2VQQ

Structure of HDAC4 catalytic domain (a double cysteine-to-alanine mutant) bound to a trifluoromethylketone inhbitor

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	HISTONE DEACETYLASE 4	polymer	413	44413.3	2	UniProt (P56524) Pfam (PF00850) In PDB	HOMO SAPIENS (HUMAN)	HD4
2	A, B	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
3	A, B	POTASSIUM ION	non-polymer		39.1	4	Chemie (K)
4	A, B	2,2,2-TRIFLUORO-1-{5-[(3-PHENYL-5,6-DIHYDROIMIDAZO[1,2-A]PYRAZIN-7(8H)-YL)CARBONYL]THIOPHEN-2-YL}ETHANE-1,1-DIOL	non-polymer		423.4	2	Chemie (TFG)
5	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
6		water	water		18.0	609	Chemie (HOH)

Sequence modifications

A, B: 1 - 3 (PDB: 2VQQ)
A, B: 4 - 413 (UniProt: P56524)

PDB	External Database	Details
Ala 25	Cys 669	engineered mutation
Ala 56	Cys 700	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	88826.5
Non-Polymers*	Number of molecules	11
	Total formula weight	1422.2
All*	Total formula weight	90248.8

*Water molecules are not included.