Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T96623 | Target Info | |||
| Target Name | Heat shock protein 90 beta (HSP90B) | ||||
| Synonyms | Heat shock 84 kDa; HSP84; HSP 84 | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | HSP90AB1 | ||||
| Biochemical Class | Heat shock protein | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Adenosine triphosphate | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N | ||||
| InChI | 1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | ||||
| InChIKey | ZKHQWZAMYRWXGA-KQYNXXCUSA-N | ||||
| PubChem Compound ID | 5957 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 5FWK Atomic cryoEM structure of Hsp90-Cdc37-Cdk4 complex | ||||||
| Method | Electron microscopy | Resolution | 3.90 Å | Mutation | No | [1] |
| PDB Sequence |
EEVETFAFQA
19 EIAQLMSLII29 NTFYSNKEIF39 LRELISNASD49 ALDKIRYESL59 TDPSKLDSGK 69 ELKIDIIPNP79 QERTLTLVDT89 GIGMTKADLI99 NNLGTIAKSG109 TKAFMEALQA 119 GADISMIGQF129 GVGFYSAYLV139 AEKVVVITKH149 NDDEQYAWES159 SAGGSFTVRA 169 DHGEPIGRGT179 KVILHLKEDQ189 TEYLEERRVK199 EVVKKHSQFI209 GYPITLYLEK 219 EREKEISKKI272 KEKYIDQEEL282 NKTKPIWTRN292 PDDITQEEYG302 EFYKSLTNDW 312 EDHLAVKHFS322 VEGQLEFRAL332 LFIPRRAPFD342 LFENKKKKNN352 IKLYVRRVFI 362 MDSCDELIPE372 YLNFIRGVVD382 SEDLPLNISR392 EMLQQSKILK402 VIRKNIVKKC 412 LELFSELAED422 KENYKKFYEA432 FSKNLKLGIH442 EDSTNRRRLS452 ELLRYHTSQS 462 GDEMTSLSEY472 VSRMKETQKS482 IYYITGESKE492 QVANSAFVER502 VRKRGFEVVY 512 MTEPIDEYCV522 QQLKEFDGKS532 LVSVTKEGLE542 LPEDEEEKKK552 MEESKAKFEN 562 LCKLMKEILD572 KKVEKVTISN582 RLVSSPCCIV592 TSTYGWTANM602 ERIMKAQALR 612 DNSTMGYMMA622 KKHLEINPDH632 PIVETLRQKA642 EADKNDKAVK652 DLVVLLFETA 662 LLSSGFSLED672 PQTHSNRIYR682 MIKLGLGID
|
|||||
|
|
GLU42
3.260
ASN46
2.551
ALA47
3.477
ASP49
4.366
ALA50
2.902
LYS53
3.044
LEU86
4.998
ASP88
3.023
ILE91
4.772
GLY92
4.388
MET93
3.101
ASP97
4.768
ASN101
2.838
LEU102
3.665
LYS107
4.169
|
|||||
| PDB ID: 7Z38 Structure of the RAF1-HSP90-CDC37 complex (RHC-I) | ||||||
| Method | Electron microscopy | Resolution | 3.16 Å | Mutation | No | [2] |
| PDB Sequence |
EEVETFAFQA
19 EIAQLMSLII29 NTFYSNKEIF39 LRELISNASD49 ALDKIRYESL59 TDPSKLDSGK 69 ELKIDIIPNP79 QERTLTLVDT89 GIGMTKADLI99 NNLGTIAKSG109 TKAFMEALQA 119 GADISMIGQF129 GVGFYSAYLV139 AEKVVVITKH149 NDDEQYAWES159 SAGGSFTVRA 169 DHGEPIGRGT179 KVILHLKEDQ189 TEYLEERRVK199 EVVKKHSQFI209 GYPITLYLEK 219 EREKKKIKEK275 YIDQEELNKT285 KPIWTRNPDD295 ITQEEYGEFY305 KSLTNDWEDH 315 LAVKHFSVEG325 QLEFRALLFI335 PRRAPFDLFE345 NKKKKNNIKL355 YVRRVFIMDS 365 CDELIPEYLN375 FIRGVVDSED385 LPLNISREML395 QQSKILKVIR405 KNIVKKCLEL 415 FSELAEDKEN425 YKKFYEAFSK435 NLKLGIHEDS445 TNRRRLSELL455 RYHTSQSGDE 465 MTSLSEYVSR475 MKETQKSIYY485 ITGESKEQVA495 NSAFVERVRK505 RGFEVVYMTE 515 PIDEYCVQQL525 KEFDGKSLVS535 VTKEGLELPE545 DEEEKKKMEE555 SKAKFENLCK 565 LMKEILDKKV575 EKVTISNRLV585 SSPCCIVTST595 YGWTANMERI605 MKAQALRDNS 615 TMGYMMAKKH625 LEINPDHPIV635 ETLRQKAEAD645 KNDKAVKDLV655 VLLFETALLS 665 SGFSLEDPQT675 HSNRIYRMIK685 LGLGID
|
|||||
|
|
TYR33
4.837
GLU42
3.906
ASN46
2.626
ALA47
4.098
ASP49
3.965
ALA50
3.117
LYS53
3.986
ASP88
2.663
ILE91
4.212
GLY92
3.957
MET93
3.646
ASN101
3.326
LEU102
3.558
LYS107
3.967
|
|||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Atomic structure of Hsp90-Cdc37-Cdk4 reveals that Hsp90 traps and stabilizes an unfolded kinase. Science. 2016 Jun 24;352(6293):1542-7. | ||||
| REF 2 | Structure of the RAF1-HSP90-CDC37 complex reveals the basis of RAF1 regulation. Mol Cell. 2022 Sep 15;82(18):3438-3452.e8. | ||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.