6GI2

Crystal structure of the ferric enterobactin esterase (pfeE) mutant(S157A) from Pseudomonas aeruginosa in complex with Tris-catechol vector

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Ferric enterobactin esterase	polymer	282	30631.7	2	UniProt (Q9I0F2) Pfam (PF00756) In PDB	Pseudomonas aeruginosa
2	A, B	FE (III) ION	non-polymer		55.8	2	Chemie (FE)
3	A, B	~{N}-[2-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-3-(prop-2-ynylamino)propyl]amino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide	non-polymer		692.6	2	Chemie (8SW)
4	A, B	NITRATE ION	non-polymer		62.0	2	Chemie (NO3)
5	A, B	1,2-ETHANEDIOL	non-polymer		62.1	4	Chemie (EDO)
6		water	water		18.0	260	Chemie (HOH)

Sequence modifications

A, B: 2 - 279 (UniProt: Q9I0F2)

PDB	External Database	Details
Gly -2	-	expression tag
Ala -1	-	expression tag
Met 0	-	expression tag
Asn 1	-	expression tag
Ala 157	Ser 182	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	61263.5
Non-Polymers*	Number of molecules	10
	Total formula weight	1869.2
All*	Total formula weight	63132.7

*Water molecules are not included.