8PI1

Bicyclic INCYPRO Pseudomonas fluorescens esterase

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...	Arylesterase	polymer	280	31075.2	15	UniProt (P22862) Pfam (PF00561) In PDB	Pseudomonas fluorescens	Aryl-ester hydrolase,Carboxylic acid perhydrolase,PFE,Putative bromoperoxidase
2	G, J, A, D, M	N-[2-[3,5-bis[2-(2-iodanylethanoylamino)ethanoyl]-1,3,5-triazinan-1-yl]-2-oxidanylidene-ethyl]-2-iodanyl-ethanamide	non-polymer		762.1	10	Chemie (ZIZ)
3	F, G, H, I, J...	GLYCEROL	non-polymer		92.1	25	Chemie (GOL)
4		water	water		18.0	533	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L, M, N, O: 1 - 272 (UniProt: P22862)

PDB	External Database	Details
Cys 3	Thr 3	engineered mutation
Cys 174	Gln 174	engineered mutation
Gly 273	-	expression tag
Ser 274	-	expression tag
His 275	-	expression tag
His 276	-	expression tag
His 277	-	expression tag
His 278	-	expression tag
His 279	-	expression tag
His 280	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	15
	Total formula weight	466128.0
Non-Polymers*	Number of molecules	35
	Total formula weight	9923.1
All*	Total formula weight	476051.1

*Water molecules are not included.