Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T18477 | Target Info | |||
| Target Name | Heat shock protein 90 alpha (HSP90A) | ||||
| Synonyms | Renal carcinoma antigen NY-REN-38; Lipopolysaccharide-associated protein 2; LPS-associated protein 2; LAP-2; Heat shock protein HSP 90-alpha; Heat shock 86 kDa; HSPCA; HSPC1; HSP90A; HSP86; HSP 86 | ||||
| Target Type | Successful Target | ||||
| Gene Name | HSP90AA1 | ||||
| Biochemical Class | Heat shock protein | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | [3H]alphabeta-meATP | Ligand Info | |||
| Canonical SMILES | C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=O)(O)O)O)O)O)N | ||||
| InChI | 1S/C11H18N5O12P3/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(27-11)1-26-29(19,20)4-30(21,22)28-31(23,24)25/h2-3,5,7-8,11,17-18H,1,4H2,(H,19,20)(H,21,22)(H2,12,13,14)(H2,23,24,25)/t5-,7-,8-,11-/m1/s1 | ||||
| InChIKey | CAWZRIXWFRFUQB-IOSLPCCCSA-N | ||||
| PubChem Compound ID | 91557 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 6GP8 Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112A in complex AMPCPP | ||||||
| Method | X-ray diffraction | Resolution | 1.75 Å | Mutation | Yes | [1] |
| PDB Sequence |
VPRGSHMPEE
4 TQTQDQPMEE14 EEVETFAFQA24 EIAQLMSLII34 NTFYSNKEIF44 LRELISNSSD 54 ALDKIRYESL64 TDPSKLDSGK74 ELHINLIPNK84 QDRTLTIVDT94 GIGMTKADLI 104 NNLGTIAASG114 TKAFMEALQA124 GADISMIGQF134 GVGFYSAYLV144 AEKVTVITKH 154 NDDEQYAWES164 SAGGSFTVRT174 DTGEPMGRGT184 KVILHLKEDQ194 TEYLEERRIK 204 EIVKKHSQFI214 GYPITLFVEK224 ER
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| PDB ID: 6GQR Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) in complex with AMPCPP | ||||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | No | [1] |
| PDB Sequence |
PRGSHMPEET
5 PMEEEEVETF20 AFQAEIAQLM30 SLIINTFYSN40 KEIFLRELIS50 NSSDALDKIR 60 YESLTDPSKL70 DSGKELHINL80 IPNKQDRTLT90 IVDTGIGMTK100 ADLINNLGTI 110 AKSGTKAFME120 ALQAGADISM130 IGQFGVGFYS140 AYLVAEKVTV150 ITKHNDDEQY 160 AWESSAGGSF170 TVRTDTGEPM180 GRGTKVILHL190 KEDQTEYLEE200 RRIKEIVKKH 210 SQFIGYPITL220 FVEK
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| PDB ID: 6GR1 Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R in complex with AMPCPP | ||||||
| Method | X-ray diffraction | Resolution | 2.05 Å | Mutation | Yes | [1] |
| PDB Sequence |
VPRGSHMPEE
4 TQTQDQPMEE14 EEVETFAFQA24 EIAQLMSLII34 NTFYSNKEIF44 LRELISNSSD 54 ALDKIRYESL64 TDPSKLDSGK74 ELHINLIPNK84 QDRTLTIVDT94 GIGMTKADLI 104 NNLGTIARSG114 TKAFMEALQA124 GADISMIGQF134 GVGFYSAYLV144 AEKVTVITKH 154 NDDEQYAWES164 SAGGSFTVRT174 DTGEPMGRGT184 KVILHLKEDQ194 TEYLEERRIK 204 EIVKKHSQFI214 GYPITLFVEK224 ER
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Probing the role of Arg97 in Heat shock protein 90 N-terminal domain from the parasite Leishmania braziliensis through site-directed mutagenesis on the human counterpart. Biochim Biophys Acta Proteins Proteom. 2018 Nov;1866(11):1190-1198. | ||||
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