9L3C

Staphylococcus aureus lipase-Penfluridol complex (on the ground)

This is a non-PDB format compatible entry.

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) UniProt (by SIFTS) (Q2G155)	Staphylococcus aureus
2	C, U (A, B)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
3	D, L, O (A)	OCTANOIC ACID (CAPRYLIC ACID)	non-polymer		144.2	3	Chemie (OCA)
4	E, F, G, IA, S (A, B)	PROPANOIC ACID	non-polymer		74.1	5	Chemie (PPI)
5	H, Y (A, B)	Penfluridol	non-polymer		524.0	2	Chemie (A1L60)
6	AA, I, J, Z (B, A)	FORMIC ACID	non-polymer		46.0	4	Chemie (FMT)
7	HA, K, T, V (B, A)	butanoic acid	non-polymer		88.1	4	Chemie (BUA)
8	CA, M (B, A)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
9	DA, N (B, A)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
10	GA, P, Q, R (B, A)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
11	W, X (B)	UNDECANOIC ACID	non-polymer		186.3	2	Chemie (11A)
12	BA (B)	HEPTANOIC ACID	non-polymer		130.2	1	Chemie (SHV)
13	EA, FA (B)	HEXANOIC ACID	non-polymer		116.2	2	Chemie (6NA)
14	JA, KA (A, B)	water	water		18.0	46	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	33
	Total formula weight	3659.5
All*	Total formula weight	95254.3

*Water molecules are not included.