Table 9 Comparison of the residues from druggable cavities in C. pseudotuberculosis proteins and the corresponding residues in structurally aligned host protein cavities.
Protein Loci | Bacterial Residues for the Most Druggable Cavity Predicted by DGSS Server# | HS* | EC* | BT* | OA* |
|---|---|---|---|---|---|
Cp1002_0692 (Glyceralderayde 3-phosphate dehydrogenase) | Lys157 | Asp35 | Asp33 | Asp33 | Asp33 |
| Â | Val174 | Thr52 | Thr50 | Thr50 | Thr50 |
| Â | Arg229 | Thr103 | Thr101 | Thr101 | Thr101 |
| Â | Asn311 | Ala183 | Ala181 | Ala181 | Ala181 |
Cp1002_0385 (Adenylate kinase) | Phe35 | Leu50 | Leu52 | Leu52 | Leu43 |
| Â | Ile53 | Met68 | Met70 | Met70 | Met61 |
| Â | Thr64 | Val79 | Val81 | Val81 | Val72 |
Cp1002_0728 (Serine hydroxymethyltransferase) | Cys70 | Ala88 | Thr86 | Thr86 | Thr86 |
| Â | Ala99 | Ser121 | Ser119 | Ser119 | Ser119 |
| Â | Ala101 | Ser123 | Ser121 | Ser121 | Ser121 |
| Â | Trp177 | Thr204 | Thr202 | Thr202 | Thr202 |
| Â | Pro361 | Ala397 | Ala395 | Ala395 | Ala395 |
Cp1002_1005 (6-phosphogluconate dehydrogenase) | Ser55 | Thr35 | Thr161 | Thr35 | Thr35 |
| Â | Met94 | Leu74 | Leu200 | Leu74 | Leu74 |
| Â | Gln96 | Lys76 | Lys202 | Lys76 | Lys76 |
| Â | Val104 | Phe84 | Phe210 | Phe84 | Phe84 |
| Â | Ile148 | Val128 | Val254 | Val128 | Val128 |
| Â | Gln268 | Lys248 | Lys374 | Lys248 | Lys248 |
| Â | Pro269 | His249 | Tyr375 | His249 | His249 |
Cp1002_1042 (Aspartate ammonia-lyase) | Gln193 | His235 | His257 | His235 | His235 |
| Â | Ile428 | Lys470 | Lys492 | Lys470 | Lys470 |
| Â | His447 | Leu489 | Leu511 | Leu489 | Leu489 |