Table 1 Details of binding pocket as predicted by PrankWeb server
Pocket rank | AzrBmH21 (PDB: 6QU0) | AzrBmH22/3 (PDB: 6JXS) | AzrBmH24/5 (PDB: 3W77) | |||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
1 | 2 | 3 | 4 | 5 | 6 | 7 | 1 | 2 | 3 | 4 | 5 | 6 | 1 | 2 | 3 | |
Pocket score | 32.64 | 19.35 | 3.36 | 3.14 | 3.08 | 2.99 | 1.67 | 37.82 | 34.55 | 15.09 | 6.51 | 4.93 | 1.90 | 22.95 | 22.19 | 3.42 |
Probability score | 0.929 | 0.829 | 0.123 | 0.109 | 1.105 | 0.099 | 0.027 | 0.951 | 0.939 | 0.75 | 0.356 | 0.233 | 0.037 | 0.868 | 0.860 | 0.127 |
Amino acid count | 15 | 13 | 5 | 5 | 7 | 7 | 4 | 20 | 11 | 12 | 7 | 5 | 3 | 21 | 12 | 3 |
Amino acid residues | I52 D53 F57 S58 G59 W60 G61 D116 A119 Y125 T127 Q130 G131 P132 F172 | H10, P11 E14, Q16 F18, P101 L102, W103 N104 A146 G145 N184 G186 | H51 I52 P109 A113 D116 | S106 F107 K112 M161 Y195 | F105 G148 G149 I150 Y151 A156 M159 | L44 Y45 I49 A51 P109 V110 A113 | Y45 W103 P109 V110 | W10 Q16 S17, L12 L18, K101 M102 W103 N104 F105 A146 Y148 D149 I150 Y151 A156 M159 Q186 V187 A188 | I52 F57 W60 D116 T119 A121 F125 G131 A132 N171 F172 | Y6 W10 P11 L12 D13 E14 M20 K24 H41 D43 Y45 K46 | K3 I40 E47 R82 E85 Q89 A92 | S106 F107 K112 M161 Y165 | L44 Y45 K47 | N10, R12, A17, Q16, V18, S19, P98, L99, W100, N101, L102 A143 R144, G145 G146, Y148, A153, V156 H183, N184 Q185 | V52 M56 I57 Q60 D113 N116 F122 Y124 P129 S165 M166 F169 | T103 H109 Y162 |