1SZD
Structural basis for nicotinamide cleavage and ADP-ribose transfer by NAD+-dependent Sir2 histone/protein deacetylases
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 | 32 |
| Details | BINDING SITE FOR RESIDUE APR A 1001 |
| Chain | Residue |
| A | ARG45 |
| A | GLU64 |
| A | GLN115 |
| A | GLY223 |
| A | THR224 |
| A | SER225 |
| A | VAL228 |
| A | ASN248 |
| A | LEU249 |
| A | GLN268 |
| A | TYR269 |
| A | SER270 |
| A | HOH1999 |
| A | HOH2003 |
| A | HOH2010 |
| A | HOH2015 |
| A | HOH2042 |
| A | HOH2133 |
| A | HOH2134 |
| A | HOH2135 |
| A | HOH2147 |
| A | HOH2153 |
| A | HOH2162 |
| A | HOH2239 |
| A | HOH2311 |
| B | ALY16 |
| B | HIS18 |
| A | GLY32 |
| A | ALA33 |
| A | GLY34 |
| A | THR37 |
| A | PHE44 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 1989 |
| Chain | Residue |
| A | SER193 |
| A | TRP196 |
| A | GLU237 |
| A | HOH2005 |
| B | LYS12 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL A 1990 |
| Chain | Residue |
| A | GLY50 |
| A | HOH2142 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE GOL A 1991 |
| Chain | Residue |
| A | LYS84 |
| A | TYR87 |
| A | ASN90 |
| A | LEU159 |
| A | ALA160 |
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 | 4 |
| Details | DNA_BIND: |
| Chain | Residue | Details |
| B | ARG17-ILE21 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 1 |
| Details | MOD_RES: N6-methyllysine; alternate => ECO:0000269|PubMed:22343720 |
| Chain | Residue | Details |
| B | GLY13 | |
| A | GLN115 | |
| A | GLY223 | |
| A | ASN248 | |
| A | SER270 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 1 |
| Details | MOD_RES: N6-acetyllysine => ECO:0000269|PubMed:11080160, ECO:0000269|PubMed:15150415, ECO:0000269|PubMed:17289592, ECO:0000269|PubMed:19113941 |
| Chain | Residue | Details |
| B | ARG17 | |
| 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 | CSA1 |
| Number of Residues | 8 |
| Details |
| Chain | Residue | Details |
| A | ASP118 | |
| A | PHE44 | |
| A | PHE44 | |
| A | PRO42 | |
| A | HIS135 | |
| A | ASP43 | |
| A | ARG45 | |
| A | ASN116 |
| 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 |
