6IYK

The structure of EntE with 2-nitrobenzoyl adenylate analog

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 component of enterobactin synthase multienzyme complex	polymer	556	61333.2	2	UniProt (A0A0E1LUI6) Pfam (PF00501) Pfam (PF13193) UniProt (by SIFTS) (P10378)	Escherichia coli 1303
2	C, D (A, B)	5'-O-[(2-nitrobenzene-1-carbonyl)sulfamoyl]adenosine	non-polymer		495.4	2	Chemie (B1U)
3	E, F (A, B)	water	water		18.0	188	Chemie (HOH)

Sequence modifications

A, B: 1 - 536 (UniProt: A0A0E1LUI6)

PDB	External Database	Details
Gly 235	Asn 235	engineered mutation
Thr 537	-	expression tag
Asn 538	-	expression tag
Ser 539	-	expression tag
Ser 540	-	expression tag
Ser 541	-	expression tag
Val 542	-	expression tag
Asp 543	-	expression tag
Lys 544	-	expression tag
Leu 545	-	expression tag
Ala 546	-	expression tag
Ala 547	-	expression tag
Ala 548	-	expression tag
Leu 549	-	expression tag
Glu 550	-	expression tag
His 551	-	expression tag
His 552	-	expression tag
His 553	-	expression tag
His 554	-	expression tag
His 555	-	expression tag
His 556	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	122666.5
Non-Polymers*	Number of molecules	2
	Total formula weight	990.8
All*	Total formula weight	123657.3

*Water molecules are not included.