3RG2

Structure of a two-domain NRPS fusion protein containing the EntE adenylation domain and EntB aryl-carrier protein from enterobactin biosynthesis

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C, D, E... (A, B, C, D, E...)	Enterobactin synthase component E (entE), 2,3-dihydro-2,3-dihydroxybenzoate synthetase, isochroismatase (Entb)	polymer	617	68329.4	10	UniProt (P10378) UniProt (Q1REW7) Pfam (PF00501) Pfam (PF13193) Pfam (PF00550) UniProt (by SIFTS) (P0ADI4)	Escherichia coli	Enterochelin synthase E, 2,3-dihydroxybenzoate-AMP ligase, Dihydroxybenzoic acid-activating enzyme, S-dihydroxybenzoyltransferase
2	AA, GA, K, LA, OA... (D, E, A, F, G...)	5'-deoxy-5'-({[2-(2-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine	non-polymer		450.5	10	Chemie (SVS)
3	AB, BA, HA, L, MA... (J, D, E, A, F...)	4'-PHOSPHOPANTETHEINE	non-polymer		358.3	10	Chemie (PNS)
4	BB, CA, CB, DA, EA... (J, D, E, A, F...)	IODIDE ION	non-polymer		126.9	25	Chemie (IOD)

Sequence modifications

A, B, C, D, E, F, G, H, I, J: 1 - 536 (UniProt: P10378)

PDB	External Database	Details
Gly -1	-	expression tag
His 0	-	expression tag
Gly 537	-	linker
Arg 538	-	linker
Ala 539	-	linker
Ser 540	-	linker

A, B, C, D, E, F, G, H, I, J: 541 - 615 (UniProt: Q1REW7)

Contents of the asymmetric unit

Polymers	Number of chains	10
	Total formula weight	683294.4
Non-Polymers*	Number of molecules	45
	Total formula weight	11260.8
All*	Total formula weight	694555.1

*Water molecules are not included.