2VQO

Structure of HDAC4 catalytic domain with a gain-of-function muation 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	44438.3	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	252	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
Ala 25	Cys 669	engineered mutation
Ala 56	Cys 700	engineered mutation
Tyr 332	His 976	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	88876.6
Non-Polymers*	Number of molecules	11
	Total formula weight	1422.2
All*	Total formula weight	90298.8

*Water molecules are not included.