5TYK

alpha-esterase-7 in complex with 3-chloro-4-[(2-fluorophenyl)methoxy]phenylborinic acid

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Carboxylic ester hydrolase	polymer	577	66388.8	1	UniProt (Q25252) Pfam (PF00135)	Lucilia cuprina (Green bottle fly)
2	B (A)	{3-chloro-4-[(2-fluorophenyl)methoxy]phenyl}borinic acid	non-polymer		264.5	1	Chemie (7N4)
3	C (A)	water	water		18.0	266	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
Leu 364	Met 364	engineered mutation
Phe 419	Ile 419	engineered mutation
Thr 472	Ala 472	engineered mutation
Thr 505	Ile 505	engineered mutation
Glu 530	Lys 530	conflict
Gly 554	Asp 554	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	66388.8
Non-Polymers*	Number of molecules	1
	Total formula weight	264.5
All*	Total formula weight	66653.3

*Water molecules are not included.