6ZZO
Crystal structure of (R)-3-hydroxybutyrate dehydrogenase from Psychrobacter arcticus complexed with NAD+ and acetoacetate
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0003858 | molecular_function | 3-hydroxybutyrate dehydrogenase activity |
| A | 0016491 | molecular_function | oxidoreductase activity |
| A | 0032787 | biological_process | monocarboxylic acid metabolic process |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0003858 | molecular_function | 3-hydroxybutyrate dehydrogenase activity |
| B | 0016491 | molecular_function | oxidoreductase activity |
| B | 0032787 | biological_process | monocarboxylic acid metabolic process |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0003858 | molecular_function | 3-hydroxybutyrate dehydrogenase activity |
| C | 0016491 | molecular_function | oxidoreductase activity |
| C | 0032787 | biological_process | monocarboxylic acid metabolic process |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0003858 | molecular_function | 3-hydroxybutyrate dehydrogenase activity |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 0032787 | biological_process | monocarboxylic acid metabolic process |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 33 |
| Details | binding site for residue NAD A 301 |
| Chain | Residue |
| A | GLY18 |
| A | ASN95 |
| A | ALA96 |
| A | HIS119 |
| A | MET146 |
| A | GLY147 |
| A | TYR161 |
| A | LYS165 |
| A | PRO191 |
| A | GLY192 |
| A | PHE193 |
| A | SER21 |
| A | VAL194 |
| A | THR196 |
| A | PRO197 |
| A | LEU198 |
| A | VAL199 |
| A | AAE302 |
| A | HOH411 |
| A | HOH469 |
| A | HOH472 |
| A | HOH515 |
| A | GLY22 |
| A | HOH536 |
| A | HOH576 |
| A | HOH596 |
| A | HOH597 |
| A | ILE23 |
| A | ASP42 |
| A | ILE43 |
| A | MET67 |
| A | ASP68 |
| A | VAL69 |
| site_id | AC2 |
| Number of Residues | 8 |
| Details | binding site for residue AAE A 302 |
| Chain | Residue |
| A | GLN99 |
| A | SER148 |
| A | HIS150 |
| A | LYS158 |
| A | TYR161 |
| A | PHE193 |
| A | NAD301 |
| A | HOH571 |
| site_id | AC3 |
| Number of Residues | 34 |
| Details | binding site for residue NAD B 301 |
| Chain | Residue |
| B | GLY18 |
| B | ALA20 |
| B | SER21 |
| B | GLY22 |
| B | ILE23 |
| B | ASP42 |
| B | ILE43 |
| B | MET67 |
| B | ASP68 |
| B | VAL69 |
| B | ASN95 |
| B | ALA96 |
| B | GLY97 |
| B | HIS119 |
| B | MET146 |
| B | GLY147 |
| B | TYR161 |
| B | LYS165 |
| B | PRO191 |
| B | GLY192 |
| B | PHE193 |
| B | VAL194 |
| B | THR196 |
| B | PRO197 |
| B | LEU198 |
| B | VAL199 |
| B | AAE302 |
| B | HOH446 |
| B | HOH465 |
| B | HOH478 |
| B | HOH495 |
| B | HOH546 |
| B | HOH568 |
| B | HOH588 |
| site_id | AC4 |
| Number of Residues | 9 |
| Details | binding site for residue AAE B 302 |
| Chain | Residue |
| B | GLN99 |
| B | SER148 |
| B | HIS150 |
| B | LYS158 |
| B | TYR161 |
| B | PHE193 |
| B | LEU198 |
| B | GLN202 |
| B | NAD301 |
| site_id | AC5 |
| Number of Residues | 33 |
| Details | binding site for residue NAD C 301 |
| Chain | Residue |
| C | TYR161 |
| C | LYS165 |
| C | PRO191 |
| C | GLY192 |
| C | PHE193 |
| C | VAL194 |
| C | THR196 |
| C | PRO197 |
| C | LEU198 |
| C | VAL199 |
| C | AAE302 |
| C | HOH437 |
| C | HOH494 |
| C | HOH496 |
| C | HOH505 |
| C | HOH527 |
| C | HOH607 |
| C | HOH627 |
| C | GLY18 |
| C | SER21 |
| C | GLY22 |
| C | ILE23 |
| C | ASP42 |
| C | ILE43 |
| C | MET67 |
| C | ASP68 |
| C | VAL69 |
| C | ASN95 |
| C | ALA96 |
| C | GLY97 |
| C | HIS119 |
| C | MET146 |
| C | GLY147 |
| site_id | AC6 |
| Number of Residues | 9 |
| Details | binding site for residue AAE C 302 |
| Chain | Residue |
| C | GLN99 |
| C | SER148 |
| C | HIS150 |
| C | LYS158 |
| C | TYR161 |
| C | PHE193 |
| C | GLN202 |
| C | NAD301 |
| C | HOH416 |
| site_id | AC7 |
| Number of Residues | 33 |
| Details | binding site for residue NAD D 301 |
| Chain | Residue |
| D | GLY18 |
| D | SER21 |
| D | GLY22 |
| D | ILE23 |
| D | ASP42 |
| D | ILE43 |
| D | MET67 |
| D | ASP68 |
| D | VAL69 |
| D | ASN95 |
| D | ALA96 |
| D | HIS119 |
| D | MET146 |
| D | GLY147 |
| D | TYR161 |
| D | LYS165 |
| D | PRO191 |
| D | GLY192 |
| D | PHE193 |
| D | VAL194 |
| D | THR196 |
| D | PRO197 |
| D | LEU198 |
| D | VAL199 |
| D | AAE302 |
| D | HOH434 |
| D | HOH443 |
| D | HOH465 |
| D | HOH479 |
| D | HOH503 |
| D | HOH529 |
| D | HOH570 |
| D | HOH591 |
| site_id | AC8 |
| Number of Residues | 9 |
| Details | binding site for residue AAE D 302 |
| Chain | Residue |
| D | GLN99 |
| D | SER148 |
| D | HIS150 |
| D | LYS158 |
| D | TYR161 |
| D | PHE193 |
| D | LEU198 |
| D | GLN202 |
| D | NAD301 |
Functional Information from PROSITE/UniProt
| site_id | PS00061 |
| Number of Residues | 29 |
| Details | ADH_SHORT Short-chain dehydrogenases/reductases family signature. SvhsheaslfKapYVTAKHGLlGLCrVLA |
| Chain | Residue | Details |
| A | SER148-ALA176 |
