7ZZP

Structure of HDAC2 complexed with an inhibitory ligand

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 2	polymer	498	56560.3	3	UniProt (Q92769) Pfam (PF00850)	Homo sapiens (human)	HD2,Protein deacylase HDAC2
2	D, EA, P (A, C, B)	ZINC ION	non-polymer		65.4	3	Chemie (ZN)
3	E, FA, Q (A, C, B)	CALCIUM ION	non-polymer		40.1	3	Chemie (CA)
4	F, GA, R (A, C, B)	SODIUM ION	non-polymer		23.0	3	Chemie (NA)
5	G, S, T, U (A, B)	TRIETHYLENE GLYCOL	non-polymer		150.2	4	Chemie (PGE)
6	H, I, IA, J, JA... (A, C, B)	1,2-ETHANEDIOL	non-polymer		62.1	9	Chemie (EDO)
7	AA, DA, LA, N (B, C, A)	6-methyl-4-oxidanyl-pyran-2-one	non-polymer		126.1	4	Chemie (KJ6)
8	BA, MA, O (B, C, A)	(2S)-2-HYDROXYPROPANOIC ACID	non-polymer		90.1	3	Chemie (2OP)
9	V, W (B)	TETRAETHYLENE GLYCOL	non-polymer		194.2	2	Chemie (PG4)
10	HA, X, Y (C, B)	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	3	Chemie (PEG)
11	CA (B)	2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID	non-polymer		207.3	1	Chemie (NHE)
12	KA (C)	DIMETHYL SULFOXIDE	non-polymer		78.1	1	Chemie (DMS)
13	NA, OA, PA (A, B, C)	water	water		18.0	838	Chemie (HOH)

Sequence modifications

A, B, C: 5 - 492 (UniProt: Q92769)

PDB	External Database	Details
Gly 493	-	expression tag
Ser 494	-	expression tag
Ser 495	-	expression tag
Gly 496	-	expression tag
His 497	-	expression tag
His 498	-	expression tag
His 499	-	expression tag
His 500	-	expression tag
His 501	-	expression tag
His 502	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	169680.9
Non-Polymers*	Number of molecules	36
	Total formula weight	3311.6
All*	Total formula weight	172992.5

*Water molecules are not included.