6ISP

structure of Candida antarctica Lipase B 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, C, D (D, A, C, B)	Lipase B	polymer	321	33425.7	4	UniProt (P41365)	Pseudozyma antarctica (Yeast)	CALB
2	E, F, H, I, J... (D, A, C, B)	N,N-BIS(3-D-GLUCONAMIDOPROPYL)DEOXYCHOLAMIDE	non-polymer		862.1	11	Chemie (CPQ)
3	G, O (A, B)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
4	R, S, T, U (D, A, C, B)	water	water		18.0	1228	Chemie (HOH)

Sequence modifications

D, A, C, 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
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	4
	Total formula weight	133702.7
Non-Polymers*	Number of molecules	13
	Total formula weight	9562.8
All*	Total formula weight	143265.5

*Water molecules are not included.