H,1H2,(H,24,25)(H2,11,12,13)(H4,15,19,20,21,22,23)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | PVKSNHVPLWYQGJ-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 33113 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6ZY7 Cryo-EM structure of the entire Human topoisomerase II alpha in State 1 | ||||||
| Method | Electron microscopy | Resolution | 4.64 Å | Mutation | No | [1] |
| PDB Sequence |
SVERIYQKKT
38 QLEHILLRPD48 TYIGSVELVT58 QQMWVYDEDV68 GINYREVTFV78 PGLYKIFDEI 88 LVNAADNKQR98 DPKMSCIRVT108 IDPENNLISI118 WNNGKGIPVV128 EHKVEKMYVP 138 ALIFGQLLTS148 SNYDDDEKKV158 TGGRNGYGAK168 LCNIFSTKFT178 VETASREYKK 188 MFKQTWMDNM198 GRAGEMELKP208 FNGEDYTCIT218 FQPDLSKFKM228 QSLDKDIVAL 238 MVRRAYDIAG248 STKDVKVFLN258 GNKLPVKGFR268 SYVDMYLKDK278 LDETGNSLKV 288 IHEQVNHRWE298 VCLTMSEKGF308 QQISFVNSIA318 TSKGGRHVDY328 VADQIVTKLV 338 DVVKKKNAVK352 AHQVKNHMWI362 FVNALIENPT372 FDSQTKENMT382 LQPKSFGSTC 392 QLSEKFIKAA402 IGCGIVESIL412 NWVKFKAQVQ422 LNKKCSAVKH432 NRIKGIPKLD 442 DANDAGGRNS452 TECTLILTEG462 DSAKTLAVSG472 LGVVGRDKYG482 VFPLRGKILN 492 VREASHKQIM502 ENAEINNIIK512 IVGLQYKKNY522 EDEDSLKTLR532 YGKIMIMTDQ 542 DQDGSHIKGL552 LINFIHHNWP562 SLLRHRFLEE572 FITPIVKVSK582 NKQEMAFYSL 592 PEFEEWKSST602 PNHKKWKVKY612 YKGLGTSTSK622 EAKEYFADMK632 RHRIQFKYSG 642 PEDDAAISLA652 FSKKQIDDRK662 EWLTNFMEDR672 RQRKLLGLPE682 DYLYGQTTTY 692 LTYNDFINKE702 LILFSNSDNE712 RSIPSMVDGL722 KPGQRKVLFT732 CFKRNDKREV 742 KVAQLAGSVA752 EMSSYHHGEM762 SLMMTIINLA772 QNFVGSNNLN782 LLQPIGQFGT 792 RLHGGKDSAS802 PRYIFTMLSS812 LARLLFPPKD822 DHTLKFLYDD832 NQRVEPEWYI 842 PIIPMVLING852 AEGIGTGWSC862 KIPNFDVREI872 VNNIRRLMDG882 EEPLPMLPSY 892 KNFKGTIEEL902 APNQYVISGE912 VAILNSTTIE922 ISELPVRTWT932 QTYKEQVLEP 942 MLNGTEKTPP952 LITDYREYHT962 DTTVKFVVKM972 TEEKLAEAER982 VGLHKVFKLQ 992 TSLTCNSMVL1002 FDHVGCLKKY1012 DTVLDILRDF1022 FELRLKYYGL1032 RKEWLLGMLG 1042 AESAKLNNQA1052 RFILEKIDGK1062 IIIENKPKKE1072 LIKVLIQRGY1082 DSDPVKAWKE 1092 AQQKVSGPTF1125 NYLLDMPLWY1135 LTKEKKDELC1145 RLRNEKEQEL1155 DTLKRKSPSD 1165 LWKEDLATFI1175 EELEAVEAKE1185 KQDEQVGLPG1195 KGGKAKGKKT1205 QMAEVLPSPR 1215
|
|||||
|
|
GLU87
2.902
VAL90
4.081
ASN91
2.666
ALA92
4.703
ASP94
2.996
ASN95
3.207
ARG98
4.101
ASN120
3.867
LYS123
4.665
ILE125
3.620
ILE141
3.679
PHE142
4.415
THR147
3.966
SER148
2.796
|
|||||
| PDB ID: 1ZXM Human Topo IIa ATPase/AMP-PNP | ||||||
| Method | X-ray diffraction | Resolution | 1.87 Å | Mutation | No | [2] |
| PDB Sequence |
SVERIYQKKT
38 QLEHILLRPD48 TYIGSVELVT58 QQMWVYDEDV68 GINYREVTFV78 PGLYKIFDEI 88 LVNAADNKQR98 DPKMSCIRVT108 IDPENNLISI118 WNNGKGIPVV128 EHKVEKMYVP 138 ALIFGQLLTS148 SNYDDDEKKV158 TGGRNGYGAK168 LCNIFSTKFT178 VETASREYKK 188 MFKQTWMDNM198 GRAGEMELKP208 FNGEDYTCIT218 FQPDLSKFKM228 QSLDKDIVAL 238 MVRRAYDIAG248 STKDVKVFLN258 GNKLPVKGFR268 SYVDMYLKDK278 LDETGNSLKV 288 IHEQVNHRWE298 VCLTMSEKGF308 QQISFVNSIA318 TSKGGRHVDY328 VADQIVTKLV 338 DVVKKKNAVK352 AHQVKNHMWI362 FVNALIENPT372 FDSQTKENMT382 LQPKSFGSTC 392 QLSEKFIKAA402 IGC
|
|||||
|
|
GLU87
3.581
ASN91
2.909
ALA92
4.058
ASP94
4.395
ASN95
3.159
ARG98
3.681
ASN120
2.824
LYS123
4.280
GLY124
4.999
ILE125
3.404
ILE141
3.433
PHE142
3.601
THR147
3.466
SER148
2.758
|
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Structural basis for allosteric regulation of Human Topoisomerase IIAlpha. Nat Commun. 2021 May 20;12(1):2962. | ||||
| REF 2 | Nucleotide-dependent domain movement in the ATPase domain of a human type IIA DNA topoisomerase. J Biol Chem. 2005 Nov 4;280(44):37041-7. | ||||
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