SitesBLAST
Comparing Pf1N1B4_171 Aldehyde dehydrogenase (EC 1.2.1.3) to proteins with known functional sites using BLASTp with E ≤ 0.001.
Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures
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: 1:477/477 of query aligns to 19:490/491 of 5gtlA
- active site: N165 (= N153), K188 (= K176), E263 (= E251), C297 (= C285), E394 (= E381), E471 (= E458)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (= I149), P163 (≠ A151), K188 (= K176), A190 (= A178), E191 (≠ D179), Q192 (≠ E180), G221 (= G209), G225 (= G213), G241 (= G229), S242 (= S230), T245 (≠ V233), L264 (= L252), C297 (= C285), E394 (= E381), F396 (= F383)
5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
49% identity, 100% coverage: 1:477/477 of query aligns to 19:490/491 of 5gtkA
- active site: N165 (= N153), K188 (= K176), E263 (= E251), C297 (= C285), E394 (= E381), E471 (= E458)
- binding nicotinamide-adenine-dinucleotide: I161 (= I149), I162 (≠ V150), P163 (≠ A151), W164 (= W152), K188 (= K176), E191 (≠ D179), G221 (= G209), G225 (= G213), A226 (≠ S214), F239 (= F227), G241 (= G229), S242 (= S230), T245 (≠ V233), Y248 (≠ Q236), L264 (= L252), C297 (= C285), Q344 (= Q332), R347 (= R335), E394 (= E381), F396 (= F383)
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)
47% identity, 100% coverage: 1:477/477 of query aligns to 23:496/501 of P51977
5ac0A Ovis aries aldehyde dehydrogenase 1a1 in complex with a duocarmycin analog (see paper)
47% identity, 100% coverage: 1:477/477 of query aligns to 16:489/494 of 5ac0A
- active site: N163 (= N153), K186 (= K176), E262 (= E251), C296 (= C285), E393 (= E381), E470 (= E458)
- binding 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one: M114 (= M98), F164 (= F154), W171 (= W161), Y290 (≠ F279), C295 (≠ V284), C296 (= C285)
- binding nicotinamide-adenine-dinucleotide: I159 (= I149), I160 (≠ V150), P161 (≠ A151), W162 (= W152), K186 (= K176), E189 (≠ D179), G219 (= G209), G223 (= G213), A224 (≠ S214), F237 (= F227), G239 (= G229), S240 (= S230), V243 (= V233), G264 (= G253), C296 (= C285), Q343 (= Q332), K346 (≠ R335), E393 (= E381)
5abmA Sheep aldehyde dehydrogenase 1a1 (see paper)
47% identity, 100% coverage: 1:477/477 of query aligns to 16:489/494 of 5abmA
- active site: N163 (= N153), K186 (= K176), E262 (= E251), C296 (= C285), E393 (= E381), E470 (= E458)
- 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 (= I149), I160 (≠ V150), P161 (≠ A151), W162 (= W152), K186 (= K176), E189 (≠ D179), G219 (= G209), G223 (= G213), F237 (= F227), G239 (= G229), S240 (= S230), V243 (= V233), G264 (= G253), Q343 (= Q332), K346 (≠ R335), E393 (= E381), F395 (= F383)
1bxsA Sheep liver class 1 aldehyde dehydrogenase with NAD bound (see paper)
47% identity, 100% coverage: 1:477/477 of query aligns to 16:489/494 of 1bxsA
- active site: N163 (= N153), K186 (= K176), E262 (= E251), C296 (= C285), E393 (= E381), E470 (= E458)
- binding nicotinamide-adenine-dinucleotide: I159 (= I149), I160 (≠ V150), P161 (≠ A151), W162 (= W152), K186 (= K176), E189 (≠ D179), G219 (= G209), G223 (= G213), F237 (= F227), G239 (= G229), S240 (= S230), V243 (= V233), L263 (= L252), C296 (= C285), Q343 (= Q332), K346 (≠ R335), E393 (= E381), F395 (= F383)
5l13A Structure of aldh2 in complex with 2p3 (see paper)
46% identity, 100% coverage: 1:477/477 of query aligns to 16:489/494 of 5l13A
- active site: N163 (= N153), K186 (= K176), E262 (= E251), C296 (= C285), E393 (= E381), E470 (= E458)
- binding 2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one: F164 (= F154), M168 (≠ L158), W171 (= W161), F290 (= F279), C295 (≠ V284), C296 (= C285), C297 (= C286), D451 (≠ S439), F453 (≠ L441)
4kwgA Crystal structure analysis of aldh2+aldib13 (see paper)
46% identity, 100% coverage: 1:477/477 of query aligns to 16:489/494 of 4kwgA
- active site: N163 (= N153), K186 (= K176), E262 (= E251), C296 (= C285), E393 (= E381), E470 (= E458)
- binding 7-bromo-5-methyl-1H-indole-2,3-dione: F164 (= F154), M168 (≠ L158), C295 (≠ V284), C296 (= C285), C297 (= C286), D451 (≠ S439), F453 (≠ L441)
4kwfA Crystal structure analysis of aldh2+aldib33 (see paper)
46% identity, 100% coverage: 1:477/477 of query aligns to 16:489/494 of 4kwfA
- active site: N163 (= N153), K186 (= K176), E262 (= E251), C296 (= C285), E393 (= E381), E470 (= E458)
- binding 1-benzyl-1H-indole-2,3-dione: F164 (= F154), M168 (≠ L158), W171 (= W161), E262 (= E251), C295 (≠ V284), C296 (= C285), C297 (= C286), D451 (≠ S439), F453 (≠ L441), F459 (= F447)
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)
46% identity, 100% coverage: 1:477/477 of query aligns to 16:489/494 of 3sz9A
- active site: N163 (= N153), K186 (= K176), E262 (= E251), C296 (= C285), E393 (= E381), E470 (= E458)
- binding 1-(4-ethylphenyl)propan-1-one: F164 (= F154), C295 (≠ V284), C296 (= C285), D451 (≠ S439), F453 (≠ L441), F459 (= F447)
3injA Human mitochondrial aldehyde dehydrogenase complexed with agonist alda-1 (see paper)
46% identity, 100% coverage: 1:477/477 of query aligns to 16:489/494 of 3injA
- active site: N163 (= N153), K186 (= K176), E262 (= E251), C296 (= C285), E393 (= E381), E470 (= E458)
- binding N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide: M118 (≠ L102), F164 (= F154), L167 (= L157), F286 (≠ S275), F290 (= F279), D451 (≠ S439), F453 (≠ L441)
2vleA The structure of daidzin, a naturally occurring anti alcohol- addiction agent, in complex with human mitochondrial aldehyde dehydrogenase (see paper)
46% identity, 100% coverage: 1:477/477 of query aligns to 16:489/494 of 2vleA
- active site: N163 (= N153), K186 (= K176), E262 (= E251), C296 (= C285), E393 (= E381), E470 (= E458)
- binding daidzin: M118 (≠ L102), F164 (= F154), M168 (≠ L158), W171 (= W161), F286 (≠ S275), F290 (= F279), C295 (≠ V284), C296 (= C285), D451 (≠ S439), V452 (≠ A440), F453 (≠ L441)
1o01B Human mitochondrial aldehyde dehydrogenase complexed with crotonaldehyde, NAD(h) and mg2+ (see paper)
46% identity, 100% coverage: 1:477/477 of query aligns to 16:489/494 of 1o01B
- active site: N163 (= N153), K186 (= K176), E262 (= E251), C296 (= C285), E393 (= E381), E470 (= E458)
- binding (2e)-but-2-enal: C296 (= C285), C297 (= C286), F453 (≠ L441)
- binding nicotinamide-adenine-dinucleotide: I159 (= I149), I160 (≠ V150), P161 (≠ A151), W162 (= W152), K186 (= K176), E189 (≠ D179), G219 (= G209), G223 (= G213), A224 (≠ S214), F237 (= F227), G239 (= G229), S240 (= S230), I243 (≠ V233), L263 (= L252), G264 (= G253), C296 (= C285), Q343 (= Q332), E393 (= E381), F395 (= F383)
1cw3A Human mitochondrial aldehyde dehydrogenase complexed with NAD+ and mn2+ (see paper)
46% identity, 100% coverage: 1:477/477 of query aligns to 16:489/494 of 1cw3A
- active site: N163 (= N153), K186 (= K176), E262 (= E251), C296 (= C285), E393 (= E381), E470 (= E458)
- binding magnesium ion: V34 (≠ H19), D103 (≠ N87), Q190 (≠ E180)
- binding nicotinamide-adenine-dinucleotide: I159 (= I149), I160 (≠ V150), P161 (≠ A151), W162 (= W152), K186 (= K176), G219 (= G209), G223 (= G213), A224 (≠ S214), F237 (= F227), G239 (= G229), S240 (= S230), I243 (≠ V233), L263 (= L252), G264 (= G253), C296 (= C285), Q343 (= Q332), K346 (≠ R335), E393 (= E381), F395 (= F383)
5teiA Structure of human aldh1a1 with inhibitor cm039
45% identity, 100% coverage: 1:477/477 of query aligns to 15:488/493 of 5teiA
- active site: N162 (= N153), K185 (= K176), E261 (= E251), C295 (= C285), E392 (= E381), E469 (= E458)
- binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: S113 (≠ M98), F163 (= F154), H285 (≠ S275), G286 (≠ A276), Y289 (≠ F279), C295 (= C285), G450 (≠ S439), V452 (≠ L441), F458 (= F447)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I149), I159 (≠ V150), P160 (≠ A151), W161 (= W152), N162 (= N153), K185 (= K176), E188 (≠ D179), G218 (= G209), G222 (= G213), A223 (≠ S214), F236 (= F227), T237 (= T228), G238 (= G229), S239 (= S230), V242 (= V233), C295 (= C285), Q342 (= Q332), K345 (≠ R335), E392 (= E381), F394 (= F383)
4x4lA Structure of human aldh1a1 with inhibitor cm037 (see paper)
45% identity, 100% coverage: 1:477/477 of query aligns to 15:488/493 of 4x4lA
- active site: N162 (= N153), K185 (= K176), E261 (= E251), C295 (= C285), E392 (= E381), E469 (= E458)
- binding ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate: S113 (≠ M98), M167 (≠ L158), W170 (= W161), Y289 (≠ F279), G450 (≠ S439), F458 (= F447)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I149), I159 (≠ V150), P160 (≠ A151), W161 (= W152), K185 (= K176), E188 (≠ D179), G218 (= G209), G222 (= G213), F236 (= F227), T237 (= T228), G238 (= G229), S239 (= S230), V242 (= V233), C295 (= C285), Q342 (= Q332), K345 (≠ R335), E392 (= E381), F394 (= F383)
7jwwA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
45% identity, 100% coverage: 1:477/477 of query aligns to 16:489/494 of 7jwwA
- active site: N163 (= N153), K186 (= K176), E262 (= E251), C296 (= C285), E393 (= E381), E470 (= E458)
- binding 5-{4-[(Z)-2-hydroxyethenyl]phenyl}-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ L102), T122 (≠ F106), F164 (= F154), M168 (≠ L158), Y290 (≠ F279), C295 (≠ V284), C296 (= C285), I297 (≠ C286), V453 (≠ L441), F459 (= F447)
7jwvA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
45% identity, 100% coverage: 1:477/477 of query aligns to 16:489/494 of 7jwvA
- active site: N163 (= N153), K186 (= K176), E262 (= E251), C296 (= C285), E393 (= E381), E470 (= E458)
- binding 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ L102), T122 (≠ F106), F164 (= F154), M168 (≠ L158), Y290 (≠ F279), C295 (≠ V284), I297 (≠ C286), V453 (≠ L441), F459 (= F447)
7jwuA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
45% identity, 100% coverage: 1:477/477 of query aligns to 16:489/494 of 7jwuA
- active site: N163 (= N153), K186 (= K176), E262 (= E251), C296 (= C285), E393 (= E381), E470 (= E458)
- binding nicotinamide-adenine-dinucleotide: I159 (= I149), I160 (≠ V150), P161 (≠ A151), W162 (= W152), N163 (= N153), K186 (= K176), E189 (≠ D179), G219 (= G209), G223 (= G213), A224 (≠ S214), F237 (= F227), T238 (= T228), G239 (= G229), S240 (= S230), V243 (= V233), L263 (= L252), C296 (= C285), Q343 (= Q332), K346 (≠ R335), E393 (= E381), F395 (= F383)
- binding 1-methyl-5-phenyl-6-{[(1R)-1-(pyridin-2-yl)ethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: T122 (≠ F106), F164 (= F154), W171 (= W161), Y290 (≠ F279), C295 (≠ V284), I297 (≠ C286), V453 (≠ L441), F459 (= F447)
7jwtA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
45% identity, 100% coverage: 1:477/477 of query aligns to 16:489/494 of 7jwtA
- active site: N163 (= N153), K186 (= K176), E262 (= E251), C296 (= C285), E393 (= E381), E470 (= E458)
- binding 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ L102), T122 (≠ F106), F164 (= F154), M168 (≠ L158), W171 (= W161), Y290 (≠ F279), C295 (≠ V284), V453 (≠ L441), F459 (= F447)
Query Sequence
>Pf1N1B4_171 Aldehyde dehydrogenase (EC 1.2.1.3)
MLIGGDWVEAGDGQTMPLHNPATGEVLCVVPRATPEDVDRAVLAARQAFDDSAWTRTRPR
ERQNLLWKLADLMQRDAELLAQLECLNNGKSAAVAQVMDVQLSIDFLRYMAGWATKIEGS
SVEVSMPLMPNDQFHSFIRREAVGVVGAIVAWNFPLLLACWKLGPALATGCTVVLKPADE
TPLTALKLAELVLEAGYPAGVFNVVTGTGITAGSALTHNPLVDKLTFTGSTAVGKQIGKI
AMESMTRVTLELGGKSPTIVMADADLKTAAAGAASAIFFNQGQVCCAGSRLYVQRKHFDN
VVADIADIANAMKLGNGLDPSVEMGPLISARQQERVYGYIEKGRESGATIACGGEQFGPG
YFVKPTVIVDVDQQHSLVQEEIFGPVLVAIPFDDEADALRMANDSPYGLGASIWSNDLAA
VHRMIPRIKSGSVWVNCHSALDPALPFGGYKMSGVGREMGYAAIEHYTELKSVLIKL
Or try a new SitesBLAST search
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