5G3W

Structure of HDAC like protein from Bordetella Alcaligenes in complex with the photoswitchable inhibitor CEW65

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, D	HISTONE DEACETYLASE-LIKE AMIDOHYDROLASE	polymer	374	40122.3	4	UniProt (Q70I53) Pfam (PF00850) In PDB	BORDETELLA	HDAC-LIKE AMIDOHYDROLASE, HDAH
2	D, A, B, C	ZINC ION	non-polymer		65.4	4	Chemie (ZN)
3	D, A, B, C	POTASSIUM ION	non-polymer		39.1	8	Chemie (K)
4	D, A, B, C	DI(HYDROXYETHYL)ETHER	non-polymer		106.1	11	Chemie (PEG)
5	D, A, B, C	(2E)-N-hydroxy-3-{4-[(E)-phenyldiazenyl]phenyl}prop-2-enamide	non-polymer		267.3	4	Chemie (C65)
6	B, C	PENTAETHYLENE GLYCOL	non-polymer		238.3	2	Chemie (1PE)
7		water	water		18.0	1791	Chemie (HOH)

Sequence modifications

A, B, C, D: 2 - 369 (UniProt: Q70I53)

PDB	External Database	Details
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
His 1	-	expression tag
Pro 251	His 251	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	160489.1
Non-Polymers*	Number of molecules	29
	Total formula weight	3287.4
All*	Total formula weight	163776.6

*Water molecules are not included.