Functional Information from GO Data
Chain | GOid | namespace | contents |
A | 0008802 | molecular_function | betaine-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 |
A | 0019285 | biological_process | glycine betaine biosynthetic process from choline |
A | 0046872 | molecular_function | metal ion binding |
B | 0008802 | molecular_function | betaine-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 |
B | 0019285 | biological_process | glycine betaine biosynthetic process from choline |
B | 0046872 | molecular_function | metal ion binding |
Functional Information from PDB Data
site_id | AC1 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE EDO A 1491 |
Chain | Residue |
A | ARG70 |
A | ARG74 |
A | ASP77 |
site_id | AC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO A 1492 |
Chain | Residue |
A | PHE331 |
A | ARG357 |
A | EDO1494 |
B | ASP264 |
B | ALA265 |
B | EDO1494 |
site_id | AC3 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE EDO B 1491 |
Chain | Residue |
B | ARG14 |
B | VAL16 |
B | GLU17 |
B | ARG48 |
site_id | AC4 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO B 1492 |
Chain | Residue |
B | GLU446 |
B | PRO448 |
B | EDO1495 |
B | PE41505 |
B | GOL1512 |
B | HOH2065 |
site_id | AC5 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE EDO B 1493 |
Chain | Residue |
B | ARG140 |
B | ALA169 |
B | HOH2042 |
site_id | AC6 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE EDO A 1493 |
Chain | Residue |
A | MET276 |
A | GLY445 |
A | PE41511 |
A | HOH2191 |
site_id | AC7 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO A 1494 |
Chain | Residue |
A | PHE331 |
A | PRO332 |
A | GLU335 |
A | EDO1492 |
B | SER297 |
B | ARG301 |
site_id | AC8 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO B 1494 |
Chain | Residue |
A | EDO1492 |
B | ASP266 |
B | LEU267 |
B | ASP268 |
B | ARG301 |
B | LYS305 |
site_id | AC9 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO B 1495 |
Chain | Residue |
B | THR108 |
B | SER447 |
B | EDO1492 |
B | PE41505 |
B | K1508 |
B | GOL1511 |
site_id | BC1 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO A 1495 |
Chain | Residue |
A | ILE123 |
A | ARG140 |
A | PRO142 |
A | ALA169 |
A | HOH2112 |
site_id | BC2 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE EDO A 1496 |
Chain | Residue |
A | ASP360 |
A | GLY361 |
A | ALA362 |
site_id | BC3 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE EDO B 1496 |
site_id | BC4 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE EDO B 1497 |
Chain | Residue |
B | ARG131 |
B | THR133 |
B | GLU482 |
B | ASP485 |
site_id | BC5 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE EDO B 1498 |
Chain | Residue |
B | ALA300 |
B | GLU303 |
site_id | BC6 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE EDO A 1497 |
Chain | Residue |
A | ARG43 |
A | TRP215 |
A | HOH2051 |
site_id | BC7 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE EDO A 1498 |
Chain | Residue |
A | GLU126 |
A | HOH2114 |
site_id | BC8 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE EDO A 1499 |
Chain | Residue |
A | ASP423 |
A | ARG426 |
site_id | BC9 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE EDO B 1499 |
Chain | Residue |
B | ASN409 |
B | ARG433 |
site_id | CC1 |
Number of Residues | 1 |
Details | BINDING SITE FOR RESIDUE EDO A 1527 |
site_id | CC2 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE EDO A 1501 |
Chain | Residue |
A | GLU303 |
A | ARG350 |
A | EDO1527 |
site_id | CC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO B 1500 |
Chain | Residue |
B | TYR413 |
B | GLN458 |
B | HOH2115 |
B | HOH2163 |
B | HOH2198 |
site_id | CC4 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE EDO B 1501 |
Chain | Residue |
B | PHE262 |
B | GLU401 |
B | ASP402 |
B | ARG433 |
site_id | CC5 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE EDO A 1502 |
Chain | Residue |
A | ARG301 |
A | ASP317 |
A | ASP320 |
site_id | CC6 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE EDO A 1503 |
Chain | Residue |
A | ASN31 |
A | ASP317 |
A | EDO1504 |
A | GOL1524 |
site_id | CC7 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE EDO A 1504 |
Chain | Residue |
A | ALA265 |
A | LEU267 |
A | ARG301 |
A | ASP317 |
A | GLN319 |
A | EDO1503 |
site_id | CC8 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE EDO B 1502 |
Chain | Residue |
B | ASP266 |
B | HOH2135 |
site_id | CC9 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE EDO A 1505 |
Chain | Residue |
A | GLY462 |
A | ARG463 |
A | ARG475 |
A | HOH2276 |
A | HOH2278 |
A | GLU248 |
A | GLY455 |
site_id | DC1 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE EDO A 1506 |
Chain | Residue |
A | ALA65 |
A | VAL120 |
A | PRO121 |
A | ILE123 |
A | GOL1522 |
B | PRO129 |
B | GLU450 |
site_id | DC2 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE EDO A 1507 |
Chain | Residue |
A | ARG139 |
A | HIS432 |
A | GOL1522 |
A | HOH2257 |
A | HOH2291 |
B | PRO129 |
B | HOH2077 |
site_id | DC3 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE EDO A 1508 |
Chain | Residue |
A | ASP379 |
A | ASP380 |
A | ARG385 |
A | ASP410 |
site_id | DC4 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE EDO A 1509 |
Chain | Residue |
A | GLU401 |
A | ILE405 |
A | ARG426 |
A | ARG433 |
site_id | DC5 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE EDO A 1510 |
Chain | Residue |
A | ALA265 |
A | ASP266 |
A | THR421 |
A | GLN422 |
A | ASN442 |
site_id | DC6 |
Number of Residues | 3 |
Details | BINDING SITE FOR RESIDUE EDO B 1504 |
Chain | Residue |
B | GLU252 |
B | GOL1511 |
B | TXE1514 |
site_id | DC7 |
Number of Residues | 8 |
Details | BINDING SITE FOR RESIDUE PE4 B 1505 |
Chain | Residue |
B | SER103 |
B | MET276 |
B | TRP444 |
B | GLU446 |
B | VAL489 |
B | EDO1492 |
B | EDO1495 |
B | K1508 |
site_id | DC8 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE PE4 A 1511 |
Chain | Residue |
A | VAL104 |
A | GLU446 |
A | EDO1493 |
A | K1514 |
site_id | DC9 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE K A 1512 |
Chain | Residue |
A | THR26 |
A | ILE27 |
A | ASP93 |
A | VAL180 |
A | HOH2039 |
site_id | EC1 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE K B 1506 |
Chain | Residue |
B | THR26 |
B | ILE27 |
B | ASP93 |
B | VAL180 |
B | HOH2018 |
site_id | EC2 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE K A 1513 |
Chain | Residue |
A | GLU223 |
A | LEU246 |
A | GLU248 |
A | LYS457 |
A | GLY460 |
site_id | EC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE K B 1507 |
Chain | Residue |
B | GLU223 |
B | LEU246 |
B | GLU248 |
B | LYS457 |
B | GLY460 |
site_id | EC4 |
Number of Residues | 1 |
Details | BINDING SITE FOR RESIDUE K A 1514 |
site_id | EC5 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE K B 1508 |
Chain | Residue |
B | EDO1495 |
B | PE41505 |
site_id | EC6 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GOL A 1516 |
Chain | Residue |
A | LEU315 |
A | ASP317 |
A | ASP320 |
A | ASN322 |
A | THR323 |
A | HOH2205 |
site_id | EC7 |
Number of Residues | 2 |
Details | BINDING SITE FOR RESIDUE GOL A 1517 |
Chain | Residue |
A | ARG378 |
A | ASP380 |
site_id | EC8 |
Number of Residues | 1 |
Details | BINDING SITE FOR RESIDUE GOL B 1509 |
site_id | EC9 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE GOL B 1510 |
Chain | Residue |
B | GLU5 |
B | GLU6 |
B | GLN7 |
B | LYS8 |
B | TYR15 |
site_id | FC1 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE GOL A 1518 |
Chain | Residue |
A | GLU5 |
A | GLU6 |
A | GLN7 |
A | LYS8 |
A | TYR15 |
A | GOL1519 |
A | HOH2143 |
site_id | FC2 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE GOL A 1519 |
Chain | Residue |
A | PHE4 |
A | GLN7 |
A | LYS187 |
A | GOL1518 |
A | HOH2012 |
site_id | FC3 |
Number of Residues | 5 |
Details | BINDING SITE FOR RESIDUE GOL A 1520 |
Chain | Residue |
A | ARG139 |
A | GLU141 |
A | HIS432 |
A | LEU434 |
A | LYS477 |
site_id | FC4 |
Number of Residues | 1 |
Details | BINDING SITE FOR RESIDUE GOL A 1521 |
site_id | FC5 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE GOL A 1522 |
Chain | Residue |
A | ALA61 |
A | MET63 |
A | ALA65 |
A | ARG68 |
A | EDO1506 |
A | EDO1507 |
B | ARG131 |
site_id | FC6 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE GOL B 1511 |
Chain | Residue |
B | GLN157 |
B | EDO1495 |
B | EDO1504 |
B | HOH2090 |
site_id | FC7 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE GOL A 1523 |
Chain | Residue |
A | TRP161 |
A | GLU252 |
A | LEU415 |
A | GLU464 |
A | GOL1525 |
A | TXE1526 |
A | HOH2266 |
site_id | FC8 |
Number of Residues | 7 |
Details | BINDING SITE FOR RESIDUE GOL B 1512 |
Chain | Residue |
A | HOH2071 |
B | ASP111 |
B | PRO448 |
B | ALA449 |
B | GLU450 |
B | EDO1492 |
B | HOH2065 |
site_id | FC9 |
Number of Residues | 4 |
Details | BINDING SITE FOR RESIDUE GOL B 1513 |
Chain | Residue |
B | ALA30 |
B | ASP317 |
B | PHE363 |
B | TYR368 |
site_id | GC1 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GOL A 1524 |
Chain | Residue |
A | ALA30 |
A | ASP317 |
A | ALA362 |
A | PHE363 |
A | TYR368 |
A | EDO1503 |
site_id | GC2 |
Number of Residues | 6 |
Details | BINDING SITE FOR RESIDUE GOL A 1525 |
Chain | Residue |
A | TYR154 |
A | GLN157 |
A | TRP161 |
A | GOL1523 |
A | HOH2134 |
A | HOH2294 |
site_id | GC3 |
Number of Residues | 28 |
Details | BINDING SITE FOR RESIDUE TXE A 1526 |
Chain | Residue |
A | ILE149 |
A | GLY150 |
A | ALA151 |
A | TRP152 |
A | ASN153 |
A | LYS176 |
A | SER178 |
A | GLU179 |
A | GLY209 |
A | GLY213 |
A | GLN214 |
A | PHE227 |
A | THR228 |
A | GLY229 |
A | GLY230 |
A | THR233 |
A | VAL237 |
A | GLU252 |
A | LEU253 |
A | GLY254 |
A | CYS286 |
A | GLU387 |
A | PHE389 |
A | GOL1523 |
A | HOH2134 |
A | HOH2140 |
A | HOH2157 |
A | HOH2295 |
site_id | GC4 |
Number of Residues | 25 |
Details | BINDING SITE FOR RESIDUE TXE B 1514 |
Chain | Residue |
B | ILE149 |
B | GLY150 |
B | ALA151 |
B | TRP152 |
B | ASN153 |
B | LYS176 |
B | SER178 |
B | GLU179 |
B | GLY209 |
B | GLY213 |
B | GLN214 |
B | PHE227 |
B | THR228 |
B | GLY229 |
B | GLY230 |
B | THR233 |
B | VAL237 |
B | GLU252 |
B | LEU253 |
B | GLY254 |
B | CYS286 |
B | GLU387 |
B | PHE389 |
B | EDO1504 |
B | HOH2095 |
Functional Information from PROSITE/UniProt
site_id | PS00070 |
Number of Residues | 12 |
Details | ALDEHYDE_DEHYDR_CYS Aldehyde dehydrogenases cysteine active site. FfSSGQVCTNGT |
Chain | Residue | Details |
A | PHE279-THR290 | |
site_id | PS00687 |
Number of Residues | 8 |
Details | ALDEHYDE_DEHYDR_GLU Aldehyde dehydrogenases glutamic acid active site. MELGGKSP |
Chain | Residue | Details |
A | MET251-PRO258 | |
Functional Information from SwissProt/UniProt
Chain | Residue | Details |
A | LYS162 | |
A | GLU464 | |
B | LYS162 | |
B | GLU464 | |
Chain | Residue | Details |
A | GLU252 | |
B | GLU252 | |
Chain | Residue | Details |
A | CYS286 | |
B | CYS286 | |
site_id | SWS_FT_FI4 |
Number of Residues | 14 |
Details | BINDING: |
Chain | Residue | Details |
A | THR26 | |
B | ASP93 | |
B | VAL180 | |
B | LEU246 | |
B | LYS457 | |
B | GLY460 | |
A | ILE27 | |
A | ASP93 | |
A | VAL180 | |
A | LEU246 | |
A | LYS457 | |
A | GLY460 | |
B | THR26 | |
B | ILE27 | |
Chain | Residue | Details |
A | GLY150 | |
B | GLU387 | |
A | LYS176 | |
A | GLY209 | |
A | GLY230 | |
A | GLU387 | |
B | GLY150 | |
B | LYS176 | |
B | GLY209 | |
B | GLY230 | |
Chain | Residue | Details |
A | CYS286 | |
B | CYS286 | |
site_id | SWS_FT_FI7 |
Number of Residues | 2 |
Details | SITE: Seems to be a necessary countercharge to the potassium cations |
Chain | Residue | Details |
A | GLU248 | |
B | GLU248 | |
Chain | Residue | Details |
A | CYS286 | |
B | CYS286 | |