Brand  (β version)

PDB ID: 5ZR3

Hetero Atom Contents

  The number of atoms exceeds 100,000.
  So, it can not be displayed here.

Select unit:

Select hetatm:   

close
information
centroid:
interaction residue:

Select chain:   Sequence  

Data format:   

Color scheme of protein:

Ligands
Code Name Style Show Link
9J0 3-methyl-4-{4-[4-(1-methyl-1h-pyrazol-4-yl)-1h-imidazol-1-yl]-3-(propan-2-yl)-1h-pyrazolo[3,4-B]pyridin-1-yl}benzamide PoSSuM
Non-standard Residues
Code Name Show
Glycosylation
Code Name Emphasize
Modification
Code Name Show

Structure summary

Code : 5ZR3   PDBj   RCSB PDB   PDBe
Header : CHAPERONE
Title : Crystal structure of Hsp90-alpha N-terminal domain in complex with 4-(3-isopropyl-4-(4-(1-methyl-1H-pyrazol-4-yl)-1H-imidazol-1-yl)-1H-pyrazolo[3,4-B]pyridin-1-yl)-3-methylbenzamide
Release Data : 2019-01-02
Compound :
mol_id molecule chains synonym
1 Heat shock protein HSP 90-alpha A,C,E,G Heat shock 86 kDa,HSP86,Lipopolysaccharide-associated protein 2,LPS-associated protein 2,Renal carcinoma antigen NY-REN-38
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli BL21(DE3)  (taxid:469008)
gene: HSP90AA1, HSP90A, HSPC1, HSPCA
expression_system_strain: BL21(DE3)
expression_system_vector_type: plasmid
expression_system_plasmid: pRSET A
Authors : Uno, T., Chong, K.T., Suzuki, T.
Keywords : Inhibitor, Complex, CHAPERONE
Exp. method : X-RAY DIFFRACTION ( 2.5000 Å )
Citation :

Discovery of 3-Ethyl-4-(3-isopropyl-4-(4-(1-methyl-1 H-pyrazol-4-yl)-1 H-imidazol-1-yl)-1 H-pyrazolo[3,4- b]pyridin-1-yl)benzamide (TAS-116) as a Potent, Selective, and Orally Available HSP90 Inhibitor.

Uno, T.,Kawai, Y.,Yamashita, S.  et al.
(2019)  J. Med. Chem.  62 : 531 - 551

PubMed: 30525599
DOI: 10.1021/acs.jmedchem.8b01085

Reaction

Chain : A, C, E, G
UniProt : P07900 (HS90A_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
ATP + H2O = ADP + H(+) + phosphate 3.6.4.10 PubMed:12526792
-