2Z6J

Crystal Structure of S. pneumoniae Enoyl-Acyl Carrier Protein Reductase (FabK) in Complex with an Inhibitor

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)	Trans-2-enoyl-ACP reductase II	polymer	332	35289.4	2	UniProt (Q9FBC5)	Streptococcus pneumoniae	Enoyl-Acyl-carrier-protein, reductase
2	C, D, H, I (A, B)	CALCIUM ION	non-polymer		40.1	4	Chemie (CA)
3	E, J (A, B)	FLAVIN MONONUCLEOTIDE	non-polymer		456.3	2	Chemie (FMN)
4	F, K (A, B)	2-(4-(2-((3-(5-(PYRIDIN-2-YLTHIO)THIAZOL-2-YL)UREIDO)METHYL)-1H-IMIDAZOL-4-YL)PHENOXY)ACETIC ACID	non-polymer		482.5	2	Chemie (TUI)
5	G (A)	(4S)-2-METHYL-2,4-PENTANEDIOL	non-polymer		118.2	1	Chemie (MPD)
6	L, M (A, B)	water	water		18.0	72	Chemie (HOH)

Sequence modifications

A, B: 1 - 324 (UniProt: Q9FBC5)

PDB	External Database	Details
Leu 325	-	expression tag
Glu 326	-	expression tag
His 327	-	expression tag
His 328	-	expression tag
His 329	-	expression tag
His 330	-	expression tag
His 331	-	expression tag
His 332	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	70578.8
Non-Polymers*	Number of molecules	9
	Total formula weight	2156.2
All*	Total formula weight	72735.1

*Water molecules are not included.