5TYM

alpha-esterase-7 in complex with [3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Carboxylic ester hydrolase	polymer	577	66412.9	1	UniProt (Q25252) Pfam (PF00135) In PDB	Lucilia cuprina (Green bottle fly)
2	A	[3-bromo-5-(pyrrolidin-1-yl)phenyl]borinic acid	non-polymer		253.9	1	Chemie (7NS)
3		water	water		18.0	117	Chemie (HOH)

Sequence modifications

A: 1 - 570 (UniProt: Q25252)

PDB	External Database	Details
Met -6	-	initiating methionine
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Ala 83	Asp 83	engineered mutation
Glu 530	Lys 530	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	66412.9
Non-Polymers*	Number of molecules	1
	Total formula weight	253.9
All*	Total formula weight	66666.9

*Water molecules are not included.