5THT

Crystal Structure of G303A HDAC8 in complex 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, C, D (A, B, C, D)	Histone deacetylase 8	polymer	389	43246.0	4	UniProt (Q9BY41) Pfam (PF00850)	Homo sapiens (Human)	HD8
2	E, LA, O, X (A, D, B, C)	4-(dimethylamino)-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide	non-polymer		307.4	4	Chemie (B3N)
3	F, MA, P, Y (A, D, B, C)	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
4	AA, G, H, NA, OA... (C, A, D, B)	POTASSIUM ION	non-polymer		39.1	8	Chemie (K)
5	BA, CA, DA, EA, FA... (C, A, D, B)	1,2-ETHANEDIOL	non-polymer		62.1	27	Chemie (EDO)
6	VA, WA, XA, YA (A, B, C, D)	water	water		18.0	210	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Ala 303	Gly 303	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	4
	Total formula weight	172984.1
Non-Polymers*	Number of molecules	43
	Total formula weight	3479.8
All*	Total formula weight	176463.9

*Water molecules are not included.