3SA1

Bacuills anthracis Dihydrofolate Reductase bound propargyl-linked TMP analog, UCP1021

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	165	19607.3	2	UniProt (Q81R22) Pfam (PF00186)	Bacillus anthracis (anthrax anthrax bacterium)
2	C, E (A, B)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	2	Chemie (NAP)
3	D, F (A, B)	6-ethyl-5-{3-[2-methoxy-5-(pyridin-4-yl)phenyl]prop-1-yn-1-yl}pyrimidine-2,4-diamine	non-polymer		359.4	2	Chemie (6DR)
4	G, H (A, B)	water	water		18.0	35	Chemie (HOH)

Sequence modifications

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

PDB	External Database	Details
His -2	-	expression tag
His -1	-	expression tag
His 0	-	expression tag
Arg 2	Ile 2	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	39214.7
Non-Polymers*	Number of molecules	4
	Total formula weight	2205.7
All*	Total formula weight	41420.3

*Water molecules are not included.