2OD9
Structural Basis for Nicotinamide Inhibition and Base Exchange in Sir2 Enzymes
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 701 |
| Chain | Residue |
| A | CYS143 |
| A | CYS146 |
| A | CYS170 |
| A | CYS173 |
| site_id | AC2 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE A1R A 1001 |
| Chain | Residue |
| A | ARG45 |
| A | GLU64 |
| A | GLN115 |
| A | PHE184 |
| A | GLY223 |
| A | THR224 |
| A | SER225 |
| A | VAL228 |
| A | ASN248 |
| A | LEU249 |
| A | GLN268 |
| A | TYR269 |
| A | SER270 |
| A | NCA3721 |
| A | HOH3732 |
| A | HOH3744 |
| A | HOH3756 |
| A | HOH3816 |
| B | ALY16 |
| B | HIS18 |
| A | GLY32 |
| A | ALA33 |
| A | GLY34 |
| A | THR37 |
| A | PHE44 |
| site_id | AC3 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE NCA A 3721 |
| Chain | Residue |
| A | PHE44 |
| A | PHE67 |
| A | PHE184 |
| A | A1R1001 |
| A | HOH3748 |
| A | HOH3774 |
| B | ALY16 |
Functional Information from PROSITE/UniProt
| site_id | PS00047 |
| Number of Residues | 5 |
| Details | HISTONE_H4 Histone H4 signature. GAKRH |
| Chain | Residue | Details |
| B | GLY14-HIS18 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 1 |
| Details | ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00236, ECO:0000269|PubMed:20726530 |
| Chain | Residue | Details |
| A | HIS135 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 5 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:14502267, ECO:0000269|PubMed:15150415 |
| Chain | Residue | Details |
| A | GLY32 | |
| A | GLN115 | |
| A | GLY223 | |
| A | ASN248 | |
| A | SER270 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 4 |
| Details | BINDING: BINDING => ECO:0000255|PROSITE-ProRule:PRU00236, ECO:0000269|PubMed:14502267, ECO:0000269|PubMed:14604530, ECO:0000269|PubMed:15150415, ECO:0000269|PubMed:17289592 |
| Chain | Residue | Details |
| A | CYS143 | |
| A | CYS146 | |
| A | CYS170 | |
| A | CYS173 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 1 |
| Details | MOD_RES: N-acetylserine => ECO:0007744|PubMed:22814378 |
| Chain | Residue | Details |
| A | SER2 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 7 |
| Details | M-CSA 240 |
| Chain | Residue | Details |
| A | PRO42 | hydrogen bond acceptor, steric role |
| A | ASP43 | hydrogen bond acceptor, hydrogen bond donor, steric role |
| A | PHE44 | steric role, van der waals interaction |
| A | ARG45 | electrostatic stabiliser, hydrogen bond donor |
| A | ASN116 | activator, electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, increase nucleophilicity |
| A | ASP118 | activator, hydrogen bond acceptor |
| A | HIS135 | hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor |
