2CLP
Crystal structure of human aflatoxin B1 aldehyde reductase member 3
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004033 | molecular_function | aldo-keto reductase (NADPH) activity |
| A | 0005515 | molecular_function | protein binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0005794 | cellular_component | Golgi apparatus |
| A | 0005829 | cellular_component | cytosol |
| A | 0006081 | biological_process | cellular aldehyde metabolic process |
| A | 0009055 | molecular_function | electron transfer activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0042802 | molecular_function | identical protein binding |
| A | 0070062 | cellular_component | extracellular exosome |
| B | 0004033 | molecular_function | aldo-keto reductase (NADPH) activity |
| B | 0005515 | molecular_function | protein binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0005794 | cellular_component | Golgi apparatus |
| B | 0005829 | cellular_component | cytosol |
| B | 0006081 | biological_process | cellular aldehyde metabolic process |
| B | 0009055 | molecular_function | electron transfer activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0042802 | molecular_function | identical protein binding |
| B | 0070062 | cellular_component | extracellular exosome |
| C | 0004033 | molecular_function | aldo-keto reductase (NADPH) activity |
| C | 0005515 | molecular_function | protein binding |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0005794 | cellular_component | Golgi apparatus |
| C | 0005829 | cellular_component | cytosol |
| C | 0006081 | biological_process | cellular aldehyde metabolic process |
| C | 0009055 | molecular_function | electron transfer activity |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0042802 | molecular_function | identical protein binding |
| C | 0070062 | cellular_component | extracellular exosome |
| D | 0004033 | molecular_function | aldo-keto reductase (NADPH) activity |
| D | 0005515 | molecular_function | protein binding |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0005794 | cellular_component | Golgi apparatus |
| D | 0005829 | cellular_component | cytosol |
| D | 0006081 | biological_process | cellular aldehyde metabolic process |
| D | 0009055 | molecular_function | electron transfer activity |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0042802 | molecular_function | identical protein binding |
| D | 0070062 | cellular_component | extracellular exosome |
| E | 0004033 | molecular_function | aldo-keto reductase (NADPH) activity |
| E | 0005515 | molecular_function | protein binding |
| E | 0005737 | cellular_component | cytoplasm |
| E | 0005794 | cellular_component | Golgi apparatus |
| E | 0005829 | cellular_component | cytosol |
| E | 0006081 | biological_process | cellular aldehyde metabolic process |
| E | 0009055 | molecular_function | electron transfer activity |
| E | 0016491 | molecular_function | oxidoreductase activity |
| E | 0042802 | molecular_function | identical protein binding |
| E | 0070062 | cellular_component | extracellular exosome |
| F | 0004033 | molecular_function | aldo-keto reductase (NADPH) activity |
| F | 0005515 | molecular_function | protein binding |
| F | 0005737 | cellular_component | cytoplasm |
| F | 0005794 | cellular_component | Golgi apparatus |
| F | 0005829 | cellular_component | cytosol |
| F | 0006081 | biological_process | cellular aldehyde metabolic process |
| F | 0009055 | molecular_function | electron transfer activity |
| F | 0016491 | molecular_function | oxidoreductase activity |
| F | 0042802 | molecular_function | identical protein binding |
| F | 0070062 | cellular_component | extracellular exosome |
| G | 0004033 | molecular_function | aldo-keto reductase (NADPH) activity |
| G | 0005515 | molecular_function | protein binding |
| G | 0005737 | cellular_component | cytoplasm |
| G | 0005794 | cellular_component | Golgi apparatus |
| G | 0005829 | cellular_component | cytosol |
| G | 0006081 | biological_process | cellular aldehyde metabolic process |
| G | 0009055 | molecular_function | electron transfer activity |
| G | 0016491 | molecular_function | oxidoreductase activity |
| G | 0042802 | molecular_function | identical protein binding |
| G | 0070062 | cellular_component | extracellular exosome |
| H | 0004033 | molecular_function | aldo-keto reductase (NADPH) activity |
| H | 0005515 | molecular_function | protein binding |
| H | 0005737 | cellular_component | cytoplasm |
| H | 0005794 | cellular_component | Golgi apparatus |
| H | 0005829 | cellular_component | cytosol |
| H | 0006081 | biological_process | cellular aldehyde metabolic process |
| H | 0009055 | molecular_function | electron transfer activity |
| H | 0016491 | molecular_function | oxidoreductase activity |
| H | 0042802 | molecular_function | identical protein binding |
| H | 0070062 | cellular_component | extracellular exosome |
| I | 0004033 | molecular_function | aldo-keto reductase (NADPH) activity |
| I | 0005515 | molecular_function | protein binding |
| I | 0005737 | cellular_component | cytoplasm |
| I | 0005794 | cellular_component | Golgi apparatus |
| I | 0005829 | cellular_component | cytosol |
| I | 0006081 | biological_process | cellular aldehyde metabolic process |
| I | 0009055 | molecular_function | electron transfer activity |
| I | 0016491 | molecular_function | oxidoreductase activity |
| I | 0042802 | molecular_function | identical protein binding |
| I | 0070062 | cellular_component | extracellular exosome |
| J | 0004033 | molecular_function | aldo-keto reductase (NADPH) activity |
| J | 0005515 | molecular_function | protein binding |
| J | 0005737 | cellular_component | cytoplasm |
| J | 0005794 | cellular_component | Golgi apparatus |
| J | 0005829 | cellular_component | cytosol |
| J | 0006081 | biological_process | cellular aldehyde metabolic process |
| J | 0009055 | molecular_function | electron transfer activity |
| J | 0016491 | molecular_function | oxidoreductase activity |
| J | 0042802 | molecular_function | identical protein binding |
| J | 0070062 | cellular_component | extracellular exosome |
| K | 0004033 | molecular_function | aldo-keto reductase (NADPH) activity |
| K | 0005515 | molecular_function | protein binding |
| K | 0005737 | cellular_component | cytoplasm |
| K | 0005794 | cellular_component | Golgi apparatus |
| K | 0005829 | cellular_component | cytosol |
| K | 0006081 | biological_process | cellular aldehyde metabolic process |
| K | 0009055 | molecular_function | electron transfer activity |
| K | 0016491 | molecular_function | oxidoreductase activity |
| K | 0042802 | molecular_function | identical protein binding |
| K | 0070062 | cellular_component | extracellular exosome |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CA A 1362 |
| Chain | Residue |
| A | HIS269 |
| A | GLU272 |
| site_id | AC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CA C 1362 |
| Chain | Residue |
| C | HIS269 |
| C | GLU272 |
| site_id | AC3 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CA E 1362 |
| Chain | Residue |
| E | HIS269 |
| E | GLU272 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE CA G 1362 |
| Chain | Residue |
| G | HIS269 |
| G | GLU272 |
| site_id | AC5 |
| Number of Residues | 28 |
| Details | BINDING SITE FOR RESIDUE NDP A 1361 |
| Chain | Residue |
| A | ALA45 |
| A | MET46 |
| A | ARG51 |
| A | ASP73 |
| A | TYR78 |
| A | HIS142 |
| A | SER172 |
| A | ASN173 |
| A | GLN198 |
| A | PHE226 |
| A | ASN227 |
| A | PRO228 |
| A | LEU229 |
| A | ALA230 |
| A | GLY231 |
| A | GLY232 |
| A | THR235 |
| A | LYS237 |
| A | TYR238 |
| A | ARG251 |
| A | ILE315 |
| A | GLY317 |
| A | MET318 |
| A | SER319 |
| A | GLN323 |
| A | GLN326 |
| A | ASN327 |
| A | GLY44 |
| site_id | AC6 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NDP B 1361 |
| Chain | Residue |
| B | GLY44 |
| B | MET46 |
| B | ARG51 |
| B | ASP73 |
| B | TYR78 |
| B | SER172 |
| B | ASN173 |
| B | GLN198 |
| B | PHE226 |
| B | ASN227 |
| B | PRO228 |
| B | LEU229 |
| B | ALA230 |
| B | GLY231 |
| B | GLY232 |
| B | THR235 |
| B | LYS237 |
| B | TYR238 |
| B | GLY250 |
| B | ARG251 |
| B | ILE315 |
| B | GLY317 |
| B | MET318 |
| B | SER319 |
| B | GLN323 |
| B | GLN326 |
| B | ASN327 |
| site_id | AC7 |
| Number of Residues | 29 |
| Details | BINDING SITE FOR RESIDUE NDP C 1361 |
| Chain | Residue |
| C | GLY44 |
| C | ALA45 |
| C | MET46 |
| C | ARG51 |
| C | ASP73 |
| C | TYR78 |
| C | HIS142 |
| C | SER172 |
| C | ASN173 |
| C | GLN198 |
| C | PHE226 |
| C | ASN227 |
| C | PRO228 |
| C | LEU229 |
| C | ALA230 |
| C | GLY231 |
| C | GLY232 |
| C | THR235 |
| C | LYS237 |
| C | TYR238 |
| C | GLY250 |
| C | ARG251 |
| C | ILE315 |
| C | GLY317 |
| C | MET318 |
| C | SER319 |
| C | GLN323 |
| C | GLN326 |
| C | ASN327 |
| site_id | AC8 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE NDP D 1361 |
| Chain | Residue |
| D | HIS142 |
| D | SER172 |
| D | ASN173 |
| D | GLN198 |
| D | PHE226 |
| D | ASN227 |
| D | PRO228 |
| D | LEU229 |
| D | ALA230 |
| D | GLY231 |
| D | GLY232 |
| D | THR235 |
| D | LYS237 |
| D | TYR238 |
| D | GLY250 |
| D | ARG251 |
| D | ILE315 |
| D | GLY317 |
| D | MET318 |
| D | SER319 |
| D | GLN323 |
| D | GLN326 |
| D | ASN327 |
| D | GLY44 |
| D | ALA45 |
| D | MET46 |
| D | ARG51 |
| D | ASP73 |
| D | TYR78 |
| D | LYS106 |
| site_id | AC9 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NDP E 1361 |
| Chain | Residue |
| E | GLY44 |
| E | MET46 |
| E | ARG51 |
| E | ASP73 |
| E | TYR78 |
| E | LYS106 |
| E | HIS142 |
| E | SER172 |
| E | ASN173 |
| E | GLN198 |
| E | PHE226 |
| E | ASN227 |
| E | PRO228 |
| E | LEU229 |
| E | ALA230 |
| E | GLY231 |
| E | GLY232 |
| E | THR235 |
| E | LYS237 |
| E | TYR238 |
| E | ARG251 |
| E | ILE315 |
| E | GLY317 |
| E | SER319 |
| E | GLN323 |
| E | GLN326 |
| E | ASN327 |
| site_id | BC1 |
| Number of Residues | 28 |
| Details | BINDING SITE FOR RESIDUE NDP F 1361 |
| Chain | Residue |
| F | GLY44 |
| F | MET46 |
| F | ARG51 |
| F | ASP73 |
| F | TYR78 |
| F | HIS142 |
| F | SER172 |
| F | ASN173 |
| F | GLN198 |
| F | PHE226 |
| F | ASN227 |
| F | PRO228 |
| F | LEU229 |
| F | ALA230 |
| F | GLY231 |
| F | GLY232 |
| F | THR235 |
| F | LYS237 |
| F | TYR238 |
| F | GLY250 |
| F | ARG251 |
| F | ILE315 |
| F | GLY317 |
| F | MET318 |
| F | SER319 |
| F | GLN323 |
| F | GLN326 |
| F | ASN327 |
| site_id | BC2 |
| Number of Residues | 28 |
| Details | BINDING SITE FOR RESIDUE NDP G 1361 |
| Chain | Residue |
| G | GLY44 |
| G | MET46 |
| G | ARG51 |
| G | ASP73 |
| G | TYR78 |
| G | LYS106 |
| G | HIS142 |
| G | SER172 |
| G | ASN173 |
| G | GLN198 |
| G | PHE226 |
| G | ASN227 |
| G | PRO228 |
| G | LEU229 |
| G | ALA230 |
| G | GLY231 |
| G | GLY232 |
| G | THR235 |
| G | LYS237 |
| G | TYR238 |
| G | GLY250 |
| G | ARG251 |
| G | ILE315 |
| G | GLY317 |
| G | SER319 |
| G | GLN323 |
| G | GLN326 |
| G | ASN327 |
| site_id | BC3 |
| Number of Residues | 29 |
| Details | BINDING SITE FOR RESIDUE NDP H 1361 |
| Chain | Residue |
| H | GLY44 |
| H | MET46 |
| H | ARG51 |
| H | ASP73 |
| H | TYR78 |
| H | HIS142 |
| H | SER172 |
| H | GLN198 |
| H | PHE226 |
| H | ASN227 |
| H | PRO228 |
| H | LEU229 |
| H | ALA230 |
| H | GLY231 |
| H | GLY232 |
| H | THR235 |
| H | LYS237 |
| H | TYR238 |
| H | GLY250 |
| H | ARG251 |
| H | TYR261 |
| H | THR293 |
| H | ILE315 |
| H | GLY317 |
| H | MET318 |
| H | SER319 |
| H | GLN323 |
| H | GLN326 |
| H | ASN327 |
| site_id | BC4 |
| Number of Residues | 28 |
| Details | BINDING SITE FOR RESIDUE NDP I 1361 |
| Chain | Residue |
| I | GLY44 |
| I | ALA45 |
| I | MET46 |
| I | ASP73 |
| I | TYR78 |
| I | HIS142 |
| I | SER172 |
| I | ASN173 |
| I | GLN198 |
| I | PHE226 |
| I | ASN227 |
| I | PRO228 |
| I | LEU229 |
| I | GLY231 |
| I | GLY232 |
| I | THR235 |
| I | LYS237 |
| I | TYR238 |
| I | GLY250 |
| I | ARG251 |
| I | THR293 |
| I | ILE315 |
| I | GLY317 |
| I | MET318 |
| I | SER319 |
| I | GLN323 |
| I | GLN326 |
| I | ASN327 |
| site_id | BC5 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE NDP J 1361 |
| Chain | Residue |
| J | GLY44 |
| J | ALA45 |
| J | MET46 |
| J | ASP73 |
| J | TYR78 |
| J | HIS142 |
| J | SER172 |
| J | ASN173 |
| J | GLN198 |
| J | PHE226 |
| J | ASN227 |
| J | PRO228 |
| J | LEU229 |
| J | ALA230 |
| J | GLY231 |
| J | GLY232 |
| J | THR235 |
| J | LYS237 |
| J | TYR238 |
| J | GLY250 |
| J | ARG251 |
| J | TYR261 |
| J | THR293 |
| J | ILE315 |
| J | GLY317 |
| J | MET318 |
| J | SER319 |
| J | GLN323 |
| J | GLN326 |
| J | ASN327 |
| site_id | BC6 |
| Number of Residues | 29 |
| Details | BINDING SITE FOR RESIDUE NDP K 1361 |
| Chain | Residue |
| K | GLY44 |
| K | ALA45 |
| K | MET46 |
| K | ASP73 |
| K | TYR78 |
| K | HIS142 |
| K | SER172 |
| K | ASN173 |
| K | GLN198 |
| K | PHE226 |
| K | ASN227 |
| K | PRO228 |
| K | LEU229 |
| K | ALA230 |
| K | GLY231 |
| K | GLY232 |
| K | THR235 |
| K | LYS237 |
| K | TYR238 |
| K | GLY250 |
| K | ARG251 |
| K | THR293 |
| K | ILE315 |
| K | GLY317 |
| K | MET318 |
| K | SER319 |
| K | GLN323 |
| K | GLN326 |
| K | ASN327 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 11 |
| Details | ACT_SITE: Proton donor => ECO:0000250 |
| Chain | Residue | Details |
| A | TYR78 | |
| J | TYR78 | |
| K | TYR78 | |
| B | TYR78 | |
| C | TYR78 | |
| D | TYR78 | |
| E | TYR78 | |
| F | TYR78 | |
| G | TYR78 | |
| H | TYR78 | |
| I | TYR78 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 55 |
| Details | BINDING: BINDING => ECO:0000269|Ref.7 |
| Chain | Residue | Details |
| A | ASP73 | |
| B | SER319 | |
| C | ASP73 | |
| C | SER172 | |
| C | ASN227 | |
| C | ARG251 | |
| C | SER319 | |
| D | ASP73 | |
| D | SER172 | |
| D | ASN227 | |
| D | ARG251 | |
| A | SER172 | |
| D | SER319 | |
| E | ASP73 | |
| E | SER172 | |
| E | ASN227 | |
| E | ARG251 | |
| E | SER319 | |
| F | ASP73 | |
| F | SER172 | |
| F | ASN227 | |
| F | ARG251 | |
| A | ASN227 | |
| F | SER319 | |
| G | ASP73 | |
| G | SER172 | |
| G | ASN227 | |
| G | ARG251 | |
| G | SER319 | |
| H | ASP73 | |
| H | SER172 | |
| H | ASN227 | |
| H | ARG251 | |
| A | ARG251 | |
| H | SER319 | |
| I | ASP73 | |
| I | SER172 | |
| I | ASN227 | |
| I | ARG251 | |
| I | SER319 | |
| J | ASP73 | |
| J | SER172 | |
| J | ASN227 | |
| J | ARG251 | |
| A | SER319 | |
| J | SER319 | |
| K | ASP73 | |
| K | SER172 | |
| K | ASN227 | |
| K | ARG251 | |
| K | SER319 | |
| B | ASP73 | |
| B | SER172 | |
| B | ASN227 | |
| B | ARG251 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 44 |
| Details | BINDING: BINDING => ECO:0000250 |
| Chain | Residue | Details |
| A | HIS142 | |
| C | GLN198 | |
| C | TYR261 | |
| C | ARG264 | |
| D | HIS142 | |
| D | GLN198 | |
| D | TYR261 | |
| D | ARG264 | |
| E | HIS142 | |
| E | GLN198 | |
| E | TYR261 | |
| A | GLN198 | |
| E | ARG264 | |
| F | HIS142 | |
| F | GLN198 | |
| F | TYR261 | |
| F | ARG264 | |
| G | HIS142 | |
| G | GLN198 | |
| G | TYR261 | |
| G | ARG264 | |
| H | HIS142 | |
| A | TYR261 | |
| H | GLN198 | |
| H | TYR261 | |
| H | ARG264 | |
| I | HIS142 | |
| I | GLN198 | |
| I | TYR261 | |
| I | ARG264 | |
| J | HIS142 | |
| J | GLN198 | |
| J | TYR261 | |
| A | ARG264 | |
| J | ARG264 | |
| K | HIS142 | |
| K | GLN198 | |
| K | TYR261 | |
| K | ARG264 | |
| B | HIS142 | |
| B | GLN198 | |
| B | TYR261 | |
| B | ARG264 | |
| C | HIS142 |
| site_id | SWS_FT_FI4 |
| Number of Residues | 11 |
| Details | SITE: Lowers pKa of active site Tyr => ECO:0000250 |
| Chain | Residue | Details |
| A | LYS106 | |
| J | LYS106 | |
| K | LYS106 | |
| B | LYS106 | |
| C | LYS106 | |
| D | LYS106 | |
| E | LYS106 | |
| F | LYS106 | |
| G | LYS106 | |
| H | LYS106 | |
| I | LYS106 |
| site_id | SWS_FT_FI5 |
| Number of Residues | 11 |
| Details | MOD_RES: Phosphoserine => ECO:0000250|UniProtKB:P38918 |
| Chain | Residue | Details |
| A | SER35 | |
| J | SER35 | |
| K | SER35 | |
| B | SER35 | |
| C | SER35 | |
| D | SER35 | |
| E | SER35 | |
| F | SER35 | |
| G | SER35 | |
| H | SER35 | |
| I | SER35 |
| site_id | SWS_FT_FI6 |
| Number of Residues | 11 |
| Details | MOD_RES: Phosphoserine => ECO:0007744|PubMed:24275569 |
| Chain | Residue | Details |
| A | SER114 | |
| J | SER114 | |
| K | SER114 | |
| B | SER114 | |
| C | SER114 | |
| D | SER114 | |
| E | SER114 | |
| F | SER114 | |
| G | SER114 | |
| H | SER114 | |
| I | SER114 |
| site_id | SWS_FT_FI7 |
| Number of Residues | 11 |
| Details | MOD_RES: Phosphothreonine => ECO:0007744|PubMed:24275569 |
| Chain | Residue | Details |
| A | THR256 | |
| J | THR256 | |
| K | THR256 | |
| B | THR256 | |
| C | THR256 | |
| D | THR256 | |
| E | THR256 | |
| F | THR256 | |
| G | THR256 | |
| H | THR256 | |
| I | THR256 |
