3QMN

Crystal Structure of 4'-Phosphopantetheinyl Transferase AcpS from Vibrio cholerae O1 biovar eltor

Replaces:  3OTAReplaces:  3H88

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...)	Holo-[acyl-carrier-protein] synthase	polymer	129	14243.9	24	UniProt (Q9KPB6) Pfam (PF01648)	Vibrio cholerae O1 biovar El Tor	Holo-ACP synthase, 4'-phosphopantetheinyl transferase AcpS
2	AA, BE, CB, ED, HB... (A, X, G, S, H...)	COENZYME A	non-polymer		767.5	24	Chemie (COA)
3	CC, GB, GC, LA, ND... (L, G, M, C, T...)	CHLORIDE ION	non-polymer		35.5	9	Chemie (CL)
4	AB, AC, AD, BA, BC... (F, L, R, A, X...)	CALCIUM ION	non-polymer		40.1	46	Chemie (CA)
5	CD, DA, DB, FA, FD... (R, A, G, B, S...)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	16	Chemie (MPD)
6	AE, DD, EA, LD, NA... (W, R, A, T, C...)	ACETATE ION	non-polymer		59.0	8	Chemie (ACT)
7	BB, DC, LC, MD, RA... (F, L, N, T, D...)	(4R)-2-METHYLPENTANE-2,4-DIOL	non-polymer		118.2	6	Chemie (MRD)
8	PC (O)	ADENOSINE-3'-5'-DIPHOSPHATE	non-polymer		427.2	1	Chemie (A3P)
9	AF, BF, EE, FE, GE... (W, X, A, B, C...)	water	water		18.0	2487	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L, M, N, O, P, Q, R, S, T, U, V, W, X: 1 - 126 (UniProt: Q9KPB6)

PDB	External Database	Details
Ser -2	-	expression tag
Asn -1	-	expression tag
Ala 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	24
	Total formula weight	341852.9
Non-Polymers*	Number of molecules	110
	Total formula weight	24082.9
All*	Total formula weight	365935.8

*Water molecules are not included.