2WSB
Crystal structure of the short-chain dehydrogenase Galactitol- Dehydrogenase (GatDH) of Rhodobacter sphaeroides in complex with NAD
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| 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 |
| A | 0046872 | molecular_function | metal ion binding |
| B | 0000166 | molecular_function | nucleotide binding |
| 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 |
| B | 0046872 | molecular_function | metal ion binding |
| C | 0000166 | molecular_function | nucleotide binding |
| 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 |
| C | 0046872 | molecular_function | metal ion binding |
| D | 0000166 | molecular_function | nucleotide binding |
| 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 |
| D | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG A 256 |
| Chain | Residue |
| A | TRP254 |
| A | HOH2465 |
| A | HOH2467 |
| B | TRP254 |
| B | HOH2413 |
| B | HOH2414 |
| site_id | AC2 |
| Number of Residues | 30 |
| Details | BINDING SITE FOR RESIDUE NAD A 500 |
| Chain | Residue |
| A | ILE23 |
| A | ASP42 |
| A | ARG43 |
| A | ALA65 |
| A | ASP66 |
| A | VAL67 |
| A | SER92 |
| A | ALA93 |
| A | GLY94 |
| A | VAL115 |
| A | LEU142 |
| A | GLY143 |
| A | SER144 |
| A | TYR159 |
| A | LYS163 |
| A | PRO189 |
| A | GLY190 |
| A | VAL192 |
| A | THR194 |
| A | MET196 |
| A | THR197 |
| A | POL1256 |
| A | HOH2158 |
| A | HOH2298 |
| A | HOH2300 |
| A | HOH2368 |
| A | HOH2469 |
| A | GLY18 |
| A | SER21 |
| A | GLY22 |
| site_id | AC3 |
| Number of Residues | 33 |
| Details | BINDING SITE FOR RESIDUE NAD B 500 |
| Chain | Residue |
| B | GLY18 |
| B | SER21 |
| B | GLY22 |
| B | ILE23 |
| B | ASP42 |
| B | ARG43 |
| B | GLU44 |
| B | ALA65 |
| B | ASP66 |
| B | VAL67 |
| B | SER92 |
| B | ALA93 |
| B | LEU142 |
| B | GLY143 |
| B | SER144 |
| B | TYR159 |
| B | LYS163 |
| B | PRO189 |
| B | GLY190 |
| B | VAL192 |
| B | THR194 |
| B | GLU195 |
| B | MET196 |
| B | THR197 |
| B | POL1255 |
| B | HOH2036 |
| B | HOH2137 |
| B | HOH2141 |
| B | HOH2192 |
| B | HOH2241 |
| B | HOH2243 |
| B | HOH2416 |
| B | HOH2417 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG C 256 |
| Chain | Residue |
| C | TRP254 |
| C | HOH2452 |
| C | HOH2453 |
| D | TRP254 |
| D | HOH2418 |
| D | HOH2420 |
| site_id | AC5 |
| Number of Residues | 34 |
| Details | BINDING SITE FOR RESIDUE NAD C 500 |
| Chain | Residue |
| C | THR197 |
| C | POL1255 |
| C | HOH2101 |
| C | HOH2126 |
| C | HOH2128 |
| C | HOH2136 |
| C | HOH2265 |
| C | HOH2266 |
| C | HOH2311 |
| C | HOH2456 |
| C | GLY18 |
| C | SER21 |
| C | GLY22 |
| C | ILE23 |
| C | ASP42 |
| C | ARG43 |
| C | GLU44 |
| C | ALA65 |
| C | ASP66 |
| C | VAL67 |
| C | SER92 |
| C | ALA93 |
| C | VAL115 |
| C | LEU142 |
| C | GLY143 |
| C | SER144 |
| C | TYR159 |
| C | LYS163 |
| C | PRO189 |
| C | GLY190 |
| C | TYR191 |
| C | VAL192 |
| C | THR194 |
| C | MET196 |
| site_id | AC6 |
| Number of Residues | 31 |
| Details | BINDING SITE FOR RESIDUE NAD D 500 |
| Chain | Residue |
| D | GLY18 |
| D | SER21 |
| D | GLY22 |
| D | ILE23 |
| D | ASP42 |
| D | ARG43 |
| D | ALA65 |
| D | ASP66 |
| D | VAL67 |
| D | SER92 |
| D | ALA93 |
| D | VAL115 |
| D | LEU142 |
| D | GLY143 |
| D | SER144 |
| D | TYR159 |
| D | LYS163 |
| D | PRO189 |
| D | GLY190 |
| D | VAL192 |
| D | THR194 |
| D | MET196 |
| D | THR197 |
| D | POL1256 |
| D | HOH2038 |
| D | HOH2128 |
| D | HOH2246 |
| D | HOH2247 |
| D | HOH2249 |
| D | HOH2421 |
| D | HOH2423 |
| site_id | AC7 |
| Number of Residues | 7 |
| Details | BINDING SITE FOR RESIDUE POL C 1255 |
| Chain | Residue |
| C | SER144 |
| C | MET145 |
| C | SER146 |
| C | ASN151 |
| C | TYR159 |
| C | NAD500 |
| C | POL1256 |
| site_id | AC8 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE POL A 1255 |
| Chain | Residue |
| A | ASN151 |
| A | GLN154 |
| A | TYR159 |
| site_id | AC9 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE POL B 1255 |
| Chain | Residue |
| B | SER144 |
| B | SER146 |
| B | ASN151 |
| B | TYR159 |
| B | TYR191 |
| B | MET196 |
| B | THR197 |
| B | NAD500 |
| B | POL1256 |
| site_id | BC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE POL B 1256 |
| Chain | Residue |
| B | ASN151 |
| B | GLN154 |
| B | MET160 |
| B | MET200 |
| B | POL1255 |
| site_id | BC2 |
| Number of Residues | 3 |
| Details | BINDING SITE FOR RESIDUE POL D 1255 |
| Chain | Residue |
| D | LEU98 |
| D | GLN154 |
| D | TYR159 |
| site_id | BC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE POL C 1256 |
| Chain | Residue |
| C | ALA96 |
| C | ASN151 |
| C | GLN154 |
| C | TYR159 |
| C | POL1255 |
| site_id | BC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE POL A 1256 |
| Chain | Residue |
| A | SER144 |
| A | SER146 |
| A | ASN151 |
| A | TYR159 |
| A | TYR191 |
| A | NAD500 |
| site_id | BC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE POL D 1256 |
| Chain | Residue |
| D | SER144 |
| D | SER146 |
| D | ASN151 |
| D | TYR159 |
| D | NAD500 |
Functional Information from SwissProt/UniProt
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | ACT_SITE: Proton acceptor => ECO:0000305|PubMed:20410293 |
| Chain | Residue | Details |
| A | TYR159 | |
| B | TYR159 | |
| C | TYR159 | |
| D | TYR159 |
| site_id | SWS_FT_FI2 |
| Number of Residues | 28 |
| Details | BINDING: BINDING => ECO:0000269|PubMed:20410293, ECO:0007744|PDB:2WDZ, ECO:0007744|PDB:2WSB, ECO:0007744|PDB:3LQF |
| Chain | Residue | Details |
| A | SER21 | |
| B | ASP66 | |
| B | TYR159 | |
| B | LYS163 | |
| B | VAL192 | |
| B | TRP254 | |
| C | SER21 | |
| C | ASP42 | |
| C | ASP66 | |
| C | TYR159 | |
| C | LYS163 | |
| A | ASP42 | |
| C | VAL192 | |
| C | TRP254 | |
| D | SER21 | |
| D | ASP42 | |
| D | ASP66 | |
| D | TYR159 | |
| D | LYS163 | |
| D | VAL192 | |
| D | TRP254 | |
| A | ASP66 | |
| A | TYR159 | |
| A | LYS163 | |
| A | VAL192 | |
| A | TRP254 | |
| B | SER21 | |
| B | ASP42 |
