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 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
HS90A_HUMAN
Ligand General Information  Top
Ligand Name [3H]cAMP Ligand Info
Canonical SMILES C1C2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)O)OP(=O)(O1)O
InChI 1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKey IVOMOUWHDPKRLL-KQYNXXCUSA-N
PubChem Compound ID 6076
Drug Binding Sites of Target  Top
PDB ID: 6GPO      Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112A in complex with cAMP
Method X-ray diffraction Resolution 1.48 Å Mutation Yes [1]
PDB Sequence
LVPRGSHMPE
3
ETQTQDQPME
13
EEEVETFAFQ
23
AEIAQLMSLI
33
INTFYSNKEI
43

FLRELISNSS
53
DALDKIRYES
63
LTDPSKLDSG
73
KELHINLIPN
83
KQDRTLTIVD
93

TGIGMTKADL
103
INNLGTIAAS
113
GTKAFMEALQ
123
AGADISMIGQ
133
FGVGFYSAYL
143

VAEKVTVITK
153
HNDDEQYAWE
163
SSAGGSFTVR
173
TDTGEPMGRG
183
TKVILHLKED
193

QTEYLEERRI
203
KEIVKKHSQF
213
IGYPITLFVE
223
KER
Residue
Distance (Å)
ASN51
3.448
SER52
3.874
ASP54
4.700
ALA55
3.459
ASP93
2.918
ILE96
4.875
GLY97
4.183
Residue
Distance (Å)
MET98
3.506
ASN106
3.263
LEU107
3.617
GLY135
4.486
PHE138
4.751
THR184
3.454
PDB ID: 6GQU      Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) variant K112R in complex with cAMP
Method X-ray diffraction Resolution 1.72 Å Mutation Yes [1]
PDB Sequence
VPRGSHMPEE
4
TQTQDQPMEE
14
EEVETFAFQA
24
EIAQLMSLII
34
NTFYSNKEIF
44

LRELISNSSD
54
ALDKIRYESL
64
TDPSKLDSGK
74
ELHINLIPNK
84
QDRTLTIVDT
94

GIGMTKADLI
104
NNLGTIARSG
114
TKAFMEALQA
124
GADISMIGQF
134
GVGFYSAYLV
144

AEKVTVITKH
154
NDDEQYAWES
164
SAGGSFTVRT
174
DTGEPMGRGT
184
KVILHLKEDQ
194

TEYLEERRIK
204
EIVKKHSQFI
214
GYPITLFVEK
224
ER
Residue
Distance (Å)
ASN51
3.394
SER52
3.885
ASP54
4.834
ALA55
3.390
ASP93
2.778
ILE96
4.828
GLY97
4.207
Residue
Distance (Å)
MET98
3.487
ASN106
3.217
LEU107
3.381
ARG112
3.535
GLY135
4.303
PHE138
4.478
THR184
3.417
PDB ID: 6GPR      Structure of human Heat shock protein 90-alpha N-terminal domain (Hsp90-NTD) in complex with cAMP
Method X-ray diffraction Resolution 2.35 Å Mutation No [1]
PDB Sequence
PMEEEEVETF
20
AFQAEIAQLM
30
SLIINTFYSN
40
KEIFLRELIS
50
NSSDALDKIR
60

YESLTDPSKL
70
DSGKELHINL
80
IPNKQDRTLT
90
IVDTGIGMTK
100
ADLINNLGTI
110

AKSGTKAFME
120
ALQAGADISM
130
IGQFGVGFYS
140
AYLVAEKVTV
150
ITKHNDDEQY
160

AWESSAGGSF
170
TVRTDTGEPM
180
GRGTKVILHL
190
KEDQTEYLEE
200
RRIKEIVKKH
210

SQFIGYPITL
220
FVEK
Residue
Distance (Å)
ASN51
3.625
SER52
4.077
ASP54
4.843
ALA55
3.272
LYS58
4.666
ASP93
2.848
ILE96
3.759
GLY97
3.992
Residue
Distance (Å)
MET98
3.432
ASN106
3.755
LEU107
3.265
LYS112
3.791
GLY135
4.222
PHE138
4.656
THR184
3.133
VAL186
4.805
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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