6HSG

Crystal structure of Schistosoma mansoni HDAC8 H292M mutant complexed with NCC-149

Summary for 6HSG

Entry DOI	10.2210/pdb6hsg/pdb
Descriptor	Histone deacetylase, ZINC ION, POTASSIUM ION, ... (7 entities in total)
Functional Keywords	epigenetics, histone deacetylase, hdac8, selective inhibitor, pathogen, hydrolase
Biological source	Schistosoma mansoni (Blood fluke)
Total number of polymer chains	4
Total formula weight	206071.48
Authors	Shaik, T.B.,Marek, M.,Romier, C. (deposition date: 2018-10-01, release date: 2018-10-31, Last modification date: 2018-11-28)
Primary citation	Marek, M.,Shaik, T.B.,Heimburg, T.,Chakrabarti, A.,Lancelot, J.,Ramos-Morales, E.,Da Veiga, C.,Kalinin, D.,Melesina, J.,Robaa, D.,Schmidtkunz, K.,Suzuki, T.,Holl, R.,Ennifar, E.,Pierce, R.J.,Jung, M.,Sippl, W.,Romier, C. Characterization of Histone Deacetylase 8 (HDAC8) Selective Inhibition Reveals Specific Active Site Structural and Functional Determinants. J. Med. Chem., 61:10000-10016, 2018 Cited by PubMed: 30347148 DOI: 10.1021/acs.jmedchem.8b01087 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.846 Å)

Structure validation