Table 6

Important human DHFR residues for inhibitor binding

Functional interaction

DHFR residue

2-amino hydrogen bonding

³⁰Glu

4-amino hydrogen bonding

⁷Ile

4-amino hydrogen bonding

¹¹⁵Val

N1 hydrogen bonding

³⁰Glu

Pteridine ring hydrophobic interactions

²²Leu

Pteridine ring hydrophobic interactions

³¹Phe

Pteridine ring hydrophobic interactions

³⁴Phe

Benzene ring hydrophobic interactions

²²Leu

Benzene ring hydrophobic interactions

³¹Phe

Benzene ring hydrophobic interactions

³⁴Phe

Benzene ring hydrophobic interactions

⁶¹Pro

5-methyl hydrophobic interactions

¹¹⁵Val

9-methyl and 10-methyl hydrophobic interactions

²²Leu

(Table formulated using information from [46-48])

Spowage et al. Journal of Cheminformatics 2009 1:22   doi:10.1186/1758-2946-1-22