SitesBLAST
Comparing Ac3H11_4393 Aldehyde dehydrogenase (EC 1.2.1.3) to proteins with known functional sites using BLASTp with E ≤ 0.001.
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Found 20 (the maximum) hits to proteins with known functional sites (download)
P37685 Aldehyde dehydrogenase B; Acetaldehyde dehydrogenase; EC 1.2.1.4 from Escherichia coli (strain K12) (see paper)
67% identity, 99% coverage: 7:507/507 of query aligns to 12:512/512 of P37685
- R197 (≠ E192) mutation to E: Less than 10% of wild-type acetaldehyde dehydrogenase activity.
4o6rA Crystal structure of a putative aldehyde dehydrogenase from burkholderia cenocepacia
44% identity, 95% coverage: 19:502/507 of query aligns to 3:482/489 of 4o6rA
- active site: N150 (= N166), K173 (= K189), E248 (= E263), C282 (= C302), E383 (= E403), E460 (= E480)
- binding adenosine monophosphate: I146 (= I162), V147 (≠ I163), K173 (= K189), G206 (= G221), G210 (= G225), Q211 (≠ M226), F224 (= F239), G226 (= G241), S227 (= S242), T230 (= T245), R233 (≠ V248)
4go4A Crystal structure of pnpe in complex with nicotinamide adenine dinucleotide
42% identity, 95% coverage: 19:498/507 of query aligns to 2:476/487 of 4go4A
- active site: N149 (= N166), K172 (= K189), E247 (= E263), C281 (= C302), E381 (= E403), E458 (= E480)
- binding nicotinamide-adenine-dinucleotide: I145 (= I162), V146 (≠ I163), W148 (= W165), N149 (= N166), F154 (≠ M171), K172 (= K189), G205 (= G221), G209 (= G225), Q210 (≠ M226), F223 (= F239), T224 (= T240), G225 (= G241), S226 (= S242), T229 (= T245), E247 (= E263), G249 (= G265), C281 (= C302), E381 (= E403), F383 (= F405)
5l13A Structure of aldh2 in complex with 2p3 (see paper)
43% identity, 94% coverage: 23:497/507 of query aligns to 17:487/494 of 5l13A
- active site: N163 (= N166), K186 (= K189), E262 (= E263), C296 (= C302), E393 (= E403), E470 (= E480)
- binding 2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one: F164 (= F167), M168 (= M171), W171 (= W174), F290 (= F296), C295 (≠ V301), C296 (= C302), C297 (≠ T303), D451 (≠ H461), F453 (≠ Y463)
4kwgA Crystal structure analysis of aldh2+aldib13 (see paper)
43% identity, 94% coverage: 23:497/507 of query aligns to 17:487/494 of 4kwgA
- active site: N163 (= N166), K186 (= K189), E262 (= E263), C296 (= C302), E393 (= E403), E470 (= E480)
- binding 7-bromo-5-methyl-1H-indole-2,3-dione: F164 (= F167), M168 (= M171), C295 (≠ V301), C296 (= C302), C297 (≠ T303), D451 (≠ H461), F453 (≠ Y463)
4kwfA Crystal structure analysis of aldh2+aldib33 (see paper)
43% identity, 94% coverage: 23:497/507 of query aligns to 17:487/494 of 4kwfA
- active site: N163 (= N166), K186 (= K189), E262 (= E263), C296 (= C302), E393 (= E403), E470 (= E480)
- binding 1-benzyl-1H-indole-2,3-dione: F164 (= F167), M168 (= M171), W171 (= W174), E262 (= E263), C295 (≠ V301), C296 (= C302), C297 (≠ T303), D451 (≠ H461), F453 (≠ Y463), F459 (= F469)
3sz9A Crystal structure of human aldh2 modified with the beta-elimination product of aldi-3; 1-(4-ethylbenzene)prop-2-en-1-one (see paper)
43% identity, 94% coverage: 23:497/507 of query aligns to 17:487/494 of 3sz9A
- active site: N163 (= N166), K186 (= K189), E262 (= E263), C296 (= C302), E393 (= E403), E470 (= E480)
- binding 1-(4-ethylphenyl)propan-1-one: F164 (= F167), C295 (≠ V301), C296 (= C302), D451 (≠ H461), F453 (≠ Y463), F459 (= F469)
3injA Human mitochondrial aldehyde dehydrogenase complexed with agonist alda-1 (see paper)
43% identity, 94% coverage: 23:497/507 of query aligns to 17:487/494 of 3injA
- active site: N163 (= N166), K186 (= K189), E262 (= E263), C296 (= C302), E393 (= E403), E470 (= E480)
- binding N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide: M118 (≠ L121), F164 (= F167), L167 (= L170), F286 (≠ L291), F290 (= F296), D451 (≠ H461), F453 (≠ Y463)
2vleA The structure of daidzin, a naturally occurring anti alcohol- addiction agent, in complex with human mitochondrial aldehyde dehydrogenase (see paper)
43% identity, 94% coverage: 23:497/507 of query aligns to 17:487/494 of 2vleA
- active site: N163 (= N166), K186 (= K189), E262 (= E263), C296 (= C302), E393 (= E403), E470 (= E480)
- binding daidzin: M118 (≠ L121), F164 (= F167), M168 (= M171), W171 (= W174), F286 (≠ L291), F290 (= F296), C295 (≠ V301), C296 (= C302), D451 (≠ H461), V452 (≠ A462), F453 (≠ Y463)
1o01B Human mitochondrial aldehyde dehydrogenase complexed with crotonaldehyde, NAD(h) and mg2+ (see paper)
43% identity, 94% coverage: 23:497/507 of query aligns to 17:487/494 of 1o01B
- active site: N163 (= N166), K186 (= K189), E262 (= E263), C296 (= C302), E393 (= E403), E470 (= E480)
- binding (2e)-but-2-enal: C296 (= C302), C297 (≠ T303), F453 (≠ Y463)
- binding nicotinamide-adenine-dinucleotide: I159 (= I162), I160 (= I163), P161 (= P164), W162 (= W165), K186 (= K189), E189 (= E192), G219 (= G221), G223 (= G225), A224 (≠ M226), F237 (= F239), G239 (= G241), S240 (= S242), I243 (≠ T245), L263 (= L264), G264 (= G265), C296 (= C302), Q343 (= Q349), E393 (= E403), F395 (= F405)
1cw3A Human mitochondrial aldehyde dehydrogenase complexed with NAD+ and mn2+ (see paper)
43% identity, 94% coverage: 23:497/507 of query aligns to 17:487/494 of 1cw3A
- active site: N163 (= N166), K186 (= K189), E262 (= E263), C296 (= C302), E393 (= E403), E470 (= E480)
- binding magnesium ion: V34 (≠ I40), D103 (= D106), Q190 (≠ S193)
- binding nicotinamide-adenine-dinucleotide: I159 (= I162), I160 (= I163), P161 (= P164), W162 (= W165), K186 (= K189), G219 (= G221), G223 (= G225), A224 (≠ M226), F237 (= F239), G239 (= G241), S240 (= S242), I243 (≠ T245), L263 (= L264), G264 (= G265), C296 (= C302), Q343 (= Q349), K346 (= K352), E393 (= E403), F395 (= F405)
Q56YU0 Aldehyde dehydrogenase family 2 member C4; ALDH1a; Protein REDUCED EPIDERMAL FLUORESCENCE 1; EC 1.2.1.3 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
43% identity, 94% coverage: 23:497/507 of query aligns to 23:493/501 of Q56YU0
- G152 (≠ A149) mutation to E: In ref1-7; reduced activity on sinapaldehyde.
- G416 (≠ A420) mutation to R: In ref1-6; reduced activity on sinapaldehyde.
4fr8A Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin (see paper)
42% identity, 94% coverage: 23:497/507 of query aligns to 16:486/493 of 4fr8A
- active site: N162 (= N166), K185 (= K189), Q261 (≠ E263), C295 (= C302), E392 (= E403), E469 (= E480)
- binding nicotinamide-adenine-dinucleotide: I158 (= I162), I159 (= I163), W161 (= W165), K185 (= K189), G218 (= G221), G222 (= G225), A223 (≠ M226), F236 (= F239), G238 (= G241), S239 (= S242), I242 (≠ T245), Q342 (= Q349), K345 (= K352), E392 (= E403), F394 (= F405)
- binding propane-1,2,3-triyl trinitrate: F163 (= F167), L166 (= L170), W170 (= W174), F289 (= F296), S294 (≠ V301), C295 (= C302), D450 (≠ H461), F452 (≠ Y463)
4fr8C Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin (see paper)
42% identity, 94% coverage: 23:497/507 of query aligns to 19:489/496 of 4fr8C
- active site: N165 (= N166), K188 (= K189), Q264 (≠ E263), C298 (= C302), E395 (= E403), E472 (= E480)
- binding nicotinamide-adenine-dinucleotide: I161 (= I162), I162 (= I163), W164 (= W165), K188 (= K189), G221 (= G221), G225 (= G225), A226 (≠ M226), F239 (= F239), G241 (= G241), S242 (= S242), I245 (≠ T245), Q345 (= Q349), E395 (= E403), F397 (= F405)
1nzwA Cys302ser mutant of human mitochondrial aldehyde dehydrogenase complexed with nadh and mg2+ (see paper)
43% identity, 94% coverage: 23:497/507 of query aligns to 17:487/494 of 1nzwA
- active site: N163 (= N166), K186 (= K189), E262 (= E263), S296 (≠ T303), E393 (= E403), E470 (= E480)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I159 (= I162), I160 (= I163), P161 (= P164), K186 (= K189), E189 (= E192), G219 (= G221), P220 (≠ R222), G223 (= G225), A224 (≠ M226), F237 (= F239), G239 (= G241), S240 (= S242), I243 (≠ T245), E262 (= E263), G264 (= G265), S296 (≠ T303), Q343 (= Q349), E393 (= E403), F395 (= F405)
2onmA Human mitochondrial aldehyde dehydrogenase asian variant, aldh2 2, Complexed with NAD+ (see paper)
43% identity, 92% coverage: 23:489/507 of query aligns to 17:479/494 of 2onmA
- active site: N163 (= N166), K186 (= K189), E262 (= E263), C296 (= C302), E393 (= E403), E470 (= E480)
- binding adenosine-5'-diphosphate: E189 (= E192), G219 (= G221), G223 (= G225), A224 (≠ M226), F237 (= F239), G239 (= G241), S240 (= S242), I243 (≠ T245)
O14293 Putative aldehyde dehydrogenase-like protein C9E9.09c; EC 1.2.1.- from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
43% identity, 94% coverage: 23:498/507 of query aligns to 26:496/503 of O14293
- S248 (= S242) modified: Phosphoserine
Sites not aligning to the query:
- 501 modified: Phosphoserine
5gtlA NADPH complex structure of aldehyde dehydrogenase from bacillus cereus
41% identity, 94% coverage: 23:498/507 of query aligns to 20:489/491 of 5gtlA
- active site: N165 (= N166), K188 (= K189), E263 (= E263), C297 (= C302), E394 (= E403), E471 (= E480)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (= I162), P163 (= P164), K188 (= K189), A190 (= A191), E191 (= E192), Q192 (≠ S193), G221 (= G221), G225 (= G225), G241 (= G241), S242 (= S242), T245 (= T245), L264 (= L264), C297 (= C302), E394 (= E403), F396 (= F405)
5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
41% identity, 94% coverage: 23:498/507 of query aligns to 20:489/491 of 5gtkA
- active site: N165 (= N166), K188 (= K189), E263 (= E263), C297 (= C302), E394 (= E403), E471 (= E480)
- binding nicotinamide-adenine-dinucleotide: I161 (= I162), I162 (= I163), P163 (= P164), W164 (= W165), K188 (= K189), E191 (= E192), G221 (= G221), G225 (= G225), A226 (≠ M226), F239 (= F239), G241 (= G241), S242 (= S242), T245 (= T245), Y248 (≠ V248), L264 (= L264), C297 (= C302), Q344 (= Q349), R347 (≠ K352), E394 (= E403), F396 (= F405)
7radA Crystal structure analysis of aldh1b1
41% identity, 94% coverage: 23:498/507 of query aligns to 16:487/493 of 7radA
- binding nicotinamide-adenine-dinucleotide: I158 (= I162), I159 (= I163), P160 (= P164), W161 (= W165), N162 (= N166), M167 (= M171), K185 (= K189), E188 (= E192), G218 (= G221), G222 (= G225), A223 (≠ M226), T237 (= T240), G238 (= G241), S239 (= S242), V242 (≠ T245), E261 (= E263), L262 (= L264), C295 (= C302), E392 (= E403), F394 (= F405)
- binding 3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine: L113 (≠ A117), E117 (≠ L121), F163 (= F167), E285 (vs. gap), F289 (= F296), N450 (≠ H461), V452 (≠ Y463)
Query Sequence
>Ac3H11_4393 Aldehyde dehydrogenase (EC 1.2.1.3)
MTVYAAPGAPGAKITYKPQYDNFIGGKFVPPVKGQYFDVITPVSGKVYTRAARSTAEDIE
LALDAAHAAADSWGKTDAATRANILLKIANRIEENLERLAYAETVDNGKAIRETLNADIP
LTVDHFRYFAGCVRAQEGALSNIDENTVAYHIQEPLGVVGQIIPWNFPILMAAWKLAPAL
GAGNCVVLKPAESTPISILILVELIADLLPPGVLNIVNGFGREAGMPLAQSKRIAKIAFT
GSTSTGRVIAQAAANNLIPATLELGGKSPNIFFADIMDKDDAFLDKAIEGLVLFAFNQGE
VCTCPSRAIIQESIYDQFMERVLKRVAAIKHQNPLDTDSMMGAQASKEQLTKILSYLDLG
KQEGAEVLAGGGQAHLGGDLEGGYYVQPTLFKGHNKMRIFQEEIFGPVLAVTTFKDEAEA
LAIANDTLYGLGAGVWSRNGNVAYRMGRAIKAGRVWTNCYHAYPAHAAFGGYKESGIGRE
THKMMLDHYQQTKNLLVSYSENKLGFF
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SitesBLAST's Database
SitesBLAST's database includes
(1) SwissProt
entries with experimentally-supported functional features;
and (2) protein structures with bound ligands, from the
BioLip database.
by Morgan Price,
Arkin group
Lawrence Berkeley National Laboratory