8YIB

Staphylococcus aureus lipase -PSA complex - covalent bonding state

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Lipase 2	polymer	408	45797.4	2	UniProt (A0A0U1MWF9)	Staphylococcus aureus
2	C, KA, LA, MA, NA... (A, B)	FORMIC ACID	non-polymer		46.0	10	Chemie (FMT)
3	BA, CA, D, H (B, A)	OCTANOIC ACID (CAPRYLIC ACID)	non-polymer		144.2	4	Chemie (OCA)
4	E (A)	PROPANOIC ACID	non-polymer		74.1	1	Chemie (PPI)
5	F (A)	ACETIC ACID	non-polymer		60.1	1	Chemie (ACY)
6	DA, G (B, A)	Petroselinic acid	non-polymer		282.5	2	Chemie (4I1)
7	AA, I (B, A)	butanoic acid	non-polymer		88.1	2	Chemie (BUA)
8	EA, J, OA, U (B, A)	LAURIC ACID	non-polymer		200.3	4	Chemie (DAO)
9	FA, K (B, A)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
10	GA, L (B, A)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
11	M (A)	MAGNESIUM ION	non-polymer		24.3	1	Chemie (MG)
12	HA, IA, JA, N, O (B, A)	GLYCEROL	non-polymer		92.1	5	Chemie (GOL)
13	P, X, Z (A, B)	HEXANOIC ACID	non-polymer		116.2	3	Chemie (6NA)
14	PA, QA, V, W (B, A)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
15	RA, SA (A, B)	water	water		18.0	140	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	conflict

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	91594.8
Non-Polymers*	Number of molecules	41
	Total formula weight	3899.7
All*	Total formula weight	95494.4

*Water molecules are not included.