7EI4

Crystal structure of MasL in complex with a novel covalent inhibitor, collimonin C

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 (A, B, C, D)	Acetyl-CoA C-acyltransferase	polymer	407	42607.3	4	UniProt (A0A5C7BKK5) Pfam (PF00108) Pfam (PF02803) UniProt (by SIFTS) (A0A915Q9D3)	[Empedobacter] haloabium
2	E, F, G, H (A, B, C, D)	(6S,7R,9E)-6,7-bis(oxidanyl)hexadeca-9,15-dien-11,13-diynoic acid	non-polymer		276.3	4	Chemie (J3U)
3	I, J, K, L (A, B, C, D)	water	water		18.0	1708	Chemie (HOH)

Sequence modifications

A, B, C, D: 3 - 394 (UniProt: A0A5C7BKK5)

PDB	External Database	Details
Met 1	-	initiating methionine
Val 2	-	expression tag
Thr 183	Val 182	engineered mutation
Lys 395	-	expression tag
Leu 396	-	expression tag
Ala 397	-	expression tag
Ala 398	-	expression tag
Ala 399	-	expression tag
Leu 400	-	expression tag
Glu 401	-	expression tag
His 402	-	expression tag
His 403	-	expression tag
His 404	-	expression tag
His 405	-	expression tag
His 406	-	expression tag
His 407	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	170429.3
Non-Polymers*	Number of molecules	4
	Total formula weight	1105.3
All*	Total formula weight	171534.6

*Water molecules are not included.