4E5K
Thermostable phosphite dehydrogenase in complex with NAD and sulfite
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0005829 | cellular_component | cytosol |
| A | 0008465 | molecular_function | hydroxypyruvate reductase (NADH) activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| A | 0030267 | molecular_function | glyoxylate reductase (NADPH) activity |
| A | 0050609 | molecular_function | phosphonate dehydrogenase activity |
| A | 0051287 | molecular_function | NAD binding |
| B | 0005829 | cellular_component | cytosol |
| B | 0008465 | molecular_function | hydroxypyruvate reductase (NADH) activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| B | 0030267 | molecular_function | glyoxylate reductase (NADPH) activity |
| B | 0050609 | molecular_function | phosphonate dehydrogenase activity |
| B | 0051287 | molecular_function | NAD binding |
| C | 0005829 | cellular_component | cytosol |
| C | 0008465 | molecular_function | hydroxypyruvate reductase (NADH) activity |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| C | 0030267 | molecular_function | glyoxylate reductase (NADPH) activity |
| C | 0050609 | molecular_function | phosphonate dehydrogenase activity |
| C | 0051287 | molecular_function | NAD binding |
| D | 0005829 | cellular_component | cytosol |
| D | 0008465 | molecular_function | hydroxypyruvate reductase (NADH) activity |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| D | 0030267 | molecular_function | glyoxylate reductase (NADPH) activity |
| D | 0050609 | molecular_function | phosphonate dehydrogenase activity |
| D | 0051287 | molecular_function | NAD binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NAD A 401 |
| Chain | Residue |
| A | LYS76 |
| A | ALA176 |
| A | ALA207 |
| A | LEU208 |
| A | PRO209 |
| A | PRO235 |
| A | CYS236 |
| A | ARG237 |
| A | ASP261 |
| A | HIS292 |
| A | GLY294 |
| A | GLY77 |
| A | SO3402 |
| A | HOH501 |
| A | HOH509 |
| A | HOH514 |
| A | HOH560 |
| A | HOH578 |
| A | HOH611 |
| A | HOH637 |
| A | THR104 |
| A | GLY152 |
| A | GLY154 |
| A | ALA155 |
| A | ILE156 |
| A | HIS174 |
| A | GLU175 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE SO3 A 402 |
| Chain | Residue |
| A | MET53 |
| A | LEU75 |
| A | LYS76 |
| A | GLY77 |
| A | LEU100 |
| A | ARG237 |
| A | HIS292 |
| A | NAD401 |
| A | HOH637 |
| site_id | AC3 |
| Number of Residues | 31 |
| Details | BINDING SITE FOR RESIDUE NAD B 401 |
| Chain | Residue |
| B | LYS76 |
| B | GLY77 |
| B | THR104 |
| B | GLY152 |
| B | GLY154 |
| B | ALA155 |
| B | ILE156 |
| B | HIS174 |
| B | GLU175 |
| B | ALA176 |
| B | ALA207 |
| B | LEU208 |
| B | PRO209 |
| B | PRO235 |
| B | CYS236 |
| B | ARG237 |
| B | ASP261 |
| B | VAL262 |
| B | HIS292 |
| B | GLY294 |
| B | SO3402 |
| B | HOH504 |
| B | HOH528 |
| B | HOH537 |
| B | HOH559 |
| B | HOH574 |
| B | HOH600 |
| B | HOH624 |
| B | HOH647 |
| B | HOH668 |
| B | HOH676 |
| site_id | AC4 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO3 B 402 |
| Chain | Residue |
| B | MET53 |
| B | LEU75 |
| B | LYS76 |
| B | GLY77 |
| B | ARG237 |
| B | HIS292 |
| B | NAD401 |
| site_id | AC5 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE NAD C 401 |
| Chain | Residue |
| C | HOH578 |
| C | LYS76 |
| C | GLY77 |
| C | THR104 |
| C | GLY152 |
| C | GLY154 |
| C | ALA155 |
| C | ILE156 |
| C | HIS174 |
| C | GLU175 |
| C | ALA176 |
| C | ALA207 |
| C | LEU208 |
| C | PRO209 |
| C | LEU217 |
| C | PRO235 |
| C | CYS236 |
| C | ARG237 |
| C | ASP261 |
| C | HIS292 |
| C | GLY294 |
| C | SO3402 |
| C | HOH515 |
| C | HOH524 |
| C | HOH534 |
| C | HOH552 |
| site_id | AC6 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO3 C 402 |
| Chain | Residue |
| C | MET53 |
| C | LEU75 |
| C | LYS76 |
| C | GLY77 |
| C | ARG237 |
| C | HIS292 |
| C | NAD401 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE SO3 D 401 |
| Chain | Residue |
| D | MET53 |
| D | LEU75 |
| D | LYS76 |
| D | GLY77 |
| D | LEU100 |
| D | ARG237 |
| D | HIS292 |
| site_id | AC8 |
| Number of Residues | 21 |
| Details | BINDING SITE FOR RESIDUE NAD D 402 |
| Chain | Residue |
| D | LYS76 |
| D | THR104 |
| D | GLY152 |
| D | GLY154 |
| D | ALA155 |
| D | ILE156 |
| D | HIS174 |
| D | GLU175 |
| D | ALA176 |
| D | ALA207 |
| D | LEU208 |
| D | PRO209 |
| D | LEU217 |
| D | PRO235 |
| D | CYS236 |
| D | ARG237 |
| D | ASP261 |
| D | HIS292 |
| D | GLY294 |
| D | HOH524 |
| D | HOH532 |
Functional Information from PROSITE/UniProt
| site_id | PS00671 |
| Number of Residues | 17 |
| Details | D_2_HYDROXYACID_DH_3 D-isomer specific 2-hydroxyacid dehydrogenases signature 3. VRpGaLLVNpCRGsVVD |
| Chain | Residue | Details |
| A | VAL226-ASP242 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 8 |
| Details | ACT_SITE: ACT_SITE => ECO:0000250 |
| Chain | Residue | Details |
| A | ARG237 | |
| A | GLU266 | |
| B | ARG237 | |
| B | GLU266 | |
| C | ARG237 | |
| C | GLU266 | |
| D | ARG237 | |
| D | GLU266 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton donor => ECO:0000250 |
| Chain | Residue | Details |
| A | HIS292 | |
| B | HIS292 | |
| C | HIS292 | |
| D | HIS292 |
| site_id | SWS_FT_FI3 |
| Number of Residues | 20 |
| Details | BINDING: BINDING => ECO:0000250 |
| Chain | Residue | Details |
| A | ALA155 | |
| B | HIS292 | |
| C | ALA155 | |
| C | GLU175 | |
| C | PRO235 | |
| C | ASP261 | |
| C | HIS292 | |
| D | ALA155 | |
| D | GLU175 | |
| D | PRO235 | |
| D | ASP261 | |
| A | GLU175 | |
| D | HIS292 | |
| A | PRO235 | |
| A | ASP261 | |
| A | HIS292 | |
| B | ALA155 | |
| B | GLU175 | |
| B | PRO235 | |
| B | ASP261 |
Catalytic Information from CSA
| site_id | MCSA1 |
| Number of Residues | 3 |
| Details | M-CSA 984 |
| Chain | Residue | Details |
| B | MET53 | electrostatic stabiliser |
| B | ARG237 | electrostatic stabiliser |
| B | HIS292 | proton acceptor, proton donor |
