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Ligands
Code Name Style Show Link
C3Z 3-(phenylmethyl)-5-(2-phenylpyrazol-3-yl)-2~{H}-indazol-6-ol
SO4 Sulfate ion
Non-standard Residues
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Glycosylation
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Code : 6EYB   PDBj   RCSB PDB   PDBe
Header : CHAPERONE
Title : Estimation of relative drug-target residence times by random acceleration molecular dynamics simulation
Release Data : 2018-05-30
Compound :
mol_id molecule chains synonym
1 Heat shock protein HSP 90-alpha A 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  (taxid:562)
gene: HSP90AA1, HSP90A, HSPC1, HSPCA
Authors : Musil, D., Lehmann, M., Buchstaller, H.-P.
Keywords : CHAPERONE PROTEIN, ATP BINDING, CHAPERONE
Exp. method : X-RAY DIFFRACTION ( 1.9000 Å )
Citation :

Estimation of Drug-Target Residence Times by tau-Random Acceleration Molecular Dynamics Simulations.

Kokh, D.B.,Amaral, M.,Bomke, J.  et al.
(2018)  J Chem Theory Comput  14 : 3859 - 3869

PubMed: 29768913
DOI: 10.1021/acs.jctc.8b00230

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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