5XII
Crystal Structure of Toxoplasma gondii Prolyl-tRNA Synthetase (TgPRS) in complex with inhibitor 6
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004812 | molecular_function | aminoacyl-tRNA ligase activity |
| A | 0004827 | molecular_function | proline-tRNA ligase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0006418 | biological_process | tRNA aminoacylation for protein translation |
| A | 0006433 | biological_process | prolyl-tRNA aminoacylation |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0004812 | molecular_function | aminoacyl-tRNA ligase activity |
| B | 0004827 | molecular_function | proline-tRNA ligase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0006418 | biological_process | tRNA aminoacylation for protein translation |
| B | 0006433 | biological_process | prolyl-tRNA aminoacylation |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0004812 | molecular_function | aminoacyl-tRNA ligase activity |
| C | 0004827 | molecular_function | proline-tRNA ligase activity |
| C | 0005524 | molecular_function | ATP binding |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0006418 | biological_process | tRNA aminoacylation for protein translation |
| C | 0006433 | biological_process | prolyl-tRNA aminoacylation |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0004812 | molecular_function | aminoacyl-tRNA ligase activity |
| D | 0004827 | molecular_function | proline-tRNA ligase activity |
| D | 0005524 | molecular_function | ATP binding |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0006418 | biological_process | tRNA aminoacylation for protein translation |
| D | 0006433 | biological_process | prolyl-tRNA aminoacylation |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 23 |
| Details | binding site for residue ANP A 1001 |
| Chain | Residue |
| A | ARG470 |
| A | MG1003 |
| A | 86X1004 |
| A | HOH1107 |
| A | HOH1109 |
| A | HOH1116 |
| A | HOH1150 |
| A | HOH1158 |
| A | HOH1178 |
| A | HOH1179 |
| A | HOH1183 |
| A | GLU472 |
| A | HOH1193 |
| A | HOH1214 |
| A | HOH1216 |
| A | HOH1243 |
| A | ARG481 |
| A | THR482 |
| A | PHE485 |
| A | GLN555 |
| A | THR592 |
| A | ARG594 |
| A | MG1002 |
| site_id | AC2 |
| Number of Residues | 5 |
| Details | binding site for residue MG A 1002 |
| Chain | Residue |
| A | ANP1001 |
| A | HOH1116 |
| A | HOH1179 |
| A | HOH1231 |
| A | HOH1307 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue MG A 1003 |
| Chain | Residue |
| A | ANP1001 |
| A | HOH1107 |
| A | HOH1150 |
| A | HOH1158 |
| A | HOH1178 |
| site_id | AC4 |
| Number of Residues | 16 |
| Details | binding site for residue 86X A 1004 |
| Chain | Residue |
| A | PHE415 |
| A | GLU418 |
| A | VAL419 |
| A | PRO438 |
| A | THR439 |
| A | GLU441 |
| A | ARG470 |
| A | TRP487 |
| A | PHE534 |
| A | THR558 |
| A | HIS560 |
| A | SER588 |
| A | TRP589 |
| A | ANP1001 |
| A | HOH1158 |
| A | HOH1280 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 1005 |
| Chain | Residue |
| A | GLU497 |
| A | LYS539 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | binding site for residue EDO A 1006 |
| Chain | Residue |
| A | ILE800 |
| A | PRO801 |
| A | PHE802 |
| A | ARG822 |
| A | HOH1125 |
| A | HOH1129 |
| A | HOH1286 |
| D | PRO429 |
| site_id | AC7 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 1007 |
| Chain | Residue |
| A | GLU376 |
| A | LYS377 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 1008 |
| Chain | Residue |
| A | ARG582 |
| A | LEU583 |
| A | HOH1238 |
| site_id | AC9 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 1009 |
| Chain | Residue |
| A | CYS518 |
| A | ARG614 |
| site_id | AD1 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 1010 |
| Chain | Residue |
| A | TRP471 |
| A | ARG483 |
| C | LEU430 |
| site_id | AD2 |
| Number of Residues | 26 |
| Details | binding site for residue ANP B 1001 |
| Chain | Residue |
| B | ARG470 |
| B | GLU472 |
| B | LYS474 |
| B | PHE479 |
| B | LEU480 |
| B | ARG481 |
| B | THR482 |
| B | PHE485 |
| B | GLN555 |
| B | ALA556 |
| B | ALA557 |
| B | THR558 |
| B | THR592 |
| B | ARG594 |
| B | MG1002 |
| B | MG1003 |
| B | 86X1004 |
| B | HOH1122 |
| B | HOH1129 |
| B | HOH1139 |
| B | HOH1141 |
| B | HOH1148 |
| B | HOH1190 |
| B | HOH1192 |
| B | HOH1200 |
| B | HOH1202 |
| site_id | AD3 |
| Number of Residues | 5 |
| Details | binding site for residue MG B 1002 |
| Chain | Residue |
| B | HOH1237 |
| B | ANP1001 |
| B | HOH1122 |
| B | HOH1192 |
| B | HOH1202 |
| site_id | AD4 |
| Number of Residues | 5 |
| Details | binding site for residue MG B 1003 |
| Chain | Residue |
| B | ANP1001 |
| B | HOH1116 |
| B | HOH1129 |
| B | HOH1139 |
| B | HOH1141 |
| site_id | AD5 |
| Number of Residues | 16 |
| Details | binding site for residue 86X B 1004 |
| Chain | Residue |
| B | PHE415 |
| B | GLU418 |
| B | VAL419 |
| B | PRO438 |
| B | THR439 |
| B | GLU441 |
| B | ARG470 |
| B | TRP487 |
| B | HIS491 |
| B | PHE534 |
| B | THR558 |
| B | HIS560 |
| B | TRP589 |
| B | ANP1001 |
| B | HOH1116 |
| B | HOH1212 |
| site_id | AD6 |
| Number of Residues | 1 |
| Details | binding site for residue EDO B 1005 |
| Chain | Residue |
| B | LYS377 |
| site_id | AD7 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 1006 |
| Chain | Residue |
| B | PHE381 |
| B | GLU517 |
| B | ARG614 |
| site_id | AD8 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 1007 |
| Chain | Residue |
| B | GLU527 |
| B | ILE800 |
| B | PRO801 |
| B | PHE802 |
| B | ARG822 |
| site_id | AD9 |
| Number of Residues | 1 |
| Details | binding site for residue CL B 1009 |
| Chain | Residue |
| B | PHE473 |
| site_id | AE1 |
| Number of Residues | 22 |
| Details | binding site for residue ANP C 1001 |
| Chain | Residue |
| C | ARG470 |
| C | GLU472 |
| C | PHE479 |
| C | LEU480 |
| C | ARG481 |
| C | THR482 |
| C | PHE485 |
| C | GLN555 |
| C | THR558 |
| C | THR592 |
| C | ARG594 |
| C | MG1002 |
| C | MG1003 |
| C | 86X1004 |
| C | HOH1104 |
| C | HOH1112 |
| C | HOH1120 |
| C | HOH1125 |
| C | HOH1140 |
| C | HOH1148 |
| C | HOH1153 |
| C | HOH1196 |
| site_id | AE2 |
| Number of Residues | 2 |
| Details | binding site for residue MG C 1002 |
| Chain | Residue |
| C | ANP1001 |
| C | HOH1196 |
| site_id | AE3 |
| Number of Residues | 5 |
| Details | binding site for residue MG C 1003 |
| Chain | Residue |
| C | ANP1001 |
| C | HOH1120 |
| C | HOH1125 |
| C | HOH1140 |
| C | HOH1153 |
| site_id | AE4 |
| Number of Residues | 13 |
| Details | binding site for residue 86X C 1004 |
| Chain | Residue |
| C | PHE415 |
| C | GLU418 |
| C | VAL419 |
| C | PRO438 |
| C | THR439 |
| C | GLU441 |
| C | ARG470 |
| C | TRP487 |
| C | PHE534 |
| C | THR558 |
| C | HIS560 |
| C | ANP1001 |
| C | HOH1140 |
| site_id | AE5 |
| Number of Residues | 23 |
| Details | binding site for residue ANP D 1001 |
| Chain | Residue |
| D | ARG470 |
| D | GLU472 |
| D | PHE479 |
| D | LEU480 |
| D | ARG481 |
| D | THR482 |
| D | PHE485 |
| D | GLN555 |
| D | THR558 |
| D | THR592 |
| D | ARG594 |
| D | MG1002 |
| D | MG1003 |
| D | 86X1004 |
| D | HOH1101 |
| D | HOH1120 |
| D | HOH1128 |
| D | HOH1132 |
| D | HOH1134 |
| D | HOH1179 |
| D | HOH1183 |
| D | HOH1191 |
| D | HOH1197 |
| site_id | AE6 |
| Number of Residues | 4 |
| Details | binding site for residue MG D 1002 |
| Chain | Residue |
| D | ANP1001 |
| D | HOH1183 |
| D | HOH1227 |
| D | HOH1236 |
| site_id | AE7 |
| Number of Residues | 6 |
| Details | binding site for residue MG D 1003 |
| Chain | Residue |
| D | ARG470 |
| D | ANP1001 |
| D | HOH1101 |
| D | HOH1132 |
| D | HOH1134 |
| D | HOH1179 |
| site_id | AE8 |
| Number of Residues | 16 |
| Details | binding site for residue 86X D 1004 |
| Chain | Residue |
| D | PHE415 |
| D | GLU418 |
| D | VAL419 |
| D | PRO438 |
| D | THR439 |
| D | GLU441 |
| D | ARG470 |
| D | TRP487 |
| D | HIS491 |
| D | PHE534 |
| D | THR558 |
| D | HIS560 |
| D | SER588 |
| D | TRP589 |
| D | ANP1001 |
| D | HOH1179 |
| site_id | AE9 |
| Number of Residues | 3 |
| Details | binding site for residue EDO D 1005 |
| Chain | Residue |
| D | ARG582 |
| D | LEU583 |
| D | HOH1198 |
| site_id | AF1 |
| Number of Residues | 2 |
| Details | binding site for residue EDO D 1006 |
| Chain | Residue |
| D | SER362 |
| D | HOH1107 |
| site_id | AF2 |
| Number of Residues | 1 |
| Details | binding site for residue CL D 1008 |
| Chain | Residue |
| D | ASP650 |
