6P2T

BshB from Bacillus subtilis complexed with citrate

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	N-acetyl-alpha-D-glucosaminyl L-malate deacetylase 1	polymer	256	28686.7	1	UniProt (P42981) Pfam (PF02585)	Bacillus subtilis (strain 168)	GlcNAc-Mal deacetylase 1
2	B (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	C, D (A)	CITRIC ACID	non-polymer		192.1	2	Chemie (CIT)
4	E (A)	SODIUM ION	non-polymer		23.0	1	Chemie (NA)
5	F (A)	water	water		18.0	164	Chemie (HOH)

Sequence modifications

A: 1 - 236 (UniProt: P42981)

PDB	External Database	Details
Met -19	-	expression tag
Gly -18	-	expression tag
Ser -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Glu -7	-	expression tag
Asn -6	-	expression tag
Leu -5	-	expression tag
Tyr -4	-	expression tag
Phe -3	-	expression tag
Gln -2	-	expression tag
Gly -1	-	expression tag
His 0	-	expression tag
Arg 172	Gln 172	conflict

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	28686.7
Non-Polymers*	Number of molecules	4
	Total formula weight	472.6
All*	Total formula weight	29159.4

*Water molecules are not included.