5EDU

Crystal structure of human histone deacetylase 6 catalytic domain 2 in complex with trichostatin A

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	B, A	Maltose-binding periplasmic protein, Histone deacetylase 6 chimera	polymer	745	81519.4	2	UniProt (P0AEY0) UniProt (Q9UBN7) Pfam (PF01547) Pfam (PF00850) UniProt (by SIFTS) (P0AEX9) In PDB	Escherichia coli	MBP, MMBP, Maltodextrin-binding protein, HD6
2	C, D	alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose	branched		342.3	2	In PDB BIRD (PRD_900001) GlyTouCan (G07411ON)		alpha-maltose
3	B, A	TRICHOSTATIN A	non-polymer		302.4	2	Chemie (TSN)
4	B, A	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
5	B, A	POTASSIUM ION	non-polymer		39.1	4	Chemie (K)
6		water	water		18.0	58	Chemie (HOH)

Sequence modifications

B, A: 109 - 474 (UniProt: P0AEY0)

PDB	External Database	Details
Met 91	-	expression tag
Gly 92	-	expression tag
Ser 93	-	expression tag
Ser 94	-	expression tag
His 95	-	expression tag
His 96	-	expression tag
His 97	-	expression tag
His 98	-	expression tag
His 99	-	expression tag
His 100	-	expression tag
Glu 101	-	expression tag
Asn 102	-	expression tag
Leu 103	-	expression tag
Tyr 104	-	expression tag
Phe 105	-	expression tag
Gln 106	-	expression tag
Gly 107	-	expression tag
Ser 108	-	expression tag
Ala 467	Glu 385	conflict
Ala 470	Lys 388	conflict
Ala 471	Asp 389	conflict
Asn 475	-	linker
Ala 476	-	linker
Ala 477	-	linker
Ala 478	-	linker

B, A: 479 - 835 (UniProt: Q9UBN7)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	163038.7
Branched	Number of molecules	2
	Total formula weight	684.6
Non-Polymers*	Number of molecules	8
	Total formula weight	891.9
All*	Total formula weight	164615.2

*Water molecules are not included.