9BHY

Structure of FbsH, an NRPS adenylation domain in the fimsbactin biosynthetic pathway bound to 2,3-dihydroxybenzoic acid.

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)	2,3-dihydroxybenzoate-AMP ligase	polymer	574	64313.9	2	UniProt (A0A5P1UDB1)	Acinetobacter baumannii
2	C, E (A, B)	2,3-DIHYDROXY-BENZOIC ACID	non-polymer		154.1	2	Chemie (DBH)
3	D, F (A, B)	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
4	G, H (A, B)	water	water		18.0	183	Chemie (HOH)

Sequence modifications

A, B: 1 - 539 (UniProt: A0A5P1UDB1)

PDB	External Database	Details
Met -34	-	initiating methionine
Gly -33	-	expression tag
Ser -32	-	expression tag
Ser -31	-	expression tag
His -30	-	expression tag
His -29	-	expression tag
His -28	-	expression tag
His -27	-	expression tag
His -26	-	expression tag
His -25	-	expression tag
Ser -24	-	expression tag
Ser -23	-	expression tag
Gly -22	-	expression tag
Leu -21	-	expression tag
Val -20	-	expression tag
Pro -19	-	expression tag
Arg -18	-	expression tag
Gly -17	-	expression tag
Ser -16	-	expression tag
His -15	-	expression tag
Met -14	-	expression tag
Ala -13	-	expression tag
Ser -12	-	expression tag
Met -11	-	expression tag
Thr -10	-	expression tag
Gly -9	-	expression tag
Gly -8	-	expression tag
Gln -7	-	expression tag
Gln -6	-	expression tag
Met -5	-	expression tag
Gly -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
Ile 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	128627.9
Non-Polymers*	Number of molecules	4
	Total formula weight	432.4
All*	Total formula weight	129060.2

*Water molecules are not included.