38XY

Crystal structure of a Formate acetyltransferase (PFL) from Megasphaera lornae with an acetylated active site cysteine and flipped catalytic loop

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)	Formate acetyltransferase	polymer	772	87941.3	2	UniProt (A0ABN0CZ30)	Megasphaera lornae	Pyruvate formate-lyase
2	C, D, J, K (A, B)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	4	Chemie (MPD) PubChem (5288834)
3	E, L (A, B)	IMIDAZOLE	non-polymer		69.1	2	Chemie (IMD)
4	F (A)	PENTAETHYLENE GLYCOL	non-polymer		238.3	1	Chemie (1PE) PubChem (62551)
5	G, H, I, N, O... (A, B)	CHLORIDE ION	non-polymer		35.5	6	Chemie (CL) PubChem (312)
6	M (B)	TETRAETHYLENE GLYCOL	non-polymer		194.2	1	Chemie (PG4) PubChem (8200)
7	Q, R (A, B)	water	water		18.0	963	Chemie (HOH)

Sequence modifications

A, B: 1 - 751 (UniProt: A0ABN0CZ30)

PDB	External Database	Details
Met -20	-	initiating methionine
Ala -19	-	expression tag
His -18	-	expression tag
His -17	-	expression tag
His -16	-	expression tag
His -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
Met -12	-	expression tag
Gly -11	-	expression tag
Thr -10	-	expression tag
Leu -9	-	expression tag
Glu -8	-	expression tag
Ala -7	-	expression tag
Gln -6	-	expression tag
Thr -5	-	expression tag
Gln -4	-	expression tag
Gly -3	-	expression tag
Pro -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	175882.6
Non-Polymers*	Number of molecules	14
	Total formula weight	1256.1
All*	Total formula weight	177138.7

*Water molecules are not included.