1QNT
X-ray structure of human O6alkylguanine-DNA alkyltransferase
Functional Information from GO Data
Functional Information from PROSITE/UniProt
| site_id | PS00374 |
| Number of Residues | 7 |
| Details | MGMT Methylated-DNA--protein-cysteine methyltransferase active site. IPCHRVV |
| Chain | Residue | Details |
| A | ILE143-VAL149 |
| site_id | PS00639 |
| Number of Residues | 11 |
| Details | THIOL_PROTEASE_HIS Eukaryotic thiol (cysteine) proteases histidine active site. GLHEIKLLGKG |
| Chain | Residue | Details |
| A | GLY27-GLY37 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: Nucleophile; methyl group acceptor |
| Chain | Residue | Details |
| A | CYS145 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | BINDING: |
| Chain | Residue | Details |
| A | CYS5 | |
| A | CYS24 | |
| A | HIS29 | |
| A | HIS85 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 6 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:10747039, ECO:0000269|PubMed:15964013 |
| Chain | Residue | Details |
| A | THR95 | |
| A | TYR114 | |
| A | GLN115 | |
| A | ASN123 | |
| A | ARG128 | |
| A | SER151 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:23186163 |
| Chain | Residue | Details |
| A | SER14 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1eh6 |
| Chain | Residue | Details |
| A | GLU172 | |
| A | CYS145 | |
| A | ASN137 | |
| A | HIS146 |
| site_id | MCSA1 |
| Number of Residues | 5 |
| Details | M-CSA 251 |
| Chain | Residue | Details |
| A | TYR114 | hydrogen bond donor, proton donor |
| A | ASN137 | electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor |
| A | CYS145 | hydrogen bond donor, nucleophile, proton donor |
| A | HIS146 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor |
| A | GLU172 | hydrogen bond acceptor, increase basicity |
