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 |
A | HIS248 | |
J | HIS248 | |
K | HIS248 | |
L | HIS248 | |
B | HIS248 | |
C | HIS248 | |
D | HIS248 | |
E | HIS248 | |
F | HIS248 | |
G | HIS248 | |
H | HIS248 | |
I | HIS248 |
site_id | SWS_FT_FI2 |
Number of Residues | 48 |
Details | BINDING: BINDING => ECO:0000269|PubMed:23897466 |
Chain | Residue | Details |
A | GLY145 | |
C | GLN228 | |
C | GLY319 | |
C | ASN344 | |
D | GLY145 | |
D | GLN228 | |
D | GLY319 | |
D | ASN344 | |
E | GLY145 | |
E | GLN228 | |
E | GLY319 | |
A | GLN228 | |
E | ASN344 | |
F | GLY145 | |
F | GLN228 | |
F | GLY319 | |
F | ASN344 | |
G | GLY145 | |
G | GLN228 | |
G | GLY319 | |
G | ASN344 | |
H | GLY145 | |
A | GLY319 | |
H | GLN228 | |
H | GLY319 | |
H | ASN344 | |
I | GLY145 | |
I | GLN228 | |
I | GLY319 | |
I | ASN344 | |
J | GLY145 | |
J | GLN228 | |
J | GLY319 | |
A | ASN344 | |
J | ASN344 | |
K | GLY145 | |
K | GLN228 | |
K | GLY319 | |
K | ASN344 | |
L | GLY145 | |
L | GLN228 | |
L | GLY319 | |
L | ASN344 | |
B | GLY145 | |
B | GLN228 | |
B | GLY319 | |
B | ASN344 | |
C | GLY145 |
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 | |
C | CYS259 | |
C | CYS280 | |
C | CYS283 | |
D | CYS256 | |
D | CYS259 | |
D | CYS280 | |
D | CYS283 | |
E | CYS256 | |
E | CYS259 | |
E | CYS280 | |
A | CYS259 | |
E | CYS283 | |
F | CYS256 | |
F | CYS259 | |
F | CYS280 | |
F | CYS283 | |
G | CYS256 | |
G | CYS259 | |
G | CYS280 | |
G | CYS283 | |
H | CYS256 | |
A | CYS280 | |
H | CYS259 | |
H | CYS280 | |
H | CYS283 | |
I | CYS256 | |
I | CYS259 | |
I | CYS280 | |
I | CYS283 | |
J | CYS256 | |
J | CYS259 | |
J | CYS280 | |
A | CYS283 | |
J | CYS283 | |
K | CYS256 | |
K | CYS259 | |
K | CYS280 | |
K | CYS283 | |
L | CYS256 | |
L | CYS259 | |
L | CYS280 | |
L | CYS283 | |
B | CYS256 | |
B | CYS259 | |
B | CYS280 | |
B | CYS283 | |
C | CYS256 |
site_id | SWS_FT_FI4 |
Number of Residues | 12 |
Details | MOD_RES: N6-succinyllysine => ECO:0000250|UniProtKB:Q8R104 |
Chain | Residue | Details |
A | LYS122 | |
J | LYS122 | |
K | LYS122 | |
L | LYS122 | |
B | LYS122 | |
C | LYS122 | |
D | LYS122 | |
E | LYS122 | |
F | LYS122 | |
G | LYS122 | |
H | LYS122 | |
I | LYS122 |