8IVE

crystal structure of SulE mutant

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)	Alpha/beta fold hydrolase	polymer	370	41152.3	2	UniProt (G9I933) Pfam (PF12697)	Hansschlegelia zhihuaiae
2	C, E (A, B)	2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER	non-polymer		414.8	2	Chemie (CIE)
3	D, F (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
4	G, H (A, B)	water	water		18.0	786	Chemie (HOH)

Sequence modifications

A, B: 2 - 362 (UniProt: G9I933)

PDB	External Database	Details
Met 1	-	initiating methionine
Arg 44	Pro 80	engineered mutation
Ala 209	Ser 245	engineered mutation
Ala 333	His 369	engineered mutation
Leu 363	-	expression tag
Glu 364	-	expression tag
His 365	-	expression tag
His 366	-	expression tag
His 367	-	expression tag
His 368	-	expression tag
His 369	-	expression tag
His 370	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	82304.6
Non-Polymers*	Number of molecules	4
	Total formula weight	1013.8
All*	Total formula weight	83318.5

*Water molecules are not included.