4NMJ
Thermostable aldehyde dehydrogenase from Pyrobaculum sp. complexed with NADP+ at 2 A resolution
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| E | 0000166 | molecular_function | nucleotide binding |
| E | 0016491 | molecular_function | oxidoreductase activity |
| E | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| F | 0000166 | molecular_function | nucleotide binding |
| F | 0016491 | molecular_function | oxidoreductase activity |
| F | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| G | 0000166 | molecular_function | nucleotide binding |
| G | 0016491 | molecular_function | oxidoreductase activity |
| G | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
| H | 0000166 | molecular_function | nucleotide binding |
| H | 0016491 | molecular_function | oxidoreductase activity |
| H | 0016620 | molecular_function | oxidoreductase activity, acting on the aldehyde or oxo group of donors, NAD or NADP as acceptor |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 34 |
| Details | BINDING SITE FOR RESIDUE NAP A 500 |
| Chain | Residue |
| A | ILE151 |
| A | PRO210 |
| A | GLY211 |
| A | GLY215 |
| A | PHE229 |
| A | THR230 |
| A | GLY231 |
| A | GLU232 |
| A | THR235 |
| A | GLU238 |
| A | GLU253 |
| A | THR152 |
| A | LEU254 |
| A | GLY255 |
| A | CYS287 |
| A | GLU382 |
| A | PHE384 |
| A | LEU410 |
| A | PHE449 |
| A | HOH602 |
| A | HOH794 |
| A | HOH808 |
| A | PRO153 |
| A | HOH828 |
| A | HOH839 |
| A | HOH853 |
| A | HOH1022 |
| A | HOH1023 |
| A | TRP154 |
| A | ASN155 |
| A | ILE160 |
| A | LYS178 |
| A | ALA180 |
| A | SER181 |
| site_id | AC2 |
| Number of Residues | 33 |
| Details | BINDING SITE FOR RESIDUE NAP B 500 |
| Chain | Residue |
| B | ILE151 |
| B | THR152 |
| B | PRO153 |
| B | TRP154 |
| B | ASN155 |
| B | ILE160 |
| B | LYS178 |
| B | ALA180 |
| B | SER181 |
| B | PRO210 |
| B | GLY211 |
| B | GLY215 |
| B | GLU216 |
| B | PHE229 |
| B | THR230 |
| B | GLY231 |
| B | GLU232 |
| B | THR235 |
| B | GLU253 |
| B | LEU254 |
| B | GLY255 |
| B | CYS287 |
| B | GLU382 |
| B | PHE384 |
| B | LEU410 |
| B | HOH683 |
| B | HOH688 |
| B | HOH749 |
| B | HOH765 |
| B | HOH832 |
| B | HOH865 |
| B | HOH953 |
| B | HOH975 |
| site_id | AC3 |
| Number of Residues | 32 |
| Details | BINDING SITE FOR RESIDUE NAP C 500 |
| Chain | Residue |
| C | ILE151 |
| C | THR152 |
| C | PRO153 |
| C | TRP154 |
| C | ASN155 |
| C | LYS178 |
| C | ALA180 |
| C | SER181 |
| C | PRO210 |
| C | GLY211 |
| C | GLY215 |
| C | PHE229 |
| C | THR230 |
| C | GLY231 |
| C | GLU232 |
| C | THR235 |
| C | GLU253 |
| C | LEU254 |
| C | GLY255 |
| C | CYS287 |
| C | GLU382 |
| C | PHE384 |
| C | LEU410 |
| C | HOH748 |
| C | HOH785 |
| C | HOH803 |
| C | HOH861 |
| C | HOH948 |
| C | HOH983 |
| C | HOH996 |
| C | HOH1009 |
| C | HOH1010 |
| site_id | AC4 |
| Number of Residues | 31 |
| Details | BINDING SITE FOR RESIDUE NAP D 500 |
| Chain | Residue |
| D | ILE151 |
| D | THR152 |
| D | PRO153 |
| D | TRP154 |
| D | ASN155 |
| D | ILE160 |
| D | LYS178 |
| D | ALA180 |
| D | SER181 |
| D | PRO210 |
| D | GLY211 |
| D | GLY215 |
| D | GLU216 |
| D | PHE229 |
| D | THR230 |
| D | GLY231 |
| D | GLU232 |
| D | THR235 |
| D | GLU238 |
| D | GLU253 |
| D | LEU254 |
| D | GLY255 |
| D | CYS287 |
| D | GLU382 |
| D | PHE384 |
| D | LEU410 |
| D | PHE449 |
| D | HOH735 |
| D | HOH742 |
| D | HOH922 |
| D | HOH957 |
| site_id | AC5 |
| Number of Residues | 32 |
| Details | BINDING SITE FOR RESIDUE NAP E 500 |
| Chain | Residue |
| E | ILE151 |
| E | THR152 |
| E | PRO153 |
| E | TRP154 |
| E | ASN155 |
| E | ILE160 |
| E | LYS178 |
| E | ALA180 |
| E | SER181 |
| E | GLY211 |
| E | GLY215 |
| E | PHE229 |
| E | THR230 |
| E | GLY231 |
| E | GLU232 |
| E | THR235 |
| E | GLU253 |
| E | LEU254 |
| E | GLY255 |
| E | CYS287 |
| E | GLU382 |
| E | PHE384 |
| E | LEU410 |
| E | PHE449 |
| E | HOH647 |
| E | HOH672 |
| E | HOH711 |
| E | HOH764 |
| E | HOH835 |
| E | HOH882 |
| E | HOH900 |
| E | HOH923 |
| site_id | AC6 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE NAP F 500 |
| Chain | Residue |
| F | ILE151 |
| F | THR152 |
| F | PRO153 |
| F | TRP154 |
| F | ASN155 |
| F | ILE160 |
| F | LYS178 |
| F | ALA180 |
| F | SER181 |
| F | PRO210 |
| F | GLY211 |
| F | GLY215 |
| F | PHE229 |
| F | THR230 |
| F | GLY231 |
| F | GLU232 |
| F | THR235 |
| F | GLU253 |
| F | LEU254 |
| F | GLY255 |
| F | CYS287 |
| F | GLU382 |
| F | PHE384 |
| F | HOH719 |
| F | HOH802 |
| F | HOH833 |
| F | HOH862 |
| F | HOH878 |
| F | HOH914 |
| F | HOH970 |
| site_id | AC7 |
| Number of Residues | 35 |
| Details | BINDING SITE FOR RESIDUE NAP G 500 |
| Chain | Residue |
| G | ILE151 |
| G | THR152 |
| G | PRO153 |
| G | TRP154 |
| G | ASN155 |
| G | ILE160 |
| G | LYS178 |
| G | ALA180 |
| G | SER181 |
| G | PRO210 |
| G | GLY211 |
| G | GLY215 |
| G | GLU216 |
| G | PHE229 |
| G | THR230 |
| G | GLY231 |
| G | GLU232 |
| G | THR235 |
| G | GLU253 |
| G | LEU254 |
| G | GLY255 |
| G | CYS287 |
| G | GLU382 |
| G | PHE384 |
| G | LEU410 |
| G | PHE449 |
| G | HOH684 |
| G | HOH714 |
| G | HOH753 |
| G | HOH779 |
| G | HOH797 |
| G | HOH799 |
| G | HOH820 |
| G | HOH885 |
| G | HOH957 |
| site_id | AC8 |
| Number of Residues | 34 |
| Details | BINDING SITE FOR RESIDUE NAP H 500 |
| Chain | Residue |
| H | ILE151 |
| H | THR152 |
| H | PRO153 |
| H | TRP154 |
| H | ASN155 |
| H | ILE160 |
| H | LYS178 |
| H | PRO179 |
| H | ALA180 |
| H | SER181 |
| H | PRO210 |
| H | GLY211 |
| H | GLY215 |
| H | GLU216 |
| H | PHE229 |
| H | THR230 |
| H | GLY231 |
| H | GLU232 |
| H | THR235 |
| H | GLU253 |
| H | LEU254 |
| H | GLY255 |
| H | CYS287 |
| H | GLU382 |
| H | PHE384 |
| H | PHE449 |
| H | HOH708 |
| H | HOH746 |
| H | HOH758 |
| H | HOH812 |
| H | HOH872 |
| H | HOH934 |
| H | HOH963 |
| H | HOH1021 |
