4QA6

Crystal structure of I243N/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 (A, B)	Histone deacetylase 8	polymer	389	43216.9	2	UniProt (Q9BY41) Pfam (PF00850)	Homo sapiens (human)	HD8
2	C, D (C, D)	tetrapeptide substrate	polymer	5	679.8	2
3	E, I (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	F, G, J, K (A, B)	POTASSIUM ION	non-polymer		39.1	4	Chemie (K)
5	H, N (A, D)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
6	L, M (C, D)	7-AMINO-4-METHYL-CHROMEN-2-ONE	non-polymer		175.2	2	Chemie (MCM)
7	O, P, Q, R (A, B, C, D)	water	water		18.0	385	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Asn 243	Ile 243	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	87793.5
Non-Polymers*	Number of molecules	10
	Total formula weight	821.8
All*	Total formula weight	88615.3

*Water molecules are not included.