4P3P
Structural Basis for Full-Spectrum Inhibition of Threonyl-tRNA Synthetase by Borrelidin 3
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004812 | molecular_function | aminoacyl-tRNA ligase activity |
| A | 0004829 | molecular_function | threonine-tRNA ligase activity |
| A | 0005524 | molecular_function | ATP binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0006418 | biological_process | tRNA aminoacylation for protein translation |
| A | 0006435 | biological_process | threonyl-tRNA aminoacylation |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0004812 | molecular_function | aminoacyl-tRNA ligase activity |
| B | 0004829 | molecular_function | threonine-tRNA ligase activity |
| B | 0005524 | molecular_function | ATP binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0006418 | biological_process | tRNA aminoacylation for protein translation |
| B | 0006435 | biological_process | threonyl-tRNA aminoacylation |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 701 |
| Chain | Residue |
| A | CYS334 |
| A | HIS385 |
| A | HIS511 |
| A | HOH934 |
| site_id | AC2 |
| Number of Residues | 16 |
| Details | binding site for residue 2CR A 702 |
| Chain | Residue |
| A | TYR462 |
| A | THR482 |
| A | ASP486 |
| A | LEU489 |
| A | HIS511 |
| A | HOH823 |
| A | HOH863 |
| A | HOH893 |
| A | HOH922 |
| A | HOH925 |
| A | HOH986 |
| A | GLY308 |
| A | HIS309 |
| A | MET332 |
| A | ARG363 |
| A | GLN381 |
| site_id | AC3 |
| Number of Residues | 9 |
| Details | binding site for residue GOL A 703 |
| Chain | Residue |
| A | GLN291 |
| A | ILE340 |
| A | PHE341 |
| A | GLN343 |
| A | LYS346 |
| A | HOH865 |
| A | HOH916 |
| B | ASP252 |
| B | HIS267 |
| site_id | AC4 |
| Number of Residues | 9 |
| Details | binding site for residue GOL A 704 |
| Chain | Residue |
| A | VAL264 |
| A | TRP266 |
| A | GLU519 |
| A | HOH903 |
| A | HOH940 |
| A | HOH1027 |
| B | LYS294 |
| B | GLY295 |
| B | PRO296 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 701 |
| Chain | Residue |
| B | CYS334 |
| B | HIS385 |
| B | HIS511 |
| B | HOH920 |
| site_id | AC6 |
| Number of Residues | 13 |
| Details | binding site for residue 2CR B 702 |
| Chain | Residue |
| B | GLY308 |
| B | HIS309 |
| B | MET332 |
| B | ARG363 |
| B | GLN381 |
| B | TYR462 |
| B | THR482 |
| B | ASP486 |
| B | LEU489 |
| B | HIS511 |
| B | HOH828 |
| B | HOH855 |
| B | HOH1023 |
| site_id | AC7 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 703 |
| Chain | Residue |
| A | MET433 |
| A | HOH824 |
| B | ASP311 |
| B | LYS314 |
| B | HOH811 |
| B | HOH830 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 704 |
| Chain | Residue |
| B | VAL264 |
| B | TRP266 |
| B | GLU519 |
| B | HOH880 |
| B | HOH921 |
| B | HOH1078 |
| site_id | AC9 |
| Number of Residues | 9 |
| Details | binding site for residue GOL B 705 |
| Chain | Residue |
| A | ASP252 |
| A | HIS267 |
| B | GLN291 |
| B | ILE340 |
| B | PHE341 |
| B | GLN343 |
| B | LYS346 |
| B | HOH860 |
| B | HOH981 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 582 |
| Details | Region: {"description":"Catalytic","evidences":[{"source":"HAMAP-Rule","id":"MF_00184","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"10319817","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 214 |
| Details | Region: {"description":"Anticodon recognition","evidences":[{"source":"PubMed","id":"10319817","evidenceCode":"ECO:0000305"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 72 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"11953757","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 14 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"10319817","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1QF6","evidenceCode":"ECO:0007744"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 58 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"10319817","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 4 |
| Details | Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00184","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"10319817","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10881191","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11136973","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11953757","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"source":"HAMAP-Rule","id":"MF_00184","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"10319817","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"10881191","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"11136973","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"HAMAP-Rule","id":"MF_00184","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"18723842","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 7 |
| Details | M-CSA 540 |
| Chain | Residue | Details |
| A | CYS334 | electrostatic stabiliser, metal ligand |
| A | ARG363 | electrostatic stabiliser |
| A | GLN381 | electrostatic stabiliser |
| A | ASP383 | electrostatic stabiliser |
| A | HIS385 | metal ligand |
| A | LYS465 | electrostatic stabiliser |
| A | HIS511 | metal ligand |
| site_id | MCSA2 |
| Number of Residues | 7 |
| Details | M-CSA 540 |
| Chain | Residue | Details |
| B | CYS334 | electrostatic stabiliser, metal ligand |
| B | ARG363 | electrostatic stabiliser |
| B | GLN381 | electrostatic stabiliser |
| B | ASP383 | electrostatic stabiliser |
| B | HIS385 | metal ligand |
| B | LYS465 | electrostatic stabiliser |
| B | HIS511 | metal ligand |
