Target Binding Site Detail

Content Navigation (  All   None )                                      
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 6-Methyladenine Ligand Info
Canonical SMILES CNC1=NC=NC2=C1NC=N2
InChI 1S/C6H7N5/c1-7-5-4-6(10-2-8-4)11-3-9-5/h2-3H,1H3,(H2,7,8,9,10,11)
InChIKey CKOMXBHMKXXTNW-UHFFFAOYSA-N
PubChem Compound ID 67955
Drug Binding Sites of Target  Top
PDB ID: 7S99      Room-temperature Human Hsp90a-NTD bound to N6M
Method X-ray diffraction Resolution 1.52 Å Mutation No [1]
PDB Sequence
EVETFAFQAE
25
IAQLMSLIIN
35
TFYSNKEIFL
45
RELISNSSDA
55
LDKIRYESLT
65

DPSKLDSGKE
75
LHINLIPNKQ
85
DRTLTIVDTG
95
IGMTKADLIN
105
NLGTIAKSGT
115

KAFMEALQAG
125
ADISMIGQFG
135
VGFYSAYLVA
145
EKVTVITKHN
155
DDEQYAWESS
165

AGGSFTVRTD
175
TGEPMGRGTK
185
VILHLKEDQT
195
EYLEERRIKE
205
IVKKHSQFIG
215

YPITLFVEK
Residue
Distance (Å)
LEU48
4.230
ASN51
2.908
SER52
2.878
ALA55
2.634
LYS58
4.997
ASP93
1.940
ILE96
3.279
GLY97
3.220
MET98
2.598
Residue
Distance (Å)
ASN106
4.936
LEU107
2.183
GLY108
3.974
THR109
3.602
PHE138
3.081
VAL150
4.859
THR184
2.540
VAL186
3.572
PDB ID: 7S98      Cryogenic Human Hsp90a-NTD bound to N6M
Method X-ray diffraction Resolution 1.90 Å Mutation No [1]
PDB Sequence
EVETFAFQAE
25
IAQLMSLIIN
35
TFYSNKEIFL
45
RELISNSSDA
55
LDKIRYESLT
65

DPSKLDSGKE
75
LHINLIPNKQ
85
DRTLTIVDTG
95
IGMTKADLIN
105
NLGTIAKSGT
115

KAFMEALQAG
125
ADISMIGQFG
135
VGFYSAYLVA
145
EKVTVITKHN
155
DDEQYAWESS
165

AGGSFTVRTD
175
TGEPMGRGTK
185
VILHLKEDQT
195
EYLEERRIKE
205
IVKKHSQFIG
215

YPITLFVEKE
225
Residue
Distance (Å)
LEU48
4.201
ASN51
2.948
SER52
2.954
ALA55
2.909
ASP93
2.042
ILE96
3.604
GLY97
3.220
MET98
2.626
Residue
Distance (Å)
ASN106
4.968
LEU107
2.221
GLY108
3.998
THR109
3.569
PHE138
3.128
THR184
2.731
VAL186
3.730
References  Top
REF 1 Water Networks Repopulate Protein-Ligand Interfaces with Temperature. Angew Chem Int Ed Engl. 2022 Aug 1;61(31):e202112919.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.