4PY2
Crystal structure of methionyl-tRNA synthetase MetRS from Brucella melitensis in complex with inhibitor 1-{3-[(3,5-DICHLOROBENZYL)AMINO]PROPYL}-3-THIOPHEN-3-YLUREA
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 | 0005737 | cellular_component | cytoplasm |
| A | 0006412 | biological_process | translation |
| A | 0006418 | biological_process | tRNA aminoacylation for protein translation |
| A | 0006431 | biological_process | methionyl-tRNA aminoacylation |
| A | 0016874 | molecular_function | ligase activity |
| 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 | 0005737 | cellular_component | cytoplasm |
| B | 0006412 | biological_process | translation |
| B | 0006418 | biological_process | tRNA aminoacylation for protein translation |
| B | 0006431 | biological_process | methionyl-tRNA aminoacylation |
| B | 0016874 | molecular_function | ligase activity |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0004812 | molecular_function | aminoacyl-tRNA ligase activity |
| C | 0004825 | molecular_function | methionine-tRNA ligase activity |
| C | 0005524 | molecular_function | ATP binding |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0006412 | biological_process | translation |
| C | 0006418 | biological_process | tRNA aminoacylation for protein translation |
| C | 0006431 | biological_process | methionyl-tRNA aminoacylation |
| C | 0016874 | molecular_function | ligase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE 43E A 601 |
| Chain | Residue |
| A | ILE12 |
| A | TYR237 |
| A | ILE265 |
| A | HOH826 |
| A | TYR14 |
| A | ASP51 |
| A | HIS53 |
| A | GLY54 |
| A | MET227 |
| A | VAL229 |
| A | TRP230 |
| A | ASP232 |
| site_id | AC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO A 602 |
| Chain | Residue |
| A | ARG35 |
| A | ARG38 |
| site_id | AC3 |
| Number of Residues | 18 |
| Details | BINDING SITE FOR RESIDUE 43E B 601 |
| Chain | Residue |
| B | ILE12 |
| B | TYR14 |
| B | ASP51 |
| B | HIS53 |
| B | GLY54 |
| B | PHE213 |
| B | MET227 |
| B | TYR228 |
| B | VAL229 |
| B | TRP230 |
| B | ASP232 |
| B | ALA233 |
| B | TYR237 |
| B | ILE265 |
| B | HIS269 |
| B | HOH706 |
| B | HOH776 |
| B | HOH922 |
| site_id | AC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO B 602 |
| Chain | Residue |
| B | ARG35 |
| B | ARG38 |
| B | HOH936 |
| site_id | AC5 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE EDO B 603 |
| Chain | Residue |
| B | PRO68 |
| B | ARG69 |
| B | TRP215 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO B 604 |
| Chain | Residue |
| B | LEU320 |
| B | ASP321 |
| B | GLN322 |
| B | GLN466 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO B 605 |
| Chain | Residue |
| B | ARG80 |
| B | GLU84 |
| B | ASN90 |
| B | HOH795 |
| B | HOH903 |
| site_id | AC8 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE 43E C 601 |
| Chain | Residue |
| C | ILE12 |
| C | TYR14 |
| C | ASP51 |
| C | HIS53 |
| C | GLY54 |
| C | MET227 |
| C | TYR228 |
| C | VAL229 |
| C | TRP230 |
| C | ASP232 |
| C | TYR237 |
| C | HIS269 |
| C | HOH733 |
| site_id | AC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE EDO C 602 |
| Chain | Residue |
| C | THR67 |
| C | PRO68 |
| C | ARG69 |
| C | HOH743 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE EDO C 603 |
| Chain | Residue |
| C | TYR119 |
| C | GLY121 |
| C | GLY122 |
| C | PHE165 |
| C | HOH752 |
Functional Information from PROSITE/UniProt
| site_id | PS00178 |
| Number of Residues | 10 |
| Details | AA_TRNA_LIGASE_I Aminoacyl-transfer RNA synthetases class-I signature. P..NGkPHIGHA |
| Chain | Residue | Details |
| A | PRO15-ALA24 |
