4MHB
Structure of a putative reductase from Yersinia pestis
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0004032 | molecular_function | aldose reductase (NADPH) activity |
| A | 0005829 | cellular_component | cytosol |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0019853 | biological_process | L-ascorbic acid biosynthetic process |
| A | 0044281 | biological_process | small molecule metabolic process |
| B | 0004032 | molecular_function | aldose reductase (NADPH) activity |
| B | 0005829 | cellular_component | cytosol |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0019853 | biological_process | L-ascorbic acid biosynthetic process |
| B | 0044281 | biological_process | small molecule metabolic process |
| C | 0004032 | molecular_function | aldose reductase (NADPH) activity |
| C | 0005829 | cellular_component | cytosol |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0019853 | biological_process | L-ascorbic acid biosynthetic process |
| C | 0044281 | biological_process | small molecule metabolic process |
| D | 0004032 | molecular_function | aldose reductase (NADPH) activity |
| D | 0005829 | cellular_component | cytosol |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0019853 | biological_process | L-ascorbic acid biosynthetic process |
| D | 0044281 | biological_process | small molecule metabolic process |
| E | 0004032 | molecular_function | aldose reductase (NADPH) activity |
| E | 0005829 | cellular_component | cytosol |
| E | 0016491 | molecular_function | oxidoreductase activity |
| E | 0019853 | biological_process | L-ascorbic acid biosynthetic process |
| E | 0044281 | biological_process | small molecule metabolic process |
| F | 0004032 | molecular_function | aldose reductase (NADPH) activity |
| F | 0005829 | cellular_component | cytosol |
| F | 0016491 | molecular_function | oxidoreductase activity |
| F | 0019853 | biological_process | L-ascorbic acid biosynthetic process |
| F | 0044281 | biological_process | small molecule metabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 301 |
| Chain | Residue |
| A | ALA25 |
| A | PRO27 |
| A | GLU82 |
| A | LEU83 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 A 302 |
| Chain | Residue |
| D | ARG44 |
| D | HOH543 |
| A | LYS74 |
| A | LEU75 |
| A | GLY77 |
| D | ALA40 |
| D | GLU41 |
| site_id | AC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 A 303 |
| Chain | Residue |
| A | PRO153 |
| A | HIS182 |
| A | ALA183 |
| A | HOH433 |
| A | HOH467 |
| A | HOH478 |
| A | HOH526 |
| D | HOH528 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 A 304 |
| Chain | Residue |
| A | LYS222 |
| A | GLN226 |
| A | ASN254 |
| A | HOH555 |
| A | HOH705 |
| site_id | AC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 305 |
| Chain | Residue |
| A | HIS152 |
| A | SER280 |
| A | ARG282 |
| A | HOH718 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 A 306 |
| Chain | Residue |
| A | ALA161 |
| A | PHE162 |
| A | THR291 |
| A | LYS294 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 A 307 |
| Chain | Residue |
| A | ASP48 |
| A | GLU51 |
| A | LYS246 |
| D | ARG44 |
| D | ASP48 |
| D | GLU51 |
| D | LYS246 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 A 308 |
| Chain | Residue |
| A | SER243 |
| A | VAL244 |
| A | ARG248 |
| site_id | AC9 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 B 301 |
| Chain | Residue |
| B | PRO153 |
| B | HIS182 |
| B | HOH431 |
| B | HOH451 |
| B | HOH470 |
| B | HOH526 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 B 302 |
| Chain | Residue |
| B | ALA25 |
| B | PRO27 |
| B | GLU82 |
| B | HOH496 |
| B | HOH623 |
| site_id | BC2 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 B 303 |
| Chain | Residue |
| B | ASP48 |
| B | GLU51 |
| B | LYS246 |
| F | ARG44 |
| F | ASP48 |
| F | GLU51 |
| F | LYS246 |
| site_id | BC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 B 304 |
| Chain | Residue |
| B | GLN92 |
| B | LYS294 |
| B | SO4305 |
| D | HOH622 |
| site_id | BC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 B 305 |
| Chain | Residue |
| B | THR291 |
| B | LYS294 |
| B | SO4304 |
| B | HOH590 |
| C | ALA161 |
| C | PHE162 |
| site_id | BC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE SO4 B 306 |
| Chain | Residue |
| B | ALA161 |
| B | PHE162 |
| B | HOH633 |
| C | THR291 |
| C | LYS294 |
| C | SO4303 |
| site_id | BC6 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 C 301 |
| Chain | Residue |
| C | HIS152 |
| C | PRO153 |
| C | HIS182 |
| C | HOH437 |
| C | HOH449 |
| C | HOH463 |
| C | HOH517 |
| C | HOH630 |
| site_id | BC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 C 302 |
| Chain | Residue |
| C | HIS152 |
| C | SER280 |
| C | ARG282 |
| site_id | BC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 C 303 |
| Chain | Residue |
| B | SO4306 |
| C | GLN92 |
| C | LYS294 |
| site_id | BC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 C 304 |
| Chain | Residue |
| C | ALA25 |
| C | PRO27 |
| C | GLU82 |
| C | HOH604 |
| C | HOH688 |
| site_id | CC1 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 C 305 |
| Chain | Residue |
| C | HOH469 |
| C | HOH581 |
| C | HOH589 |
| C | TYR63 |
| C | HIS121 |
| C | ASN150 |
| C | TRP197 |
| site_id | CC2 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 C 306 |
| Chain | Residue |
| C | ARG44 |
| C | ASP48 |
| C | GLU51 |
| C | LYS246 |
| E | ARG44 |
| E | ASP48 |
| E | GLU51 |
| E | LYS246 |
| site_id | CC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 C 307 |
| Chain | Residue |
| C | LYS222 |
| C | GLN226 |
| C | ASN254 |
| C | HOH549 |
| C | HOH660 |
| site_id | CC4 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 C 308 |
| Chain | Residue |
| C | SER243 |
| C | VAL244 |
| C | ARG248 |
| site_id | CC5 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 D 301 |
| Chain | Residue |
| A | HOH574 |
| D | HIS152 |
| D | PRO153 |
| D | HIS182 |
| D | HOH419 |
| D | HOH440 |
| D | HOH448 |
| D | HOH588 |
| site_id | CC6 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 D 302 |
| Chain | Residue |
| C | GLN139 |
| C | HOH636 |
| D | ALA161 |
| D | THR291 |
| D | LYS294 |
| site_id | CC7 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 D 303 |
| Chain | Residue |
| D | LEU73 |
| D | LYS74 |
| D | ILE78 |
| site_id | CC8 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 D 304 |
| Chain | Residue |
| D | HIS152 |
| D | GLN180 |
| D | HOH410 |
| D | HOH471 |
| site_id | CC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 D 305 |
| Chain | Residue |
| D | ALA25 |
| D | GLU82 |
| D | HOH435 |
| D | HOH625 |
| site_id | DC1 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 D 306 |
| Chain | Residue |
| D | SER243 |
| D | VAL244 |
| D | ARG248 |
| site_id | DC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO4 E 301 |
| Chain | Residue |
| E | HIS152 |
| E | PRO153 |
| E | HIS182 |
| E | ALA183 |
| E | HOH423 |
| E | HOH426 |
| E | HOH446 |
| E | HOH455 |
| E | HOH664 |
| site_id | DC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 E 302 |
| Chain | Residue |
| E | ALA25 |
| E | GLU82 |
| E | HOH625 |
| site_id | DC4 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 E 303 |
| Chain | Residue |
| E | LEU73 |
| E | LYS74 |
| E | ILE78 |
| E | HOH506 |
| site_id | DC5 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 E 304 |
| Chain | Residue |
| E | ALA161 |
| E | PHE162 |
| E | HOH596 |
| E | HOH605 |
| F | THR291 |
| F | LYS294 |
| F | SO4304 |
| site_id | DC6 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 E 305 |
| Chain | Residue |
| E | SER243 |
| E | VAL244 |
| E | ARG248 |
| site_id | DC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 E 306 |
| Chain | Residue |
| C | LYS74 |
| C | LEU75 |
| C | GLY77 |
| E | ALA40 |
| E | GLU41 |
| E | ARG44 |
| E | HOH646 |
| site_id | DC8 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 E 307 |
| Chain | Residue |
| A | GLN139 |
| E | THR291 |
| E | LYS294 |
| E | HOH492 |
| E | HOH599 |
| F | ALA161 |
| F | PHE162 |
| site_id | DC9 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 F 301 |
| Chain | Residue |
| F | ALA25 |
| F | GLU82 |
| F | HOH442 |
| F | HOH566 |
| site_id | EC1 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE SO4 F 302 |
| Chain | Residue |
| F | HIS152 |
| F | PRO153 |
| F | HIS182 |
| F | ALA183 |
| F | HOH409 |
| F | HOH438 |
| F | HOH480 |
| F | HOH644 |
| site_id | EC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 F 303 |
| Chain | Residue |
| B | LYS74 |
| B | LEU75 |
| B | GLY77 |
| F | ALA40 |
| site_id | EC3 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE SO4 F 304 |
| Chain | Residue |
| E | SO4304 |
| F | GLN92 |
| F | LYS294 |
| site_id | EC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO4 F 305 |
| Chain | Residue |
| F | PHE34 |
| F | TYR63 |
| F | HIS121 |
| F | ASN150 |
| F | TRP197 |
| F | HOH441 |
| F | HOH638 |
| site_id | EC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE SO4 F 306 |
| Chain | Residue |
| F | LEU73 |
| F | LYS74 |
| F | ILE78 |
| F | ARG80 |
| F | LEU112 |
| site_id | EC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE SO4 F 307 |
| Chain | Residue |
| F | ARG132 |
| F | PHE162 |
| F | HOH418 |
| F | HOH588 |
Functional Information from PROSITE/UniProt
| site_id | PS00062 |
| Number of Residues | 18 |
| Details | ALDOKETO_REDUCTASE_2 Aldo/keto reductase family signature 2. MeelhqagkIRAIGVSNF |
| Chain | Residue | Details |
| A | MSE134-PHE151 |
| site_id | PS00798 |
| Number of Residues | 18 |
| Details | ALDOKETO_REDUCTASE_1 Aldo/keto reductase family signature 1. GYRLIDTAasyqnEtqVG |
| Chain | Residue | Details |
| A | GLY53-GLY70 |
