3JW3

Crystal structure of Bacillus anthracis (F96I) dihydrofolate reductase complexed with NADPH and Trimethoprim

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)	Dihydrofolate reductase	polymer	168	19987.8	2	UniProt (Q81R22) Pfam (PF00186)	Bacillus anthracis
2	C, E (A, B)	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	2	Chemie (NDP)
3	D, F (A, B)	TRIMETHOPRIM	non-polymer		290.3	2	Chemie (TOP)
4	G, H (A, B)	water	water		18.0	38	Chemie (HOH)

Sequence modifications

A, B: 1 - 162 (UniProt: Q81R22)

PDB	External Database	Details
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Arg 2	Ile 2	engineered mutation
Ile 96	Phe 96	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	39975.5
Non-Polymers*	Number of molecules	4
	Total formula weight	2071.5
All*	Total formula weight	42047.0

*Water molecules are not included.