SitesBLAST
Comparing GFF4232 Psest_4305 NAD-dependent aldehyde dehydrogenases 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)
5iuwA Crystal structure of indole-3-acetaldehyde dehydrogenase in complexed with NAD+ and iaa (see paper)
87% identity, 100% coverage: 3:497/497 of query aligns to 1:495/495 of 5iuwA
- active site: N166 (= N168), K189 (= K191), E265 (= E267), C300 (= C302), E399 (= E401), D476 (= D478)
- binding 1h-indol-3-ylacetic acid: F167 (= F169), M170 (= M172), C300 (= C302), D457 (= D459), F465 (= F467)
- binding nicotinamide-adenine-dinucleotide: I162 (= I164), V163 (= V165), P164 (= P166), W165 (= W167), N166 (= N168), K189 (= K191), G222 (= G224), G226 (= G228), K227 (= K229), F240 (= F242), T241 (= T243), G242 (= G244), S243 (= S245), I246 (≠ V248), Y253 (= Y255), E265 (= E267), A266 (= A268), C300 (= C302), E399 (= E401), F401 (= F403)
5iuvA Crystal structure of indole-3-acetaldehyde dehydrogenase in complexed with NAD+ (see paper)
87% identity, 100% coverage: 3:497/497 of query aligns to 1:495/495 of 5iuvA
- active site: N166 (= N168), K189 (= K191), E265 (= E267), C300 (= C302), E399 (= E401), D476 (= D478)
- binding nicotinamide-adenine-dinucleotide: I162 (= I164), V163 (= V165), P164 (= P166), W165 (= W167), N166 (= N168), K189 (= K191), S191 (= S193), G222 (= G224), G226 (= G228), K227 (= K229), F240 (= F242), T241 (= T243), G242 (= G244), S243 (= S245), I246 (≠ V248), Y253 (= Y255), E265 (= E267), A266 (= A268), C300 (= C302), E399 (= E401), F401 (= F403)
7jsoA P. Syringae alda indole-3-acetaldehyde dehydrogenase c302a mutant in complex with NAD+ and iaa (see paper)
87% identity, 100% coverage: 3:497/497 of query aligns to 1:495/495 of 7jsoA
- active site: N166 (= N168), E265 (= E267), A300 (≠ C302), D476 (= D478)
- binding 1h-indol-3-ylacetic acid: F167 (= F169), W174 (= W176), V299 (= V301), A300 (≠ C302), T301 (= T303), D457 (= D459), F465 (= F467)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I162 (= I164), V163 (= V165), P164 (= P166), W165 (= W167), K189 (= K191), E192 (= E194), G222 (= G224), G226 (= G228), K227 (= K229), F240 (= F242), G242 (= G244), S243 (= S245), I246 (≠ V248), A266 (= A268), G267 (= G269), A300 (≠ C302), E399 (= E401), F401 (= F403)
7uyyA The crystal structure of the pseudomonas aeruginosa aldehyde dehydrogenase encoded by the pa4189 gene in complex with nadh (see paper)
48% identity, 99% coverage: 4:495/497 of query aligns to 5:493/496 of 7uyyA
- binding 1,4-dihydronicotinamide adenine dinucleotide: V165 (≠ I164), L166 (≠ V165), P167 (= P166), W168 (= W167), K192 (= K191), G225 (= G224), G229 (= G228), F243 (= F242), G245 (= G244), S246 (= S245), T249 (≠ V248), L252 (≠ Q251), F253 (≠ L252), Y256 (= Y255), C269 (≠ A268), G270 (= G269), C303 (= C302), H350 (≠ Q349), K353 (≠ T352), F400 (= F403)
4pz2B Structure of zm aldh2-6 (rf2f) in complex with NAD (see paper)
47% identity, 96% coverage: 21:497/497 of query aligns to 12:488/494 of 4pz2B
- active site: N159 (= N168), K182 (= K191), E258 (= E267), C292 (= C302), E392 (= E401), D469 (= D478)
- binding nicotinamide-adenine-dinucleotide: I155 (= I164), I156 (≠ V165), P157 (= P166), W158 (= W167), N159 (= N168), M164 (= M173), K182 (= K191), A184 (≠ S193), E185 (= E194), G215 (= G224), G219 (= G228), F233 (= F242), T234 (= T243), G235 (= G244), S236 (= S245), V239 (= V248), E258 (= E267), L259 (≠ A268), C292 (= C302), E392 (= E401), F394 (= F403)
7radA Crystal structure analysis of aldh1b1
47% identity, 96% coverage: 23:497/497 of query aligns to 16:488/493 of 7radA
- binding nicotinamide-adenine-dinucleotide: I158 (= I164), I159 (≠ V165), P160 (= P166), W161 (= W167), N162 (= N168), M167 (= M173), K185 (= K191), E188 (= E194), G218 (= G224), G222 (= G228), A223 (≠ K229), T237 (= T243), G238 (= G244), S239 (= S245), V242 (= V248), E261 (= E267), L262 (≠ A268), C295 (= C302), 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 (≠ V119), E117 (≠ G123), F163 (= F169), E285 (≠ G292), F289 (= F296), N450 (≠ D459), V452 (≠ G461)
7mjdA Crystal structure analysis of aldh1b1
47% identity, 96% coverage: 23:497/497 of query aligns to 16:488/493 of 7mjdA
- binding nicotinamide-adenine-dinucleotide: I158 (= I164), I159 (≠ V165), P160 (= P166), W161 (= W167), N162 (= N168), M167 (= M173), K185 (= K191), E188 (= E194), G218 (= G224), G222 (= G228), F236 (= F242), T237 (= T243), G238 (= G244), S239 (= S245), V242 (= V248), E261 (= E267), L262 (≠ A268), C295 (= C302), 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 (≠ G123), E285 (≠ G292), F289 (= F296), N450 (≠ D459), V452 (≠ G461)
7mjcA Crystal structure analysis of aldh1b1
47% identity, 96% coverage: 23:497/497 of query aligns to 16:488/493 of 7mjcA
- binding nicotinamide-adenine-dinucleotide: I158 (= I164), I159 (≠ V165), P160 (= P166), W161 (= W167), N162 (= N168), K185 (= K191), E188 (= E194), G218 (= G224), G222 (= G228), T237 (= T243), G238 (= G244), S239 (= S245), V242 (= V248), E261 (= E267), L262 (≠ A268), C295 (= C302), E392 (= E401), F394 (= F403)
P20000 Aldehyde dehydrogenase, mitochondrial; ALDH class 2; ALDH-E2; ALDHI; EC 1.2.1.3 from Bos taurus (Bovine) (see 2 papers)
46% identity, 96% coverage: 23:497/497 of query aligns to 43:515/520 of P20000
Sites not aligning to the query:
- 1:21 modified: transit peptide, Mitochondrion
4o6rA Crystal structure of a putative aldehyde dehydrogenase from burkholderia cenocepacia
46% identity, 97% coverage: 17:497/497 of query aligns to 1:479/489 of 4o6rA
- active site: N150 (= N168), K173 (= K191), E248 (= E267), C282 (= C302), E383 (= E401), E460 (≠ D478)
- binding adenosine monophosphate: I146 (= I164), V147 (= V165), K173 (= K191), G206 (= G224), G210 (= G228), Q211 (≠ K229), F224 (= F242), G226 (= G244), S227 (= S245), T230 (≠ V248), R233 (≠ Q251)
5l13A Structure of aldh2 in complex with 2p3 (see paper)
46% identity, 96% coverage: 23:497/497 of query aligns to 17:489/494 of 5l13A
- active site: N163 (= N168), K186 (= K191), E262 (= E267), C296 (= C302), E393 (= E401), E470 (≠ D478)
- binding 2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one: F164 (= F169), M168 (= M173), W171 (= W176), F290 (= F296), C295 (≠ V301), C296 (= C302), C297 (≠ T303), D451 (= D459), F453 (≠ G461)
4kwgA Crystal structure analysis of aldh2+aldib13 (see paper)
46% identity, 96% coverage: 23:497/497 of query aligns to 17:489/494 of 4kwgA
- active site: N163 (= N168), K186 (= K191), E262 (= E267), C296 (= C302), E393 (= E401), E470 (≠ D478)
- binding 7-bromo-5-methyl-1H-indole-2,3-dione: F164 (= F169), M168 (= M173), C295 (≠ V301), C296 (= C302), C297 (≠ T303), D451 (= D459), F453 (≠ G461)
4kwfA Crystal structure analysis of aldh2+aldib33 (see paper)
46% identity, 96% coverage: 23:497/497 of query aligns to 17:489/494 of 4kwfA
- active site: N163 (= N168), K186 (= K191), E262 (= E267), C296 (= C302), E393 (= E401), E470 (≠ D478)
- binding 1-benzyl-1H-indole-2,3-dione: F164 (= F169), M168 (= M173), W171 (= W176), E262 (= E267), C295 (≠ V301), C296 (= C302), C297 (≠ T303), D451 (= D459), F453 (≠ G461), 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)
46% identity, 96% coverage: 23:497/497 of query aligns to 17:489/494 of 3sz9A
- active site: N163 (= N168), K186 (= K191), E262 (= E267), C296 (= C302), E393 (= E401), E470 (≠ D478)
- binding 1-(4-ethylphenyl)propan-1-one: F164 (= F169), C295 (≠ V301), C296 (= C302), D451 (= D459), F453 (≠ G461), F459 (= F467)
3injA Human mitochondrial aldehyde dehydrogenase complexed with agonist alda-1 (see paper)
46% identity, 96% coverage: 23:497/497 of query aligns to 17:489/494 of 3injA
- active site: N163 (= N168), K186 (= K191), E262 (= E267), C296 (= C302), E393 (= E401), E470 (≠ D478)
- binding N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide: M118 (≠ G123), F164 (= F169), L167 (≠ M172), F286 (≠ G292), F290 (= F296), D451 (= D459), F453 (≠ G461)
2vleA The structure of daidzin, a naturally occurring anti alcohol- addiction agent, in complex with human mitochondrial aldehyde dehydrogenase (see paper)
46% identity, 96% coverage: 23:497/497 of query aligns to 17:489/494 of 2vleA
- active site: N163 (= N168), K186 (= K191), E262 (= E267), C296 (= C302), E393 (= E401), E470 (≠ D478)
- binding daidzin: M118 (≠ G123), F164 (= F169), M168 (= M173), W171 (= W176), F286 (≠ G292), F290 (= F296), C295 (≠ V301), C296 (= C302), D451 (= D459), V452 (≠ G460), F453 (≠ G461)
1o01B Human mitochondrial aldehyde dehydrogenase complexed with crotonaldehyde, NAD(h) and mg2+ (see paper)
46% identity, 96% coverage: 23:497/497 of query aligns to 17:489/494 of 1o01B
- active site: N163 (= N168), K186 (= K191), E262 (= E267), C296 (= C302), E393 (= E401), E470 (≠ D478)
- binding (2e)-but-2-enal: C296 (= C302), C297 (≠ T303), F453 (≠ G461)
- binding nicotinamide-adenine-dinucleotide: I159 (= I164), I160 (≠ V165), P161 (= P166), W162 (= W167), K186 (= K191), E189 (= E194), G219 (= G224), G223 (= G228), A224 (≠ K229), F237 (= F242), G239 (= G244), S240 (= S245), I243 (≠ V248), L263 (≠ A268), G264 (= G269), C296 (= C302), Q343 (= Q349), E393 (= E401), F395 (= F403)
1cw3A Human mitochondrial aldehyde dehydrogenase complexed with NAD+ and mn2+ (see paper)
46% identity, 96% coverage: 23:497/497 of query aligns to 17:489/494 of 1cw3A
- active site: N163 (= N168), K186 (= K191), E262 (= E267), C296 (= C302), E393 (= E401), E470 (≠ D478)
- binding magnesium ion: V34 (≠ I40), D103 (= D108), Q190 (≠ K195)
- binding nicotinamide-adenine-dinucleotide: I159 (= I164), I160 (≠ V165), P161 (= P166), W162 (= W167), K186 (= K191), G219 (= G224), G223 (= G228), A224 (≠ K229), F237 (= F242), G239 (= G244), S240 (= S245), I243 (≠ V248), L263 (≠ A268), G264 (= G269), C296 (= C302), Q343 (= Q349), K346 (≠ T352), E393 (= E401), F395 (= F403)
4fr8A Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin (see paper)
45% identity, 96% coverage: 23:497/497 of query aligns to 16:488/493 of 4fr8A
- active site: N162 (= N168), K185 (= K191), Q261 (≠ E267), C295 (= C302), E392 (= E401), E469 (≠ D478)
- binding nicotinamide-adenine-dinucleotide: I158 (= I164), I159 (≠ V165), W161 (= W167), K185 (= K191), G218 (= G224), G222 (= G228), A223 (≠ K229), F236 (= F242), G238 (= G244), S239 (= S245), I242 (≠ V248), Q342 (= Q349), K345 (≠ T352), E392 (= E401), F394 (= F403)
- binding propane-1,2,3-triyl trinitrate: F163 (= F169), L166 (≠ M172), W170 (= W176), F289 (= F296), S294 (≠ V301), C295 (= C302), D450 (= D459), F452 (≠ G461)
4fr8C Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin (see paper)
45% identity, 96% coverage: 23:497/497 of query aligns to 19:491/496 of 4fr8C
- active site: N165 (= N168), K188 (= K191), Q264 (≠ E267), C298 (= C302), E395 (= E401), E472 (≠ D478)
- binding nicotinamide-adenine-dinucleotide: I161 (= I164), I162 (≠ V165), W164 (= W167), K188 (= K191), G221 (= G224), G225 (= G228), A226 (≠ K229), F239 (= F242), G241 (= G244), S242 (= S245), I245 (≠ V248), Q345 (= Q349), E395 (= E401), F397 (= F403)
Query Sequence
>GFF4232 Psest_4305 NAD-dependent aldehyde dehydrogenases
MPTLTLADWQQRARDLHIEGRAFIQGEYCAAADGGQFDCISPVDGRVLAQVASCEQADAE
RAVASARAAFDAGSWSRLAPAKRKAVLIRFADLLEANREELALLETLDMGKPIGDSLAVD
IPGAARALRWSGEAIDKIYDEVAATPHDQLGLVTREPVGVVAAIVPWNFPLMMACWKLGP
ALATGNSVVLKPSEKSPLTAIRIAQLAIDAGIPAGVLNVLPGYGHTVGKALALHMDVDTL
VFTGSTRVAKQLMIYAGESNMKRVWLEAGGKSPNIVFADAPDLQAAAQAAAGAIAFNQGE
VCTAGSRLLVERSIRERFLPMVVEALKGWKPGNPLDPATNVGALVDTQQLNTVLGYIDAG
RQAGAQVLIGGQRTLEETGGLYVEPTIFDGVDNAMRIAQEEIFGPVLSVITFDSAEEAVA
IANDTPYGLAAAVWTADLSKAHRTARALRAGSVWVNQYDGGDMTAPFGGFKQSGNGRDKS
LHAFDKYTELKATWIQL
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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