1ZEM
Crystal Structure of NAD+-Bound Xylitol Dehydrogenase
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| 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 | 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 | 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 | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| E | 0000166 | molecular_function | nucleotide binding |
| E | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| F | 0000166 | molecular_function | nucleotide binding |
| F | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| G | 0000166 | molecular_function | nucleotide binding |
| G | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| H | 0000166 | molecular_function | nucleotide binding |
| H | 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 | 6 |
| Details | BINDING SITE FOR RESIDUE MG D 3264 |
| Chain | Residue |
| B | HOH3267 |
| B | HOH3277 |
| D | HOH5264 |
| D | HOH5271 |
| D | HOH5273 |
| D | HOH5288 |
| site_id | AC2 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG C 3265 |
| Chain | Residue |
| C | HOH4265 |
| C | HOH4279 |
| C | HOH4446 |
| A | HOH2270 |
| A | HOH2275 |
| A | HOH2338 |
| site_id | AC3 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG E 3266 |
| Chain | Residue |
| E | HOH6266 |
| E | HOH6272 |
| E | HOH6285 |
| G | HOH8267 |
| G | HOH8269 |
| G | HOH8274 |
| site_id | AC4 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG F 3267 |
| Chain | Residue |
| F | HOH7264 |
| F | HOH7265 |
| F | HOH7276 |
| H | HOH9266 |
| H | HOH9275 |
| H | HOH9277 |
| site_id | AC5 |
| Number of Residues | 6 |
| Details | BINDING SITE FOR RESIDUE MG C 3268 |
| Chain | Residue |
| C | HOH4362 |
| C | HOH4376 |
| C | HOH4392 |
| C | HOH4428 |
| C | HOH4429 |
| C | HOH4430 |
| site_id | AC6 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE NAD A 2263 |
| Chain | Residue |
| A | GLY14 |
| A | GLY16 |
| A | GLY17 |
| A | ASN18 |
| A | ILE19 |
| A | ASP38 |
| A | MET39 |
| A | CYS63 |
| A | ASP64 |
| A | VAL65 |
| A | ASN91 |
| A | ALA92 |
| A | GLY93 |
| A | ILE115 |
| A | THR142 |
| A | ALA143 |
| A | SER144 |
| A | TYR157 |
| A | LYS161 |
| A | PRO187 |
| A | GLY188 |
| A | MET190 |
| A | HOH2268 |
| A | HOH2385 |
| A | HOH2422 |
| site_id | AC7 |
| Number of Residues | 29 |
| Details | BINDING SITE FOR RESIDUE NAD B 3263 |
| Chain | Residue |
| B | GLY14 |
| B | GLY16 |
| B | GLY17 |
| B | ASN18 |
| B | ILE19 |
| B | ASP38 |
| B | MET39 |
| B | CYS63 |
| B | ASP64 |
| B | VAL65 |
| B | ASN91 |
| B | ALA92 |
| B | GLY93 |
| B | ILE115 |
| B | THR142 |
| B | ALA143 |
| B | SER144 |
| B | TYR157 |
| B | LYS161 |
| B | PRO187 |
| B | GLY188 |
| B | MET190 |
| B | HOH3297 |
| B | HOH3343 |
| B | HOH3398 |
| B | HOH3418 |
| B | HOH3420 |
| B | HOH3431 |
| B | HOH3460 |
| site_id | AC8 |
| Number of Residues | 33 |
| Details | BINDING SITE FOR RESIDUE NAD C 4263 |
| Chain | Residue |
| C | ALA143 |
| C | SER144 |
| C | TYR157 |
| C | LYS161 |
| C | PRO187 |
| C | MET190 |
| C | MET195 |
| C | HOH4267 |
| C | HOH4295 |
| C | HOH4321 |
| C | HOH4360 |
| C | HOH4366 |
| C | HOH4384 |
| C | HOH4387 |
| C | HOH4431 |
| C | HOH4432 |
| C | HOH4435 |
| C | HOH4507 |
| C | GLY14 |
| C | GLY16 |
| C | GLY17 |
| C | ASN18 |
| C | ILE19 |
| C | ASP38 |
| C | MET39 |
| C | CYS63 |
| C | ASP64 |
| C | VAL65 |
| C | ASN91 |
| C | ALA92 |
| C | GLY93 |
| C | ILE115 |
| C | THR142 |
| site_id | AC9 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NAD D 5263 |
| Chain | Residue |
| D | GLY14 |
| D | GLY16 |
| D | GLY17 |
| D | ASN18 |
| D | ILE19 |
| D | ASP38 |
| D | MET39 |
| D | CYS63 |
| D | ASP64 |
| D | VAL65 |
| D | ASN91 |
| D | ALA92 |
| D | GLY93 |
| D | ILE115 |
| D | THR142 |
| D | ALA143 |
| D | SER144 |
| D | TYR157 |
| D | LYS161 |
| D | PRO187 |
| D | GLY188 |
| D | MET190 |
| D | MET195 |
| D | HOH5265 |
| D | HOH5392 |
| D | HOH5411 |
| D | HOH5451 |
| site_id | BC1 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE NAD E 6263 |
| Chain | Residue |
| E | GLY14 |
| E | GLY16 |
| E | GLY17 |
| E | ASN18 |
| E | ILE19 |
| E | ASP38 |
| E | MET39 |
| E | CYS63 |
| E | ASP64 |
| E | VAL65 |
| E | ASN91 |
| E | ALA92 |
| E | GLY93 |
| E | THR142 |
| E | ALA143 |
| E | SER144 |
| E | TYR157 |
| E | LYS161 |
| E | PRO187 |
| E | GLY188 |
| E | MET190 |
| E | MET195 |
| E | HOH6291 |
| E | HOH6376 |
| E | HOH6442 |
| site_id | BC2 |
| Number of Residues | 24 |
| Details | BINDING SITE FOR RESIDUE NAD F 7263 |
| Chain | Residue |
| F | GLY14 |
| F | GLY16 |
| F | GLY17 |
| F | ASN18 |
| F | ILE19 |
| F | ASP38 |
| F | MET39 |
| F | CYS63 |
| F | ASP64 |
| F | VAL65 |
| F | ASN91 |
| F | ALA92 |
| F | GLY93 |
| F | THR142 |
| F | ALA143 |
| F | SER144 |
| F | TYR157 |
| F | LYS161 |
| F | PRO187 |
| F | GLY188 |
| F | MET190 |
| F | HOH7269 |
| F | HOH7365 |
| F | HOH7482 |
| site_id | BC3 |
| Number of Residues | 25 |
| Details | BINDING SITE FOR RESIDUE NAD G 8263 |
| Chain | Residue |
| G | GLY14 |
| G | GLY16 |
| G | GLY17 |
| G | ASN18 |
| G | ILE19 |
| G | ASP38 |
| G | MET39 |
| G | CYS63 |
| G | ASP64 |
| G | VAL65 |
| G | ASN91 |
| G | ALA92 |
| G | GLY93 |
| G | THR142 |
| G | ALA143 |
| G | SER144 |
| G | TYR157 |
| G | LYS161 |
| G | PRO187 |
| G | GLY188 |
| G | MET190 |
| G | HOH8296 |
| G | HOH8379 |
| G | HOH8388 |
| G | HOH8451 |
| site_id | BC4 |
| Number of Residues | 26 |
| Details | BINDING SITE FOR RESIDUE NAD H 9263 |
| Chain | Residue |
| H | GLY14 |
| H | GLY17 |
| H | ASN18 |
| H | ILE19 |
| H | ASP38 |
| H | MET39 |
| H | CYS63 |
| H | ASP64 |
| H | VAL65 |
| H | ASN91 |
| H | ALA92 |
| H | GLY93 |
| H | THR142 |
| H | ALA143 |
| H | SER144 |
| H | TYR157 |
| H | LYS161 |
| H | PRO187 |
| H | GLY188 |
| H | MET190 |
| H | HOH9267 |
| H | HOH9350 |
| H | HOH9352 |
| H | HOH9405 |
| H | HOH9443 |
| H | HOH9466 |
Functional Information from PROSITE/UniProt
| site_id | PS00061 |
| Number of Residues | 29 |
| Details | ADH_SHORT Short-chain dehydrogenases/reductases family signature. SmagvkgppnMaaYGTSKGAIiALTeTAA |
| Chain | Residue | Details |
| A | SER144-ALA172 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| A | LYS161 | |
| A | SER144 | |
| A | TYR157 |
| site_id | CSA10 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| B | LYS161 | |
| B | ASN116 | |
| B | SER144 | |
| B | TYR157 |
| site_id | CSA11 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| C | LYS161 | |
| C | ASN116 | |
| C | SER144 | |
| C | TYR157 |
| site_id | CSA12 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| D | LYS161 | |
| D | ASN116 | |
| D | SER144 | |
| D | TYR157 |
| site_id | CSA13 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| E | LYS161 | |
| E | ASN116 | |
| E | SER144 | |
| E | TYR157 |
| site_id | CSA14 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| F | LYS161 | |
| F | ASN116 | |
| F | SER144 | |
| F | TYR157 |
| site_id | CSA15 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| G | LYS161 | |
| G | ASN116 | |
| G | SER144 | |
| G | TYR157 |
| site_id | CSA16 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| H | LYS161 | |
| H | ASN116 | |
| H | SER144 | |
| H | TYR157 |
| site_id | CSA17 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| A | MET154 | |
| A | LYS161 |
| site_id | CSA18 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| B | MET154 | |
| B | LYS161 |
| site_id | CSA19 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| C | MET154 | |
| C | LYS161 |
| site_id | CSA2 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| B | LYS161 | |
| B | SER144 | |
| B | TYR157 |
| site_id | CSA20 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| D | MET154 | |
| D | LYS161 |
| site_id | CSA21 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| E | MET154 | |
| E | LYS161 |
| site_id | CSA22 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| F | MET154 | |
| F | LYS161 |
| site_id | CSA23 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| G | MET154 | |
| G | LYS161 |
| site_id | CSA24 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| H | MET154 | |
| H | LYS161 |
| site_id | CSA25 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| A | LYS161 | |
| A | TYR157 |
| site_id | CSA26 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| B | LYS161 | |
| B | TYR157 |
| site_id | CSA27 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| C | LYS161 | |
| C | TYR157 |
| site_id | CSA28 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| D | LYS161 | |
| D | TYR157 |
| site_id | CSA29 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| E | LYS161 | |
| E | TYR157 |
| site_id | CSA3 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| C | LYS161 | |
| C | SER144 | |
| C | TYR157 |
| site_id | CSA30 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| F | LYS161 | |
| F | TYR157 |
| site_id | CSA31 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| G | LYS161 | |
| G | TYR157 |
| site_id | CSA32 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| H | LYS161 | |
| H | TYR157 |
| site_id | CSA4 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| D | LYS161 | |
| D | SER144 | |
| D | TYR157 |
| site_id | CSA5 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| E | LYS161 | |
| E | SER144 | |
| E | TYR157 |
| site_id | CSA6 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| F | LYS161 | |
| F | SER144 | |
| F | TYR157 |
| site_id | CSA7 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| G | LYS161 | |
| G | SER144 | |
| G | TYR157 |
| site_id | CSA8 |
| Number of Residues | 3 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| H | LYS161 | |
| H | SER144 | |
| H | TYR157 |
| site_id | CSA9 |
| Number of Residues | 4 |
| Details | Annotated By Reference To The Literature 1eq2 |
| Chain | Residue | Details |
| A | LYS161 | |
| A | ASN116 | |
| A | SER144 | |
| A | TYR157 |
