SitesBLAST
Comparing SMc02689 SMc02689 aldehyde dehydrogenase 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)
P37685 Aldehyde dehydrogenase B; Acetaldehyde dehydrogenase; EC 1.2.1.4 from Escherichia coli (strain K12) (see paper)
74% identity, 98% coverage: 12:502/502 of query aligns to 22:512/512 of P37685
- R197 (≠ E187) mutation to E: Less than 10% of wild-type acetaldehyde dehydrogenase activity.
4fr8A Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin (see paper)
44% identity, 96% coverage: 18:497/502 of query aligns to 16:491/493 of 4fr8A
- active site: N162 (= N161), K185 (= K184), Q261 (≠ E258), C295 (= C297), E392 (= E398), E469 (= E475)
- binding nicotinamide-adenine-dinucleotide: I158 (= I157), I159 (= I158), W161 (= W160), K185 (= K184), G218 (= G216), G222 (= G220), A223 (≠ K221), F236 (= F234), G238 (= G236), S239 (≠ E237), I242 (≠ T240), Q342 (= Q344), K345 (= K347), E392 (= E398), F394 (= F400)
- binding propane-1,2,3-triyl trinitrate: F163 (= F162), L166 (= L165), W170 (= W169), F289 (≠ L291), S294 (≠ V296), C295 (= C297), D450 (≠ H456), F452 (≠ Y458)
5l13A Structure of aldh2 in complex with 2p3 (see paper)
44% identity, 96% coverage: 18:497/502 of query aligns to 17:492/494 of 5l13A
- active site: N163 (= N161), K186 (= K184), E262 (= E258), C296 (= C297), E393 (= E398), E470 (= E475)
- binding 2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one: F164 (= F162), M168 (= M166), W171 (= W169), F290 (≠ L291), C295 (≠ V296), C296 (= C297), C297 (≠ T298), D451 (≠ H456), F453 (≠ Y458)
4kwgA Crystal structure analysis of aldh2+aldib13 (see paper)
44% identity, 96% coverage: 18:497/502 of query aligns to 17:492/494 of 4kwgA
- active site: N163 (= N161), K186 (= K184), E262 (= E258), C296 (= C297), E393 (= E398), E470 (= E475)
- binding 7-bromo-5-methyl-1H-indole-2,3-dione: F164 (= F162), M168 (= M166), C295 (≠ V296), C296 (= C297), C297 (≠ T298), D451 (≠ H456), F453 (≠ Y458)
4kwfA Crystal structure analysis of aldh2+aldib33 (see paper)
44% identity, 96% coverage: 18:497/502 of query aligns to 17:492/494 of 4kwfA
- active site: N163 (= N161), K186 (= K184), E262 (= E258), C296 (= C297), E393 (= E398), E470 (= E475)
- binding 1-benzyl-1H-indole-2,3-dione: F164 (= F162), M168 (= M166), W171 (= W169), E262 (= E258), C295 (≠ V296), C296 (= C297), C297 (≠ T298), D451 (≠ H456), F453 (≠ Y458), F459 (= F464)
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)
44% identity, 96% coverage: 18:497/502 of query aligns to 17:492/494 of 3sz9A
- active site: N163 (= N161), K186 (= K184), E262 (= E258), C296 (= C297), E393 (= E398), E470 (= E475)
- binding 1-(4-ethylphenyl)propan-1-one: F164 (= F162), C295 (≠ V296), C296 (= C297), D451 (≠ H456), F453 (≠ Y458), F459 (= F464)
3injA Human mitochondrial aldehyde dehydrogenase complexed with agonist alda-1 (see paper)
44% identity, 96% coverage: 18:497/502 of query aligns to 17:492/494 of 3injA
- active site: N163 (= N161), K186 (= K184), E262 (= E258), C296 (= C297), E393 (= E398), E470 (= E475)
- binding N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide: M118 (≠ L116), F164 (= F162), L167 (= L165), F286 (= F286), F290 (≠ L291), D451 (≠ H456), F453 (≠ Y458)
2vleA The structure of daidzin, a naturally occurring anti alcohol- addiction agent, in complex with human mitochondrial aldehyde dehydrogenase (see paper)
44% identity, 96% coverage: 18:497/502 of query aligns to 17:492/494 of 2vleA
- active site: N163 (= N161), K186 (= K184), E262 (= E258), C296 (= C297), E393 (= E398), E470 (= E475)
- binding daidzin: M118 (≠ L116), F164 (= F162), M168 (= M166), W171 (= W169), F286 (= F286), F290 (≠ L291), C295 (≠ V296), C296 (= C297), D451 (≠ H456), V452 (≠ A457), F453 (≠ Y458)
1o01B Human mitochondrial aldehyde dehydrogenase complexed with crotonaldehyde, NAD(h) and mg2+ (see paper)
44% identity, 96% coverage: 18:497/502 of query aligns to 17:492/494 of 1o01B
- active site: N163 (= N161), K186 (= K184), E262 (= E258), C296 (= C297), E393 (= E398), E470 (= E475)
- binding (2e)-but-2-enal: C296 (= C297), C297 (≠ T298), F453 (≠ Y458)
- binding nicotinamide-adenine-dinucleotide: I159 (= I157), I160 (= I158), P161 (= P159), W162 (= W160), K186 (= K184), E189 (= E187), G219 (= G216), G223 (= G220), A224 (≠ K221), F237 (= F234), G239 (= G236), S240 (≠ E237), I243 (≠ T240), L263 (= L259), G264 (= G260), C296 (= C297), Q343 (= Q344), E393 (= E398), F395 (= F400)
1cw3A Human mitochondrial aldehyde dehydrogenase complexed with NAD+ and mn2+ (see paper)
44% identity, 96% coverage: 18:497/502 of query aligns to 17:492/494 of 1cw3A
- active site: N163 (= N161), K186 (= K184), E262 (= E258), C296 (= C297), E393 (= E398), E470 (= E475)
- binding magnesium ion: V34 (≠ T35), D103 (= D101), Q190 (= Q188)
- binding nicotinamide-adenine-dinucleotide: I159 (= I157), I160 (= I158), P161 (= P159), W162 (= W160), K186 (= K184), G219 (= G216), G223 (= G220), A224 (≠ K221), F237 (= F234), G239 (= G236), S240 (≠ E237), I243 (≠ T240), L263 (= L259), G264 (= G260), C296 (= C297), Q343 (= Q344), K346 (= K347), E393 (= E398), F395 (= F400)
4fr8C Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin (see paper)
44% identity, 96% coverage: 18:497/502 of query aligns to 19:494/496 of 4fr8C
- active site: N165 (= N161), K188 (= K184), Q264 (≠ E258), C298 (= C297), E395 (= E398), E472 (= E475)
- binding nicotinamide-adenine-dinucleotide: I161 (= I157), I162 (= I158), W164 (= W160), K188 (= K184), G221 (= G216), G225 (= G220), A226 (≠ K221), F239 (= F234), G241 (= G236), S242 (≠ E237), I245 (≠ T240), Q345 (= Q344), E395 (= E398), F397 (= F400)
1nzwA Cys302ser mutant of human mitochondrial aldehyde dehydrogenase complexed with nadh and mg2+ (see paper)
45% identity, 96% coverage: 18:497/502 of query aligns to 17:492/494 of 1nzwA
- active site: N163 (= N161), K186 (= K184), E262 (= E258), S296 (≠ T298), E393 (= E398), E470 (= E475)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I159 (= I157), I160 (= I158), P161 (= P159), K186 (= K184), E189 (= E187), G219 (= G216), P220 (≠ L217), G223 (= G220), A224 (≠ K221), F237 (= F234), G239 (= G236), S240 (≠ E237), I243 (≠ T240), E262 (= E258), G264 (= G260), S296 (≠ T298), Q343 (= Q344), E393 (= E398), F395 (= F400)
2onmA Human mitochondrial aldehyde dehydrogenase asian variant, aldh2 2, Complexed with NAD+ (see paper)
45% identity, 93% coverage: 18:484/502 of query aligns to 17:479/494 of 2onmA
- active site: N163 (= N161), K186 (= K184), E262 (= E258), C296 (= C297), E393 (= E398), E470 (= E475)
- binding adenosine-5'-diphosphate: E189 (= E187), G219 (= G216), G223 (= G220), A224 (≠ K221), F237 (= F234), G239 (= G236), S240 (≠ E237), I243 (≠ T240)
P20000 Aldehyde dehydrogenase, mitochondrial; ALDH class 2; ALDH-E2; ALDHI; EC 1.2.1.3 from Bos taurus (Bovine) (see 2 papers)
44% identity, 96% coverage: 18:497/502 of query aligns to 43:518/520 of P20000
Sites not aligning to the query:
- 1:21 modified: transit peptide, Mitochondrion
7radA Crystal structure analysis of aldh1b1
43% identity, 97% coverage: 10:497/502 of query aligns to 11:491/493 of 7radA
- binding nicotinamide-adenine-dinucleotide: I158 (= I157), I159 (= I158), P160 (= P159), W161 (= W160), N162 (= N161), M167 (= M166), K185 (= K184), E188 (= E187), G218 (= G216), G222 (= G220), A223 (≠ K221), T237 (= T235), G238 (= G236), S239 (≠ E237), V242 (≠ T240), E261 (= E258), L262 (= L259), C295 (= C297), E392 (= E398), F394 (= F400)
- binding 3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine: L113 (≠ A112), E117 (≠ L116), F163 (= F162), E285 (vs. gap), F289 (≠ L291), N450 (≠ H456), V452 (≠ Y458)
7mjdA Crystal structure analysis of aldh1b1
43% identity, 97% coverage: 10:497/502 of query aligns to 11:491/493 of 7mjdA
- binding nicotinamide-adenine-dinucleotide: I158 (= I157), I159 (= I158), P160 (= P159), W161 (= W160), N162 (= N161), M167 (= M166), K185 (= K184), E188 (= E187), G218 (= G216), G222 (= G220), F236 (= F234), T237 (= T235), G238 (= G236), S239 (≠ E237), V242 (≠ T240), E261 (= E258), L262 (= L259), C295 (= C297), E392 (= E398), F394 (= F400)
- binding 8-(2-methoxyphenyl)-10-(4-phenylphenyl)-1$l^{4},8-diazabicyclo[5.3.0]deca-1(7),9-diene: E117 (≠ L116), E285 (vs. gap), F289 (≠ L291), N450 (≠ H456), V452 (≠ Y458)
7mjcA Crystal structure analysis of aldh1b1
43% identity, 97% coverage: 10:497/502 of query aligns to 11:491/493 of 7mjcA
- binding nicotinamide-adenine-dinucleotide: I158 (= I157), I159 (= I158), P160 (= P159), W161 (= W160), N162 (= N161), K185 (= K184), E188 (= E187), G218 (= G216), G222 (= G220), T237 (= T235), G238 (= G236), S239 (≠ E237), V242 (≠ T240), E261 (= E258), L262 (= L259), C295 (= C297), E392 (= E398), F394 (= F400)
4o6rA Crystal structure of a putative aldehyde dehydrogenase from burkholderia cenocepacia
42% identity, 95% coverage: 18:493/502 of query aligns to 7:478/489 of 4o6rA
- active site: N150 (= N161), K173 (= K184), E248 (= E258), C282 (= C297), E383 (= E398), E460 (= E475)
- binding adenosine monophosphate: I146 (= I157), V147 (≠ I158), K173 (= K184), G206 (= G216), G210 (= G220), Q211 (≠ K221), F224 (= F234), G226 (= G236), S227 (≠ E237), T230 (= T240), R233 (≠ L243)
O94788 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Homo sapiens (Human) (see 6 papers)
43% identity, 96% coverage: 18:497/502 of query aligns to 41:516/518 of O94788
- E50 (≠ V27) to G: in dbSNP:rs34266719
- A110 (= A84) to V: in dbSNP:rs35365164
- Q182 (= Q156) to K: in DIH4; decreased retinoic acid biosynthetic process
- IPW 184:186 (= IPW 158:160) binding
- KPAE 210:213 (= KPAE 184:187) binding
- STE 264:266 (≠ ETT 237:239) binding
- C320 (= C297) active site, Nucleophile
- R347 (≠ I324) to H: in DIH4; decreased expression; dbSNP:rs141245344
- V348 (≠ R325) to I: in dbSNP:rs4646626
- KQYNK 366:370 (≠ EQLEK 343:347) binding
- A383 (= A360) to T: in DIH4; uncertain significance; dbSNP:rs749124508
- E417 (= E398) binding
- E436 (= E417) to K: in dbSNP:rs34744827
- S461 (≠ G442) to Y: in DIH4; decreased retinoic acid biosynthetic process
6b5hA Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) (see paper)
43% identity, 96% coverage: 18:497/502 of query aligns to 15:490/492 of 6b5hA
- active site: N161 (= N161), E260 (= E258), C294 (= C297), E468 (= E475)
- binding 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide: V112 (≠ A112), G116 (≠ L116), F162 (= F162), W169 (= W169), Q284 (≠ E284), F288 (≠ L291), T295 (= T298), N449 (≠ H456), L451 (≠ Y458), N452 (≠ P459), F457 (= F464)
- binding nicotinamide-adenine-dinucleotide: I157 (= I157), I158 (= I158), W160 (= W160), N161 (= N161), K184 (= K184), G217 (= G216), G221 (= G220), F235 (= F234), T236 (= T235), G237 (= G236), S238 (≠ E237), V241 (≠ T240), E260 (= E258), L261 (= L259), C294 (= C297), F393 (= F400)
Query Sequence
>SMc02689 SMc02689 aldehyde dehydrogenase
MLHQKIVENPYKQKYGNFIGGEWREPVAGRYFDNTTPITGGTLCEVARSDAADIEIALDA
AHAAREKWGRTSTTERSNILMKIAARMEDNLELLARAETWDNGKPIRETMAADIPLAIDH
FRYFAACIRAQEGSIGEIDHDTVAYHFHEPLGVVGQIIPWNFPILMAAWKLAPALAAGNC
VVLKPAEQTPGSILVWAELIGDLLPPGVLNIVNGFGLEAGKPLATSPRIAKIAFTGETTT
GRLIMQYASQNLIPVTLELGGKSPNIFFADVASEDDDFFDKALEGFAMFALNQGEVCTCP
SRALVQESIYDRFMERAVKRVEAIRQGNPLDEATMIGAQASSEQLEKILAYIEIGKEEGA
EVLTGGGRNVLEGDLSGGYYVKPTVFHGHNRMRIFQEEIFGPVVSVTTFKTEAEALEIAN
DTLYGLGAGVWSRDANRCYRFGRAIEAGRVWTNCYHAYPAHAAFGGYKQSGIGRETHKMM
LDHYQQTKNMLVSYSPKALGFF
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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