4MCB
H.influenzae TrmD in complex with N-(4-{[(1H-IMIDAZOL-2-YLMETHYL)AMINO]METHYL}BENZYL)-4-OXO-3,4-DIHYDROTHIENO[2,3-D]PYRIMIDINE-5-CARBOXAMIDE
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0002939 | biological_process | tRNA N1-guanine methylation |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005829 | cellular_component | cytosol |
| A | 0006400 | biological_process | tRNA modification |
| A | 0008033 | biological_process | tRNA processing |
| A | 0008168 | molecular_function | methyltransferase activity |
| A | 0032259 | biological_process | methylation |
| A | 0052906 | molecular_function | tRNA (guanine(37)-N1)-methyltransferase activity |
| B | 0002939 | biological_process | tRNA N1-guanine methylation |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005829 | cellular_component | cytosol |
| B | 0006400 | biological_process | tRNA modification |
| B | 0008033 | biological_process | tRNA processing |
| B | 0008168 | molecular_function | methyltransferase activity |
| B | 0032259 | biological_process | methylation |
| B | 0052906 | molecular_function | tRNA (guanine(37)-N1)-methyltransferase activity |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE GOL A 301 |
| Chain | Residue |
| A | ALA103 |
| A | HOH516 |
| A | GLN104 |
| A | ASN105 |
| A | GLN106 |
| A | PHE155 |
| A | ILE156 |
| A | PRO157 |
| A | HOH431 |
| A | HOH488 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 A 302 |
| Chain | Residue |
| A | ARG68 |
| A | VAL186 |
| A | LEU187 |
| A | GLU188 |
| A | HOH445 |
| A | HOH447 |
| B | ARG68 |
| B | LEU187 |
| B | GLU188 |
| site_id | AC3 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE 21W A 303 |
| Chain | Residue |
| A | LEU87 |
| A | SER88 |
| A | PRO89 |
| A | TYR115 |
| A | GLU116 |
| A | SER132 |
| A | ILE133 |
| A | GLY134 |
| A | TYR136 |
| A | LEU138 |
| A | GLY140 |
| A | GLY141 |
| A | PRO144 |
| A | HOH408 |
| A | HOH580 |
| B | ASP169 |
| B | ALA172 |
| B | ASP173 |
| B | ASP177 |
| B | HOH538 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE ACT B 301 |
| Chain | Residue |
| B | TRP2 |
| B | ALA78 |
| site_id | AC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 B 302 |
| Chain | Residue |
| B | ALA103 |
| B | ASN105 |
| B | GLN106 |
| B | PHE155 |
| B | ILE156 |
| B | PRO157 |
| B | HOH473 |
| B | HOH551 |
| B | HOH562 |
| site_id | AC6 |
| Number of Residues | 14 |
| Details | BINDING SITE FOR RESIDUE 21W B 303 |
| Chain | Residue |
| B | LEU87 |
| B | SER88 |
| B | PRO89 |
| B | GLU116 |
| B | SER132 |
| B | ILE133 |
| B | GLY134 |
| B | TYR136 |
| B | LEU138 |
| B | GLY140 |
| B | GLY141 |
| B | PRO144 |
| B | HOH625 |
| B | HOH650 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 2 |
| Details | ACT_SITE: Proton acceptor => ECO:0000255 |
| Chain | Residue | Details |
| A | ASP169 | |
| B | ASP169 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 6 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | TYR86 | |
| A | GLY113 | |
| A | ILE133 | |
| B | TYR86 | |
| B | GLY113 | |
| B | ILE133 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 332 |
| Chain | Residue | Details |
| A | PRO89 | increase nucleophilicity, steric role |
| A | GLU116 | electrostatic stabiliser, hydrogen bond acceptor |
| A | ARG154 | activator, electrostatic stabiliser, hydrogen bond donor |
| A | ASP169 | activator, hydrogen bond acceptor, hydrogen bond donor, increase nucleophilicity, proton acceptor, proton donor |
| site_id | MCSA2 |
| Number of Residues | 4 |
| Details | M-CSA 332 |
| Chain | Residue | Details |
| B | PRO89 | increase nucleophilicity, steric role |
| B | GLU116 | electrostatic stabiliser, hydrogen bond acceptor |
| B | ARG154 | activator, electrostatic stabiliser, hydrogen bond donor |
| B | ASP169 | activator, hydrogen bond acceptor, hydrogen bond donor, increase nucleophilicity, proton acceptor, proton donor |
