4RN0

Crystal structure of S39D HDAC8 in complex with a largazole analogue.

Summary for 4RN0

Entry DOI	10.2210/pdb4rn0/pdb
Related	4RN1 4RN2
Descriptor	Histone deacetylase 8, (5R,8S,11S)-5-methyl-8-(propan-2-yl)-11-[(1E)-4-sulfanylbut-1-en-1-yl]-3,17-dithia-7,10,14,19,20-pentaazatricyclo[14.2.1.1~2,5~]icosa-1(18),2(20),16(19)-triene-6,9,13-trione, ZINC ION, ... (7 entities in total)
Functional Keywords	metalloenzyme, hydrolase, histone deacetylase, enzyme inhibitor complex, largazole analogue, thiol inhibitor, arginase/deacetylase fold, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Nucleus: Q9BY41
Total number of polymer chains	2
Total formula weight	87959.75
Authors	Decroos, C.,Christianson, D.W. (deposition date: 2014-10-22, release date: 2015-04-08, Last modification date: 2023-09-20)
Primary citation	Decroos, C.,Clausen, D.J.,Haines, B.E.,Wiest, O.,Williams, R.M.,Christianson, D.W. Variable Active Site Loop Conformations Accommodate the Binding of Macrocyclic Largazole Analogues to HDAC8. Biochemistry, 54:2126-2135, 2015 Cited by PubMed: 25793284 DOI: 10.1021/acs.biochem.5b00010 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.761 Å)

Structure validation