Target Binding Site Detail

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Target General Information
Ligand General Information
Drug Binding Sites of Target
References
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
TOP2B_HUMAN
Ligand General Information  Top
Ligand Name adenosine diphosphate Ligand Info
Canonical SMILES C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
InChI 1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKey XTWYTFMLZFPYCI-KQYNXXCUSA-N
PubChem Compound ID 6022
Drug Binding Sites of Target  Top
PDB ID: 7QFN      Human Topoisomerase II Beta ATPase ADP
Method X-ray diffraction Resolution 2.62 Å Mutation No [1]
PDB Sequence
ERVYQKKTQL
56
EHILLRPDTY
66
IGSVEPLTQF
76
MWVYDEDVGM
86
NCREVTFVPG
96

LYKIFDEILV
106
NAADNKQRDK
116
NMTCIKVSID
126
PESNIISIWN
136
NGKGIPVVEH
146

KVEKVYVPAL
156
IFGQLLTSSN
166
YDVTGGRNGY
181
GAKLCNIFST
191
KFTVETACKE
201

YKHSFKQTWM
211
NNMMKTSEAK
221
IKHFDGEDYT
231
CITFQPDLSK
241
FKMEKLDKDI
251

VALMTRRAYD
261
LAGSCRGVKV
271
MFNGKKLPVN
281
GFRSYVDLYV
291
KDKLDETGVA
301

LKVIHELANE
311
RWDVCLTLSE
321
KGFQQISFVN
331
SIATTKGGRH
341
VDYVVDQVVG
351

KLIEVKPFQV
372
KNHIWVFINC
382
LIENPTFDSQ
392
TKENMTLQPK
402
SFGSKCQLSE
412

KFFKAASNCG
422
Residue
Distance (Å)
GLU103
3.894
ILE104
4.748
ASN107
2.352
ALA108
2.396
ASP110
4.350
ASN111
2.921
ARG114
2.833
ASN136
2.535
LYS139
3.995
GLY140
4.253
ILE141
2.873
ILE157
2.462
PHE158
2.639
THR163
2.685
Residue
Distance (Å)
SER164
2.535
SER165
2.195
ASN166
2.705
GLY177
2.719
ARG178
2.541
ASN179
3.228
GLY180
2.306
TYR181
3.462
GLY182
3.210
ALA183
2.168
LYS184
2.280
THR231
3.477
ILE233
3.802
PDB ID: 7ZBG      Human Topoisomerase II Beta ATPase ADP
Method X-ray diffraction Resolution 2.30 Å Mutation No [1]
PDB Sequence
SVERVYQKKT
54
QLEHILLRPD
64
TYIGSVEPLT
74
QFMWVYDEDV
84
GMNCREVTFV
94

PGLYKIFDEI
104
LVNAADNKQR
114
DKNMTCIKVS
124
IDPESNIISI
134
WNNGKGIPVV
144

EHKVEKVYVP
154
ALIFGQLLTS
164
SNYDDDEKKV
174
TGGRNGYGAK
184
LCNIFSTKFT
194

VETACKEYKH
204
SFKQTWMNNM
214
MKTSEAKIKH
224
FDGEDYTCIT
234
FQPDLSKFKM
244

EKLDKDIVAL
254
MTRRAYDLAG
264
SCRGVKVMFN
274
GKKLPVNGFR
284
SYVDLYVKDK
294

LDETGVALKV
304
IHELANERWD
314
VCLTLSEKGF
324
QQISFVNSIA
334
TTKGGRHVDY
344

VVDQVVGKLP
369
FQVKNHIWVF
379
INCLIENPTF
389
DSQTKENMTL
399
QPKSFGSKCQ
409

LSEKFFKAAS
419
NCG
Residue
Distance (Å)
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
Residue
Distance (Å)
SER164
2.481
SER165
2.098
ASN166
2.981
GLY177
2.619
ARG178
2.102
ASN179
2.889
GLY180
2.256
TYR181
3.659
GLY182
3.406
ALA183
2.035
LYS184
2.016
THR231
2.632
ILE233
4.269
References  Top
REF 1 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.

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