1M0E
ZEBULARINE: A NOVEL DNA METHYLATION INHIBITOR THAT FORMS A COVALENT COMPLEX WITH DNA METHYLTRANSFERASE
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0003677 | molecular_function | DNA binding |
| A | 0003886 | molecular_function | DNA (cytosine-5-)-methyltransferase activity |
| A | 0008168 | molecular_function | methyltransferase activity |
| A | 0009307 | biological_process | DNA restriction-modification system |
| A | 0016740 | molecular_function | transferase activity |
| A | 0032259 | biological_process | methylation |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE SAH A 328 |
| Chain | Residue |
| A | PHE18 |
| A | ILE61 |
| A | GLY78 |
| A | ASN304 |
| A | SER305 |
| A | VAL306 |
| A | HOH335 |
| A | HOH348 |
| A | HOH350 |
| A | HOH357 |
| A | HOH361 |
| A | ALA19 |
| A | HOH369 |
| A | HOH374 |
| A | GLY20 |
| A | LEU21 |
| A | GLY23 |
| A | ASN39 |
| A | GLU40 |
| A | TRP41 |
| A | ASP60 |
Functional Information from PROSITE/UniProt
| site_id | PS00094 |
| Number of Residues | 13 |
| Details | C5_MTASE_1 C-5 cytosine-specific DNA methylases active site. DiLcaGfPCqAFS |
| Chain | Residue | Details |
| A | ASP73-SER85 |
| site_id | PS00095 |
| Number of Residues | 19 |
| Details | C5_MTASE_2 C-5 cytosine-specific DNA methylases C-terminal signature. KqfGNSVvInVlqyIaynI |
| Chain | Residue | Details |
| A | LYS300-ILE318 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: ACT_SITE => ECO:0000305|PubMed:7899082 |
| Chain | Residue | Details |
| A | CYS81 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 4 |
| Details | M-CSA 293 |
| Chain | Residue | Details |
| A | CYS81 | covalently attached, hydrogen bond acceptor, nucleofuge, nucleophile, polar interaction, proton acceptor, proton donor |
| A | GLU119 | attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond acceptor, increase electrophilicity |
| A | ARG163 | attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond donor, increase electrophilicity |
| A | ARG165 | attractive charge-charge interaction, electrostatic stabiliser, hydrogen bond donor, increase electrophilicity |
