5OCM
Imine Reductase from Streptosporangium roseum in complex with NADP+ and 2,2,2-trifluoroacetophenone hydrate
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0003858 | molecular_function | 3-hydroxybutyrate dehydrogenase activity |
| A | 0005829 | cellular_component | cytosol |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0035064 | molecular_function | methylated histone binding |
| A | 0050661 | molecular_function | NADP binding |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0003858 | molecular_function | 3-hydroxybutyrate dehydrogenase activity |
| B | 0005829 | cellular_component | cytosol |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0035064 | molecular_function | methylated histone binding |
| B | 0050661 | molecular_function | NADP binding |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0003858 | molecular_function | 3-hydroxybutyrate dehydrogenase activity |
| C | 0005829 | cellular_component | cytosol |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0035064 | molecular_function | methylated histone binding |
| C | 0050661 | molecular_function | NADP binding |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0003858 | molecular_function | 3-hydroxybutyrate dehydrogenase activity |
| D | 0005829 | cellular_component | cytosol |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0035064 | molecular_function | methylated histone binding |
| D | 0050661 | molecular_function | NADP binding |
| E | 0000166 | molecular_function | nucleotide binding |
| E | 0003858 | molecular_function | 3-hydroxybutyrate dehydrogenase activity |
| E | 0005829 | cellular_component | cytosol |
| E | 0016491 | molecular_function | oxidoreductase activity |
| E | 0035064 | molecular_function | methylated histone binding |
| E | 0050661 | molecular_function | NADP binding |
| F | 0000166 | molecular_function | nucleotide binding |
| F | 0003858 | molecular_function | 3-hydroxybutyrate dehydrogenase activity |
| F | 0005829 | cellular_component | cytosol |
| F | 0016491 | molecular_function | oxidoreductase activity |
| F | 0035064 | molecular_function | methylated histone binding |
| F | 0050661 | molecular_function | NADP binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 26 |
| Details | binding site for residue NAP A 301 |
| Chain | Residue |
| A | LEU11 |
| A | SER68 |
| A | ALA72 |
| A | VAL76 |
| A | SER94 |
| A | ILE119 |
| A | ALA121 |
| A | PRO123 |
| A | HOH432 |
| A | HOH444 |
| A | HOH455 |
| A | GLY12 |
| A | HOH465 |
| A | HOH494 |
| A | HOH496 |
| F | ASP232 |
| F | ALA233 |
| F | 9RH302 |
| F | HOH483 |
| A | LEU13 |
| A | MET14 |
| A | ASN33 |
| A | ARG34 |
| A | SER35 |
| A | CYS66 |
| A | VAL67 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | binding site for residue 9RH A 302 |
| Chain | Residue |
| A | TRP208 |
| A | THR237 |
| A | HIS238 |
| A | THR241 |
| F | SER94 |
| F | ILE122 |
| F | LEU174 |
| F | NAP301 |
| site_id | AC3 |
| Number of Residues | 3 |
| Details | binding site for residue MG A 303 |
| Chain | Residue |
| A | HOH471 |
| C | ARG2 |
| C | HOH536 |
| site_id | AC4 |
| Number of Residues | 26 |
| Details | binding site for residue NAP B 301 |
| Chain | Residue |
| B | LEU11 |
| B | GLY12 |
| B | LEU13 |
| B | MET14 |
| B | ASN33 |
| B | ARG34 |
| B | SER35 |
| B | LYS38 |
| B | CYS66 |
| B | VAL67 |
| B | SER68 |
| B | ALA72 |
| B | VAL76 |
| B | SER94 |
| B | ILE119 |
| B | ALA121 |
| B | PRO123 |
| B | HOH456 |
| B | HOH474 |
| B | HOH477 |
| B | HOH487 |
| B | HOH488 |
| B | HOH508 |
| C | ASP232 |
| C | ALA233 |
| C | 9RH302 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue 9RH B 302 |
| Chain | Residue |
| B | THR237 |
| B | HIS238 |
| B | THR241 |
| C | ILE122 |
| C | LEU174 |
| C | NAP301 |
| site_id | AC6 |
| Number of Residues | 24 |
| Details | binding site for residue NAP C 301 |
| Chain | Residue |
| B | ASP232 |
| B | ALA233 |
| B | 9RH302 |
| C | LEU11 |
| C | GLY12 |
| C | LEU13 |
| C | MET14 |
| C | ASN33 |
| C | ARG34 |
| C | SER35 |
| C | CYS66 |
| C | VAL67 |
| C | SER68 |
| C | ALA72 |
| C | VAL76 |
| C | SER94 |
| C | ILE119 |
| C | ALA121 |
| C | PRO123 |
| C | HOH405 |
| C | HOH425 |
| C | HOH469 |
| C | HOH496 |
| C | HOH497 |
| site_id | AC7 |
| Number of Residues | 8 |
| Details | binding site for residue 9RH C 302 |
| Chain | Residue |
| C | HIS238 |
| C | THR241 |
| B | SER94 |
| B | ILE122 |
| B | LEU174 |
| B | NAP301 |
| C | TRP208 |
| C | THR237 |
| site_id | AC8 |
| Number of Residues | 6 |
| Details | binding site for residue MG C 303 |
| Chain | Residue |
| C | HOH411 |
| C | HOH426 |
| C | HOH483 |
| C | HOH594 |
| C | HOH599 |
| C | HOH601 |
| site_id | AC9 |
| Number of Residues | 27 |
| Details | binding site for residue NAP D 301 |
| Chain | Residue |
| D | LEU11 |
| D | GLY12 |
| D | LEU13 |
| D | MET14 |
| D | ASN33 |
| D | ARG34 |
| D | SER35 |
| D | CYS66 |
| D | VAL67 |
| D | SER68 |
| D | ALA72 |
| D | VAL76 |
| D | SER94 |
| D | ILE119 |
| D | ALA121 |
| D | PRO123 |
| D | HOH418 |
| D | HOH437 |
| D | HOH439 |
| D | HOH447 |
| D | HOH486 |
| D | HOH494 |
| D | HOH499 |
| D | HOH511 |
| E | ASP232 |
| E | ALA233 |
| E | 9RH302 |
| site_id | AD1 |
| Number of Residues | 6 |
| Details | binding site for residue 9RH D 302 |
| Chain | Residue |
| D | THR237 |
| D | HIS238 |
| D | THR241 |
| E | ILE122 |
| E | LEU174 |
| E | NAP301 |
| site_id | AD2 |
| Number of Residues | 6 |
| Details | binding site for residue MG D 303 |
| Chain | Residue |
| D | HOH420 |
| D | HOH504 |
| D | HOH565 |
| D | HOH584 |
| E | HOH430 |
| E | HOH484 |
| site_id | AD3 |
| Number of Residues | 6 |
| Details | binding site for residue MG D 304 |
| Chain | Residue |
| D | HOH475 |
| D | HOH483 |
| D | HOH484 |
| D | HOH583 |
| D | HOH590 |
| D | HOH592 |
| site_id | AD4 |
| Number of Residues | 5 |
| Details | binding site for residue MG D 305 |
| Chain | Residue |
| B | ASP78 |
| B | HOH501 |
| D | ASP3 |
| D | HOH497 |
| D | HOH573 |
| site_id | AD5 |
| Number of Residues | 27 |
| Details | binding site for residue NAP E 301 |
| Chain | Residue |
| D | ASP232 |
| D | ALA233 |
| D | 9RH302 |
| D | HOH465 |
| E | LEU11 |
| E | GLY12 |
| E | LEU13 |
| E | MET14 |
| E | ASN33 |
| E | ARG34 |
| E | SER35 |
| E | CYS66 |
| E | VAL67 |
| E | SER68 |
| E | ALA72 |
| E | VAL76 |
| E | SER94 |
| E | ILE119 |
| E | ALA121 |
| E | PRO123 |
| E | HOH409 |
| E | HOH438 |
| E | HOH500 |
| E | HOH510 |
| E | HOH539 |
| E | HOH541 |
| E | HOH558 |
| site_id | AD6 |
| Number of Residues | 7 |
| Details | binding site for residue 9RH E 302 |
| Chain | Residue |
| D | SER94 |
| D | LEU174 |
| D | NAP301 |
| E | TRP208 |
| E | THR237 |
| E | HIS238 |
| E | THR241 |
| site_id | AD7 |
| Number of Residues | 6 |
| Details | binding site for residue MG E 303 |
| Chain | Residue |
| E | HOH498 |
| E | HOH533 |
| E | HOH536 |
| E | HOH611 |
| E | HOH612 |
| E | HOH613 |
| site_id | AD8 |
| Number of Residues | 23 |
| Details | binding site for residue NAP F 301 |
| Chain | Residue |
| A | ASP232 |
| A | 9RH302 |
| F | LEU11 |
| F | GLY12 |
| F | LEU13 |
| F | MET14 |
| F | ASN33 |
| F | ARG34 |
| F | SER35 |
| F | CYS66 |
| F | VAL67 |
| F | SER68 |
| F | ALA72 |
| F | VAL76 |
| F | SER94 |
| F | ILE119 |
| F | ALA121 |
| F | PRO123 |
| F | HOH408 |
| F | HOH437 |
| F | HOH445 |
| F | HOH506 |
| F | HOH507 |
| site_id | AD9 |
| Number of Residues | 6 |
| Details | binding site for residue 9RH F 302 |
| Chain | Residue |
| A | SER94 |
| A | LEU174 |
| A | NAP301 |
| F | THR237 |
| F | HIS238 |
| F | THR241 |
| site_id | AE1 |
| Number of Residues | 6 |
| Details | binding site for residue MG F 303 |
| Chain | Residue |
| A | HOH560 |
| E | HOH427 |
| E | HOH531 |
| E | HOH609 |
| F | HOH443 |
| F | HOH556 |
