Brand  (β version)

color scheme of protein:

hetatm:

x
information
centroid:
interaction residue:

chain:

Ligands
Code Name Link
C4T ~{N}-[(4-chlorophenyl)methyl]-~{N}-methyl-6-oxidanyl-3-(phenylmethyl)-1~{H}-indazole-5-carboxamide
DMS Dimethyl sulfoxide
SO4 Sulfate ion
Code : 6EY8
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 ( 2.1600 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 : -