4DXE

2.52 Angstrom resolution crystal structure of the acyl-carrier-protein synthase (AcpS)-acyl carrier protein (ACP) protein-protein complex from Staphylococcus aureus subsp. aureus COL

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, E... (A, B, C, D, E...)	acyl-carrier-protein synthase	polymer	143	16371.5	6	UniProt (Q5HED0) Pfam (PF01648)	Staphylococcus aureus	Holo-ACP synthase, 4'-phosphopantetheinyl transferase AcpS
2	G, H, I, J, K... (H, L, K, G, J...)	Acyl carrier protein	polymer	101	11301.3	6	UniProt (Q5HGK0) Pfam (PF00550)	Staphylococcus aureus	ACP
3	M, N, O, P (A, B, C, F)	MALONATE ION	non-polymer		102.0	4	Chemie (MLI)
4	AA, BA, Q, R, S... (J, I, A, B, C...)	water	water		18.0	130	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F: 1 - 119 (UniProt: Q5HED0)

PDB	External Database	Details
Met -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
Gly -14	-	expression tag
Val -13	-	expression tag
Asp -12	-	expression tag
Leu -11	-	expression tag
Gly -10	-	expression tag
Thr -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Ser -2	-	expression tag
Asn -1	-	expression tag
Ala 0	-	expression tag

H, L, K, G, J, I: 1 - 77 (UniProt: Q5HGK0)

PDB	External Database	Details
Met -23	-	expression tag
His -22	-	expression tag
His -21	-	expression tag
His -20	-	expression tag
His -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
Ser -16	-	expression tag
Ser -15	-	expression tag
Gly -14	-	expression tag
Val -13	-	expression tag
Asp -12	-	expression tag
Leu -11	-	expression tag
Gly -10	-	expression tag
Thr -9	-	expression tag
Glu -8	-	expression tag
Asn -7	-	expression tag
Leu -6	-	expression tag
Tyr -5	-	expression tag
Phe -4	-	expression tag
Gln -3	-	expression tag
Ser -2	-	expression tag
Asn -1	-	expression tag
Ala 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	12
	Total formula weight	166036.9
Non-Polymers*	Number of molecules	4
	Total formula weight	408.2
All*	Total formula weight	166445.1

*Water molecules are not included.