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
| site_id | SWS_FT_FI1 |
| Number of Residues | 4 |
| Details | Active site: {"description":"Charge relay system","evidences":[{"source":"HAMAP-Rule","id":"MF_00804","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"19013472","evidenceCode":"ECO:0000269"}]} |
| site_id | SWS_FT_FI2 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Proton acceptor","evidences":[{"source":"HAMAP-Rule","id":"MF_00804","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"19013472","evidenceCode":"ECO:0000269"}]} |
| site_id | SWS_FT_FI3 |
| Number of Residues | 2 |
| Details | Active site: {"description":"Nucleophile","evidences":[{"source":"PubMed","id":"21732915","evidenceCode":"ECO:0000305"}]} |
| site_id | SWS_FT_FI4 |
| Number of Residues | 14 |
| Details | Binding site: {} |
| site_id | SWS_FT_FI5 |
| Number of Residues | 22 |
| Details | Binding site: {"evidences":[{"source":"PubMed","id":"21732915","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2WOX","evidenceCode":"ECO:0007744"}]} |
| site_id | SWS_FT_FI6 |
| Number of Residues | 2 |
| Details | Binding site: {"description":"covalent","evidences":[{"source":"PubMed","id":"21732915","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"2WOX","evidenceCode":"ECO:0007744"}]} |
| site_id | SWS_FT_FI7 |
| Number of Residues | 2 |
| Details | Site: {"description":"Seems to be a necessary countercharge to the potassium cations"} |
| site_id | SWS_FT_FI8 |
| Number of Residues | 2 |
| Details | Modified residue: {"description":"Cysteine sulfenic acid (-SOH)","evidences":[{"source":"HAMAP-Rule","id":"MF_00804","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"19013472","evidenceCode":"ECO:0000269"}]} |
