1LLU
THE TERNARY COMPLEX OF PSEUDOMONAS AERUGINOSA ALCOHOL DEHYDROGENASE WITH ITS COENZYME AND WEAK SUBSTRATE
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| A | 0000166 | molecular_function | nucleotide binding |
| A | 0008270 | molecular_function | zinc ion 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 | 0008270 | molecular_function | zinc ion 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 | 0008270 | molecular_function | zinc ion 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 | 0008270 | molecular_function | zinc ion 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 |
| E | 0000166 | molecular_function | nucleotide binding |
| E | 0008270 | molecular_function | zinc ion binding |
| E | 0016491 | molecular_function | oxidoreductase activity |
| E | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| E | 0046872 | molecular_function | metal ion binding |
| F | 0000166 | molecular_function | nucleotide binding |
| F | 0008270 | molecular_function | zinc ion binding |
| F | 0016491 | molecular_function | oxidoreductase activity |
| F | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| F | 0046872 | molecular_function | metal ion binding |
| G | 0000166 | molecular_function | nucleotide binding |
| G | 0008270 | molecular_function | zinc ion binding |
| G | 0016491 | molecular_function | oxidoreductase activity |
| G | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| G | 0046872 | molecular_function | metal ion binding |
| H | 0000166 | molecular_function | nucleotide binding |
| H | 0008270 | molecular_function | zinc ion binding |
| H | 0016491 | molecular_function | oxidoreductase activity |
| H | 0016616 | molecular_function | oxidoreductase activity, acting on the CH-OH group of donors, NAD or NADP as acceptor |
| H | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
| site_id | AC1 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ZN A 343 |
| Chain | Residue |
| A | CYS44 |
| A | HIS67 |
| A | CYS154 |
| A | NAD1250 |
| A | EDO1260 |
| site_id | AC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN A 344 |
| Chain | Residue |
| A | CYS98 |
| A | CYS101 |
| A | CYS104 |
| A | CYS112 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN B 343 |
| Chain | Residue |
| B | CYS44 |
| B | HIS67 |
| B | CYS154 |
| B | EDO1262 |
| site_id | AC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ZN B 344 |
| Chain | Residue |
| B | CYS98 |
| B | GLY99 |
| B | CYS101 |
| B | CYS104 |
| B | CYS112 |
| site_id | AC5 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ZN C 343 |
| Chain | Residue |
| C | CYS44 |
| C | HIS67 |
| C | CYS154 |
| C | NAD1252 |
| C | EDO1263 |
| site_id | AC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN C 344 |
| Chain | Residue |
| C | CYS98 |
| C | CYS101 |
| C | CYS104 |
| C | CYS112 |
| site_id | AC7 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN D 343 |
| Chain | Residue |
| D | CYS44 |
| D | HIS67 |
| D | CYS154 |
| D | EDO1265 |
| site_id | AC8 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ZN D 344 |
| Chain | Residue |
| D | CYS98 |
| D | GLY99 |
| D | CYS101 |
| D | CYS104 |
| D | CYS112 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ZN E 343 |
| Chain | Residue |
| E | CYS44 |
| E | HIS67 |
| E | CYS154 |
| E | NAD1254 |
| E | EDO1266 |
| site_id | BC1 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN E 344 |
| Chain | Residue |
| E | CYS98 |
| E | CYS101 |
| E | CYS104 |
| E | CYS112 |
| site_id | BC2 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN F 343 |
| Chain | Residue |
| F | CYS44 |
| F | HIS67 |
| F | CYS154 |
| F | EDO1268 |
| site_id | BC3 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ZN F 344 |
| Chain | Residue |
| F | CYS98 |
| F | GLY99 |
| F | CYS101 |
| F | CYS104 |
| F | CYS112 |
| site_id | BC4 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ZN G 343 |
| Chain | Residue |
| G | CYS44 |
| G | HIS67 |
| G | CYS154 |
| G | NAD1256 |
| G | EDO1269 |
| site_id | BC5 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN G 344 |
| Chain | Residue |
| G | CYS98 |
| G | CYS101 |
| G | CYS104 |
| G | CYS112 |
| site_id | BC6 |
| Number of Residues | 4 |
| Details | BINDING SITE FOR RESIDUE ZN H 343 |
| Chain | Residue |
| H | CYS44 |
| H | HIS67 |
| H | CYS154 |
| H | EDO1271 |
| site_id | BC7 |
| Number of Residues | 5 |
| Details | BINDING SITE FOR RESIDUE ZN H 344 |
| Chain | Residue |
| H | CYS98 |
| H | GLY99 |
| H | CYS101 |
| H | CYS104 |
| H | CYS112 |
| site_id | BC8 |
| Number of Residues | 36 |
| Details | BINDING SITE FOR RESIDUE NAD A 1250 |
| Chain | Residue |
| A | HOH1264 |
| A | HOH1279 |
| A | HOH1345 |
| A | HOH1414 |
| B | VAL281 |
| G | HOH893 |
| G | HOH908 |
| G | HOH944 |
| G | HOH1015 |
| A | CYS44 |
| A | HIS45 |
| A | THR46 |
| A | HIS49 |
| A | TRP55 |
| A | THR158 |
| A | SER177 |
| A | GLY178 |
| A | ILE179 |
| A | GLY180 |
| A | GLY181 |
| A | LEU182 |
| A | ASP201 |
| A | ILE202 |
| A | LYS206 |
| A | THR243 |
| A | ALA244 |
| A | VAL245 |
| A | SER246 |
| A | VAL266 |
| A | LEU268 |
| A | SER290 |
| A | ILE291 |
| A | VAL292 |
| A | ARG337 |
| A | ZN343 |
| A | EDO1260 |
| site_id | BC9 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE EDO A 1260 |
| Chain | Residue |
| A | THR46 |
| A | TRP55 |
| A | HIS67 |
| A | TRP93 |
| A | CYS154 |
| A | LEU268 |
| A | VAL292 |
| A | ZN343 |
| A | NAD1250 |
| site_id | CC1 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO A 1261 |
| Chain | Residue |
| A | HIS45 |
| A | ASP54 |
| site_id | CC2 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NAD B 1251 |
| Chain | Residue |
| B | CYS44 |
| B | HIS45 |
| B | THR46 |
| B | HIS49 |
| B | THR158 |
| B | GLY178 |
| B | ILE179 |
| B | GLY180 |
| B | GLY181 |
| B | LEU182 |
| B | ASP201 |
| B | ILE202 |
| B | LYS206 |
| B | THR243 |
| B | ALA244 |
| B | VAL245 |
| B | SER246 |
| B | VAL266 |
| B | GLY267 |
| B | LEU268 |
| B | SER290 |
| B | ILE291 |
| B | VAL292 |
| B | ARG337 |
| B | EDO1262 |
| B | HOH1291 |
| B | HOH1317 |
| site_id | CC3 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO B 1262 |
| Chain | Residue |
| B | THR46 |
| B | TRP55 |
| B | HIS67 |
| B | TRP93 |
| B | CYS154 |
| B | VAL292 |
| B | ZN343 |
| B | NAD1251 |
| site_id | CC4 |
| Number of Residues | 36 |
| Details | BINDING SITE FOR RESIDUE NAD C 1252 |
| Chain | Residue |
| C | CYS44 |
| C | HIS45 |
| C | THR46 |
| C | HIS49 |
| C | TRP55 |
| C | THR158 |
| C | SER177 |
| C | GLY178 |
| C | ILE179 |
| C | GLY180 |
| C | GLY181 |
| C | LEU182 |
| C | ASP201 |
| C | ILE202 |
| C | LYS206 |
| C | THR243 |
| C | ALA244 |
| C | VAL245 |
| C | SER246 |
| C | VAL266 |
| C | LEU268 |
| C | SER290 |
| C | ILE291 |
| C | VAL292 |
| C | ARG337 |
| C | ZN343 |
| C | EDO1263 |
| C | HOH1273 |
| C | HOH1288 |
| C | HOH1354 |
| C | HOH1423 |
| D | VAL281 |
| E | HOH617 |
| E | HOH632 |
| E | HOH668 |
| E | HOH739 |
| site_id | CC5 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE EDO C 1263 |
| Chain | Residue |
| C | THR46 |
| C | TRP55 |
| C | HIS67 |
| C | TRP93 |
| C | CYS154 |
| C | LEU268 |
| C | VAL292 |
| C | ZN343 |
| C | NAD1252 |
| site_id | CC6 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO C 1264 |
| Chain | Residue |
| C | HIS45 |
| C | ASP54 |
| site_id | CC7 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NAD D 1253 |
| Chain | Residue |
| D | CYS44 |
| D | HIS45 |
| D | THR46 |
| D | HIS49 |
| D | THR158 |
| D | GLY178 |
| D | ILE179 |
| D | GLY180 |
| D | GLY181 |
| D | LEU182 |
| D | ASP201 |
| D | ILE202 |
| D | LYS206 |
| D | THR243 |
| D | ALA244 |
| D | VAL245 |
| D | SER246 |
| D | VAL266 |
| D | GLY267 |
| D | LEU268 |
| D | SER290 |
| D | ILE291 |
| D | VAL292 |
| D | ARG337 |
| D | EDO1265 |
| D | HOH1298 |
| D | HOH1324 |
| site_id | CC8 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO D 1265 |
| Chain | Residue |
| D | THR46 |
| D | TRP55 |
| D | HIS67 |
| D | TRP93 |
| D | CYS154 |
| D | VAL292 |
| D | ZN343 |
| D | NAD1253 |
| site_id | CC9 |
| Number of Residues | 34 |
| Details | BINDING SITE FOR RESIDUE NAD E 1254 |
| Chain | Residue |
| C | HOH1281 |
| C | HOH1292 |
| E | CYS44 |
| E | HIS45 |
| E | THR46 |
| E | HIS49 |
| E | TRP55 |
| E | THR158 |
| E | SER177 |
| E | GLY178 |
| E | ILE179 |
| E | GLY180 |
| E | GLY181 |
| E | LEU182 |
| E | ASP201 |
| E | ILE202 |
| E | LYS206 |
| E | THR243 |
| E | ALA244 |
| E | VAL245 |
| E | SER246 |
| E | VAL266 |
| E | LEU268 |
| E | SER290 |
| E | ILE291 |
| E | VAL292 |
| E | ARG337 |
| E | ZN343 |
| E | HOH603 |
| E | HOH626 |
| E | HOH729 |
| E | HOH848 |
| E | EDO1266 |
| F | VAL281 |
| site_id | DC1 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE EDO E 1266 |
| Chain | Residue |
| E | THR46 |
| E | TRP55 |
| E | HIS67 |
| E | TRP93 |
| E | CYS154 |
| E | LEU268 |
| E | VAL292 |
| E | ZN343 |
| E | NAD1254 |
| site_id | DC2 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO E 1267 |
| Chain | Residue |
| E | HIS45 |
| E | ASP54 |
| site_id | DC3 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NAD F 1255 |
| Chain | Residue |
| F | CYS44 |
| F | HIS45 |
| F | THR46 |
| F | HIS49 |
| F | THR158 |
| F | GLY178 |
| F | ILE179 |
| F | GLY180 |
| F | GLY181 |
| F | LEU182 |
| F | ASP201 |
| F | ILE202 |
| F | LYS206 |
| F | THR243 |
| F | ALA244 |
| F | VAL245 |
| F | SER246 |
| F | VAL266 |
| F | GLY267 |
| F | LEU268 |
| F | SER290 |
| F | ILE291 |
| F | VAL292 |
| F | ARG337 |
| F | HOH712 |
| F | HOH788 |
| F | EDO1268 |
| site_id | DC4 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO F 1268 |
| Chain | Residue |
| F | THR46 |
| F | TRP55 |
| F | HIS67 |
| F | TRP93 |
| F | CYS154 |
| F | VAL292 |
| F | ZN343 |
| F | NAD1255 |
| site_id | DC5 |
| Number of Residues | 36 |
| Details | BINDING SITE FOR RESIDUE NAD G 1256 |
| Chain | Residue |
| A | HOH1272 |
| A | HOH1283 |
| A | HOH1309 |
| A | HOH1350 |
| G | CYS44 |
| G | HIS45 |
| G | THR46 |
| G | HIS49 |
| G | TRP55 |
| G | THR158 |
| G | SER177 |
| G | GLY178 |
| G | ILE179 |
| G | GLY180 |
| G | GLY181 |
| G | LEU182 |
| G | ASP201 |
| G | ILE202 |
| G | LYS206 |
| G | THR243 |
| G | ALA244 |
| G | VAL245 |
| G | SER246 |
| G | VAL266 |
| G | LEU268 |
| G | SER290 |
| G | ILE291 |
| G | VAL292 |
| G | ARG337 |
| G | ZN343 |
| G | HOH879 |
| G | HOH902 |
| G | HOH1005 |
| G | HOH1124 |
| G | EDO1269 |
| H | VAL281 |
| site_id | DC6 |
| Number of Residues | 9 |
| Details | BINDING SITE FOR RESIDUE EDO G 1269 |
| Chain | Residue |
| G | THR46 |
| G | TRP55 |
| G | HIS67 |
| G | TRP93 |
| G | CYS154 |
| G | LEU268 |
| G | VAL292 |
| G | ZN343 |
| G | NAD1256 |
| site_id | DC7 |
| Number of Residues | 2 |
| Details | BINDING SITE FOR RESIDUE EDO G 1270 |
| Chain | Residue |
| G | HIS45 |
| G | ASP54 |
| site_id | DC8 |
| Number of Residues | 27 |
| Details | BINDING SITE FOR RESIDUE NAD H 1258 |
| Chain | Residue |
| H | CYS44 |
| H | HIS45 |
| H | THR46 |
| H | HIS49 |
| H | THR158 |
| H | GLY178 |
| H | ILE179 |
| H | GLY180 |
| H | GLY181 |
| H | LEU182 |
| H | ASP201 |
| H | ILE202 |
| H | LYS206 |
| H | THR243 |
| H | ALA244 |
| H | VAL245 |
| H | SER246 |
| H | VAL266 |
| H | GLY267 |
| H | LEU268 |
| H | SER290 |
| H | ILE291 |
| H | VAL292 |
| H | ARG337 |
| H | HOH988 |
| H | HOH1064 |
| H | EDO1271 |
| site_id | DC9 |
| Number of Residues | 8 |
| Details | BINDING SITE FOR RESIDUE EDO H 1271 |
| Chain | Residue |
| H | THR46 |
| H | TRP55 |
| H | HIS67 |
| H | TRP93 |
| H | CYS154 |
| H | VAL292 |
| H | ZN343 |
| H | NAD1258 |
Functional Information from PROSITE/UniProt
| site_id | PS00059 |
| Number of Residues | 15 |
| Details | ADH_ZINC Zinc-containing alcohol dehydrogenases signature. GHEgVGYvaavGsgV |
| Chain | Residue | Details |
| A | GLY66-VAL80 |
Catalytic Information from CSA
| site_id | CSA1 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| A | THR46 | |
| A | HIS45 |
| site_id | CSA10 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| B | TRP55 |
| site_id | CSA11 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| C | TRP55 |
| site_id | CSA12 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| D | TRP55 |
| site_id | CSA13 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| E | TRP55 |
| site_id | CSA14 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| F | TRP55 |
| site_id | CSA15 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| G | TRP55 |
| site_id | CSA16 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| H | TRP55 |
| site_id | CSA17 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| A | THR46 | |
| A | HIS49 |
| site_id | CSA18 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| B | THR46 | |
| B | HIS49 |
| site_id | CSA19 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| C | THR46 | |
| C | HIS49 |
| site_id | CSA2 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| B | THR46 | |
| B | HIS45 |
| site_id | CSA20 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| D | THR46 | |
| D | HIS49 |
| site_id | CSA21 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| E | THR46 | |
| E | HIS49 |
| site_id | CSA22 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| F | THR46 | |
| F | HIS49 |
| site_id | CSA23 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| G | THR46 | |
| G | HIS49 |
| site_id | CSA24 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| H | THR46 | |
| H | HIS49 |
| site_id | CSA3 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| C | THR46 | |
| C | HIS45 |
| site_id | CSA4 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| D | THR46 | |
| D | HIS45 |
| site_id | CSA5 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| E | THR46 | |
| E | HIS45 |
| site_id | CSA6 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| F | THR46 | |
| F | HIS45 |
| site_id | CSA7 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| G | THR46 | |
| G | HIS45 |
| site_id | CSA8 |
| Number of Residues | 2 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| H | THR46 | |
| H | HIS45 |
| site_id | CSA9 |
| Number of Residues | 1 |
| Details | Annotated By Reference To The Literature 1teh |
| Chain | Residue | Details |
| A | TRP55 |
