9OOI

Crystal structure of dihydrofolate reductase (DHFR) from the filarial nematode W. bancrofti in complex with NADPH and antifolate 2-({4-[(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzoic acid (OG7 or TSD001)

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C (A, B, C)	dihydrofolate reductase	polymer	193	22211.6	3	UniProt (A0AAF5PZP7) Pfam (PF00186) UniProt (by SIFTS) (A0A4E9FIQ4)	Wuchereria bancrofti
2	D, F, H (A, B, C)	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		743.4	3	Chemie (NAP)
3	E, G, I (A, B, C)	2-({4-[(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)methyl]benzene-1-carbonyl}amino)benzoic acid	non-polymer		403.4	3	Chemie (OG7)
4	J (C)	water	water		18.0	2	Chemie (HOH)

Sequence modifications

A, B, C: 2 - 183 (UniProt: A0AAF5PZP7)

PDB	External Database	Details
Met -9	-	expression tag
Ala -8	-	expression tag
His -7	-	expression tag
His -6	-	expression tag
His -5	-	expression tag
His -4	-	expression tag
His -3	-	expression tag
His -2	-	expression tag
Ala -1	-	expression tag
Met 0	-	expression tag
Ala 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	66634.8
Non-Polymers*	Number of molecules	6
	Total formula weight	3440.4
All*	Total formula weight	70075.2

*Water molecules are not included.