Binding Site Information of Target

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Target General Information
Drug Binding Sites of Target
References
Target General Information  Top
Target ID T81311 Target Info
Target Name Endoplasmin (HSP90B1)
Synonyms gp96 homolog; Tumor rejection antigen 1; TRA1; Heat shock protein 90 kDa beta member 1; GRP94; GRP-94; 94 kDa glucoseregulated protein; 94 kDa glucose-regulated protein
Target Type Clinical trial Target
Gene Name HSP90B1
Biochemical Class Heat shock protein
UniProt ID
ENPL_HUMAN
Drug Binding Sites of Target  Top
Ligand Name: 2-Fluoro-6-[(3s)-Tetrahydrofuran-3-Ylamino]-4-(3,6,6-Trimethyl-4-Oxo-4,5,6,7-Tetrahydro-1h-Indol-1-Yl)benzamide Ligand Info
Structure Description Correlation between chemotype-dependent binding conformations of HSP90 alpha/beta and isoform selectivity PDB:4NH9
Method X-ray diffraction Resolution 2.77 Å Mutation No [1]
PDB Sequence
SEKFAFQAEV
82
NRMMKLIINS
92
LYKNKEIFLR
102
ELISNASDAL
112
DKIRLISLTD
122

ENALSGNEEL
132
TVKIKCDKEK
142
NLLHVTDTGV
152
GMTREELVKN
162
FLNKMTEAQE
183

DGQSTSELIG
193
QFGVGFYSAF
203
LVADKVIVTS
213
KHNNDTQHIW
223
ESDSNEFSVI
233

ADPRGNTLGR
243
GTTITLVLKE
253
EASDYLELDT
263
IKNLVKKYSQ
273
FINFPIYVWS
283

SKTEKTVWDW
333
ELMN
Residue
Distance (Å)
ASN107
3.266
ALA108
3.507
ASP110
4.163
ALA111
3.163
LYS114
3.856
ASP149
3.140
VAL152
4.010
GLY153
4.520
MET154
3.825
GLU158
3.702
Residue
Distance (Å)
LEU159
3.911
ASN162
3.443
GLY196
4.350
VAL197
4.379
PHE199
3.704
TYR200
2.728
VAL211
3.844
TRP223
3.496
THR245
3.294
ILE247
3.238
References  Top
REF 1 Correlation between chemotype-dependent binding conformations of HSP90Alpha/beta and isoform selectivity-Implications for the structure-based design of HSP90Alpha/beta selective inhibitors for treating neurodegenerative diseases. Bioorg Med Chem Lett. 2014 Jan 1;24(1):204-8.

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