Het-PDB Navi2 (PDB: 3RKZ)

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Ligands
Code	Name		Style	Show	Link
06T	(5r,6s)-3-(L-alanyl)-5,6,15,15,18-pentamethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1h-12,8-(metheno)[1,5,9]triazacyclotetradecino[1,2-a]indole-9-carboxamide				PoSSuM

Non-standard Residues
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Glycosylation
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Download interaction data: 3RKZ

Code :

3RKZ PDBj RCSB PDB PDBe

Header :

CHAPERONE/CHAPERONE INHIBITOR

Title :

Discovery of a stable macrocyclic O-aminobenzamide Hsp90 inhibitor capable of significantly decreasing tumor volume in a mouse xenograft model.

Release Data :

2011-07-13

Compound :

mol_id	molecule	chains	synonym
1	Heat shock protein HSP 90-alpha	A	Heat shock 86 kDa, HSP 86, HSP86, Renal carcinoma antigen NY-REN-38
	fragment: N-terminal domain, UNP RESIDUES 10-236 mutation: Delta 16

Source :

mol_id	organism_scientific	organism_common	expression_system
1	Homo sapiens (taxid:9606)	Human	Escherichia coli (taxid:469008)
	gene: HSP90A, HSP90AA1, HSPC1, HSPCA expression_system_strain: BL21(DE3) expression_system_vector_type: plasmid expression_system_plasmid: pET28A

Authors :

Zapf, C.W., Bloom, J.D., Li, Z., Dushin, R.G., Nittoli, T., Otteng, M., Nikitenko, A., Golas, J.M., Liu, H., Lucas, J., Boschelli, F., Vogan, E., Olland, A., Johnson, M., Levin, J.I.

Keywords :

Chaperone, ATP binding domain, ATP-binding, Nucleotide-binding, Phosphoprotein, Stress response, CHAPERONE-CHAPERONE INHIBITOR complex

Exp. method :

X-RAY DIFFRACTION ( 1.5693 Å )

Citation :

Discovery of a stable macrocyclic o-aminobenzamide Hsp90 inhibitor which significantly decreases tumor volume in a mouse xenograft model.

Zapf, C.W.,Bloom, J.D.,Li, Z. et al.
(2011) Bioorg.Med.Chem.Lett. 21 : 4602 - 4607

PubMed: 21715165
DOI: 10.1016/j.bmcl.2011.05.102

Chain :

UniProt :

P07900 (HS90A_HUMAN)

Reaction:	EC:	Evidence:
Reaction:	Physiological Direction:	Evidence:
ATP + H2O = ADP + H(+) + phosphate	3.6.4.10	PubMed:12526792
ATP + H2O = ADP + H(+) + phosphate	-	PubMed:12526792

PDB ID: 3RKZ

Hetero Atom Contents

Structure summary

Reaction