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Table 6 Important human DHFR residues for inhibitor binding

From: Interpretable correlation descriptors for quantitative structure-activity relationships

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
  1. (Table formulated using information from [4648])