5J78
Crystal structure of an Acetylating Aldehyde Dehydrogenase from Geobacillus thermoglucosidasius
Functional Information from GO Data
| Chain | GOid | namespace | contents |
| 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 | 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 | 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 |
| D | 0016491 | molecular_function | oxidoreductase activity |
| D | 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 | 9 |
| Details | binding site for residue ACT A 1001 |
| Chain | Residue |
| A | ILE272 |
| A | CSD273 |
| A | ALA274 |
| A | HIS394 |
| A | LEU439 |
| A | LEU441 |
| A | HOH1103 |
| A | HOH1181 |
| A | HOH1199 |
| site_id | AC2 |
| Number of Residues | 9 |
| Details | binding site for residue GOL A 1002 |
| Chain | Residue |
| A | PRO139 |
| A | GLY221 |
| A | GLY222 |
| A | CSD273 |
| A | LEU364 |
| A | GOL1003 |
| A | HOH1105 |
| A | HOH1120 |
| A | HOH1236 |
| site_id | AC3 |
| Number of Residues | 4 |
| Details | binding site for residue GOL A 1003 |
| Chain | Residue |
| A | SER140 |
| A | HIS166 |
| A | GOL1002 |
| A | HOH1217 |
| site_id | AC4 |
| Number of Residues | 4 |
| Details | binding site for residue MG A 1004 |
| Chain | Residue |
| A | ASP215 |
| A | HOH1177 |
| A | HOH1204 |
| A | HOH1225 |
| site_id | AC5 |
| Number of Residues | 8 |
| Details | binding site for residue ACT A 1005 |
| Chain | Residue |
| A | LYS92 |
| A | LYS95 |
| A | ASN96 |
| A | THR141 |
| A | ASN142 |
| A | PRO143 |
| A | THR144 |
| A | SER145 |
| site_id | AC6 |
| Number of Residues | 8 |
| Details | binding site for residue GOL A 1006 |
| Chain | Residue |
| A | GLU51 |
| A | GLY114 |
| A | ILE127 |
| A | ALA128 |
| A | GLN129 |
| A | ARG158 |
| A | HOH1113 |
| B | ILE411 |
| site_id | AC7 |
| Number of Residues | 5 |
| Details | binding site for residue GOL A 1007 |
| Chain | Residue |
| A | ASP102 |
| A | ALA431 |
| A | GOL1008 |
| B | ARG471 |
| B | GLU472 |
| site_id | AC8 |
| Number of Residues | 7 |
| Details | binding site for residue GOL A 1008 |
| Chain | Residue |
| A | LEU97 |
| A | PHE98 |
| A | ASN101 |
| A | ASP102 |
| A | GOL1007 |
| A | HOH1169 |
| B | MET473 |
| site_id | AC9 |
| Number of Residues | 5 |
| Details | binding site for residue GOL A 1009 |
| Chain | Residue |
| A | GLN47 |
| A | LYS48 |
| A | GLU51 |
| A | GLN129 |
| A | HOH1129 |
| site_id | AD1 |
| Number of Residues | 8 |
| Details | binding site for residue GOL A 1010 |
| Chain | Residue |
| A | TYR237 |
| A | ILE450 |
| A | THR451 |
| A | ASP453 |
| A | HIS459 |
| A | HOH1227 |
| B | TYR237 |
| B | ILE450 |
| site_id | AD2 |
| Number of Residues | 6 |
| Details | binding site for residue GOL A 1011 |
| Chain | Residue |
| A | GLU120 |
| A | ARG123 |
| A | TRP125 |
| B | GLU403 |
| D | GLU120 |
| D | GOL1008 |
| site_id | AD3 |
| Number of Residues | 9 |
| Details | binding site for residue ACT B 1001 |
| Chain | Residue |
| B | ILE272 |
| B | CSD273 |
| B | ALA274 |
| B | HIS394 |
| B | LEU439 |
| B | LEU441 |
| B | HOH1110 |
| B | HOH1172 |
| B | HOH1266 |
| site_id | AD4 |
| Number of Residues | 9 |
| Details | binding site for residue GOL B 1002 |
| Chain | Residue |
| B | THR141 |
| B | GLY221 |
| B | GLY222 |
| B | CSD273 |
| B | GOL1003 |
| B | HOH1144 |
| B | HOH1165 |
| B | HOH1202 |
| B | HOH1220 |
| site_id | AD5 |
| Number of Residues | 4 |
| Details | binding site for residue GOL B 1003 |
| Chain | Residue |
| B | PHE86 |
| B | SER140 |
| B | GOL1002 |
| B | HOH1112 |
| site_id | AD6 |
| Number of Residues | 5 |
| Details | binding site for residue MG B 1004 |
| Chain | Residue |
| B | HOH1264 |
| B | ASP215 |
| B | HOH1148 |
| B | HOH1183 |
| B | HOH1200 |
| site_id | AD7 |
| Number of Residues | 8 |
| Details | binding site for residue ACT B 1005 |
| Chain | Residue |
| B | ALA80 |
| B | LYS92 |
| B | LYS95 |
| B | THR141 |
| B | ASN142 |
| B | PRO143 |
| B | THR144 |
| B | SER145 |
| site_id | AD8 |
| Number of Residues | 8 |
| Details | binding site for residue GOL B 1006 |
| Chain | Residue |
| A | ILE411 |
| B | GLU51 |
| B | GLY114 |
| B | ALA128 |
| B | GLN129 |
| B | ARG158 |
| B | LYS464 |
| B | HOH1109 |
| site_id | AD9 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 1007 |
| Chain | Residue |
| A | GLU472 |
| A | PRO474 |
| B | ASP102 |
| B | ALA431 |
| B | GOL1008 |
| B | HOH1267 |
| site_id | AE1 |
| Number of Residues | 6 |
| Details | binding site for residue GOL B 1008 |
| Chain | Residue |
| A | MET473 |
| B | PHE98 |
| B | ASN101 |
| B | ASP102 |
| B | GOL1007 |
| B | HOH1170 |
| site_id | AE2 |
| Number of Residues | 5 |
| Details | binding site for residue GOL B 1009 |
| Chain | Residue |
| B | LYS48 |
| B | GLU51 |
| B | GLN129 |
| B | GLY132 |
| B | HOH1327 |
| site_id | AE3 |
| Number of Residues | 10 |
| Details | binding site for residue GOL B 1010 |
| Chain | Residue |
| B | ARG70 |
| B | GLU71 |
| B | GLU72 |
| B | ALA73 |
| B | GLY74 |
| B | HOH1101 |
| B | HOH1105 |
| B | HOH1111 |
| B | HOH1151 |
| D | VAL89 |
| site_id | AE4 |
| Number of Residues | 4 |
| Details | binding site for residue GOL B 1011 |
| Chain | Residue |
| B | LYS286 |
| B | LYS294 |
| B | PHE300 |
| B | GLU349 |
| site_id | AE5 |
| Number of Residues | 3 |
| Details | binding site for residue GOL B 1012 |
| Chain | Residue |
| B | ARG37 |
| B | GLU207 |
| D | GOL1009 |
| site_id | AE6 |
| Number of Residues | 8 |
| Details | binding site for residue ACT C 1001 |
| Chain | Residue |
| C | ILE272 |
| C | CSD273 |
| C | ALA274 |
| C | HIS394 |
| C | LEU439 |
| C | LEU441 |
| C | HOH1116 |
| C | HOH1275 |
| site_id | AE7 |
| Number of Residues | 6 |
| Details | binding site for residue GOL C 1002 |
| Chain | Residue |
| C | PRO139 |
| C | GLY221 |
| C | CSD273 |
| C | LEU364 |
| C | HOH1104 |
| C | HOH1138 |
| site_id | AE8 |
| Number of Residues | 1 |
| Details | binding site for residue GOL C 1003 |
| Chain | Residue |
| C | SER140 |
| site_id | AE9 |
| Number of Residues | 5 |
| Details | binding site for residue MG C 1004 |
| Chain | Residue |
| C | ASP215 |
| C | HOH1110 |
| C | HOH1136 |
| C | HOH1207 |
| C | HOH1217 |
| site_id | AF1 |
| Number of Residues | 8 |
| Details | binding site for residue ACT C 1005 |
| Chain | Residue |
| C | LYS92 |
| C | LYS95 |
| C | ASN96 |
| C | THR141 |
| C | ASN142 |
| C | PRO143 |
| C | THR144 |
| C | SER145 |
| site_id | AF2 |
| Number of Residues | 8 |
| Details | binding site for residue GOL C 1006 |
| Chain | Residue |
| C | GLU51 |
| C | GLY114 |
| C | ALA128 |
| C | GLN129 |
| C | ARG158 |
| C | LYS464 |
| D | ILE411 |
| D | ASP412 |
| site_id | AF3 |
| Number of Residues | 5 |
| Details | binding site for residue GOL C 1007 |
| Chain | Residue |
| C | ASP102 |
| C | ALA431 |
| C | GOL1008 |
| D | GLU472 |
| D | PRO474 |
| site_id | AF4 |
| Number of Residues | 6 |
| Details | binding site for residue GOL C 1008 |
| Chain | Residue |
| C | LEU97 |
| C | PHE98 |
| C | ASN101 |
| C | ASP102 |
| C | GOL1007 |
| D | MET473 |
| site_id | AF5 |
| Number of Residues | 6 |
| Details | binding site for residue GOL C 1009 |
| Chain | Residue |
| C | ASN101 |
| C | ASP102 |
| C | ASN105 |
| C | HOH1178 |
| C | HOH1238 |
| D | ARG471 |
| site_id | AF6 |
| Number of Residues | 5 |
| Details | binding site for residue GOL C 1010 |
| Chain | Residue |
| C | ARG471 |
| C | PRO474 |
| D | ASP102 |
| D | ALA431 |
| D | GOL1005 |
| site_id | AF7 |
| Number of Residues | 7 |
| Details | binding site for residue GOL C 1011 |
| Chain | Residue |
| C | GLN47 |
| C | GLU51 |
| C | GLN129 |
| C | PRO130 |
| C | HOH1110 |
| C | HOH1118 |
| C | HOH1131 |
| site_id | AF8 |
| Number of Residues | 3 |
| Details | binding site for residue GOL C 1012 |
| Chain | Residue |
| C | GLU120 |
| C | ARG123 |
| D | GLU403 |
| site_id | AF9 |
| Number of Residues | 6 |
| Details | binding site for residue GOL C 1013 |
| Chain | Residue |
| C | ILE450 |
| C | THR451 |
| C | ASP453 |
| C | HIS459 |
| C | HOH1247 |
| D | TYR237 |
| site_id | AG1 |
| Number of Residues | 4 |
| Details | binding site for residue GOL C 1014 |
| Chain | Residue |
| A | ASP29 |
| C | ARG37 |
| C | GLU207 |
| C | HOH1133 |
| site_id | AG2 |
| Number of Residues | 8 |
| Details | binding site for residue ACT D 1001 |
| Chain | Residue |
| D | ILE272 |
| D | CSD273 |
| D | ALA274 |
| D | HIS394 |
| D | LEU439 |
| D | LEU441 |
| D | HOH1108 |
| D | HOH1116 |
| site_id | AG3 |
| Number of Residues | 5 |
| Details | binding site for residue MG D 1002 |
| Chain | Residue |
| D | ASP215 |
| D | HOH1122 |
| D | HOH1129 |
| D | HOH1201 |
| D | HOH1208 |
| site_id | AG4 |
| Number of Residues | 8 |
| Details | binding site for residue ACT D 1003 |
| Chain | Residue |
| D | LYS92 |
| D | LYS95 |
| D | ASN96 |
| D | THR141 |
| D | ASN142 |
| D | PRO143 |
| D | THR144 |
| D | SER145 |
| site_id | AG5 |
| Number of Residues | 8 |
| Details | binding site for residue GOL D 1004 |
| Chain | Residue |
| C | ILE411 |
| D | GLU51 |
| D | GLY114 |
| D | ILE127 |
| D | ALA128 |
| D | GLN129 |
| D | ARG158 |
| D | LYS464 |
| site_id | AG6 |
| Number of Residues | 7 |
| Details | binding site for residue GOL D 1005 |
| Chain | Residue |
| C | MET473 |
| C | GOL1010 |
| D | LEU94 |
| D | LEU97 |
| D | PHE98 |
| D | ASN101 |
| D | ASP102 |
| site_id | AG7 |
| Number of Residues | 9 |
| Details | binding site for residue GOL D 1006 |
| Chain | Residue |
| D | GLN47 |
| D | GLU51 |
| D | GLN129 |
| D | GLY132 |
| D | ASP215 |
| D | HOH1122 |
| D | HOH1153 |
| D | HOH1208 |
| D | HOH1216 |
| site_id | AG8 |
| Number of Residues | 3 |
| Details | binding site for residue GOL D 1007 |
| Chain | Residue |
| D | LYS294 |
| D | GLU349 |
| D | HOH1107 |
| site_id | AG9 |
| Number of Residues | 8 |
| Details | binding site for residue GOL D 1008 |
| Chain | Residue |
| A | GOL1011 |
| B | GLU403 |
| C | GLU403 |
| D | GLU120 |
| D | ARG123 |
| D | TRP125 |
| D | PHE468 |
| D | GOL1010 |
| site_id | AH1 |
| Number of Residues | 5 |
| Details | binding site for residue GOL D 1009 |
| Chain | Residue |
| B | GOL1012 |
| B | HOH1149 |
| D | ARG37 |
| D | GLU207 |
| D | HOH1169 |
| site_id | AH2 |
| Number of Residues | 9 |
| Details | binding site for residue GOL D 1010 |
| Chain | Residue |
| B | GLU401 |
| B | ASP402 |
| B | GLU403 |
| B | LYS404 |
| C | GLU407 |
| D | ARG118 |
| D | GLU120 |
| D | TRP125 |
| D | GOL1008 |
