3MZ4

Crystal structure of D101L Mn2+ HDAC8 complexed with M344

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Histone deacetylase 8	polymer	389	43230.1	2	UniProt (Q9BY41) Pfam (PF00850)	Homo sapiens (human)	HD8
2	C, H (A, B)	MANGANESE (II) ION	non-polymer		54.9	2	Chemie (MN)
3	D, E, I, J (A, B)	POTASSIUM ION	non-polymer		39.1	4	Chemie (K)
4	F, K (A, B)	4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide	non-polymer		307.4	2	Chemie (B3N)
5	G, L (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6	M, N (A, B)	water	water		18.0	553	Chemie (HOH)

Sequence modifications

A, B: 1 - 377 (UniProt: Q9BY41)

PDB	External Database	Details
Leu 101	Asp 101	engineered mutation
Ile 378	-	expression tag
Glu 379	-	expression tag
Gly 380	-	expression tag
Arg 381	-	expression tag
Gly 382	-	expression tag
Ser 383	-	expression tag
His 384	-	expression tag
His 385	-	expression tag
His 386	-	expression tag
His 387	-	expression tag
His 388	-	expression tag
His 389	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	86460.1
Non-Polymers*	Number of molecules	10
	Total formula weight	1065.2
All*	Total formula weight	87525.4

*Water molecules are not included.