7UMY

Crystal structure of Acinetobacter baumannii FabI in complex with NAD and Fabimycin ((S,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide)

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...)	Enoyl-[acyl-carrier-protein] reductase [NADH]	polymer	271	29028.1	6	UniProt (D0CAD5) Pfam (PF13561)	Acinetobacter baumannii ATCC 19606 = CIP 70.34 = JCM 6841
2	G, J, L, M, P... (A, B, C, D, E...)	NICOTINAMIDE-ADENINE-DINUCLEOTIDE	non-polymer		663.4	6	Chemie (NAD)
3	H, I, K, N, O... (A, B, C, D, E...)	(2E)-3-[(7S)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide	non-polymer		404.5	6	Chemie (NUC) PubChem (176732538) PubChem (156500174) PubChem (156500281) PubChem (164917757) PubChem (165369541)
4	S, T, U, V, W... (A, B, C, D, E...)	water	water		18.0	22	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F: 0 - 267 (UniProt: D0CAD5)

PDB	External Database	Details
Gly -3	-	expression tag
Asp -2	-	expression tag
His -1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	6
	Total formula weight	174168.5
Non-Polymers*	Number of molecules	12
	Total formula weight	6407.3
All*	Total formula weight	180575.8

*Water molecules are not included.