4D8A

Crystal structure of B. anthracis DHPS with compound 21

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Dihydropteroate synthase	polymer	297	32883.7	2	UniProt (C3P9L8) Pfam (PF00809) UniProt (by SIFTS) (Q81VW8) In PDB	Bacillus anthracis (anthrax)
2	A	LYSINE	non-polymer		147.2	1	Chemie (LYS)
3	A, B	SULFATE ION	non-polymer		96.1	8	Chemie (SO4)
4	A, B	methyl (3R)-3-(7-amino-4,5-dioxo-1,4,5,6-tetrahydropyrimido[4,5-c]pyridazin-3-yl)butanoate	non-polymer		279.3	2	Chemie (0HY)
5		water	water		18.0	22	Chemie (HOH)

Sequence modifications

A, B: 1 - 277 (UniProt: C3P9L8)

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
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	65767.5
Non-Polymers*	Number of molecules	11
	Total formula weight	1474.2
All*	Total formula weight	67241.7

*Water molecules are not included.