6ISQ

structure of Lipase mutant with oxided Cys-His-Asp catalytic triad

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Lipase B	polymer	321	33473.7	2	UniProt (P41365) In PDB	Pseudozyma antarctica (Yeast)	CALB
2	A, B	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
3	A, B	ISOPROPYL ALCOHOL	non-polymer		60.1	2	Chemie (IPA)
4	A	1,2-ETHANEDIOL	non-polymer		62.1	3	Chemie (EDO)
5	A	TRIETHYLENE GLYCOL	non-polymer		150.2	2	Chemie (PGE)
6		water	water		18.0	300	Chemie (HOH)

Sequence modifications

A, B: 1 - 317 (UniProt: P41365)

PDB	External Database	Details
Gly -3	-	expression tag
Ala -2	-	expression tag
Met -1	-	expression tag
Ala 0	-	expression tag
Ala 57	Thr 82	engineered mutation
Thr 89	Ala 114	engineered mutation
Val 104	Trp 129	engineered mutation
Csd 105	Ser 130	engineered mutation
Gly 149	Val 174	engineered mutation
Tyr 281	Ala 306	engineered mutation
Tyr 282	Ala 307	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	66947.5
Non-Polymers*	Number of molecules	9
	Total formula weight	724.8
All*	Total formula weight	67672.3

*Water molecules are not included.