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 |