6KSM

Staphylococcus aureus lipase -Orlistat complex

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 2	polymer	408	45797.4	2	UniProt (A0A0U1MWF9) In PDB	Staphylococcus aureus
2	A, B	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
3	A, B	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
4	A, B	(2S,3S,5S)-5-[(N-FORMYL-L-LEUCYL)OXY]-2-HEXYL-3-HYDROXYHEXADECANOIC ACID	non-polymer		513.8	2	Chemie (DH9)
5	A, B	LAURIC ACID	non-polymer		200.3	4	Chemie (DAO)
6	A, B	butanoic acid	non-polymer		88.1	2	Chemie (BUA)
7	B	STEARIC ACID	non-polymer		284.5	1	Chemie (STE)
8		water	water		18.0	60	Chemie (HOH)

Sequence modifications

A, B: -1 - 394 (UniProt: A0A0U1MWF9)

PDB	External Database	Details
Met -13	-	expression tag
Asn -12	-	expression tag
His -11	-	expression tag
Lys -10	-	expression tag
Val -9	-	expression tag
His -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
Met -2	-	expression tag
Gln 68	Glu 364	variant

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	91594.8
Non-Polymers*	Number of molecules	13
	Total formula weight	2500.4
All*	Total formula weight	94095.2

*Water molecules are not included.