4MW2
Trypanosoma brucei methionyl-tRNA synthetase in complex with inhibitor 1-(3-{[5-chloro-2-hydroxy-3-(prop-2-en-1-yl)benzyl]amino}propyl)-3-thiophen-3-ylurea (Chem 1472)
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004812 | molecular_function | aminoacyl-tRNA ligase activity |
| A | 0004825 | molecular_function | methionine-tRNA ligase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0006418 | biological_process | tRNA aminoacylation for protein translation |
| A | 0006431 | biological_process | methionyl-tRNA aminoacylation |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0004812 | molecular_function | aminoacyl-tRNA ligase activity |
| B | 0004825 | molecular_function | methionine-tRNA ligase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0006418 | biological_process | tRNA aminoacylation for protein translation |
| B | 0006431 | biological_process | methionyl-tRNA aminoacylation |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 801 |
| Chain | Residue |
| A | PHE587 |
| A | PRO659 |
| A | ASP660 |
| A | ILE661 |
| A | GLN662 |
| site_id | AC2 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE GOL A 802 |
| Chain | Residue |
| A | ARG583 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 803 |
| Chain | Residue |
| A | VAL396 |
| A | SER366 |
| A | LYS382 |
| A | HIS395 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL A 804 |
| Chain | Residue |
| A | PRO731 |
| A | GLU732 |
| A | VAL733 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE GOL A 805 |
| Chain | Residue |
| A | TRP345 |
| A | TYR405 |
| A | PRO464 |
| A | HOH927 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL A 806 |
| Chain | Residue |
| A | VAL340 |
| A | GLU343 |
| A | LEU344 |
| A | LYS347 |
| A | LEU482 |
| A | ARG486 |
| site_id | AC7 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE GOL A 807 |
| Chain | Residue |
| A | ARG719 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE GOL A 808 |
| Chain | Residue |
| A | HIS289 |
| A | THR333 |
| A | LYS338 |
| A | ASN458 |
| A | TRP459 |
| A | ALA460 |
| A | CAS470 |
| site_id | AC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL A 809 |
| Chain | Residue |
| A | PRO445 |
| A | ASP446 |
| site_id | BC1 |
| Number of Residues | 1 |
| Details | BINDING SITE FOR RESIDUE DMS A 810 |
| Chain | Residue |
| A | DMS812 |
| site_id | BC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE DMS A 811 |
| Chain | Residue |
| A | PHE370 |
| A | LYS521 |
| A | TYR526 |
| site_id | BC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS A 812 |
| Chain | Residue |
| A | GLU435 |
| A | LYS521 |
| A | ILE525 |
| A | DMS810 |
| site_id | BC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE DMS A 813 |
| Chain | Residue |
| A | GLU392 |
| A | LYS517 |
| A | ASP518 |
| A | ILE519 |
| A | LEU520 |
| A | LYS521 |
| site_id | BC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 814 |
| Chain | Residue |
| A | ARG271 |
| A | VAL275 |
| A | SER714 |
| A | PRO718 |
| A | HOH969 |
| site_id | BC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE MET A 815 |
| Chain | Residue |
| A | ILE248 |
| A | TYR250 |
| A | ASP287 |
| A | TRP474 |
| A | ALA477 |
| A | ILE519 |
| A | THR549 |
| site_id | BC7 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 801 |
| Chain | Residue |
| A | TYR305 |
| B | HIS289 |
| B | THR333 |
| B | LYS338 |
| B | TRP459 |
| B | ALA460 |
| site_id | BC8 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE GOL B 802 |
| Chain | Residue |
| B | GLU343 |
| B | LEU344 |
| B | LEU482 |
| B | ARG486 |
| B | LEU536 |
| B | HOH977 |
| site_id | BC9 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL B 803 |
| Chain | Residue |
| B | ARG583 |
| B | ARG601 |
| site_id | CC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 804 |
| Chain | Residue |
| B | ARG271 |
| B | VAL275 |
| B | SER714 |
| B | PRO718 |
| B | HOH1023 |
| site_id | CC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 805 |
| Chain | Residue |
| B | TYR249 |
| B | TYR250 |
| B | HIS259 |
| B | 2E9808 |
| site_id | CC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE SO4 B 806 |
| Chain | Residue |
| B | ARG408 |
| B | VAL733 |
| site_id | CC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE DMS B 807 |
| Chain | Residue |
| B | PHE319 |
| B | TYR324 |
| B | ILE326 |
| B | HOH1012 |
| site_id | CC5 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE 2E9 B 808 |
| Chain | Residue |
| B | HIS523 |
| B | SO4805 |
| B | ILE248 |
| B | TYR250 |
| B | ASP287 |
| B | HIS289 |
| B | VAL473 |
| B | TRP474 |
| B | ASP476 |
| B | LEU478 |
| B | TYR481 |
| B | ILE519 |
| B | PHE522 |
