5VT6
Crystal structure of Acetoacetyl-CoA Reductase from Burkholderia pseudomallei 1710b complexed with NADP
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0005737 | cellular_component | cytoplasm |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0018454 | molecular_function | acetoacetyl-CoA reductase activity |
| A | 0032787 | biological_process | monocarboxylic acid metabolic process |
| A | 0042619 | biological_process | poly-hydroxybutyrate biosynthetic process |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0005737 | cellular_component | cytoplasm |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0018454 | molecular_function | acetoacetyl-CoA reductase activity |
| B | 0032787 | biological_process | monocarboxylic acid metabolic process |
| B | 0042619 | biological_process | poly-hydroxybutyrate biosynthetic process |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0005737 | cellular_component | cytoplasm |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0018454 | molecular_function | acetoacetyl-CoA reductase activity |
| C | 0032787 | biological_process | monocarboxylic acid metabolic process |
| C | 0042619 | biological_process | poly-hydroxybutyrate biosynthetic process |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0005737 | cellular_component | cytoplasm |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0018454 | molecular_function | acetoacetyl-CoA reductase activity |
| D | 0032787 | biological_process | monocarboxylic acid metabolic process |
| D | 0042619 | biological_process | poly-hydroxybutyrate biosynthetic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 41 |
| Details | binding site for residue NAP A 301 |
| Chain | Residue |
| A | GLY11 |
| A | VAL63 |
| A | ASN89 |
| A | ALA90 |
| A | GLY91 |
| A | ILE92 |
| A | THR112 |
| A | ILE139 |
| A | GLY140 |
| A | TYR154 |
| A | LYS158 |
| A | GLY14 |
| A | PRO184 |
| A | GLY185 |
| A | TYR186 |
| A | LEU187 |
| A | THR189 |
| A | ACT302 |
| A | EDO305 |
| A | HOH401 |
| A | HOH413 |
| A | HOH427 |
| A | GLY15 |
| A | HOH428 |
| A | HOH437 |
| A | HOH438 |
| A | HOH440 |
| A | HOH457 |
| A | HOH467 |
| A | HOH478 |
| A | HOH495 |
| A | HOH496 |
| A | HOH502 |
| A | LEU16 |
| A | HOH509 |
| A | HOH531 |
| A | HIS35 |
| A | SER36 |
| A | ASN39 |
| A | VAL61 |
| A | ASP62 |
| site_id | AC2 |
| Number of Residues | 7 |
| Details | binding site for residue ACT A 302 |
| Chain | Residue |
| A | SER141 |
| A | ASN143 |
| A | TYR154 |
| A | TYR186 |
| A | NAP301 |
| A | EDO305 |
| A | HOH424 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 303 |
| Chain | Residue |
| A | GLY15 |
| A | ALA188 |
| A | THR189 |
| A | ALA190 |
| A | HOH413 |
| site_id | AC4 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 304 |
| Chain | Residue |
| A | HOH403 |
| A | HOH572 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 305 |
| Chain | Residue |
| A | THR93 |
| A | TYR154 |
| A | NAP301 |
| A | ACT302 |
| A | HOH478 |
| A | HOH481 |
| site_id | AC6 |
| Number of Residues | 6 |
| Details | binding site for residue EDO A 306 |
| Chain | Residue |
| A | SER43 |
| A | LEU46 |
| A | ARG50 |
| A | HOH405 |
| C | ALA60 |
| C | EDO303 |
| site_id | AC7 |
| Number of Residues | 3 |
| Details | binding site for residue EDO A 307 |
| Chain | Residue |
| A | GLY211 |
| A | HOH433 |
| A | HOH472 |
| site_id | AC8 |
| Number of Residues | 38 |
| Details | binding site for residue NAP B 301 |
| Chain | Residue |
| B | HOH444 |
| B | HOH454 |
| B | HOH464 |
| B | HOH479 |
| B | HOH482 |
| B | HOH483 |
| B | HOH486 |
| B | HOH487 |
| B | HOH519 |
| B | GLY11 |
| B | GLY14 |
| B | GLY15 |
| B | LEU16 |
| B | HIS35 |
| B | SER36 |
| B | ASN39 |
| B | VAL61 |
| B | ASP62 |
| B | VAL63 |
| B | ASN89 |
| B | ALA90 |
| B | GLY91 |
| B | ILE92 |
| B | ILE139 |
| B | GLY140 |
| B | TYR154 |
| B | LYS158 |
| B | PRO184 |
| B | GLY185 |
| B | TYR186 |
| B | LEU187 |
| B | THR189 |
| B | ACT302 |
| B | EDO303 |
| B | HOH409 |
| B | HOH419 |
| B | HOH425 |
| B | HOH441 |
| site_id | AC9 |
| Number of Residues | 7 |
| Details | binding site for residue ACT B 302 |
| Chain | Residue |
| B | SER141 |
| B | TYR154 |
| B | TYR186 |
| B | NAP301 |
| B | EDO303 |
| B | HOH425 |
| B | HOH463 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue EDO B 303 |
| Chain | Residue |
| B | TYR154 |
| B | NAP301 |
| B | ACT302 |
| B | HOH409 |
| site_id | AD2 |
| Number of Residues | 4 |
| Details | binding site for residue IMD B 304 |
| Chain | Residue |
| A | MET110 |
| A | ASP115 |
| B | MET110 |
| B | ASP115 |
| site_id | AD3 |
| Number of Residues | 41 |
| Details | binding site for residue NAP C 301 |
| Chain | Residue |
| C | GLY11 |
| C | GLY14 |
| C | GLY15 |
| C | LEU16 |
| C | HIS35 |
| C | SER36 |
| C | ASN39 |
| C | VAL61 |
| C | ASP62 |
| C | VAL63 |
| C | ASN89 |
| C | ALA90 |
| C | GLY91 |
| C | ILE92 |
| C | THR112 |
| C | ILE139 |
| C | GLY140 |
| C | TYR154 |
| C | LYS158 |
| C | PRO184 |
| C | GLY185 |
| C | TYR186 |
| C | LEU187 |
| C | THR189 |
| C | ACT302 |
| C | EDO304 |
| C | HOH410 |
| C | HOH421 |
| C | HOH429 |
| C | HOH434 |
| C | HOH437 |
| C | HOH445 |
| C | HOH447 |
| C | HOH464 |
| C | HOH465 |
| C | HOH474 |
| C | HOH484 |
| C | HOH485 |
| C | HOH489 |
| C | HOH533 |
| C | HOH541 |
| site_id | AD4 |
| Number of Residues | 7 |
| Details | binding site for residue ACT C 302 |
| Chain | Residue |
| C | SER141 |
| C | TYR154 |
| C | TYR186 |
| C | NAP301 |
| C | EDO304 |
| C | HOH410 |
| C | HOH480 |
| site_id | AD5 |
| Number of Residues | 6 |
| Details | binding site for residue EDO C 303 |
| Chain | Residue |
| A | ARG50 |
| A | EDO306 |
| C | GLU37 |
| C | ALA60 |
| C | SER68 |
| C | ARG71 |
| site_id | AD6 |
| Number of Residues | 4 |
| Details | binding site for residue EDO C 304 |
| Chain | Residue |
| C | TYR154 |
| C | NAP301 |
| C | ACT302 |
| C | HOH465 |
| site_id | AD7 |
| Number of Residues | 3 |
| Details | binding site for residue EDO C 305 |
| Chain | Residue |
| C | ARG94 |
| C | ASP95 |
| C | ASP105 |
| site_id | AD8 |
| Number of Residues | 6 |
| Details | binding site for residue IMD C 306 |
| Chain | Residue |
| C | MET110 |
| C | ASP115 |
| C | HOH512 |
| D | MET110 |
| D | ASP115 |
| D | HOH500 |
| site_id | AD9 |
| Number of Residues | 42 |
| Details | binding site for residue NAP D 301 |
| Chain | Residue |
| D | GLY11 |
| D | GLY14 |
| D | GLY15 |
| D | LEU16 |
| D | HIS35 |
| D | SER36 |
| D | ARG38 |
| D | ASN39 |
| D | VAL61 |
| D | ASP62 |
| D | VAL63 |
| D | ASN89 |
| D | ALA90 |
| D | GLY91 |
| D | ILE92 |
| D | THR112 |
| D | ILE139 |
| D | GLY140 |
| D | TYR154 |
| D | LYS158 |
| D | PRO184 |
| D | GLY185 |
| D | TYR186 |
| D | LEU187 |
| D | THR189 |
| D | ACT302 |
| D | EDO304 |
| D | EDO305 |
| D | HOH408 |
| D | HOH412 |
| D | HOH425 |
| D | HOH430 |
| D | HOH434 |
| D | HOH436 |
| D | HOH437 |
| D | HOH441 |
| D | HOH457 |
| D | HOH463 |
| D | HOH471 |
| D | HOH475 |
| D | HOH476 |
| D | HOH509 |
| site_id | AE1 |
| Number of Residues | 7 |
| Details | binding site for residue ACT D 302 |
| Chain | Residue |
| D | SER141 |
| D | TYR154 |
| D | TYR186 |
| D | NAP301 |
| D | EDO305 |
| D | HOH441 |
| D | HOH519 |
| site_id | AE2 |
| Number of Residues | 3 |
| Details | binding site for residue ACT D 303 |
| Chain | Residue |
| D | ASP217 |
| D | HOH413 |
| D | HOH422 |
| site_id | AE3 |
| Number of Residues | 7 |
| Details | binding site for residue EDO D 304 |
| Chain | Residue |
| B | GLU70 |
| D | SER36 |
| D | GLU37 |
| D | ARG38 |
| D | VAL61 |
| D | ASP62 |
| D | NAP301 |
| site_id | AE4 |
| Number of Residues | 5 |
| Details | binding site for residue EDO D 305 |
| Chain | Residue |
| D | TYR154 |
| D | NAP301 |
| D | ACT302 |
| D | HOH446 |
| D | HOH509 |
Functional Information from PROSITE/UniProt
| site_id | PS00061 |
| Number of Residues | 29 |
| Details | ADH_SHORT Short-chain dehydrogenases/reductases family signature. SvngsrgafgQanYASAKAGIhGFTkTLA |
| Chain | Residue | Details |
| A | SER141-ALA169 |
