5DC6

Crystal structure of D176N-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	43215.0	2	UniProt (Q9BY41) Pfam (PF00850)	Homo sapiens (Human)	HD8
2	C, D (C, D)	Fluor-de-Lys tetrapeptide assay substrate	polymer	6	837.0	2		synthetic construct
3	E, H (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
4	F, I (A, B)	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
5	G, J, K (A, B, D)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
6	L, M, N, O (A, B, C, D)	water	water		18.0	591	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Asn 176	Asp 176	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	88104.0
Non-Polymers*	Number of molecules	7
	Total formula weight	485.3
All*	Total formula weight	88589.3

*Water molecules are not included.