Brand  (β version)

PDB ID: 3QTF

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Ligands
Code Name Style Show Link
05S (6s)-6,15,15,18-tetramethyl-17-oxo-2,3,4,5,6,7,14,15,16,17-decahydro-1h-8,12-(metheno)[1,4,9]triazacyclotetradecino[9,8-a]indole-9-carboxamide PoSSuM
DMS Dimethyl sulfoxide PoSSuM
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Structure summary

Code : 3QTF   PDBj   RCSB PDB   PDBe
Header : CHAPERONE/CHAPERONE INHIBITOR
Title : Design and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity
Release Data : 2011-04-06
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)
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., McBean, J.L., Dushin, R.G., Nittoli, T., Ingalls, C., Sutherland, A.G., Sonye, J.P., Eid, C.N., Golas, J., Liu, H., Boschelli, F., Hu, Y., Vogan, E.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 ( 1.5703 Å )
Citation :

Design and SAR of macrocyclic Hsp90 inhibitors with increased metabolic stability and potent cell-proliferation activity.

Zapf, C.W.,Bloom, J.D.,McBean, J.L.  et al.
(2011)  Bioorg.Med.Chem.Lett.  21 : 2278 - 2282

PubMed: 21420297
DOI: 10.1016/j.bmcl.2011.02.101

Reaction

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