SitesBLAST
Comparing PP_3463 PP_3463 phenylacetaldehyde dehydrogenase 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)
5gtlA NADPH complex structure of aldehyde dehydrogenase from bacillus cereus
49% identity, 100% coverage: 3:497/497 of query aligns to 1:490/491 of 5gtlA
- active site: N165 (= N173), K188 (= K196), E263 (= E271), C297 (= C305), E394 (= E401), E471 (= E478)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (= I169), P163 (≠ A171), K188 (= K196), A190 (= A198), E191 (≠ D199), Q192 (≠ E200), G221 (= G229), G225 (= G233), G241 (= G249), S242 (= S250), T245 (≠ V253), L264 (= L272), C297 (= C305), E394 (= E401), F396 (= F403)
5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
49% identity, 100% coverage: 3:497/497 of query aligns to 1:490/491 of 5gtkA
- active site: N165 (= N173), K188 (= K196), E263 (= E271), C297 (= C305), E394 (= E401), E471 (= E478)
- binding nicotinamide-adenine-dinucleotide: I161 (= I169), I162 (≠ V170), P163 (≠ A171), W164 (= W172), K188 (= K196), E191 (≠ D199), G221 (= G229), G225 (= G233), A226 (= A234), F239 (= F247), G241 (= G249), S242 (= S250), T245 (≠ V253), Y248 (≠ L256), L264 (= L272), C297 (= C305), Q344 (= Q352), R347 (= R355), E394 (= E401), F396 (= F403)
P51977 Aldehyde dehydrogenase 1A1; 3-deoxyglucosone dehydrogenase; ALDH-E1; ALHDII; Aldehyde dehydrogenase family 1 member A1; Aldehyde dehydrogenase, cytosolic; Retinal dehydrogenase 1; RALDH 1; RalDH1; EC 1.2.1.19; EC 1.2.1.28; EC 1.2.1.3; EC 1.2.1.36 from Ovis aries (Sheep) (see 2 papers)
48% identity, 100% coverage: 3:497/497 of query aligns to 4:496/501 of P51977
7radA Crystal structure analysis of aldh1b1
49% identity, 96% coverage: 20:497/497 of query aligns to 14:488/493 of 7radA
- binding nicotinamide-adenine-dinucleotide: I158 (= I169), I159 (≠ V170), P160 (≠ A171), W161 (= W172), N162 (= N173), M167 (≠ L178), K185 (= K196), E188 (≠ D199), G218 (= G229), G222 (= G233), A223 (= A234), T237 (= T248), G238 (= G249), S239 (= S250), V242 (= V253), E261 (= E271), L262 (= L272), C295 (= C305), E392 (= E401), F394 (= F403)
- binding 3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine: L113 (≠ M118), E117 (≠ L122), F163 (= F174), E285 (≠ T295), F289 (= F299), N450 (≠ S459), V452 (≠ L461)
7mjdA Crystal structure analysis of aldh1b1
49% identity, 96% coverage: 20:497/497 of query aligns to 14:488/493 of 7mjdA
- binding nicotinamide-adenine-dinucleotide: I158 (= I169), I159 (≠ V170), P160 (≠ A171), W161 (= W172), N162 (= N173), M167 (≠ L178), K185 (= K196), E188 (≠ D199), G218 (= G229), G222 (= G233), F236 (= F247), T237 (= T248), G238 (= G249), S239 (= S250), V242 (= V253), E261 (= E271), L262 (= L272), C295 (= C305), E392 (= E401), F394 (= F403)
- binding 8-(2-methoxyphenyl)-10-(4-phenylphenyl)-1$l^{4},8-diazabicyclo[5.3.0]deca-1(7),9-diene: E117 (≠ L122), E285 (≠ T295), F289 (= F299), N450 (≠ S459), V452 (≠ L461)
7mjcA Crystal structure analysis of aldh1b1
49% identity, 96% coverage: 20:497/497 of query aligns to 14:488/493 of 7mjcA
- binding nicotinamide-adenine-dinucleotide: I158 (= I169), I159 (≠ V170), P160 (≠ A171), W161 (= W172), N162 (= N173), K185 (= K196), E188 (≠ D199), G218 (= G229), G222 (= G233), T237 (= T248), G238 (= G249), S239 (= S250), V242 (= V253), E261 (= E271), L262 (= L272), C295 (= C305), E392 (= E401), F394 (= F403)
5l13A Structure of aldh2 in complex with 2p3 (see paper)
47% identity, 96% coverage: 20:497/497 of query aligns to 15:489/494 of 5l13A
- active site: N163 (= N173), K186 (= K196), E262 (= E271), C296 (= C305), E393 (= E401), E470 (= E478)
- binding 2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one: F164 (= F174), M168 (≠ L178), W171 (= W181), F290 (= F299), C295 (≠ V304), C296 (= C305), C297 (= C306), D451 (≠ S459), F453 (≠ L461)
4kwgA Crystal structure analysis of aldh2+aldib13 (see paper)
47% identity, 96% coverage: 20:497/497 of query aligns to 15:489/494 of 4kwgA
- active site: N163 (= N173), K186 (= K196), E262 (= E271), C296 (= C305), E393 (= E401), E470 (= E478)
- binding 7-bromo-5-methyl-1H-indole-2,3-dione: F164 (= F174), M168 (≠ L178), C295 (≠ V304), C296 (= C305), C297 (= C306), D451 (≠ S459), F453 (≠ L461)
4kwfA Crystal structure analysis of aldh2+aldib33 (see paper)
47% identity, 96% coverage: 20:497/497 of query aligns to 15:489/494 of 4kwfA
- active site: N163 (= N173), K186 (= K196), E262 (= E271), C296 (= C305), E393 (= E401), E470 (= E478)
- binding 1-benzyl-1H-indole-2,3-dione: F164 (= F174), M168 (≠ L178), W171 (= W181), E262 (= E271), C295 (≠ V304), C296 (= C305), C297 (= C306), D451 (≠ S459), F453 (≠ L461), F459 (= F467)
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)
47% identity, 96% coverage: 20:497/497 of query aligns to 15:489/494 of 3sz9A
- active site: N163 (= N173), K186 (= K196), E262 (= E271), C296 (= C305), E393 (= E401), E470 (= E478)
- binding 1-(4-ethylphenyl)propan-1-one: F164 (= F174), C295 (≠ V304), C296 (= C305), D451 (≠ S459), F453 (≠ L461), F459 (= F467)
3injA Human mitochondrial aldehyde dehydrogenase complexed with agonist alda-1 (see paper)
47% identity, 96% coverage: 20:497/497 of query aligns to 15:489/494 of 3injA
- active site: N163 (= N173), K186 (= K196), E262 (= E271), C296 (= C305), E393 (= E401), E470 (= E478)
- binding N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide: M118 (≠ L122), F164 (= F174), L167 (= L177), F286 (≠ T295), F290 (= F299), D451 (≠ S459), F453 (≠ L461)
2vleA The structure of daidzin, a naturally occurring anti alcohol- addiction agent, in complex with human mitochondrial aldehyde dehydrogenase (see paper)
47% identity, 96% coverage: 20:497/497 of query aligns to 15:489/494 of 2vleA
- active site: N163 (= N173), K186 (= K196), E262 (= E271), C296 (= C305), E393 (= E401), E470 (= E478)
- binding daidzin: M118 (≠ L122), F164 (= F174), M168 (≠ L178), W171 (= W181), F286 (≠ T295), F290 (= F299), C295 (≠ V304), C296 (= C305), D451 (≠ S459), V452 (≠ A460), F453 (≠ L461)
1o01B Human mitochondrial aldehyde dehydrogenase complexed with crotonaldehyde, NAD(h) and mg2+ (see paper)
47% identity, 96% coverage: 20:497/497 of query aligns to 15:489/494 of 1o01B
- active site: N163 (= N173), K186 (= K196), E262 (= E271), C296 (= C305), E393 (= E401), E470 (= E478)
- binding (2e)-but-2-enal: C296 (= C305), C297 (= C306), F453 (≠ L461)
- binding nicotinamide-adenine-dinucleotide: I159 (= I169), I160 (≠ V170), P161 (≠ A171), W162 (= W172), K186 (= K196), E189 (≠ D199), G219 (= G229), G223 (= G233), A224 (= A234), F237 (= F247), G239 (= G249), S240 (= S250), I243 (≠ V253), L263 (= L272), G264 (= G273), C296 (= C305), Q343 (= Q352), E393 (= E401), F395 (= F403)
1cw3A Human mitochondrial aldehyde dehydrogenase complexed with NAD+ and mn2+ (see paper)
47% identity, 96% coverage: 20:497/497 of query aligns to 15:489/494 of 1cw3A
- active site: N163 (= N173), K186 (= K196), E262 (= E271), C296 (= C305), E393 (= E401), E470 (= E478)
- binding magnesium ion: V34 (≠ R39), D103 (≠ N107), Q190 (≠ E200)
- binding nicotinamide-adenine-dinucleotide: I159 (= I169), I160 (≠ V170), P161 (≠ A171), W162 (= W172), K186 (= K196), G219 (= G229), G223 (= G233), A224 (= A234), F237 (= F247), G239 (= G249), S240 (= S250), I243 (≠ V253), L263 (= L272), G264 (= G273), C296 (= C305), Q343 (= Q352), K346 (≠ R355), E393 (= E401), F395 (= F403)
5ac0A Ovis aries aldehyde dehydrogenase 1a1 in complex with a duocarmycin analog (see paper)
48% identity, 99% coverage: 8:497/497 of query aligns to 2:489/494 of 5ac0A
- active site: N163 (= N173), K186 (= K196), E262 (= E271), C296 (= C305), E393 (= E401), E470 (= E478)
- binding 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one: M114 (= M118), F164 (= F174), W171 (= W181), Y290 (≠ F299), C295 (≠ V304), C296 (= C305)
- binding nicotinamide-adenine-dinucleotide: I159 (= I169), I160 (≠ V170), P161 (≠ A171), W162 (= W172), K186 (= K196), E189 (≠ D199), G219 (= G229), G223 (= G233), A224 (= A234), F237 (= F247), G239 (= G249), S240 (= S250), V243 (= V253), G264 (= G273), C296 (= C305), Q343 (= Q352), K346 (≠ R355), E393 (= E401)
5abmA Sheep aldehyde dehydrogenase 1a1 (see paper)
48% identity, 99% coverage: 8:497/497 of query aligns to 2:489/494 of 5abmA
- active site: N163 (= N173), K186 (= K196), E262 (= E271), C296 (= C305), E393 (= E401), E470 (= E478)
- binding [[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate: I159 (= I169), I160 (≠ V170), P161 (≠ A171), W162 (= W172), K186 (= K196), E189 (≠ D199), G219 (= G229), G223 (= G233), F237 (= F247), G239 (= G249), S240 (= S250), V243 (= V253), G264 (= G273), Q343 (= Q352), K346 (≠ R355), E393 (= E401), F395 (= F403)
1bxsA Sheep liver class 1 aldehyde dehydrogenase with NAD bound (see paper)
48% identity, 99% coverage: 8:497/497 of query aligns to 2:489/494 of 1bxsA
- active site: N163 (= N173), K186 (= K196), E262 (= E271), C296 (= C305), E393 (= E401), E470 (= E478)
- binding nicotinamide-adenine-dinucleotide: I159 (= I169), I160 (≠ V170), P161 (≠ A171), W162 (= W172), K186 (= K196), E189 (≠ D199), G219 (= G229), G223 (= G233), F237 (= F247), G239 (= G249), S240 (= S250), V243 (= V253), L263 (= L272), C296 (= C305), Q343 (= Q352), K346 (≠ R355), E393 (= E401), F395 (= F403)
1nzwA Cys302ser mutant of human mitochondrial aldehyde dehydrogenase complexed with nadh and mg2+ (see paper)
47% identity, 96% coverage: 20:497/497 of query aligns to 15:489/494 of 1nzwA
- active site: N163 (= N173), K186 (= K196), E262 (= E271), S296 (≠ C305), E393 (= E401), E470 (= E478)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I159 (= I169), I160 (≠ V170), P161 (≠ A171), K186 (= K196), E189 (≠ D199), G219 (= G229), P220 (≠ L230), G223 (= G233), A224 (= A234), F237 (= F247), G239 (= G249), S240 (= S250), I243 (≠ V253), E262 (= E271), G264 (= G273), S296 (≠ C305), Q343 (= Q352), E393 (= E401), F395 (= F403)
4fr8C Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin (see paper)
46% identity, 96% coverage: 20:497/497 of query aligns to 17:491/496 of 4fr8C
- active site: N165 (= N173), K188 (= K196), Q264 (≠ E271), C298 (= C305), E395 (= E401), E472 (= E478)
- binding nicotinamide-adenine-dinucleotide: I161 (= I169), I162 (≠ V170), W164 (= W172), K188 (= K196), G221 (= G229), G225 (= G233), A226 (= A234), F239 (= F247), G241 (= G249), S242 (= S250), I245 (≠ V253), Q345 (= Q352), E395 (= E401), F397 (= F403)
P15437 Aldehyde dehydrogenase 1A1; 3-deoxyglucosone dehydrogenase; ALDH-E1; ALHDII; Aldehyde dehydrogenase family 1 member A1; Aldehyde dehydrogenase, cytosolic; Retinal dehydrogenase 1; RALDH 1; RalDH1; EC 1.2.1.19; EC 1.2.1.28; EC 1.2.1.3; EC 1.2.1.36 from Equus caballus (Horse) (see paper)
47% identity, 99% coverage: 4:497/497 of query aligns to 8:496/501 of P15437
Sites not aligning to the query:
- 2 modified: N-acetylserine
Query Sequence
>PP_3463 PP_3463 phenylacetaldehyde dehydrogenase
MLSELPILPATRAFLERKLKMRIGADWQDAASGRTLSFRNPATGEVLGEVPAAEAEDVDR
AVRAARQAFDDSPWSRMRPRERQNLLWRLADLMERDARQLAELECLNNGKSAAVAQMMDV
QLAIDFLRYMAGWATKIEGSTVEASMPLMPNDQFHGFVRREAVGVVGAIVAWNFPLLLAC
WKLGPALATGCTVVLKPADETPLSVLKLAELVDEAGYPAGVFNVVTGTGLNAGAALSRHP
GVDKLTFTGSTEVGKLIGKAAMDNMTRVTLELGGKSPTIVMPDANLQEAAAGAATAIFFN
QGQVCCAGSRLYVHRKHFDNVVADIAGIANAMKLGNGLDPAVQMGPLISAKQQDRVTGYI
ELGRELGATIACGGEGFGPGYFVKPTVIVDVDQRHRLVQEEIFGPVLVAMPFDDIDEVIG
MANDNPYGLGASIWSNDLAAVHRMIPRIKSGSVWVNCHSALDPALPFGGYKMSGVGREMG
SAAIEHYTELKSVLIKL
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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