6WYP

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) K330L mutant complexed with SAHA-BPyne

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Histone deacetylase 6	polymer	380	42036.6	1	UniProt (F8W4B7) Pfam (PF00850) In PDB	Danio rerio (Zebrafish)
2	A	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	A	POTASSIUM ION	non-polymer		39.1	2	Chemie (K)
4	A	N~1~-(4-{4-[(hex-5-ynoyl)amino]benzene-1-carbonyl}phenyl)-N~8~-hydroxyoctanediamide	non-polymer		477.6	1	Chemie (UFS)
5		water	water		18.0	47	Chemie (HOH)

Sequence modifications

A: 61 - 419 (UniProt: F8W4B7)

PDB	External Database	Details
Met 40	-	initiating methionine
Gly 41	-	expression tag
Ser 42	-	expression tag
Ser 43	-	expression tag
His 44	-	expression tag
His 45	-	expression tag
His 46	-	expression tag
His 47	-	expression tag
His 48	-	expression tag
His 49	-	expression tag
Ser 50	-	expression tag
Ser 51	-	expression tag
Gly 52	-	expression tag
Leu 53	-	expression tag
Val 54	-	expression tag
Pro 55	-	expression tag
Arg 56	-	expression tag
Gly 57	-	expression tag
Ser 58	-	expression tag
His 59	-	expression tag
Met 60	-	expression tag
Leu 330	Lys 330	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	42036.6
Non-Polymers*	Number of molecules	4
	Total formula weight	621.2
All*	Total formula weight	42657.8

*Water molecules are not included.