3LG4

Staphylococcus aureus V31Y, F92I mutant dihydrofolate reductase complexed with NADPH and 5-[(3S)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine

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	19524.2	2	UniProt (P0A017) Pfam (PF00186)	Staphylococcus aureus	DHFR
2	C, E (A, B)	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	2	Chemie (NDP)
3	D, F (A, B)	5-[(3S)-3-(5-methoxy-2',6'-dimethylbiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine	non-polymer		386.5	2	Chemie (52V)

Sequence modifications

A, B: 0 - 157 (UniProt: P0A017)

PDB	External Database	Details
Tyr 31	Val 32	engineered mutation
Ile 92	Phe 93	engineered mutation
Leu 158	-	expression tag
Glu 159	-	expression tag
His 160	-	expression tag
His 161	-	expression tag
His 162	-	expression tag
His 163	-	expression tag
His 164	-	expression tag
His 165	-	expression tag
His 166	-	expression tag
His 167	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	39048.5
Non-Polymers*	Number of molecules	4
	Total formula weight	2263.8
All*	Total formula weight	41312.3

*Water molecules are not included.