3NXX

Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E- and Z-isomers of a Series of 5-Substituted 2,4-Diaminofuro-2,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	Dihydrofolate reductase	polymer	186	21349.5	1	UniProt (P00374) Pfam (PF00186) In PDB	Homo sapiens (human)
2	A	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE	non-polymer		745.4	1	Chemie (NDP)
3	A	5-[(1E)-2-(2-methoxyphenyl)-4-methylpent-1-en-1-yl]furo[2,3-d]pyrimidine-2,4-diamine	non-polymer		338.4	2	Chemie (D2D)
4		water	water		18.0	237	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	21349.5
Non-Polymers*	Number of molecules	3
	Total formula weight	1422.2
All*	Total formula weight	22771.8

*Water molecules are not included.