4BN5
Structure of human SIRT3 in complex with SRT1720 inhibitor
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0017136 | molecular_function | NAD-dependent histone deacetylase activity |
| A | 0051287 | molecular_function | NAD binding |
| A | 0070403 | molecular_function | NAD+ binding |
| B | 0017136 | molecular_function | NAD-dependent histone deacetylase activity |
| B | 0051287 | molecular_function | NAD binding |
| B | 0070403 | molecular_function | NAD+ binding |
| C | 0017136 | molecular_function | NAD-dependent histone deacetylase activity |
| C | 0051287 | molecular_function | NAD binding |
| C | 0070403 | molecular_function | NAD+ binding |
| D | 0017136 | molecular_function | NAD-dependent histone deacetylase activity |
| D | 0051287 | molecular_function | NAD binding |
| D | 0070403 | molecular_function | NAD+ binding |
| E | 0017136 | molecular_function | NAD-dependent histone deacetylase activity |
| E | 0051287 | molecular_function | NAD binding |
| E | 0070403 | molecular_function | NAD+ binding |
| F | 0017136 | molecular_function | NAD-dependent histone deacetylase activity |
| F | 0051287 | molecular_function | NAD binding |
| F | 0070403 | molecular_function | NAD+ binding |
| G | 0017136 | molecular_function | NAD-dependent histone deacetylase activity |
| G | 0051287 | molecular_function | NAD binding |
| G | 0070403 | molecular_function | NAD+ binding |
| H | 0017136 | molecular_function | NAD-dependent histone deacetylase activity |
| H | 0051287 | molecular_function | NAD binding |
| H | 0070403 | molecular_function | NAD+ binding |
| I | 0017136 | molecular_function | NAD-dependent histone deacetylase activity |
| I | 0051287 | molecular_function | NAD binding |
| I | 0070403 | molecular_function | NAD+ binding |
| J | 0017136 | molecular_function | NAD-dependent histone deacetylase activity |
| J | 0051287 | molecular_function | NAD binding |
| J | 0070403 | molecular_function | NAD+ binding |
| K | 0017136 | molecular_function | NAD-dependent histone deacetylase activity |
| K | 0051287 | molecular_function | NAD binding |
| K | 0070403 | molecular_function | NAD+ binding |
| L | 0017136 | molecular_function | NAD-dependent histone deacetylase activity |
| L | 0051287 | molecular_function | NAD binding |
| L | 0070403 | molecular_function | NAD+ binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 23 |
| Details | BINDING SITE FOR RESIDUE CNA A 1395 |
| Chain | Residue |
| A | ALA146 |
| A | ILE230 |
| A | ASP231 |
| A | HIS248 |
| A | GLY319 |
| A | THR320 |
| A | SER321 |
| A | VAL324 |
| A | ASN344 |
| A | ARG345 |
| A | ASP346 |
| A | GLY147 |
| A | GLY364 |
| A | ASP365 |
| A | VAL366 |
| A | SR71396 |
| A | SER149 |
| A | THR150 |
| A | ILE154 |
| A | ASP156 |
| A | ARG158 |
| A | GLN228 |
| A | ASN229 |
| site_id | AC2 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SR7 A 1396 |
| Chain | Residue |
| A | PRO155 |
| A | ASP156 |
| A | PHE157 |
| A | ARG158 |
| A | GLU177 |
| A | PHE180 |
| A | HIS248 |
| A | VAL292 |
| A | PHE294 |
| A | CNA1395 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 1397 |
| Chain | Residue |
| A | CYS256 |
| A | CYS259 |
| A | CYS280 |
| A | CYS283 |
| site_id | AC4 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE CNA B 1395 |
| Chain | Residue |
| B | ALA146 |
| B | GLY147 |
| B | SER149 |
| B | THR150 |
| B | ILE154 |
| B | ASP156 |
| B | ARG158 |
| B | GLN228 |
| B | ASN229 |
| B | ILE230 |
| B | ASP231 |
| B | HIS248 |
| B | GLY319 |
| B | THR320 |
| B | SER321 |
| B | ASN344 |
| B | ARG345 |
| B | ASP346 |
| B | GLY364 |
| B | VAL366 |
| B | SR71396 |
| site_id | AC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SR7 B 1396 |
| Chain | Residue |
| B | PRO155 |
| B | ASP156 |
| B | PHE157 |
| B | ARG158 |
| B | PHE180 |
| B | HIS248 |
| B | VAL292 |
| B | PHE294 |
| B | CNA1395 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B 1397 |
| Chain | Residue |
| B | CYS256 |
| B | CYS259 |
| B | CYS280 |
| B | CYS283 |
| site_id | AC7 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE CNA C 1395 |
| Chain | Residue |
| C | ALA146 |
| C | GLY147 |
| C | THR150 |
| C | ILE154 |
| C | ASP156 |
| C | ARG158 |
| C | GLN228 |
| C | ILE230 |
| C | ASP231 |
| C | HIS248 |
| C | GLY319 |
| C | THR320 |
| C | SER321 |
| C | VAL324 |
| C | ASN344 |
| C | ARG345 |
| C | ASP346 |
| C | GLY364 |
| C | ASP365 |
| C | VAL366 |
| C | SR71397 |
| site_id | AC8 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL C 1396 |
| Chain | Residue |
| A | ARG301 |
| C | ARG301 |
| site_id | AC9 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SR7 C 1397 |
| Chain | Residue |
| C | ILE230 |
| C | HIS248 |
| C | VAL292 |
| C | PHE294 |
| C | CNA1395 |
| C | PRO155 |
| C | ASP156 |
| C | PHE157 |
| C | ARG158 |
| C | PHE180 |
| site_id | BC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN C 1398 |
| Chain | Residue |
| C | CYS256 |
| C | CYS259 |
| C | CYS280 |
| C | CYS283 |
| site_id | BC2 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE CNA D 1394 |
| Chain | Residue |
| D | ALA146 |
| D | GLY147 |
| D | SER149 |
| D | THR150 |
| D | ILE154 |
| D | ASP156 |
| D | ARG158 |
| D | GLN228 |
| D | ASN229 |
| D | ILE230 |
| D | ASP231 |
| D | HIS248 |
| D | THR320 |
| D | SER321 |
| D | VAL324 |
| D | ASN344 |
| D | ARG345 |
| D | GLY364 |
| D | ASP365 |
| D | VAL366 |
| D | SR71396 |
| site_id | BC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE GOL D 1395 |
| Chain | Residue |
| B | ARG301 |
| D | GLN300 |
| D | ARG301 |
| site_id | BC4 |
| Number of Residues | 12 |
| Details | BINDING SITE FOR RESIDUE SR7 D 1396 |
| Chain | Residue |
| D | PRO155 |
| D | ASP156 |
| D | PHE157 |
| D | ARG158 |
| D | PHE180 |
| D | LEU199 |
| D | ILE230 |
| D | HIS248 |
| D | VAL292 |
| D | PHE293 |
| D | PHE294 |
| D | CNA1394 |
| site_id | BC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN D 1397 |
| Chain | Residue |
| D | CYS256 |
| D | CYS259 |
| D | CYS280 |
| D | CYS283 |
| site_id | BC6 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE CNA E 1395 |
| Chain | Residue |
| D | GLN170 |
| E | ALA146 |
| E | GLY147 |
| E | SER149 |
| E | THR150 |
| E | ASP156 |
| E | ARG158 |
| E | GLN228 |
| E | ASN229 |
| E | ILE230 |
| E | ASP231 |
| E | HIS248 |
| E | GLY319 |
| E | THR320 |
| E | SER321 |
| E | ASN344 |
| E | ARG345 |
| E | GLY364 |
| E | VAL366 |
| E | SR71396 |
| site_id | BC7 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SR7 E 1396 |
| Chain | Residue |
| E | PRO155 |
| E | ASP156 |
| E | PHE157 |
| E | ARG158 |
| E | PHE180 |
| E | LEU199 |
| E | HIS248 |
| E | VAL292 |
| E | CNA1395 |
| site_id | BC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN E 1397 |
| Chain | Residue |
| E | CYS256 |
| E | CYS259 |
| E | CYS280 |
| E | CYS283 |
| site_id | BC9 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE CNA F 1395 |
| Chain | Residue |
| B | GLN170 |
| F | GLY145 |
| F | ALA146 |
| F | GLY147 |
| F | SER149 |
| F | THR150 |
| F | ASP156 |
| F | ARG158 |
| F | GLN228 |
| F | ASN229 |
| F | ILE230 |
| F | ASP231 |
| F | HIS248 |
| F | GLY319 |
| F | THR320 |
| F | SER321 |
| F | VAL324 |
| F | ASN344 |
| F | ARG345 |
| F | ASP346 |
| F | GLY364 |
| F | ASP365 |
| F | VAL366 |
| F | SR71396 |
| site_id | CC1 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SR7 F 1396 |
| Chain | Residue |
| F | PRO155 |
| F | ASP156 |
| F | PHE157 |
| F | ARG158 |
| F | PHE180 |
| F | HIS248 |
| F | VAL292 |
| F | PHE294 |
| F | VAL324 |
| F | CNA1395 |
| site_id | CC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN F 1397 |
| Chain | Residue |
| F | CYS256 |
| F | CYS259 |
| F | CYS280 |
| F | CYS283 |
| site_id | CC3 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE CNA G 1395 |
| Chain | Residue |
| G | ALA146 |
| G | GLY147 |
| G | SER149 |
| G | THR150 |
| G | ASP156 |
| G | ARG158 |
| G | GLN228 |
| G | ASN229 |
| G | ILE230 |
| G | ASP231 |
| G | HIS248 |
| G | GLY319 |
| G | THR320 |
| G | SER321 |
| G | ASN344 |
| G | ARG345 |
| G | GLY364 |
| G | ASP365 |
| G | VAL366 |
| G | SR71396 |
| site_id | CC4 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SR7 G 1396 |
| Chain | Residue |
| G | PHE157 |
| G | ARG158 |
| G | GLU177 |
| G | PHE180 |
| G | LEU195 |
| G | LEU199 |
| G | HIS248 |
| G | VAL292 |
| G | PHE294 |
| G | CNA1395 |
| site_id | CC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN G 1397 |
| Chain | Residue |
| G | CYS256 |
| G | CYS259 |
| G | CYS280 |
| G | CYS283 |
| site_id | CC6 |
| Number of Residues | 22 |
| Details | BINDING SITE FOR RESIDUE CNA H 1395 |
| Chain | Residue |
| H | ALA146 |
| H | GLY147 |
| H | SER149 |
| H | THR150 |
| H | ASP156 |
| H | ARG158 |
| H | GLN228 |
| H | ASN229 |
| H | ILE230 |
| H | ASP231 |
| H | HIS248 |
| H | GLY319 |
| H | THR320 |
| H | SER321 |
| H | ASN344 |
| H | ARG345 |
| H | ASP346 |
| H | GLY364 |
| H | ASP365 |
| H | VAL366 |
| H | SR71396 |
| K | GLN170 |
| site_id | CC7 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SR7 H 1396 |
| Chain | Residue |
| H | ASP156 |
| H | PHE157 |
| H | ARG158 |
| H | PHE180 |
| H | LEU195 |
| H | LEU199 |
| H | HIS248 |
| H | VAL292 |
| H | PHE294 |
| H | CNA1395 |
| site_id | CC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN H 1397 |
| Chain | Residue |
| H | CYS256 |
| H | CYS259 |
| H | CYS280 |
| H | CYS283 |
| site_id | CC9 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE CNA I 1395 |
| Chain | Residue |
| I | GLY145 |
| I | ALA146 |
| I | GLY147 |
| I | THR150 |
| I | ILE154 |
| I | ASP156 |
| I | ARG158 |
| I | GLN228 |
| I | ILE230 |
| I | ASP231 |
| I | HIS248 |
| I | GLY319 |
| I | THR320 |
| I | SER321 |
| I | ASN344 |
| I | ARG345 |
| I | ASP346 |
| I | ASP365 |
| I | VAL366 |
| I | SR71396 |
| site_id | DC1 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SR7 I 1396 |
| Chain | Residue |
| I | PRO155 |
| I | ASP156 |
| I | PHE157 |
| I | ARG158 |
| I | PHE180 |
| I | LEU199 |
| I | HIS248 |
| I | VAL292 |
| I | PHE294 |
| I | CNA1395 |
| site_id | DC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN I 1397 |
| Chain | Residue |
| I | CYS256 |
| I | CYS259 |
| I | CYS280 |
| I | CYS283 |
| site_id | DC3 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE CNA J 1395 |
| Chain | Residue |
| A | GLN170 |
| J | ALA146 |
| J | GLY147 |
| J | SER149 |
| J | THR150 |
| J | ILE154 |
| J | ASP156 |
| J | ARG158 |
| J | GLN228 |
| J | ASN229 |
| J | ILE230 |
| J | ASP231 |
| J | HIS248 |
| J | GLY319 |
| J | THR320 |
| J | SER321 |
| J | LEU322 |
| J | VAL324 |
| J | ASN344 |
| J | ARG345 |
| J | ASP346 |
| J | VAL348 |
| J | GLY364 |
| J | ASP365 |
| J | VAL366 |
| J | SR71396 |
| site_id | DC4 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SR7 J 1396 |
| Chain | Residue |
| J | PRO155 |
| J | ASP156 |
| J | PHE157 |
| J | ARG158 |
| J | PHE180 |
| J | HIS248 |
| J | VAL292 |
| J | PHE294 |
| J | CNA1395 |
| site_id | DC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN J 1397 |
| Chain | Residue |
| J | CYS256 |
| J | CYS259 |
| J | CYS280 |
| J | CYS283 |
| site_id | DC6 |
| Number of Residues | 20 |
| Details | BINDING SITE FOR RESIDUE CNA K 1395 |
| Chain | Residue |
| K | GLY145 |
| K | ALA146 |
| K | GLY147 |
| K | SER149 |
| K | THR150 |
| K | ARG158 |
| K | GLN228 |
| K | ASN229 |
| K | ASP231 |
| K | HIS248 |
| K | THR320 |
| K | SER321 |
| K | VAL324 |
| K | ASN344 |
| K | ARG345 |
| K | ASP346 |
| K | VAL348 |
| K | GLY364 |
| K | VAL366 |
| K | SR71397 |
| site_id | DC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL K 1396 |
| Chain | Residue |
| F | ARG301 |
| K | ARG301 |
| site_id | DC8 |
| Number of Residues | 13 |
| Details | BINDING SITE FOR RESIDUE SR7 K 1397 |
| Chain | Residue |
| K | PRO155 |
| K | ASP156 |
| K | PHE157 |
| K | ARG158 |
| K | GLU177 |
| K | PHE180 |
| K | LEU199 |
| K | ILE230 |
| K | HIS248 |
| K | VAL292 |
| K | PHE293 |
| K | PHE294 |
| K | CNA1395 |
| site_id | DC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN K 1398 |
| Chain | Residue |
| K | CYS256 |
| K | CYS259 |
| K | CYS280 |
| K | CYS283 |
| site_id | EC1 |
| Number of Residues | 19 |
| Details | BINDING SITE FOR RESIDUE CNA L 1395 |
| Chain | Residue |
| L | ALA146 |
| L | GLY147 |
| L | SER149 |
| L | THR150 |
| L | ASP156 |
| L | GLN228 |
| L | ASN229 |
| L | ILE230 |
| L | ASP231 |
| L | HIS248 |
| L | THR320 |
| L | SER321 |
| L | LEU322 |
| L | GLU323 |
| L | ASN344 |
| L | ARG345 |
| L | GLY364 |
| L | VAL366 |
| L | SR71397 |
| site_id | EC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE GOL L 1396 |
| Chain | Residue |
| J | ARG301 |
| L | ARG301 |
| site_id | EC3 |
| Number of Residues | 10 |
| Details | BINDING SITE FOR RESIDUE SR7 L 1397 |
| Chain | Residue |
| L | PRO155 |
| L | ASP156 |
| L | PHE157 |
| L | ARG158 |
| L | PHE180 |
| L | ILE230 |
| L | HIS248 |
| L | VAL292 |
| L | PHE294 |
| L | CNA1395 |
| site_id | EC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN L 1398 |
| Chain | Residue |
| L | CYS256 |
| L | CYS259 |
| L | CYS280 |
| L | CYS283 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 12 |
| Details | ACT_SITE: Proton acceptor => ECO:0000255|PROSITE-ProRule:PRU00236, ECO:0000269|PubMed:12186850, ECO:0000269|PubMed:16788062, ECO:0000269|PubMed:18794531 |
| Chain | Residue | Details |
| B | HIS248 | |
| C | HIS248 | |
| D | HIS248 | |
| E | HIS248 | |
| F | HIS248 | |
| G | HIS248 | |
| H | HIS248 | |
| I | HIS248 | |
| J | HIS248 | |
| K | HIS248 | |
| L | HIS248 | |
| A | HIS248 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 48 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:23897466 |
| Chain | Residue | Details |
| D | GLY145 | |
| D | GLN228 | |
| D | GLY319 | |
| D | ASN344 | |
| E | GLY145 | |
| E | GLN228 | |
| E | GLY319 | |
| E | ASN344 | |
| F | GLY145 | |
| F | GLN228 | |
| F | GLY319 | |
| F | ASN344 | |
| G | GLY145 | |
| G | GLN228 | |
| G | GLY319 | |
| G | ASN344 | |
| H | GLY145 | |
| H | GLN228 | |
| H | GLY319 | |
| H | ASN344 | |
| I | GLY145 | |
| I | GLN228 | |
| I | GLY319 | |
| I | ASN344 | |
| J | GLY145 | |
| J | GLN228 | |
| J | GLY319 | |
| J | ASN344 | |
| K | GLY145 | |
| K | GLN228 | |
| K | GLY319 | |
| K | ASN344 | |
| L | GLY145 | |
| L | GLN228 | |
| L | GLY319 | |
| L | ASN344 | |
| A | GLY145 | |
| A | GLN228 | |
| A | GLY319 | |
| A | ASN344 | |
| B | GLY145 | |
| B | GLN228 | |
| B | GLY319 | |
| B | ASN344 | |
| C | GLY145 | |
| C | GLN228 | |
| C | GLY319 | |
| C | ASN344 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 48 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:19535340, ECO:0000269|PubMed:23897466 |
| Chain | Residue | Details |
| A | CYS256 | |
| A | CYS259 | |
| A | CYS280 | |
| A | CYS283 | |
| B | CYS256 | |
| B | CYS259 | |
| B | CYS280 | |
| B | CYS283 | |
| C | CYS256 | |
| C | CYS259 | |
| C | CYS280 | |
| C | CYS283 | |
| D | CYS256 | |
| D | CYS259 | |
| D | CYS280 | |
| D | CYS283 | |
| E | CYS256 | |
| E | CYS259 | |
| E | CYS280 | |
| E | CYS283 | |
| F | CYS256 | |
| F | CYS259 | |
| F | CYS280 | |
| F | CYS283 | |
| G | CYS256 | |
| G | CYS259 | |
| G | CYS280 | |
| G | CYS283 | |
| H | CYS256 | |
| H | CYS259 | |
| H | CYS280 | |
| H | CYS283 | |
| I | CYS256 | |
| I | CYS259 | |
| I | CYS280 | |
| I | CYS283 | |
| J | CYS256 | |
| J | CYS259 | |
| J | CYS280 | |
| J | CYS283 | |
| K | CYS256 | |
| K | CYS259 | |
| K | CYS280 | |
| K | CYS283 | |
| L | CYS256 | |
| L | CYS259 | |
| L | CYS280 | |
| L | CYS283 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 12 |
| Details | MOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:Q8R104 |
| Chain | Residue | Details |
| A | LYS122 | |
| B | LYS122 | |
| C | LYS122 | |
| D | LYS122 | |
| E | LYS122 | |
| F | LYS122 | |
| G | LYS122 | |
| H | LYS122 | |
| I | LYS122 | |
| J | LYS122 | |
| K | LYS122 | |
| L | LYS122 |
