SitesBLAST
Comparing AO356_27965 FitnessBrowser__pseudo5_N2C3_1:AO356_27965 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)
5ekcE Thermostable aldehyde dehydrogenase from pyrobaculum sp.1860 complexed with NADP+
37% identity, 96% coverage: 20:489/490 of query aligns to 13:484/490 of 5ekcE
- active site: N154 (= N159), K177 (= K182), E252 (= E257), C286 (= C291), E381 (= E385), E459 (≠ S463)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: I150 (= I155), T151 (≠ S156), P152 (= P157), W153 (≠ F158), K177 (= K182), S180 (≠ P185), G210 (≠ A216), G214 (= G219), F228 (= F233), G230 (= G235), E231 (≠ S236), T234 (≠ A239), N331 (= N335), R333 (= R337), Q334 (= Q338)
5ek6A Thermostable aldehyde dehydrogenase from pyrobaculum sp. 1860 complexed with NADP and isobutyraldehyde (see paper)
37% identity, 96% coverage: 20:489/490 of query aligns to 6:477/482 of 5ek6A
- active site: N147 (= N159), K170 (= K182), E245 (= E257), C279 (= C291), E374 (= E385), E452 (≠ S463)
- binding 2-methylpropanal: I152 (≠ L164), K155 (≠ R167), T222 (= T234), E245 (= E257), F441 (= F452)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: I143 (= I155), T144 (≠ S156), W146 (≠ F158), N147 (= N159), I152 (≠ L164), K170 (= K182), A172 (≠ D184), S173 (≠ P185), P202 (≠ A215), G203 (≠ A216), G207 (= G219), F221 (= F233), T222 (= T234), G223 (= G235), E224 (≠ S236), T227 (≠ A239), I231 (≠ V243), E245 (= E257), L246 (= L258), C279 (= C291), E374 (= E385)
4h73A Thermostable aldehyde dehydrogenase from pyrobaculum sp. Complexed with NADP+
37% identity, 96% coverage: 20:489/490 of query aligns to 6:477/482 of 4h73A
- active site: N147 (= N159), K170 (= K182), E245 (= E257), C279 (= C291), E374 (= E385), E452 (≠ S463)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I143 (= I155), T144 (≠ S156), P145 (= P157), W146 (≠ F158), K170 (= K182), A172 (≠ D184), S173 (≠ P185), G203 (≠ A216), G207 (= G219), F221 (= F233), G223 (= G235), E224 (≠ S236), T227 (≠ A239)
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)
36% identity, 98% coverage: 1:482/490 of query aligns to 26:512/518 of O94788
- E50 (vs. gap) to G: in dbSNP:rs34266719
- A110 (= A83) to V: in dbSNP:rs35365164
- Q182 (≠ V154) to K: in DIH4; decreased retinoic acid biosynthetic process
- IPW 184:186 (≠ SPF 156:158) binding
- KPAE 210:213 (≠ KPDP 182:185) binding
- STE 264:266 (≠ STG 236:238) binding
- C320 (= C291) active site, Nucleophile
- R347 (≠ M318) to H: in DIH4; decreased expression; dbSNP:rs141245344
- V348 (≠ T319) to I: in dbSNP:rs4646626
- KQYNK 366:370 (≠ RQLQR 337:341) binding
- A383 (= A354) to T: in DIH4; uncertain significance; dbSNP:rs749124508
- E417 (= E385) binding
- E436 (= E404) to K: in dbSNP:rs34744827
- S461 (≠ G429) 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)
37% identity, 96% coverage: 11:482/490 of query aligns to 8:486/492 of 6b5hA
- active site: N161 (= N159), E260 (= E257), C294 (= C291), E468 (≠ S463)
- binding 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide: V112 (vs. gap), G116 (≠ E114), F162 (= F160), W169 (≠ R167), Q284 (≠ W281), F288 (≠ L285), T295 (≠ M292), N449 (≠ T443), L451 (≠ D446), N452 (≠ E447), F457 (= F452)
- binding nicotinamide-adenine-dinucleotide: I157 (= I155), I158 (≠ S156), W160 (≠ F158), N161 (= N159), K184 (= K182), G217 (≠ A216), G221 (= G219), F235 (= F233), T236 (= T234), G237 (= G235), S238 (= S236), V241 (≠ A239), E260 (= E257), L261 (= L258), C294 (= C291), F393 (= F387)
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)
37% identity, 96% coverage: 11:482/490 of query aligns to 8:486/492 of 6b5gA
- active site: N161 (= N159), E260 (= E257), C294 (= C291), E468 (≠ S463)
- binding (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone: F162 (= F160), L165 (≠ V163), W169 (≠ R167), F288 (≠ L285), C293 (≠ I290), C294 (= C291), T295 (≠ M292), N449 (≠ T443), L451 (≠ D446)
- binding nicotinamide-adenine-dinucleotide: I157 (= I155), I158 (≠ S156), P159 (= P157), W160 (≠ F158), N161 (= N159), M166 (≠ L164), K184 (= K182), E187 (≠ P185), G217 (≠ A216), G221 (= G219), F235 (= F233), T236 (= T234), G237 (= G235), S238 (= S236), V241 (≠ A239), E260 (= E257), L261 (= L258), C294 (= C291), E391 (= E385), F393 (= F387)
6aljA Aldh1a2 liganded with NAD and compound win18,446 (see paper)
37% identity, 96% coverage: 11:482/490 of query aligns to 8:486/492 of 6aljA
- active site: N161 (= N159), E260 (= E257), C294 (= C291), E468 (≠ S463)
- binding N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide): G116 (≠ E114), F162 (= F160), L165 (≠ V163), M166 (≠ L164), W169 (≠ R167), E260 (= E257), C293 (≠ I290), C294 (= C291), L451 (≠ D446), N452 (≠ E447), A453 (≠ C448)
- binding nicotinamide-adenine-dinucleotide: I157 (= I155), I158 (≠ S156), P159 (= P157), W160 (≠ F158), N161 (= N159), K184 (= K182), E187 (≠ P185), G217 (≠ A216), G221 (= G219), F235 (= F233), G237 (= G235), S238 (= S236), V241 (≠ A239), Q341 (= Q338), K344 (≠ R341), E391 (= E385), F393 (= F387)
Q63639 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 Rattus norvegicus (Rat) (see paper)
36% identity, 98% coverage: 1:482/490 of query aligns to 26:512/518 of Q63639
5ac0A Ovis aries aldehyde dehydrogenase 1a1 in complex with a duocarmycin analog (see paper)
36% identity, 98% coverage: 3:482/490 of query aligns to 4:488/494 of 5ac0A
- active site: N163 (= N159), K186 (= K182), E262 (= E257), C296 (= C291), E393 (= E385), E470 (≠ S463)
- binding 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one: M114 (= M112), F164 (= F160), W171 (≠ R167), Y290 (≠ L285), C295 (≠ I290), C296 (= C291)
- binding nicotinamide-adenine-dinucleotide: I159 (= I155), I160 (≠ S156), P161 (= P157), W162 (≠ F158), K186 (= K182), E189 (≠ P185), G219 (≠ A216), G223 (= G219), A224 (≠ E220), F237 (= F233), G239 (= G235), S240 (= S236), V243 (≠ A239), G264 (= G259), C296 (= C291), Q343 (= Q338), K346 (≠ R341), E393 (= E385)
5abmA Sheep aldehyde dehydrogenase 1a1 (see paper)
36% identity, 98% coverage: 3:482/490 of query aligns to 4:488/494 of 5abmA
- active site: N163 (= N159), K186 (= K182), E262 (= E257), C296 (= C291), E393 (= E385), E470 (≠ S463)
- 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 (= I155), I160 (≠ S156), P161 (= P157), W162 (≠ F158), K186 (= K182), E189 (≠ P185), G219 (≠ A216), G223 (= G219), F237 (= F233), G239 (= G235), S240 (= S236), V243 (≠ A239), G264 (= G259), Q343 (= Q338), K346 (≠ R341), E393 (= E385), F395 (= F387)
1bxsA Sheep liver class 1 aldehyde dehydrogenase with NAD bound (see paper)
36% identity, 98% coverage: 3:482/490 of query aligns to 4:488/494 of 1bxsA
- active site: N163 (= N159), K186 (= K182), E262 (= E257), C296 (= C291), E393 (= E385), E470 (≠ S463)
- binding nicotinamide-adenine-dinucleotide: I159 (= I155), I160 (≠ S156), P161 (= P157), W162 (≠ F158), K186 (= K182), E189 (≠ P185), G219 (≠ A216), G223 (= G219), F237 (= F233), G239 (= G235), S240 (= S236), V243 (≠ A239), L263 (= L258), C296 (= C291), Q343 (= Q338), K346 (≠ R341), E393 (= E385), F395 (= F387)
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)
36% identity, 98% coverage: 3:482/490 of query aligns to 11:495/501 of P51977
P00352 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 Homo sapiens (Human) (see 7 papers)
37% identity, 96% coverage: 15:482/490 of query aligns to 21:495/501 of P00352
- N121 (vs. gap) to S: in dbSNP:rs1049981
- IPWN 167:170 (≠ SPFN 156:159) binding
- I177 (≠ M166) to F: in dbSNP:rs8187929
- KPAE 193:196 (≠ KPDP 182:185) binding
- GP 226:227 (≠ A- 216) binding
- GS 246:247 (= GS 235:236) binding
- E269 (= E257) active site, Proton acceptor
- ELG 269:271 (= ELG 257:259) binding
- C302 (≠ I290) mutation C->A,S: Does not prevent inhibition by duocarmycin analogs.
- C303 (= C291) active site, Nucleophile
- EQYDK 349:353 (≠ RQLQR 337:341) binding
- EIF 400:402 (≠ EVF 385:387) binding
- G458 (vs. gap) mutation to N: No significant effect on aldehyde dehydrogenase activity. Prevents the inhibition by ALDH1A1-specific inhibitors.
Sites not aligning to the query:
- 1 modified: Initiator methionine, Removed
- 2 modified: N-acetylserine
- 336:501 Mediates interaction with PRMT3
7um9A Human aldh1a1 with bound compound cm38 (see paper)
37% identity, 96% coverage: 15:482/490 of query aligns to 14:488/494 of 7um9A
- binding nicotinamide-adenine-dinucleotide: I159 (= I155), I160 (≠ S156), P161 (= P157), W162 (≠ F158), N163 (= N159), K186 (= K182), E189 (≠ P185), G219 (≠ A216), G223 (= G219), F237 (= F233), T238 (= T234), G239 (= G235), S240 (= S236), V243 (≠ A239), E262 (= E257), G264 (= G259), Q343 (= Q338), K346 (≠ R341), E393 (= E385), F395 (= F387)
- binding (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone: W171 (≠ R167), H286 (≠ W281), Y290 (≠ L285), I297 (≠ M292), G451 (vs. gap)
5l2oA Crystal structure of aldh1a1 in complex with buc22 (see paper)
37% identity, 96% coverage: 15:482/490 of query aligns to 14:488/494 of 5l2oA
5l2nA Structure of aldh1a1 in complex with buc25 (see paper)
37% identity, 96% coverage: 15:482/490 of query aligns to 14:488/494 of 5l2nA
- active site: N163 (= N159), K186 (= K182), E262 (= E257), C296 (= C291), E393 (= E385), E470 (≠ S463)
- binding 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate: F164 (= F160), M168 (≠ L164), W171 (≠ R167), H286 (≠ W281), G287 (= G282), Y290 (≠ L285), C295 (≠ I290), C296 (= C291), I297 (≠ M292), Y450 (≠ Q442), G451 (vs. gap), V453 (= V444), F459 (= F452)
5l2mA Structure of aldh1a1 in complex with buc11 (see paper)
37% identity, 96% coverage: 15:482/490 of query aligns to 14:488/494 of 5l2mA
- active site: N163 (= N159), K186 (= K182), E262 (= E257), C296 (= C291), E393 (= E385), E470 (≠ S463)
- binding 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one: F164 (= F160), F283 (≠ N278), H286 (≠ W281), Y290 (≠ L285)
4wpnA Structure of human aldh1a1 with inhibitor cm053 (see paper)
37% identity, 96% coverage: 15:482/490 of query aligns to 14:488/494 of 4wpnA
- active site: N163 (= N159), K186 (= K182), E262 (= E257), C296 (= C291), E393 (= E385), E470 (≠ S463)
- binding 1-{[1,3-dimethyl-7-(3-methylbutyl)-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]methyl}piperidine-4-carboxamide: F164 (= F160), H286 (≠ W281), G287 (= G282), Y290 (≠ L285), C295 (≠ I290), I297 (≠ M292), G451 (vs. gap), V453 (= V444)
7jwwA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
37% identity, 96% coverage: 15:482/490 of query aligns to 14:488/494 of 7jwwA
- active site: N163 (= N159), K186 (= K182), E262 (= E257), C296 (= C291), E393 (= E385), E470 (≠ S463)
- 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 (≠ E114), T122 (≠ L118), F164 (= F160), M168 (≠ L164), Y290 (≠ L285), C295 (≠ I290), C296 (= C291), I297 (≠ M292), V453 (= V444), F459 (= F452)
7jwvA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
37% identity, 96% coverage: 15:482/490 of query aligns to 14:488/494 of 7jwvA
- active site: N163 (= N159), K186 (= K182), E262 (= E257), C296 (= C291), E393 (= E385), E470 (≠ S463)
- binding 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ E114), T122 (≠ L118), F164 (= F160), M168 (≠ L164), Y290 (≠ L285), C295 (≠ I290), I297 (≠ M292), V453 (= V444), F459 (= F452)
Query Sequence
>AO356_27965 FitnessBrowser__pseudo5_N2C3_1:AO356_27965
MSAPKSHLLSQVIESECVFNGDWVPASGPLQSIIEPATGERLMRCAMADSADIAKASRDA
ALAQPAWAALGPRQRAAIFRKAADVAEQSFDELALYVARETGAALFKGQHEMREAIVLLH
QAAGLLSQAHGVVLPSEAGRLSYARRQPHGVVGVISPFNFPLVLSMRSVAPALAAGNAVV
LKPDPQTPVSGGFLIARLFEVAGLPKGLLQVLPGAADAGEALCRDPNVRMIAFTGSTGAG
RKVAEVAGRNLKKVALELGGKNPLIILEDADLDLAARNAAWGAWLHQGQICMATGLILAH
ESIAAELTRKLVEKAQAMTLGNAAREEAAMGPLINQRQLQRVHDIVSDTVLAGARLEAGG
DHDRLFYQATVLSGVKPGMRAFDEEVFGPVATVVSFATDDEAIELANRTEYGLAAAIISP
SVGRAMAIGERLQCGMLHINDQTVADECVNPFGGRGASGNGGSVGGPADWDEYTQWQWVT
VKDTAPIYPF
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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