Can the Structure of the Hydrophobic Core Determine the Complexation Site? - Identification of Ligand Binding Site and Protein-Protein Interaction Area - page 46

Table 3.1 O/T and O/R values for 1BDD, 1 G85 and 3DRC respectively, presenting the degree of accordance between the observed hydrophobic core and the
assumed “fuzzy oil drop” model

Divergence entropy [bit]
O/T

Protein Protein Characteristics Structural Form Residues involved O/R

1BDD Immunoglobulin binding protein Complete 0.186 0.585

1 G85 Odorant binding protein Complete 0.260 0.259

1-Octen-3-ol No ligand 22, 36, 38, 56, 83, 87, 103, 115-118 0.213 0.303

Homodimer No P-P 19-25, 27, 30, 37-39, 92, 93, 98, 100-102, 114,

116-118, 120, 122, 123, 125, 128, 129, 135,
136, 139, 141, 145-150, 152, 154-159

0.202 0.294

3DRC Dihydrofolate reductase Complete 0.154 0.184

Methotrexate No ligand 93, 98, 100 0.149 0.193

Cl − No ion 142, 144, 145 0.155 0.185

EC#:1.5.1.3 No catalytic 11, 20 0.154 0.188

Instances where O/T < O/R have been highlighted