6H0V

Crystal structure of tabun surrogate NEDPA inhibited recombinant human bile salt activated lipase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (A)	Bile salt-activated lipase	polymer	547	60877.8	1	UniProt (P19835) Pfam (PF00135)	Homo sapiens (Human)	BAL,Bile salt-stimulated lipase,BSSL,Bucelipase,Carboxyl ester lipase,Cholesterol esterase,Pancreatic lysophospholipase,Sterol esterase
2	B, C, D, I, J (A)	ZINC ION	non-polymer		65.4	5	Chemie (ZN)
3	E, F, G, H (A)	ACETATE ION	non-polymer		59.0	4	Chemie (ACT)
4	K (A)	water	water		18.0	74	Chemie (HOH)

Sequence modifications

A: 2 - 533 (UniProt: P19835)

PDB	External Database	Details
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
Glu -5	-	expression tag
Asn -4	-	expression tag
Leu -3	-	expression tag
Tyr -2	-	expression tag
Phe -1	-	expression tag
Gln 0	-	expression tag
Ser 1	-	expression tag
Asp 186	Asn 206	engineered mutation
Asp 298	Ala 318	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	60877.8
Non-Polymers*	Number of molecules	9
	Total formula weight	563.2
All*	Total formula weight	61441.0

*Water molecules are not included.