6DBB
Crystal structure of a Putative aldehyde dehydrogenase family protein Burkholderia cenocepacia J2315 in complex with partially reduced NADH
Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0000166 | molecular_function | nucleotide binding |
A | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
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 | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
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 | 0004029 | molecular_function | aldehyde dehydrogenase (NAD+) activity |
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 |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 31 |
Details | binding site for residue NAD A 601 |
Chain | Residue |
A | ILE147 |
A | THR235 |
A | GLY236 |
A | SER237 |
A | MET240 |
A | GLU258 |
A | LEU259 |
A | GLY260 |
A | GLY261 |
A | CYS292 |
A | GLU390 |
A | SER148 |
A | PHE392 |
A | PHE459 |
A | NAX602 |
A | EDO605 |
A | HOH701 |
A | HOH708 |
A | HOH724 |
A | HOH737 |
A | HOH777 |
A | HOH861 |
A | ALA149 |
A | HOH988 |
A | HOH998 |
A | PHE150 |
A | ASN151 |
A | LYS174 |
A | SER176 |
A | GLU177 |
A | ARG217 |
site_id | AC2 |
Number of Residues | 31 |
Details | binding site for residue NAX A 602 |
Chain | Residue |
A | ILE147 |
A | SER148 |
A | ALA149 |
A | PHE150 |
A | ASN151 |
A | LYS174 |
A | SER176 |
A | GLU177 |
A | ARG217 |
A | THR235 |
A | GLY236 |
A | SER237 |
A | MET240 |
A | GLU258 |
A | LEU259 |
A | GLY260 |
A | GLY261 |
A | CYS292 |
A | GLU390 |
A | PHE392 |
A | PHE459 |
A | NAD601 |
A | EDO605 |
A | HOH701 |
A | HOH708 |
A | HOH724 |
A | HOH737 |
A | HOH777 |
A | HOH861 |
A | HOH988 |
A | HOH998 |
site_id | AC3 |
Number of Residues | 6 |
Details | binding site for residue EDO A 603 |
Chain | Residue |
A | LEU120 |
A | ALA126 |
A | TRP138 |
A | HOH792 |
A | HOH810 |
A | HOH850 |
site_id | AC4 |
Number of Residues | 6 |
Details | binding site for residue EDO A 604 |
Chain | Residue |
A | ILE141 |
A | GLU462 |
A | LYS463 |
A | ARG481 |
A | HOH713 |
A | HOH870 |
site_id | AC5 |
Number of Residues | 6 |
Details | binding site for residue EDO A 605 |
Chain | Residue |
A | GLU221 |
A | THR224 |
A | GLU243 |
A | VAL247 |
A | NAD601 |
A | NAX602 |
site_id | AC6 |
Number of Residues | 5 |
Details | binding site for residue EDO A 606 |
Chain | Residue |
A | ASP39 |
A | LYS47 |
A | LEU212 |
A | LEU214 |
A | HOH824 |
site_id | AC7 |
Number of Residues | 7 |
Details | binding site for residue EDO A 607 |
Chain | Residue |
A | SER318 |
A | VAL319 |
A | LYS320 |
A | GLY328 |
A | LEU330 |
A | GLN497 |
A | GLY498 |
site_id | AC8 |
Number of Residues | 5 |
Details | binding site for residue EDO A 608 |
Chain | Residue |
A | GLU313 |
A | ALA317 |
A | GLY359 |
A | HOH735 |
A | HOH838 |
site_id | AC9 |
Number of Residues | 5 |
Details | binding site for residue EDO A 609 |
Chain | Residue |
A | VAL156 |
A | TRP159 |
A | EDO610 |
A | GLU105 |
A | PHE152 |
site_id | AD1 |
Number of Residues | 7 |
Details | binding site for residue EDO A 610 |
Chain | Residue |
A | PHE152 |
A | ARG291 |
A | CYS292 |
A | THR293 |
A | EDO609 |
A | HOH718 |
A | HOH908 |
site_id | AD2 |
Number of Residues | 6 |
Details | binding site for residue EDO A 611 |
Chain | Residue |
A | HIS187 |
A | GLN191 |
A | ALA207 |
A | GLU208 |
A | GLY210 |
A | HOH951 |
site_id | AD3 |
Number of Residues | 32 |
Details | binding site for residue NAD B 601 |
Chain | Residue |
B | ILE147 |
B | SER148 |
B | ALA149 |
B | PHE150 |
B | ASN151 |
B | LYS174 |
B | PRO175 |
B | SER176 |
B | GLU177 |
B | ARG217 |
B | THR235 |
B | GLY236 |
B | SER237 |
B | MET240 |
B | GLU258 |
B | LEU259 |
B | GLY260 |
B | GLY261 |
B | CYS292 |
B | GLU390 |
B | PHE392 |
B | PHE459 |
B | NAX602 |
B | EDO605 |
B | HOH705 |
B | HOH715 |
B | HOH752 |
B | HOH757 |
B | HOH780 |
B | HOH880 |
B | HOH987 |
B | HOH1014 |
site_id | AD4 |
Number of Residues | 32 |
Details | binding site for residue NAX B 602 |
Chain | Residue |
B | ILE147 |
B | SER148 |
B | ALA149 |
B | PHE150 |
B | ASN151 |
B | LYS174 |
B | PRO175 |
B | SER176 |
B | GLU177 |
B | ARG217 |
B | THR235 |
B | GLY236 |
B | SER237 |
B | MET240 |
B | GLU258 |
B | LEU259 |
B | GLY260 |
B | GLY261 |
B | CYS292 |
B | GLU390 |
B | PHE392 |
B | PHE459 |
B | NAD601 |
B | EDO605 |
B | HOH705 |
B | HOH715 |
B | HOH752 |
B | HOH757 |
B | HOH780 |
B | HOH880 |
B | HOH987 |
B | HOH1014 |
site_id | AD5 |
Number of Residues | 6 |
Details | binding site for residue EDO B 603 |
Chain | Residue |
B | LEU120 |
B | TRP138 |
B | HOH754 |
B | HOH758 |
B | HOH858 |
C | ALA126 |
site_id | AD6 |
Number of Residues | 7 |
Details | binding site for residue EDO B 604 |
Chain | Residue |
B | ILE141 |
B | GLU462 |
B | LYS463 |
B | ARG481 |
B | HOH777 |
B | HOH863 |
B | HOH892 |
site_id | AD7 |
Number of Residues | 7 |
Details | binding site for residue EDO B 605 |
Chain | Residue |
B | GLU221 |
B | THR224 |
B | GLU243 |
B | VAL247 |
B | NAD601 |
B | NAX602 |
B | HOH938 |
site_id | AD8 |
Number of Residues | 5 |
Details | binding site for residue EDO B 606 |
Chain | Residue |
B | ASP39 |
B | LYS47 |
B | LEU212 |
B | HOH781 |
B | HOH1011 |
site_id | AD9 |
Number of Residues | 6 |
Details | binding site for residue EDO B 607 |
Chain | Residue |
B | SER318 |
B | LYS320 |
B | GLY328 |
B | LEU330 |
B | GLY498 |
B | HOH825 |
site_id | AE1 |
Number of Residues | 5 |
Details | binding site for residue EDO B 608 |
Chain | Residue |
B | GLU313 |
B | GLY359 |
B | HOH764 |
B | HOH978 |
B | HOH1016 |
site_id | AE2 |
Number of Residues | 5 |
Details | binding site for residue EDO B 609 |
Chain | Residue |
B | GLU105 |
B | PHE152 |
B | VAL156 |
B | TRP159 |
B | EDO610 |
site_id | AE3 |
Number of Residues | 4 |
Details | binding site for residue EDO B 610 |
Chain | Residue |
B | PHE152 |
B | CYS292 |
B | THR293 |
B | EDO609 |
site_id | AE4 |
Number of Residues | 28 |
Details | binding site for residue NAD C 601 |
Chain | Residue |
C | ILE147 |
C | SER148 |
C | ALA149 |
C | PHE150 |
C | ASN151 |
C | LYS174 |
C | PRO175 |
C | SER176 |
C | GLU177 |
C | GLY220 |
C | GLU221 |
C | THR235 |
C | GLY236 |
C | SER237 |
C | MET240 |
C | GLU243 |
C | GLU258 |
C | LEU259 |
C | GLY260 |
C | CYS292 |
C | GLU390 |
C | PHE392 |
C | PHE459 |
C | NAX602 |
C | HOH714 |
C | HOH753 |
C | HOH863 |
C | HOH882 |
site_id | AE5 |
Number of Residues | 28 |
Details | binding site for residue NAX C 602 |
Chain | Residue |
C | ILE147 |
C | SER148 |
C | ALA149 |
C | PHE150 |
C | ASN151 |
C | LYS174 |
C | PRO175 |
C | SER176 |
C | GLU177 |
C | GLY220 |
C | GLU221 |
C | THR235 |
C | GLY236 |
C | SER237 |
C | MET240 |
C | GLU243 |
C | GLU258 |
C | LEU259 |
C | GLY260 |
C | CYS292 |
C | GLU390 |
C | PHE392 |
C | PHE459 |
C | NAD601 |
C | HOH714 |
C | HOH753 |
C | HOH863 |
C | HOH882 |
site_id | AE6 |
Number of Residues | 6 |
Details | binding site for residue EDO C 603 |
Chain | Residue |
B | ALA126 |
C | LEU120 |
C | TRP138 |
C | HOH777 |
C | HOH817 |
C | HOH832 |
site_id | AE7 |
Number of Residues | 5 |
Details | binding site for residue EDO C 604 |
Chain | Residue |
C | ILE141 |
C | GLU462 |
C | LYS463 |
C | ARG481 |
C | HOH750 |
site_id | AE8 |
Number of Residues | 5 |
Details | binding site for residue EDO C 605 |
Chain | Residue |
C | SER318 |
C | LYS320 |
C | GLY328 |
C | GLN497 |
C | GLY498 |
site_id | AE9 |
Number of Residues | 4 |
Details | binding site for residue EDO C 606 |
Chain | Residue |
C | GLU313 |
C | LYS358 |
C | GLY359 |
C | HOH791 |
site_id | AF1 |
Number of Residues | 3 |
Details | binding site for residue EDO C 607 |
Chain | Residue |
C | GLU105 |
C | TRP159 |
C | EDO608 |
site_id | AF2 |
Number of Residues | 4 |
Details | binding site for residue EDO C 608 |
Chain | Residue |
C | PHE152 |
C | CYS292 |
C | THR293 |
C | EDO607 |
site_id | AF3 |
Number of Residues | 3 |
Details | binding site for residue EDO C 609 |
Chain | Residue |
C | HIS187 |
C | GLN191 |
C | GLU208 |