5HC2

Structure of esterase Est22 mutant-S188A with p-nitrophenol

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 (A, B, C, D)	Lipolytic enzyme	polymer	365	39066.7	4	UniProt (H6BDX1)	uncultured bacterium
2	E, H, J, L (A, B, C, D)	P-NITROPHENOL	non-polymer		139.1	4	Chemie (NPO)
3	F, G, I, K, M (A, B, C, D)	IMIDAZOLE	non-polymer		69.1	5	Chemie (IMD)
4	N, O, P, Q (A, B, C, D)	water	water		18.0	1020	Chemie (HOH)

Sequence modifications

A, B, C, D: 1 - 344 (UniProt: H6BDX1)

PDB	External Database	Details
Met -20	-	expression tag
Gly -19	-	expression tag
Ser -18	-	expression tag
Ser -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
Ser -9	-	expression tag
Ser -8	-	expression tag
Gly -7	-	expression tag
Leu -6	-	expression tag
Val -5	-	expression tag
Pro -4	-	expression tag
Arg -3	-	expression tag
Gly -2	-	expression tag
Ser -1	-	expression tag
His 0	-	expression tag
Ala 188	Ser 188	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	156266.7
Non-Polymers*	Number of molecules	9
	Total formula weight	901.9
All*	Total formula weight	157168.6

*Water molecules are not included.