5JY1
Crystal Structure of putative short-chain dehydrogenase/reductase from Burkholderia xenovorans LB400 bound to NAD
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0004316 | molecular_function | 3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) 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 |
| B | 0000166 | molecular_function | nucleotide binding |
| B | 0004316 | molecular_function | 3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) 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 |
| C | 0000166 | molecular_function | nucleotide binding |
| C | 0004316 | molecular_function | 3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) 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 |
| D | 0000166 | molecular_function | nucleotide binding |
| D | 0004316 | molecular_function | 3-oxoacyl-[acyl-carrier-protein] reductase (NADPH) 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 |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 31 |
| Details | binding site for residue NAD A 301 |
| Chain | Residue |
| A | GLY13 |
| A | ASN90 |
| A | ALA91 |
| A | PHE92 |
| A | VAL93 |
| A | PHE141 |
| A | TYR142 |
| A | SER143 |
| A | TYR156 |
| A | LYS160 |
| A | PRO186 |
| A | GLY16 |
| A | THR187 |
| A | ALA188 |
| A | ALA191 |
| A | ACT304 |
| A | HOH406 |
| A | HOH420 |
| A | HOH458 |
| A | HOH490 |
| A | HOH528 |
| A | HOH564 |
| A | GLY17 |
| A | HOH567 |
| A | HOH569 |
| A | ILE18 |
| A | GLU37 |
| A | ILE38 |
| A | THR62 |
| A | ASP63 |
| A | VAL64 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | binding site for residue CL A 302 |
| Chain | Residue |
| A | THR187 |
| A | ALA188 |
| A | ARG211 |
| A | GLY217 |
| site_id | AC3 |
| Number of Residues | 5 |
| Details | binding site for residue EDO A 303 |
| Chain | Residue |
| A | PHE92 |
| A | PRO94 |
| A | THR95 |
| A | TYR156 |
| A | HOH439 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue ACT A 304 |
| Chain | Residue |
| A | TYR156 |
| A | THR192 |
| A | NAD301 |
| A | HOH480 |
| site_id | AC5 |
| Number of Residues | 2 |
| Details | binding site for residue EDO A 305 |
| Chain | Residue |
| A | ARG131 |
| A | HOH436 |
| site_id | AC6 |
| Number of Residues | 2 |
| Details | binding site for residue ACT A 306 |
| Chain | Residue |
| A | GLU71 |
| A | HOH436 |
| site_id | AC7 |
| Number of Residues | 30 |
| Details | binding site for residue NAD B 301 |
| Chain | Residue |
| B | GLY13 |
| B | GLY16 |
| B | GLY17 |
| B | ILE18 |
| B | GLU37 |
| B | ILE38 |
| B | THR62 |
| B | ASP63 |
| B | VAL64 |
| B | ASN90 |
| B | PHE92 |
| B | VAL93 |
| B | TYR142 |
| B | SER143 |
| B | TYR156 |
| B | LYS160 |
| B | PRO186 |
| B | THR187 |
| B | ALA188 |
| B | ALA191 |
| B | ACT304 |
| B | HOH401 |
| B | HOH404 |
| B | HOH439 |
| B | HOH465 |
| B | HOH483 |
| B | HOH540 |
| B | HOH557 |
| B | HOH563 |
| B | HOH565 |
| site_id | AC8 |
| Number of Residues | 4 |
| Details | binding site for residue CL B 302 |
| Chain | Residue |
| B | THR187 |
| B | ALA188 |
| B | ARG211 |
| B | GLY217 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue EDO B 303 |
| Chain | Residue |
| B | PHE92 |
| B | PRO94 |
| B | THR95 |
| B | TYR156 |
| B | HOH445 |
| site_id | AD1 |
| Number of Residues | 4 |
| Details | binding site for residue ACT B 304 |
| Chain | Residue |
| B | TYR156 |
| B | THR192 |
| B | NAD301 |
| B | HOH477 |
| site_id | AD2 |
| Number of Residues | 29 |
| Details | binding site for residue NAD C 301 |
| Chain | Residue |
| C | VAL64 |
| C | ASN90 |
| C | PHE92 |
| C | VAL93 |
| C | TYR142 |
| C | SER143 |
| C | TYR156 |
| C | LYS160 |
| C | PRO186 |
| C | THR187 |
| C | ALA188 |
| C | ALA191 |
| C | ACT303 |
| C | HOH402 |
| C | HOH431 |
| C | HOH461 |
| C | HOH479 |
| C | HOH485 |
| C | HOH493 |
| C | HOH538 |
| C | HOH542 |
| C | GLY13 |
| C | GLY16 |
| C | GLY17 |
| C | ILE18 |
| C | GLU37 |
| C | ILE38 |
| C | THR62 |
| C | ASP63 |
| site_id | AD3 |
| Number of Residues | 5 |
| Details | binding site for residue EDO C 302 |
| Chain | Residue |
| C | PHE92 |
| C | PRO94 |
| C | THR95 |
| C | TYR156 |
| C | HOH507 |
| site_id | AD4 |
| Number of Residues | 3 |
| Details | binding site for residue ACT C 303 |
| Chain | Residue |
| C | TYR156 |
| C | THR192 |
| C | NAD301 |
| site_id | AD5 |
| Number of Residues | 4 |
| Details | binding site for residue CL C 304 |
| Chain | Residue |
| C | THR187 |
| C | ALA188 |
| C | ARG211 |
| C | GLY217 |
| site_id | AD6 |
| Number of Residues | 1 |
| Details | binding site for residue EDO C 305 |
| Chain | Residue |
| C | HOH554 |
| site_id | AD7 |
| Number of Residues | 28 |
| Details | binding site for residue NAD D 301 |
| Chain | Residue |
| D | GLY13 |
| D | GLY16 |
| D | GLY17 |
| D | ILE18 |
| D | GLU37 |
| D | ILE38 |
| D | THR62 |
| D | ASP63 |
| D | VAL64 |
| D | ASN90 |
| D | PHE92 |
| D | VAL93 |
| D | TYR142 |
| D | SER143 |
| D | TYR156 |
| D | LYS160 |
| D | PRO186 |
| D | THR187 |
| D | ALA188 |
| D | ALA191 |
| D | ACT302 |
| D | HOH409 |
| D | HOH443 |
| D | HOH479 |
| D | HOH489 |
| D | HOH496 |
| D | HOH551 |
| D | HOH575 |
| site_id | AD8 |
| Number of Residues | 4 |
| Details | binding site for residue ACT D 302 |
| Chain | Residue |
| D | TYR156 |
| D | THR192 |
| D | NAD301 |
| D | HOH469 |
| site_id | AD9 |
| Number of Residues | 4 |
| Details | binding site for residue CL D 303 |
| Chain | Residue |
| D | THR187 |
| D | ALA188 |
| D | ARG211 |
| D | GLY217 |
| site_id | AE1 |
| Number of Residues | 4 |
| Details | binding site for residue EDO D 304 |
| Chain | Residue |
| D | PRO94 |
| D | THR95 |
| D | TYR156 |
| D | HOH473 |
| site_id | AE2 |
| Number of Residues | 3 |
| Details | binding site for residue EDO D 305 |
| Chain | Residue |
| B | THR146 |
| B | HOH444 |
| D | ARG168 |
Functional Information from PROSITE/UniProt
| site_id | PS00061 |
| Number of Residues | 29 |
| Details | ADH_SHORT Short-chain dehydrogenases/reductases family signature. SidtetgawlHgdYNTAKAGIvGLTrSAA |
| Chain | Residue | Details |
| A | SER143-ALA171 |
