SitesBLAST
Comparing SMa0796 FitnessBrowser__Smeli:SMa0796 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)
4o6rA Crystal structure of a putative aldehyde dehydrogenase from burkholderia cenocepacia
43% identity, 99% coverage: 5:484/487 of query aligns to 5:487/489 of 4o6rA
- active site: N150 (= N150), K173 (= K173), E248 (= E248), C282 (= C282), E383 (= E379), E460 (= E456)
- binding adenosine monophosphate: I146 (≠ V146), V147 (= V147), K173 (= K173), G206 (= G206), G210 (= G210), Q211 (≠ A211), F224 (= F224), G226 (= G226), S227 (≠ G227), T230 (= T230), R233 (≠ H233)
5gtlA NADPH complex structure of aldehyde dehydrogenase from bacillus cereus
42% identity, 97% coverage: 2:474/487 of query aligns to 15:489/491 of 5gtlA
- active site: N165 (= N150), K188 (= K173), E263 (= E248), C297 (= C282), E394 (= E379), E471 (= E456)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (≠ V146), P163 (= P148), K188 (= K173), A190 (≠ S175), E191 (= E176), Q192 (≠ D177), G221 (= G206), G225 (= G210), G241 (= G226), S242 (≠ G227), T245 (= T230), L264 (= L249), C297 (= C282), E394 (= E379), F396 (= F381)
5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
42% identity, 97% coverage: 2:474/487 of query aligns to 15:489/491 of 5gtkA
- active site: N165 (= N150), K188 (= K173), E263 (= E248), C297 (= C282), E394 (= E379), E471 (= E456)
- binding nicotinamide-adenine-dinucleotide: I161 (≠ V146), I162 (≠ V147), P163 (= P148), W164 (= W149), K188 (= K173), E191 (= E176), G221 (= G206), G225 (= G210), A226 (= A211), F239 (= F224), G241 (= G226), S242 (≠ G227), T245 (= T230), Y248 (≠ H233), L264 (= L249), C297 (= C282), Q344 (= Q329), R347 (≠ H332), E394 (= E379), F396 (= F381)
4go4A Crystal structure of pnpe in complex with nicotinamide adenine dinucleotide
43% identity, 97% coverage: 5:475/487 of query aligns to 4:477/487 of 4go4A
- active site: N149 (= N150), K172 (= K173), E247 (= E248), C281 (= C282), E381 (= E379), E458 (= E456)
- binding nicotinamide-adenine-dinucleotide: I145 (≠ V146), V146 (= V147), W148 (= W149), N149 (= N150), F154 (≠ L155), K172 (= K173), G205 (= G206), G209 (= G210), Q210 (≠ A211), F223 (= F224), T224 (= T225), G225 (= G226), S226 (≠ G227), T229 (= T230), E247 (= E248), G249 (= G250), C281 (= C282), E381 (= E379), F383 (= F381)
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)
39% identity, 98% coverage: 5:479/487 of query aligns to 21:499/501 of Q56YU0
- G152 (≠ V133) mutation to E: In ref1-7; reduced activity on sinapaldehyde.
- G416 (≠ A396) mutation to R: In ref1-6; reduced activity on sinapaldehyde.
7radA Crystal structure analysis of aldh1b1
42% identity, 97% coverage: 5:474/487 of query aligns to 14:487/493 of 7radA
- binding nicotinamide-adenine-dinucleotide: I158 (≠ V146), I159 (≠ V147), P160 (= P148), W161 (= W149), N162 (= N150), M167 (≠ L155), K185 (= K173), E188 (= E176), G218 (= G206), G222 (= G210), A223 (= A211), T237 (= T225), G238 (= G226), S239 (≠ G227), V242 (≠ T230), E261 (= E248), L262 (= L249), C295 (= C282), E392 (= E379), F394 (= F381)
- binding 3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine: L113 (vs. gap), E117 (≠ Y104), F163 (≠ S151), E285 (≠ A272), F289 (≠ A276), N450 (≠ R437), V452 (= V439)
7mjdA Crystal structure analysis of aldh1b1
42% identity, 97% coverage: 5:474/487 of query aligns to 14:487/493 of 7mjdA
- binding nicotinamide-adenine-dinucleotide: I158 (≠ V146), I159 (≠ V147), P160 (= P148), W161 (= W149), N162 (= N150), M167 (≠ L155), K185 (= K173), E188 (= E176), G218 (= G206), G222 (= G210), F236 (= F224), T237 (= T225), G238 (= G226), S239 (≠ G227), V242 (≠ T230), E261 (= E248), L262 (= L249), C295 (= C282), E392 (= E379), F394 (= F381)
- binding 8-(2-methoxyphenyl)-10-(4-phenylphenyl)-1$l^{4},8-diazabicyclo[5.3.0]deca-1(7),9-diene: E117 (≠ Y104), E285 (≠ A272), F289 (≠ A276), N450 (≠ R437), V452 (= V439)
7mjcA Crystal structure analysis of aldh1b1
42% identity, 97% coverage: 5:474/487 of query aligns to 14:487/493 of 7mjcA
- binding nicotinamide-adenine-dinucleotide: I158 (≠ V146), I159 (≠ V147), P160 (= P148), W161 (= W149), N162 (= N150), K185 (= K173), E188 (= E176), G218 (= G206), G222 (= G210), T237 (= T225), G238 (= G226), S239 (≠ G227), V242 (≠ T230), E261 (= E248), L262 (= L249), C295 (= C282), E392 (= E379), F394 (= F381)
4pxlA Structure of zm aldh2-3 (rf2c) in complex with NAD (see paper)
41% identity, 96% coverage: 3:471/487 of query aligns to 4:476/486 of 4pxlA
- active site: N154 (= N150), K177 (= K173), E253 (= E248), C287 (= C282), E384 (= E379), D461 (≠ E456)
- binding nicotinamide-adenine-dinucleotide: I150 (≠ V146), V151 (= V147), P152 (= P148), W153 (= W149), K177 (= K173), E180 (= E176), G210 (= G206), G214 (= G210), A215 (= A211), F228 (= F224), G230 (= G226), S231 (≠ G227), V234 (≠ T230), E253 (= E248), G255 (= G250), C287 (= C282), Q334 (= Q329), K337 (≠ H332), E384 (= E379), F386 (= F381)
1o9jA The x-ray crystal structure of eta-crystallin (see paper)
41% identity, 98% coverage: 1:477/487 of query aligns to 11:491/494 of 1o9jA
- active site: N163 (= N150), K186 (= K173), E262 (= E248), C296 (= C282), E393 (= E379), E470 (= E456)
- binding nicotinamide-adenine-dinucleotide: I159 (≠ V146), F160 (≠ V147), P161 (= P148), W162 (= W149), N163 (= N150), K186 (= K173), E189 (= E176), G219 (= G206), G223 (= G210), F237 (= F224), T238 (= T225), G239 (= G226), S240 (≠ G227), V243 (≠ T230), E262 (= E248), L263 (= L249), C296 (= C282), E393 (= E379), F395 (= F381), L421 (= L407)
Q28399 Aldehyde dehydrogenase, cytosolic 1; ALDH class 1; ETA-crystallin; EC 1.2.1.3 from Elephantulus edwardii (Cape long-eared elephant shrew) (see paper)
41% identity, 98% coverage: 1:477/487 of query aligns to 18:498/501 of Q28399
P47895 Retinaldehyde dehydrogenase 3; RALDH-3; RalDH3; Aldehyde dehydrogenase 6; Aldehyde dehydrogenase family 1 member A3; ALDH1A3; EC 1.2.1.36 from Homo sapiens (Human) (see 2 papers)
41% identity, 97% coverage: 7:477/487 of query aligns to 35:509/512 of P47895
- R89 (≠ S58) to C: in MCOP8; does not affect ALDH1A3 expression; results in strongly reduced protein levels; dbSNP:rs397514652
- K204 (= K173) binding
- E207 (= E176) binding
- GSTEVG 257:262 (≠ GGPETA 226:231) binding
- Q361 (= Q329) binding
- E411 (= E379) binding
- A493 (= A461) to P: in MCOP8; does not affect ALDH1A3 expression; results in strongly reduced protein levels; dbSNP:rs397514653
Sites not aligning to the query:
- 1 modified: Initiator methionine, Removed
- 2 modified: N-acetylalanine
7a6qB Crystal structure of human aldehyde dehydrogenase 1a3 in complex with selective nr6 inhibitor compound (see paper)
41% identity, 96% coverage: 7:474/487 of query aligns to 17:488/489 of 7a6qB
- active site: N163 (= N150), E262 (= E248), C296 (= C282), E470 (= E456)
- binding nicotinamide-adenine-dinucleotide: I159 (≠ V146), W162 (= W149), K186 (= K173), E189 (= E176), G219 (= G206), G223 (= G210), S240 (≠ G227), V243 (≠ T230), K342 (≠ R328)
- binding (3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium: A32 (≠ E20), T33 (≠ S21), C34 (≠ I22), P36 (= P24), D103 (= D90), E189 (= E176), Q190 (≠ D177), F218 (= F205), I339 (≠ A325), D340 (≠ T326)
- binding 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile: G118 (≠ Y104), D141 (= D127), N143 (≠ D130), N451 (≠ R437), L453 (≠ V439), A455 (≠ P441)
7a6qA Crystal structure of human aldehyde dehydrogenase 1a3 in complex with selective nr6 inhibitor compound (see paper)
41% identity, 96% coverage: 7:474/487 of query aligns to 17:488/489 of 7a6qA
- active site: N163 (= N150), E262 (= E248), C296 (= C282), E470 (= E456)
- binding nicotinamide-adenine-dinucleotide: I159 (≠ V146), T160 (≠ V147), W162 (= W149), K186 (= K173), A188 (≠ S175), E189 (= E176), G219 (= G206), G223 (= G210), S240 (≠ G227), V243 (≠ T230), K342 (≠ R328), K346 (≠ H332)
- binding 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile: G118 (≠ Y104), D141 (= D127), N143 (≠ D130), N451 (≠ R437), L453 (≠ V439), Y454 (≠ S440)
5fhzA Human aldehyde dehydrogenase 1a3 complexed with NAD(+) and retinoic acid (see paper)
41% identity, 96% coverage: 7:474/487 of query aligns to 17:488/489 of 5fhzA
- active site: N163 (= N150), K186 (= K173), E262 (= E248), C296 (= C282), E393 (= E379), E470 (= E456)
- binding nicotinamide-adenine-dinucleotide: I159 (≠ V146), T160 (≠ V147), W162 (= W149), K186 (= K173), E189 (= E176), G219 (= G206), G223 (= G210), F237 (= F224), G239 (= G226), S240 (≠ G227), T241 (≠ P228), V243 (≠ T230), G264 (= G250), Q343 (= Q329), E393 (= E379)
- binding retinoic acid: G118 (≠ Y104), R121 (≠ D107), F164 (≠ S151), M168 (≠ L155), W171 (≠ V158), C295 (≠ S281), C296 (= C282), L453 (≠ V439)
7qk9A Crystal structure of the aldh1a3-atp complex (see paper)
41% identity, 96% coverage: 7:474/487 of query aligns to 16:487/489 of 7qk9A
- binding adenosine-5'-triphosphate: I158 (≠ V146), T159 (≠ V147), P160 (= P148), W161 (= W149), K185 (= K173), E188 (= E176), G218 (= G206), G222 (= G210), F236 (= F224), S239 (≠ G227), V242 (≠ T230)
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)
40% identity, 97% coverage: 5:474/487 of query aligns to 39:512/518 of O94788
- E50 (= E16) to G: in dbSNP:rs34266719
- A110 (= A73) to V: in dbSNP:rs35365164
- Q182 (≠ M145) to K: in DIH4; decreased retinoic acid biosynthetic process
- IPW 184:186 (≠ VPW 147:149) binding
- KPAE 210:213 (≠ KASE 173:176) binding
- STE 264:266 (≠ GPE 227:229) binding
- C320 (= C282) active site, Nucleophile
- R347 (≠ I309) to H: in DIH4; decreased expression; dbSNP:rs141245344
- V348 (≠ R310) to I: in dbSNP:rs4646626
- KQYNK 366:370 (≠ RQSNH 328:332) binding
- A383 (= A345) to T: in DIH4; uncertain significance; dbSNP:rs749124508
- E417 (= E379) binding
- E436 (≠ H398) to K: in dbSNP:rs34744827
- S461 (≠ M423) 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)
40% identity, 97% coverage: 5:474/487 of query aligns to 13:486/492 of 6b5hA
- active site: N161 (= N150), E260 (= E248), C294 (= C282), E468 (= E456)
- binding 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide: V112 (≠ S100), G116 (≠ Y104), F162 (≠ S151), W169 (≠ V158), Q284 (≠ A272), F288 (≠ A276), T295 (≠ V283), N449 (≠ R437), L451 (≠ V439), N452 (≠ S440), F457 (= F445)
- binding nicotinamide-adenine-dinucleotide: I157 (≠ V146), I158 (≠ V147), W160 (= W149), N161 (= N150), K184 (= K173), G217 (= G206), G221 (= G210), F235 (= F224), T236 (= T225), G237 (= G226), S238 (≠ G227), V241 (≠ T230), E260 (= E248), L261 (= L249), C294 (= C282), F393 (= F381)
6b5gA Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) (see paper)
40% identity, 97% coverage: 5:474/487 of query aligns to 13:486/492 of 6b5gA
- active site: N161 (= N150), E260 (= E248), C294 (= C282), E468 (= E456)
- binding (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone: F162 (≠ S151), L165 (≠ F154), W169 (≠ V158), F288 (≠ A276), C293 (≠ S281), C294 (= C282), T295 (≠ V283), N449 (≠ R437), L451 (≠ V439)
- binding nicotinamide-adenine-dinucleotide: I157 (≠ V146), I158 (≠ V147), P159 (= P148), W160 (= W149), N161 (= N150), M166 (≠ L155), K184 (= K173), E187 (= E176), G217 (= G206), G221 (= G210), F235 (= F224), T236 (= T225), G237 (= G226), S238 (≠ G227), V241 (≠ T230), E260 (= E248), L261 (= L249), C294 (= C282), E391 (= E379), F393 (= F381)
6aljA Aldh1a2 liganded with NAD and compound win18,446 (see paper)
40% identity, 97% coverage: 5:474/487 of query aligns to 13:486/492 of 6aljA
- active site: N161 (= N150), E260 (= E248), C294 (= C282), E468 (= E456)
- binding N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide): G116 (≠ Y104), F162 (≠ S151), L165 (≠ F154), M166 (≠ L155), W169 (≠ V158), E260 (= E248), C293 (≠ S281), C294 (= C282), L451 (≠ V439), N452 (≠ S440), A453 (≠ P441)
- binding nicotinamide-adenine-dinucleotide: I157 (≠ V146), I158 (≠ V147), P159 (= P148), W160 (= W149), N161 (= N150), K184 (= K173), E187 (= E176), G217 (= G206), G221 (= G210), F235 (= F224), G237 (= G226), S238 (≠ G227), V241 (≠ T230), Q341 (= Q329), K344 (≠ H332), E391 (= E379), F393 (= F381)
Query Sequence
>SMa0796 FitnessBrowser__Smeli:SMa0796
MQRFQCYINGEFADGEARFESIDPTTGRAWAEMPEAREADVNRAVEAARIALHDQPWSTL
TATQRGKLLYKLADLVAENAGRLAELETRDTGKIIRETSSQIAYVADYYRYYAGIADKIE
GSYLPIDKPDMDVWLRREPIGVVAMVVPWNSQLFLSAVKIGPALAAGCTMVVKASEDGPA
PLLEFARLVHAAGFPAGVVNIVTGFGPSCGAALSRHPQVDHIAFTGGPETARHIVRNSAE
NLASTSLELGGKSPFIVFADADLESAANAQIAGIFAATGQSCVAGSRLIVEKSVKDRFLQ
ILKAKAETIRIGSPLEMSTEVGPLATERQSNHVKTLVARSLAAGAKLVTGGTAPEGAGFY
YRPTILDCDGSASPSLENEFFGPVLSVLSFETEAEALHLANDSRFGLAAGVFTQNLTRAH
RLMKGIRAGIVWVNTYRAVSPVAPFGGFGLSGHGREGGLEAALDYTRSKTVWLRTSDDPI
PDPFVMR
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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