6ODC

Crystal structure of HDAC8 in complex with compound 30

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C (A, B, C)	Histone deacetylase 8	polymer	413	45975.9	3	UniProt (Q9BY41) Pfam (PF00850)	Homo sapiens (Human)	HD8
2	D, K, P (A, B, C)	ZINC ION	non-polymer		65.4	3	Chemie (ZN)
3	E, F, L, M, Q... (A, B, C)	POTASSIUM ION	non-polymer		39.1	6	Chemie (K)
4	G, N, S (A, B, C)	(2E)-3-[2-(3-cyclopentyl-5,5-dimethyl-2-oxoimidazolidin-1-yl)phenyl]-N-hydroxyprop-2-enamide	non-polymer		343.4	3	Chemie (M7Y)
5	H, I, J, O (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
6	T, U, V (A, B, C)	water	water		18.0	59	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Met -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
Gly -14	-	expression tag
Val -13	-	expression tag
Asp -12	-	expression tag
Leu -11	-	expression tag
Gly -10	-	expression tag
Thr -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Ser -2	-	expression tag
Asn -1	-	expression tag
Ala 0	-	expression tag
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	3
	Total formula weight	137927.7
Non-Polymers*	Number of molecules	16
	Total formula weight	1709.3
All*	Total formula weight	139637.1

*Water molecules are not included.