7POL

Crystal structure of profragilysin-3 (proBFT-3) from Bacteroides fragilis in complex with flumequine

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	BFT-3	polymer	402	45139.3	2	UniProt (O86049) Pfam (PF16376) Pfam (PF13583)	Bacteroides fragilis	Metalloprotease,Metalloprotease enterotoxin
2	C (A)	ZINC ION	non-polymer		65.4	1	Chemie (ZN)
3	D, E, M, N (A, B)	(12~{R})-7-fluoranyl-12-methyl-4-oxidanylidene-1-azatricyclo[7.3.1.0^{5,13}]trideca-2,5(13),6,8-tetraene-3-carboxylic acid	non-polymer		261.2	4	Chemie (7X9)
4	F, G (A)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5	H, I, J, O (A, B)	PROLINE	non-polymer		115.1	4	Chemie (PRO)
6	K, L, P, Q, R... (A, B)	DIMETHYL SULFOXIDE	non-polymer		78.1	6	Chemie (DMS)
7	T, U (A, B)	water	water		18.0	591	Chemie (HOH)

Sequence modifications

A, B: 18 - 397 (UniProt: O86049)

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

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	90278.6
Non-Polymers*	Number of molecules	17
	Total formula weight	2110.6
All*	Total formula weight	92389.2

*Water molecules are not included.