6WYQ

Crystal structure of Danio rerio histone deacetylase 6 catalytic domain 1 (CD1) K330L mutant complexed with 4-iodo-SAHA

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 6	polymer	380	42036.6	2	UniProt (F8W4B7) Pfam (PF00850)	Danio rerio (Zebrafish)
2	C, G (A, B)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	D, E, H, I (A, B)	POTASSIUM ION	non-polymer		39.1	4	Chemie (K) PubChem (813)
4	F, J (A, B)	N~1~-hydroxy-N~8~-(4-iodophenyl)octanediamide	non-polymer		390.2	2	Chemie (UFJ) PubChem (46205754)
5	K, L (A, B)	water	water		18.0	268	Chemie (HOH)

Sequence modifications

A, B: 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	2
	Total formula weight	84073.2
Non-Polymers*	Number of molecules	8
	Total formula weight	1067.6
All*	Total formula weight	85140.8

*Water molecules are not included.