3SGY

Staphylococcus aureus Dihydrofolate Reductase complexed with NADPH and 6-ETHYL-5-[(3S)-3-[3-METHOXY-5-(PYRIDIN-4-YL)PHENYL]BUT-1-YN-1-YL]PYRIMIDINE-2,4-DIAMINE (UCP1006)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	Dihydrofolate reductase	polymer	167	19363.0	2	UniProt (P0A017) Pfam (PF00186) In PDB	Staphylococcus aureus	DHFR
2	A, B	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	2	Chemie (NDP)
3	A, B	6-ethyl-5-{(3S)-3-[3-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine	non-polymer		373.5	2	Chemie (06W)
4		water	water		18.0	4	Chemie (HOH)

Sequence modifications

A, B: 1 - 157 (UniProt: P0A017)

PDB	External Database	Details
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	38726.0
Non-Polymers*	Number of molecules	4
	Total formula weight	2237.7
All*	Total formula weight	40963.8

*Water molecules are not included.