6EQS
Human Sirt5 in complex with stalled peptidylimidate intermediate of inhibitory compound 29
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0036054 | molecular_function | protein-malonyllysine demalonylase activity |
| A | 0036055 | molecular_function | protein-succinyllysine desuccinylase activity |
| A | 0070403 | molecular_function | NAD+ binding |
| B | 0036054 | molecular_function | protein-malonyllysine demalonylase activity |
| B | 0036055 | molecular_function | protein-succinyllysine desuccinylase activity |
| B | 0070403 | molecular_function | NAD+ binding |
| C | 0036054 | molecular_function | protein-malonyllysine demalonylase activity |
| C | 0036055 | molecular_function | protein-succinyllysine desuccinylase activity |
| C | 0070403 | molecular_function | NAD+ binding |
| D | 0036054 | molecular_function | protein-malonyllysine demalonylase activity |
| D | 0036055 | molecular_function | protein-succinyllysine desuccinylase activity |
| D | 0070403 | molecular_function | NAD+ binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | binding site for residue ZN A 401 |
| Chain | Residue |
| A | CYS166 |
| A | CYS169 |
| A | CYS207 |
| A | CYS212 |
| site_id | AC2 |
| Number of Residues | 36 |
| Details | binding site for residue BV8 A 402 |
| Chain | Residue |
| A | PHE70 |
| A | ARG71 |
| A | TYR102 |
| A | ARG105 |
| A | GLN140 |
| A | ILE142 |
| A | HIS158 |
| A | VAL221 |
| A | PHE223 |
| A | GLY224 |
| A | GLU225 |
| A | ASN226 |
| A | GLY249 |
| A | THR250 |
| A | SER251 |
| A | VAL253 |
| A | VAL254 |
| A | TYR255 |
| A | ASN275 |
| A | THR276 |
| A | GLU277 |
| A | PRO292 |
| A | CYS293 |
| A | DMS410 |
| A | HOH519 |
| A | HOH523 |
| A | HOH544 |
| A | HOH652 |
| A | HOH663 |
| A | HOH669 |
| D | BV8402 |
| A | GLY58 |
| A | ALA59 |
| A | GLY60 |
| A | GLU64 |
| A | THR69 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue EDO A 403 |
| Chain | Residue |
| A | ARG105 |
| A | EDO404 |
| A | HOH571 |
| A | HOH670 |
| site_id | AC4 |
| Number of Residues | 9 |
| Details | binding site for residue EDO A 404 |
| Chain | Residue |
| A | PRO68 |
| A | THR69 |
| A | PHE70 |
| A | GLY74 |
| A | GLY75 |
| A | ALA82 |
| A | ARG105 |
| A | EDO403 |
| A | HOH571 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 405 |
| Chain | Residue |
| A | GLY186 |
| A | LYS187 |
| A | EDO406 |
| A | HOH525 |
| A | HOH662 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 406 |
| Chain | Residue |
| A | HIS103 |
| A | GLU107 |
| A | SER185 |
| A | GLY186 |
| A | EDO405 |
| C | GLU174 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 407 |
| Chain | Residue |
| A | ALA210 |
| A | GLY211 |
| A | GLY213 |
| A | GLU299 |
| A | HOH518 |
| site_id | AC8 |
| Number of Residues | 9 |
| Details | binding site for residue BU2 A 408 |
| Chain | Residue |
| A | PRO182 |
| A | GLU202 |
| A | LYS203 |
| A | LEU204 |
| A | ARG206 |
| A | GLU208 |
| A | HOH506 |
| A | HOH588 |
| A | HOH696 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | binding site for residue BU2 A 409 |
| Chain | Residue |
| A | HOH685 |
| D | ASP236 |
| D | LEU239 |
| D | ALA240 |
| D | GLN263 |
| D | ARG267 |
| D | HOH638 |
| site_id | AD1 |
| Number of Residues | 1 |
| Details | binding site for residue DMS A 410 |
| Chain | Residue |
| A | BV8402 |
| site_id | AD2 |
| Number of Residues | 3 |
| Details | binding site for residue DMS A 411 |
| Chain | Residue |
| A | ALA122 |
| A | THR126 |
| A | ALA149 |
| site_id | AD3 |
| Number of Residues | 4 |
| Details | binding site for residue ZN B 401 |
| Chain | Residue |
| B | CYS166 |
| B | CYS169 |
| B | CYS207 |
| B | CYS212 |
| site_id | AD4 |
| Number of Residues | 38 |
| Details | binding site for residue BV8 B 402 |
| Chain | Residue |
| B | PHE70 |
| B | ARG71 |
| B | TYR102 |
| B | ARG105 |
| B | GLN140 |
| B | ILE142 |
| B | HIS158 |
| B | VAL221 |
| B | PHE223 |
| B | GLY224 |
| B | GLU225 |
| B | ASN226 |
| B | GLY249 |
| B | THR250 |
| B | SER251 |
| B | VAL254 |
| B | TYR255 |
| B | ASN275 |
| B | THR276 |
| B | GLU277 |
| B | PRO292 |
| B | CYS293 |
| B | BU2409 |
| B | BU2410 |
| B | HOH519 |
| B | HOH531 |
| B | HOH540 |
| B | HOH625 |
| B | HOH646 |
| B | HOH689 |
| B | HOH728 |
| C | BV8402 |
| B | GLY58 |
| B | ALA59 |
| B | GLY60 |
| B | ALA63 |
| B | GLU64 |
| B | THR69 |
| site_id | AD5 |
| Number of Residues | 6 |
| Details | binding site for residue EDO B 403 |
| Chain | Residue |
| B | VAL67 |
| B | ARG105 |
| B | LEU161 |
| B | BU2408 |
| B | HOH538 |
| B | HOH570 |
| site_id | AD6 |
| Number of Residues | 3 |
| Details | binding site for residue EDO B 404 |
| Chain | Residue |
| B | GLY186 |
| B | LYS187 |
| B | EDO406 |
| site_id | AD7 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 405 |
| Chain | Residue |
| B | TYR76 |
| B | ASN153 |
| B | PRO190 |
| B | HOH581 |
| site_id | AD8 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 406 |
| Chain | Residue |
| B | HIS103 |
| B | GLU107 |
| B | SER178 |
| B | GLY186 |
| B | EDO404 |
| site_id | AD9 |
| Number of Residues | 1 |
| Details | binding site for residue EDO B 407 |
| Chain | Residue |
| B | LYS49 |
| site_id | AE1 |
| Number of Residues | 9 |
| Details | binding site for residue BU2 B 408 |
| Chain | Residue |
| B | PRO68 |
| B | THR69 |
| B | PHE70 |
| B | GLY74 |
| B | GLY75 |
| B | TYR76 |
| B | PHE101 |
| B | EDO403 |
| B | HOH524 |
| site_id | AE2 |
| Number of Residues | 6 |
| Details | binding site for residue BU2 B 409 |
| Chain | Residue |
| B | ASN226 |
| B | BV8402 |
| B | HOH526 |
| C | SER252 |
| C | VAL253 |
| C | PRO280 |
| site_id | AE3 |
| Number of Residues | 4 |
| Details | binding site for residue BU2 B 410 |
| Chain | Residue |
| B | ARG71 |
| B | GLN83 |
| B | SER251 |
| B | BV8402 |
| site_id | AE4 |
| Number of Residues | 4 |
| Details | binding site for residue ZN C 401 |
| Chain | Residue |
| C | CYS166 |
| C | CYS169 |
| C | CYS207 |
| C | CYS212 |
| site_id | AE5 |
| Number of Residues | 47 |
| Details | binding site for residue BV8 C 402 |
| Chain | Residue |
| B | ASN226 |
| B | LEU232 |
| B | ASP236 |
| B | PRO256 |
| B | MET259 |
| B | PHE260 |
| B | GLN263 |
| B | BV8402 |
| C | GLY58 |
| C | ALA59 |
| C | GLY60 |
| C | ALA63 |
| C | GLU64 |
| C | THR69 |
| C | PHE70 |
| C | ARG71 |
| C | ALA86 |
| C | TYR102 |
| C | ARG105 |
| C | GLN140 |
| C | ILE142 |
| C | HIS158 |
| C | VAL221 |
| C | TRP222 |
| C | PHE223 |
| C | GLY224 |
| C | GLU225 |
| C | ASN226 |
| C | GLY249 |
| C | THR250 |
| C | SER251 |
| C | VAL254 |
| C | TYR255 |
| C | PRO256 |
| C | ASN275 |
| C | THR276 |
| C | GLU277 |
| C | PRO292 |
| C | CYS293 |
| C | BU2406 |
| C | HOH511 |
| C | HOH533 |
| C | HOH548 |
| C | HOH606 |
| C | HOH625 |
| C | HOH654 |
| C | HOH671 |
| site_id | AE6 |
| Number of Residues | 6 |
| Details | binding site for residue EDO C 403 |
| Chain | Residue |
| C | VAL67 |
| C | ARG105 |
| C | LEU161 |
| C | HOH552 |
| C | HOH599 |
| C | HOH620 |
| site_id | AE7 |
| Number of Residues | 1 |
| Details | binding site for residue EDO C 404 |
| Chain | Residue |
| C | HIS219 |
| site_id | AE8 |
| Number of Residues | 1 |
| Details | binding site for residue EDO C 405 |
| Chain | Residue |
| C | ARG97 |
| site_id | AE9 |
| Number of Residues | 6 |
| Details | binding site for residue BU2 C 406 |
| Chain | Residue |
| C | PHE70 |
| C | ARG71 |
| C | GLN83 |
| C | SER251 |
| C | VAL254 |
| C | BV8402 |
| site_id | AF1 |
| Number of Residues | 4 |
| Details | binding site for residue ZN D 401 |
| Chain | Residue |
| D | CYS166 |
| D | CYS169 |
| D | CYS207 |
| D | CYS212 |
| site_id | AF2 |
| Number of Residues | 45 |
| Details | binding site for residue BV8 D 402 |
| Chain | Residue |
| A | ASN226 |
| A | VAL235 |
| A | LEU239 |
| A | PRO256 |
| A | MET259 |
| A | GLN263 |
| A | BV8402 |
| D | GLY58 |
| D | ALA59 |
| D | GLY60 |
| D | GLU64 |
| D | THR69 |
| D | PHE70 |
| D | ARG71 |
| D | GLN83 |
| D | ALA86 |
| D | TYR102 |
| D | ARG105 |
| D | GLN140 |
| D | ILE142 |
| D | HIS158 |
| D | VAL221 |
| D | PHE223 |
| D | GLY224 |
| D | GLU225 |
| D | ASN226 |
| D | GLY249 |
| D | THR250 |
| D | SER251 |
| D | VAL254 |
| D | TYR255 |
| D | PRO256 |
| D | ASN275 |
| D | THR276 |
| D | GLU277 |
| D | PRO292 |
| D | CYS293 |
| D | EDO404 |
| D | HOH515 |
| D | HOH542 |
| D | HOH546 |
| D | HOH642 |
| D | HOH649 |
| D | HOH650 |
| D | HOH659 |
| site_id | AF3 |
| Number of Residues | 6 |
| Details | binding site for residue EDO D 403 |
| Chain | Residue |
| D | VAL67 |
| D | ARG105 |
| D | LEU161 |
| D | HOH562 |
| D | HOH639 |
| D | HOH669 |
| site_id | AF4 |
| Number of Residues | 4 |
| Details | binding site for residue EDO D 404 |
| Chain | Residue |
| D | PHE70 |
| D | GLN83 |
| D | VAL254 |
| D | BV8402 |
| site_id | AF5 |
| Number of Residues | 4 |
| Details | binding site for residue BU2 D 405 |
| Chain | Residue |
| D | HIS103 |
| D | GLY186 |
| D | LYS187 |
| D | HOH503 |
| site_id | AF6 |
| Number of Residues | 2 |
| Details | binding site for residue BU2 D 406 |
| Chain | Residue |
| D | THR126 |
| D | HOH625 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00236, ECO:0000269|PubMed:22076378, ECO:0000269|PubMed:29180469 |
| Chain | Residue | Details |
| A | HIS158 | |
| B | HIS158 | |
| C | HIS158 | |
| D | HIS158 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 20 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_03160, ECO:0000269|PubMed:22076378, ECO:0000269|PubMed:22767592, ECO:0000269|Ref.19 |
| Chain | Residue | Details |
| A | GLY58 | |
| B | CYS293 | |
| C | GLY58 | |
| C | GLN140 | |
| C | GLY249 | |
| C | ASN275 | |
| C | CYS293 | |
| D | GLY58 | |
| D | GLN140 | |
| D | GLY249 | |
| D | ASN275 | |
| A | GLN140 | |
| D | CYS293 | |
| A | GLY249 | |
| A | ASN275 | |
| A | CYS293 | |
| B | GLY58 | |
| B | GLN140 | |
| B | GLY249 | |
| B | ASN275 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 24 |
| Details | BINDING: BINDING => ECO:0000255|HAMAP-Rule:MF_03160 |
| Chain | Residue | Details |
| A | TYR102 | |
| B | CYS169 | |
| B | CYS207 | |
| B | CYS212 | |
| C | TYR102 | |
| C | ARG105 | |
| C | CYS166 | |
| C | CYS169 | |
| C | CYS207 | |
| C | CYS212 | |
| D | TYR102 | |
| A | ARG105 | |
| D | ARG105 | |
| D | CYS166 | |
| D | CYS169 | |
| D | CYS207 | |
| D | CYS212 | |
| A | CYS166 | |
| A | CYS169 | |
| A | CYS207 | |
| A | CYS212 | |
| B | TYR102 | |
| B | ARG105 | |
| B | CYS166 |
