SitesBLAST
Comparing RR42_RS25010 FitnessBrowser__Cup4G11:RR42_RS25010 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)
5gtlA NADPH complex structure of aldehyde dehydrogenase from bacillus cereus
48% identity, 97% coverage: 14:485/485 of query aligns to 18:490/491 of 5gtlA
- active site: N165 (= N160), K188 (= K183), E263 (= E258), C297 (= C292), E394 (= E389), E471 (= E466)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (= I156), P163 (= P158), K188 (= K183), A190 (= A185), E191 (= E186), Q192 (≠ L187), G221 (= G216), G225 (= G220), G241 (= G236), S242 (= S237), T245 (≠ I240), L264 (= L259), C297 (= C292), E394 (= E389), F396 (= F391)
5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
48% identity, 97% coverage: 14:485/485 of query aligns to 18:490/491 of 5gtkA
- active site: N165 (= N160), K188 (= K183), E263 (= E258), C297 (= C292), E394 (= E389), E471 (= E466)
- binding nicotinamide-adenine-dinucleotide: I161 (= I156), I162 (= I157), P163 (= P158), W164 (= W159), K188 (= K183), E191 (= E186), G221 (= G216), G225 (= G220), A226 (= A221), F239 (= F234), G241 (= G236), S242 (= S237), T245 (≠ I240), Y248 (≠ Q243), L264 (= L259), C297 (= C292), Q344 (= Q339), R347 (= R342), E394 (= E389), F396 (= F391)
O14293 Putative aldehyde dehydrogenase-like protein C9E9.09c; EC 1.2.1.- from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
49% identity, 98% coverage: 12:485/485 of query aligns to 22:497/503 of O14293
- S248 (= S237) modified: Phosphoserine
Sites not aligning to the query:
- 501 modified: Phosphoserine
5teiA Structure of human aldh1a1 with inhibitor cm039
49% identity, 97% coverage: 14:485/485 of query aligns to 14:488/493 of 5teiA
- active site: N162 (= N160), K185 (= K183), E261 (= E258), C295 (= C292), E392 (= E389), E469 (= E466)
- binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: S113 (≠ A113), F163 (≠ V161), H285 (≠ K282), G286 (≠ T283), Y289 (≠ G286), C295 (= C292), G450 (= G447), V452 (≠ A449), F458 (= F455)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I156), I159 (= I157), P160 (= P158), W161 (= W159), N162 (= N160), K185 (= K183), E188 (= E186), G218 (= G216), G222 (= G220), A223 (= A221), F236 (= F234), T237 (= T235), G238 (= G236), S239 (= S237), V242 (≠ I240), C295 (= C292), Q342 (= Q339), K345 (≠ R342), E392 (= E389), F394 (= F391)
4x4lA Structure of human aldh1a1 with inhibitor cm037 (see paper)
49% identity, 97% coverage: 14:485/485 of query aligns to 14:488/493 of 4x4lA
- active site: N162 (= N160), K185 (= K183), E261 (= E258), C295 (= C292), E392 (= E389), E469 (= E466)
- binding ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate: S113 (≠ A113), M167 (= M165), W170 (≠ I168), Y289 (≠ G286), G450 (= G447), F458 (= F455)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I156), I159 (= I157), P160 (= P158), W161 (= W159), K185 (= K183), E188 (= E186), G218 (= G216), G222 (= G220), F236 (= F234), T237 (= T235), G238 (= G236), S239 (= S237), V242 (≠ I240), C295 (= C292), Q342 (= Q339), K345 (≠ R342), E392 (= E389), F394 (= F391)
7jwwA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
49% identity, 97% coverage: 14:485/485 of query aligns to 15:489/494 of 7jwwA
- active site: N163 (= N160), K186 (= K183), E262 (= E258), C296 (= C292), E393 (= E389), E470 (= E466)
- 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 (≠ A117), T122 (vs. gap), F164 (≠ V161), M168 (= M165), Y290 (≠ G286), C295 (≠ V291), C296 (= C292), I297 (≠ S293), V453 (≠ A449), F459 (= F455)
7jwvA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
49% identity, 97% coverage: 14:485/485 of query aligns to 15:489/494 of 7jwvA
- active site: N163 (= N160), K186 (= K183), E262 (= E258), C296 (= C292), E393 (= E389), E470 (= E466)
- binding 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ A117), T122 (vs. gap), F164 (≠ V161), M168 (= M165), Y290 (≠ G286), C295 (≠ V291), I297 (≠ S293), V453 (≠ A449), F459 (= F455)
7jwuA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
49% identity, 97% coverage: 14:485/485 of query aligns to 15:489/494 of 7jwuA
- active site: N163 (= N160), K186 (= K183), E262 (= E258), C296 (= C292), E393 (= E389), E470 (= E466)
- binding nicotinamide-adenine-dinucleotide: I159 (= I156), I160 (= I157), P161 (= P158), W162 (= W159), N163 (= N160), K186 (= K183), E189 (= E186), G219 (= G216), G223 (= G220), A224 (= A221), F237 (= F234), T238 (= T235), G239 (= G236), S240 (= S237), V243 (≠ I240), L263 (= L259), C296 (= C292), Q343 (= Q339), K346 (≠ R342), E393 (= E389), F395 (= F391)
- 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 (vs. gap), F164 (≠ V161), W171 (≠ I168), Y290 (≠ G286), C295 (≠ V291), I297 (≠ S293), V453 (≠ A449), F459 (= F455)
7jwtA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
49% identity, 97% coverage: 14:485/485 of query aligns to 15:489/494 of 7jwtA
- active site: N163 (= N160), K186 (= K183), E262 (= E258), C296 (= C292), E393 (= E389), E470 (= E466)
- binding 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ A117), T122 (vs. gap), F164 (≠ V161), M168 (= M165), W171 (≠ I168), Y290 (≠ G286), C295 (≠ V291), V453 (≠ A449), F459 (= F455)
7jwsA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
49% identity, 97% coverage: 14:485/485 of query aligns to 15:489/494 of 7jwsA
- active site: N163 (= N160), K186 (= K183), E262 (= E258), C296 (= C292), E393 (= E389), E470 (= E466)
- binding 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ A117), T122 (vs. gap), F164 (≠ V161), M168 (= M165), W171 (≠ I168), Y290 (≠ G286), C295 (≠ V291), I297 (≠ S293), V453 (≠ A449), F459 (= F455)
6dumA Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) (see paper)
49% identity, 97% coverage: 14:485/485 of query aligns to 15:489/494 of 6dumA
- active site: N163 (= N160), K186 (= K183), E262 (= E258), C296 (= C292), E393 (= E389), E470 (= E466)
- binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ A117), T122 (vs. gap), F164 (≠ V161), M168 (= M165), W171 (≠ I168), H286 (≠ K282), Y290 (≠ G286), C295 (≠ V291), C296 (= C292), I297 (≠ S293), G451 (= G447), V453 (≠ A449), F459 (= F455)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I159 (= I156), I160 (= I157), P161 (= P158), W162 (= W159), N163 (= N160), K186 (= K183), E189 (= E186), G219 (= G216), P220 (≠ A217), G223 (= G220), A224 (= A221), F237 (= F234), T238 (= T235), G239 (= G236), S240 (= S237), V243 (≠ I240), L263 (= L259), C296 (= C292), Q343 (= Q339), K346 (≠ R342), E393 (= E389), F395 (= F391)
4wp7A Structure of human aldh1a1 with inhibitor cm026 (see paper)
49% identity, 97% coverage: 14:485/485 of query aligns to 15:489/494 of 4wp7A
- active site: N163 (= N160), K186 (= K183), E262 (= E258), C296 (= C292), E393 (= E389), E470 (= E466)
- binding 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione: G118 (≠ A117), T122 (vs. gap), F164 (≠ V161), G287 (≠ T283), Y290 (≠ G286), C295 (≠ V291), I297 (≠ S293), G451 (= G447), V453 (≠ A449), A455 (≠ P451)
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)
49% identity, 97% coverage: 14:485/485 of query aligns to 22:496/501 of P00352
- N121 (≠ A113) to S: in dbSNP:rs1049981
- IPWN 167:170 (= IPWN 157:160) binding
- I177 (≠ S167) to F: in dbSNP:rs8187929
- KPAE 193:196 (= KPAE 183:186) binding
- GP 226:227 (≠ GA 216:217) binding
- GS 246:247 (= GS 236:237) binding
- E269 (= E258) active site, Proton acceptor
- ELG 269:271 (= ELG 258:260) binding
- C302 (≠ V291) mutation C->A,S: Does not prevent inhibition by duocarmycin analogs.
- C303 (= C292) active site, Nucleophile
- EQYDK 349:353 (≠ KQRDR 338:342) binding
- EIF 400:402 (= EIF 389:391) binding
- G458 (= G447) 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)
49% identity, 97% coverage: 14:485/485 of query aligns to 15:489/494 of 7um9A
- binding nicotinamide-adenine-dinucleotide: I159 (= I156), I160 (= I157), P161 (= P158), W162 (= W159), N163 (= N160), K186 (= K183), E189 (= E186), G219 (= G216), G223 (= G220), F237 (= F234), T238 (= T235), G239 (= G236), S240 (= S237), V243 (≠ I240), E262 (= E258), G264 (= G260), Q343 (= Q339), K346 (≠ R342), E393 (= E389), F395 (= F391)
- binding (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone: W171 (≠ I168), H286 (≠ K282), Y290 (≠ G286), I297 (≠ S293), G451 (= G447)
5l2oA Crystal structure of aldh1a1 in complex with buc22 (see paper)
49% identity, 97% coverage: 14:485/485 of query aligns to 15:489/494 of 5l2oA
5l2nA Structure of aldh1a1 in complex with buc25 (see paper)
49% identity, 97% coverage: 14:485/485 of query aligns to 15:489/494 of 5l2nA
- active site: N163 (= N160), K186 (= K183), E262 (= E258), C296 (= C292), E393 (= E389), E470 (= E466)
- binding 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate: F164 (≠ V161), M168 (= M165), W171 (≠ I168), H286 (≠ K282), G287 (≠ T283), Y290 (≠ G286), C295 (≠ V291), C296 (= C292), I297 (≠ S293), Y450 (= Y446), G451 (= G447), V453 (≠ A449), F459 (= F455)
5l2mA Structure of aldh1a1 in complex with buc11 (see paper)
49% identity, 97% coverage: 14:485/485 of query aligns to 15:489/494 of 5l2mA
- active site: N163 (= N160), K186 (= K183), E262 (= E258), C296 (= C292), E393 (= E389), E470 (= E466)
- binding 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one: F164 (≠ V161), F283 (≠ A279), H286 (≠ K282), Y290 (≠ G286)
4wpnA Structure of human aldh1a1 with inhibitor cm053 (see paper)
49% identity, 97% coverage: 14:485/485 of query aligns to 15:489/494 of 4wpnA
- active site: N163 (= N160), K186 (= K183), E262 (= E258), C296 (= C292), E393 (= E389), E470 (= E466)
- 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 (≠ V161), H286 (≠ K282), G287 (≠ T283), Y290 (≠ G286), C295 (≠ V291), I297 (≠ S293), G451 (= G447), V453 (≠ A449)
4wb9A Human aldh1a1 complexed with nadh (see paper)
49% identity, 97% coverage: 14:485/485 of query aligns to 14:488/493 of 4wb9A
- active site: N162 (= N160), K185 (= K183), E261 (= E258), C295 (= C292), E392 (= E389), E469 (= E466)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I156), I159 (= I157), P160 (= P158), W161 (= W159), N162 (= N160), K185 (= K183), E188 (= E186), G218 (= G216), G222 (= G220), F236 (= F234), T237 (= T235), G238 (= G236), S239 (= S237), V242 (≠ I240), G263 (= G260), C295 (= C292), Q342 (= Q339), K345 (≠ R342), E392 (= E389), F394 (= F391)
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)
49% identity, 97% coverage: 14:485/485 of query aligns to 39:513/518 of O94788
- E50 (≠ A25) to G: in dbSNP:rs34266719
- A110 (= A84) to V: in dbSNP:rs35365164
- Q182 (= Q155) to K: in DIH4; decreased retinoic acid biosynthetic process
- IPW 184:186 (= IPW 157:159) binding
- KPAE 210:213 (= KPAE 183:186) binding
- STE 264:266 (≠ STA 237:239) binding
- C320 (= C292) active site, Nucleophile
- R347 (≠ Y319) to H: in DIH4; decreased expression; dbSNP:rs141245344
- V348 (≠ T320) to I: in dbSNP:rs4646626
- KQYNK 366:370 (≠ KQRDR 338:342) binding
- A383 (= A355) to T: in DIH4; uncertain significance; dbSNP:rs749124508
- E417 (= E389) binding
- E436 (≠ F408) to K: in dbSNP:rs34744827
- S461 (≠ A433) to Y: in DIH4; decreased retinoic acid biosynthetic process
Query Sequence
>RR42_RS25010 FitnessBrowser__Cup4G11:RR42_RS25010
MARALAWIGSGPKRLLIGGRWVEAASGKTFEVINPSTEELLCHVAEANSADIDAAVAAAR
HAFDNSSWVGMSPHARTRALLRIADQIDRHADELAAIETLDNGMPLWFSTAVATTAADIF
RYYGGWCTKILGSTIPSDASGFVYTLREPLGVCGQIIPWNVPILMASIKLANALCCGNTL
ILKPAELACLTSLRLAELIQETDLPPGVINMLPGFGATAGAALALHPDVDKIAFTGSTAI
GKQIVQASTSNLKKVTLELGGKSPNVIFADADLDKAVQAAVKTFCGNSGQVCSAGTRLFV
HESVHDEVSERVTRLAATYTVGDPLAPDTKLGPLISAKQRDRVLSYIEAGQAGGASLQLG
GSQWSGRGYFVAPAVFDGVTNGMRIAQEEIFGPVLSIIPFRDEDDAVFKGNDTTYGLSAA
VWTRDVARAHKVARALKAGRVWINTYGEADPAMPFGGYKQSGWGREFGQESIDAYTQVKA
VMLRM
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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