4I5I
Crystal structure of the SIRT1 catalytic domain bound to NAD and an EX527 analog
Functional Information from GO Data
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE 4I5 A 601 |
| Chain | Residue |
| A | ILE270 |
| A | VAL412 |
| A | PHE413 |
| A | NAD602 |
| A | HOH702 |
| A | PRO271 |
| A | PHE273 |
| A | PHE297 |
| A | GLN345 |
| A | ASN346 |
| A | ILE347 |
| A | ASP348 |
| A | ILE411 |
| site_id | AC2 |
| Number of Residues | 29 |
| Details | BINDING SITE FOR RESIDUE NAD A 602 |
| Chain | Residue |
| A | GLY261 |
| A | ALA262 |
| A | GLY263 |
| A | VAL266 |
| A | ASP272 |
| A | PHE273 |
| A | ARG274 |
| A | TYR280 |
| A | GLN294 |
| A | PHE297 |
| A | GLN345 |
| A | HIS363 |
| A | VAL412 |
| A | PHE414 |
| A | GLY440 |
| A | SER441 |
| A | SER442 |
| A | VAL445 |
| A | ASN465 |
| A | ARG466 |
| A | GLU467 |
| A | GLY480 |
| A | ASP481 |
| A | CYS482 |
| A | LEU507 |
| A | 4I5601 |
| A | HOH712 |
| A | HOH717 |
| A | HOH752 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 603 |
| Chain | Residue |
| A | CYS371 |
| A | CYS374 |
| A | CYS395 |
| A | CYS398 |
| site_id | AC4 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE 4I5 B 601 |
| Chain | Residue |
| B | ILE270 |
| B | PRO271 |
| B | PHE273 |
| B | PHE297 |
| B | GLN345 |
| B | ASN346 |
| B | ILE347 |
| B | ASP348 |
| B | ILE411 |
| B | VAL412 |
| B | PHE413 |
| B | NAD602 |
| B | HOH704 |
| site_id | AC5 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE NAD B 602 |
| Chain | Residue |
| B | GLY261 |
| B | ALA262 |
| B | GLY263 |
| B | VAL266 |
| B | ASP272 |
| B | PHE273 |
| B | ARG274 |
| B | TYR280 |
| B | GLN294 |
| B | PHE297 |
| B | GLN345 |
| B | HIS363 |
| B | VAL412 |
| B | PHE414 |
| B | GLY440 |
| B | SER441 |
| B | SER442 |
| B | VAL445 |
| B | ASN465 |
| B | ARG466 |
| B | GLU467 |
| B | GLY480 |
| B | ASP481 |
| B | CYS482 |
| B | LEU507 |
| B | 4I5601 |
| B | HOH713 |
| B | HOH718 |
| B | HOH727 |
| B | HOH752 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B 603 |
| Chain | Residue |
| B | CYS371 |
| B | CYS374 |
| B | CYS395 |
| B | CYS398 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 6 |
| Details | Region: {"description":"Required for interaction with the sumoylated form of CCAR2","evidences":[{"source":"PubMed","id":"25406032","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI2 |
| Number of Residues | 12 |
| Details | Motif: {"description":"Nuclear export signal","evidences":[{"evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00236","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"11672523","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12006491","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12535671","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"17290224","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18004385","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18235501","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"18485871","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"19934257","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"25406032","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"28497810","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"38512451","evidenceCode":"ECO:0000269"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI4 |
| Number of Residues | 52 |
| Details | Binding site: {"evidences":[{"source":"UniProtKB","id":"Q8IXJ6","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI5 |
| Number of Residues | 8 |
| Details | Binding site: {"evidences":[{"source":"PROSITE-ProRule","id":"PRU00236","evidenceCode":"ECO:0000255"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | Binding site: {"evidences":[{"evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI7 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"N6-acetyllysine","evidences":[{"source":"UniProtKB","id":"Q923E4","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
| site_id | SWS_FT_FI8 |
| Number of Residues | 4 |
| Details | Modified residue: {"description":"S-nitrosocysteine","evidences":[{"source":"UniProtKB","id":"Q923E4","evidenceCode":"ECO:0000250"}]} |
| Chain | Residue | Details |
