4QA5

Crystal structure of A188T/Y306F HDAC8 in complex with a tetrapeptide substrate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Histone deacetylase 8	polymer	389	43246.0	2	UniProt (Q9BY41) Pfam (PF00850) In PDB	Homo sapiens (human)	HD8
2	C, D	tetrapeptide substrate	polymer	5	679.8	2
3	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	A, B	POTASSIUM ION	non-polymer		39.1	4	Chemie (K)
5	A	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
6	A	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
7	C, D	7-AMINO-4-METHYL-CHROMEN-2-ONE	non-polymer		175.2	2	Chemie (MCM)
8		water	water		18.0	626	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Thr 188	Ala 188	engineered mutation
Phe 306	Tyr 306	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	87851.7
Non-Polymers*	Number of molecules	10
	Total formula weight	754.0
All*	Total formula weight	88605.6

*Water molecules are not included.