3SRQ

S. aureus Dihydrofolate Reductase complexed with novel 7-aryl-2,4-diaminoquinazolines

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	X	Dihydrofolate reductase	polymer	167	19347.1	1	UniProt (P0A017) Pfam (PF00186) In PDB	Staphylococcus aureus	DHFR
2	X	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	1	Chemie (NAP)
3	X	1-[3-(2,4-diamino-6-methylquinazolin-7-yl)phenyl]ethanone	non-polymer		292.3	1	Chemie (Q19)
4		water	water		18.0	179	Chemie (HOH)

Sequence modifications

X: 1 - 159 (UniProt: P0A017)

PDB	External Database	Details
Leu 160	-	expression tag
Glu 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	1
	Total formula weight	19347.1
Non-Polymers*	Number of molecules	2
	Total formula weight	1035.7
All*	Total formula weight	20382.8

*Water molecules are not included.