SitesBLAST
Comparing 3608018 FitnessBrowser__Dino:3608018 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)
7qk9A Crystal structure of the aldh1a3-atp complex (see paper)
37% identity, 94% coverage: 30:483/484 of query aligns to 26:487/489 of 7qk9A
- binding adenosine-5'-triphosphate: I158 (= I157), T159 (= T158), P160 (= P159), W161 (= W160), K185 (= K184), E188 (≠ P187), G218 (= G215), G222 (= G219), F236 (= F233), S239 (= S236), V242 (≠ T239)
7a6qB Crystal structure of human aldehyde dehydrogenase 1a3 in complex with selective nr6 inhibitor compound (see paper)
37% identity, 94% coverage: 30:483/484 of query aligns to 27:488/489 of 7a6qB
- active site: N163 (= N161), E262 (= E257), C296 (= C291), E470 (= E465)
- binding nicotinamide-adenine-dinucleotide: I159 (= I157), W162 (= W160), K186 (= K184), E189 (≠ P187), G219 (= G215), G223 (= G219), S240 (= S236), V243 (≠ T239), K342 (≠ M337)
- binding (3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium: A32 (≠ E35), T33 (≠ V36), C34 (≠ F37), P36 (= P39), D103 (≠ E103), E189 (≠ P187), Q190 (≠ Y188), F218 (vs. gap), I339 (≠ Q334), D340 (≠ N335)
- binding 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile: G118 (≠ Y118), D141 (≠ T139), N143 (≠ E141), N451 (≠ H446), L453 (≠ H448), A455 (≠ I450)
7a6qA Crystal structure of human aldehyde dehydrogenase 1a3 in complex with selective nr6 inhibitor compound (see paper)
37% identity, 94% coverage: 30:483/484 of query aligns to 27:488/489 of 7a6qA
- active site: N163 (= N161), E262 (= E257), C296 (= C291), E470 (= E465)
- binding nicotinamide-adenine-dinucleotide: I159 (= I157), T160 (= T158), W162 (= W160), K186 (= K184), A188 (≠ S186), E189 (≠ P187), G219 (= G215), G223 (= G219), S240 (= S236), V243 (≠ T239), K342 (≠ M337), K346 (= K341)
- binding 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile: G118 (≠ Y118), D141 (≠ T139), N143 (≠ E141), N451 (≠ H446), L453 (≠ H448), Y454 (≠ G449)
5fhzA Human aldehyde dehydrogenase 1a3 complexed with NAD(+) and retinoic acid (see paper)
37% identity, 94% coverage: 30:483/484 of query aligns to 27:488/489 of 5fhzA
- active site: N163 (= N161), K186 (= K184), E262 (= E257), C296 (= C291), E393 (= E388), E470 (= E465)
- binding nicotinamide-adenine-dinucleotide: I159 (= I157), T160 (= T158), W162 (= W160), K186 (= K184), E189 (≠ P187), G219 (= G215), G223 (= G219), F237 (= F233), G239 (= G235), S240 (= S236), T241 (= T237), V243 (≠ T239), G264 (= G259), Q343 (= Q338), E393 (= E388)
- binding retinoic acid: G118 (≠ Y118), R121 (≠ F121), F164 (= F162), M168 (≠ L166), W171 (= W169), C295 (≠ W290), C296 (= C291), L453 (≠ H448)
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)
37% identity, 94% coverage: 30:483/484 of query aligns to 45:506/512 of P47895
- R89 (≠ A71) to C: in MCOP8; does not affect ALDH1A3 expression; results in strongly reduced protein levels; dbSNP:rs397514652
- K204 (= K184) binding
- E207 (≠ P187) binding
- GSTEVG 257:262 (≠ GSTATG 235:240) binding
- Q361 (= Q338) binding
- E411 (= E388) binding
- A493 (≠ G470) 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
5teiA Structure of human aldh1a1 with inhibitor cm039
37% identity, 97% coverage: 10:479/484 of query aligns to 7:483/493 of 5teiA
- active site: N162 (= N161), K185 (= K184), E261 (= E257), C295 (= C291), E392 (= E388), E469 (= E465)
- binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: S113 (≠ T114), F163 (= F162), H285 (≠ D281), G286 (≠ A282), Y289 (≠ G285), C295 (= C291), G450 (≠ H446), V452 (≠ H448), F458 (= F454)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I157), I159 (≠ T158), P160 (= P159), W161 (= W160), N162 (= N161), K185 (= K184), E188 (≠ P187), G218 (= G215), G222 (= G219), A223 (= A220), F236 (= F233), T237 (= T234), G238 (= G235), S239 (= S236), V242 (≠ T239), C295 (= C291), Q342 (= Q338), K345 (= K341), E392 (= E388), F394 (= F390)
4x4lA Structure of human aldh1a1 with inhibitor cm037 (see paper)
37% identity, 97% coverage: 10:479/484 of query aligns to 7:483/493 of 4x4lA
- active site: N162 (= N161), K185 (= K184), E261 (= E257), C295 (= C291), E392 (= E388), E469 (= E465)
- binding ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate: S113 (≠ T114), M167 (≠ L166), W170 (= W169), Y289 (≠ G285), G450 (≠ H446), F458 (= F454)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I157), I159 (≠ T158), P160 (= P159), W161 (= W160), K185 (= K184), E188 (≠ P187), G218 (= G215), G222 (= G219), F236 (= F233), T237 (= T234), G238 (= G235), S239 (= S236), V242 (≠ T239), C295 (= C291), Q342 (= Q338), K345 (= K341), E392 (= E388), F394 (= F390)
7jwwA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
37% identity, 97% coverage: 10:479/484 of query aligns to 8:484/494 of 7jwwA
- active site: N163 (= N161), K186 (= K184), E262 (= E257), C296 (= C291), E393 (= E388), E470 (= E465)
- 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 (≠ Y118), T122 (≠ W122), F164 (= F162), M168 (≠ L166), Y290 (≠ G285), C295 (≠ W290), C296 (= C291), I297 (= I292), V453 (≠ H448), F459 (= F454)
7jwvA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
37% identity, 97% coverage: 10:479/484 of query aligns to 8:484/494 of 7jwvA
- active site: N163 (= N161), K186 (= K184), E262 (= E257), C296 (= C291), E393 (= E388), E470 (= E465)
- binding 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ Y118), T122 (≠ W122), F164 (= F162), M168 (≠ L166), Y290 (≠ G285), C295 (≠ W290), I297 (= I292), V453 (≠ H448), F459 (= F454)
7jwuA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
37% identity, 97% coverage: 10:479/484 of query aligns to 8:484/494 of 7jwuA
- active site: N163 (= N161), K186 (= K184), E262 (= E257), C296 (= C291), E393 (= E388), E470 (= E465)
- binding nicotinamide-adenine-dinucleotide: I159 (= I157), I160 (≠ T158), P161 (= P159), W162 (= W160), N163 (= N161), K186 (= K184), E189 (≠ P187), G219 (= G215), G223 (= G219), A224 (= A220), F237 (= F233), T238 (= T234), G239 (= G235), S240 (= S236), V243 (≠ T239), L263 (= L258), C296 (= C291), Q343 (= Q338), K346 (= K341), E393 (= E388), F395 (= F390)
- 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 (≠ W122), F164 (= F162), W171 (= W169), Y290 (≠ G285), C295 (≠ W290), I297 (= I292), V453 (≠ H448), F459 (= F454)
7jwtA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
37% identity, 97% coverage: 10:479/484 of query aligns to 8:484/494 of 7jwtA
- active site: N163 (= N161), K186 (= K184), E262 (= E257), C296 (= C291), E393 (= E388), E470 (= E465)
- binding 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ Y118), T122 (≠ W122), F164 (= F162), M168 (≠ L166), W171 (= W169), Y290 (≠ G285), C295 (≠ W290), V453 (≠ H448), F459 (= F454)
7jwsA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
37% identity, 97% coverage: 10:479/484 of query aligns to 8:484/494 of 7jwsA
- active site: N163 (= N161), K186 (= K184), E262 (= E257), C296 (= C291), E393 (= E388), E470 (= E465)
- binding 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ Y118), T122 (≠ W122), F164 (= F162), M168 (≠ L166), W171 (= W169), Y290 (≠ G285), C295 (≠ W290), I297 (= I292), V453 (≠ H448), F459 (= F454)
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)
37% identity, 97% coverage: 10:479/484 of query aligns to 8:484/494 of 6dumA
- active site: N163 (= N161), K186 (= K184), E262 (= E257), C296 (= C291), E393 (= E388), E470 (= E465)
- binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ Y118), T122 (≠ W122), F164 (= F162), M168 (≠ L166), W171 (= W169), H286 (≠ D281), Y290 (≠ G285), C295 (≠ W290), C296 (= C291), I297 (= I292), G451 (≠ H446), V453 (≠ H448), F459 (= F454)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I159 (= I157), I160 (≠ T158), P161 (= P159), W162 (= W160), N163 (= N161), K186 (= K184), E189 (≠ P187), G219 (= G215), P220 (≠ N216), G223 (= G219), A224 (= A220), F237 (= F233), T238 (= T234), G239 (= G235), S240 (= S236), V243 (≠ T239), L263 (= L258), C296 (= C291), Q343 (= Q338), K346 (= K341), E393 (= E388), F395 (= F390)
4wp7A Structure of human aldh1a1 with inhibitor cm026 (see paper)
37% identity, 97% coverage: 10:479/484 of query aligns to 8:484/494 of 4wp7A
- active site: N163 (= N161), K186 (= K184), E262 (= E257), C296 (= C291), E393 (= E388), E470 (= E465)
- 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 (≠ Y118), T122 (≠ W122), F164 (= F162), G287 (≠ A282), Y290 (≠ G285), C295 (≠ W290), I297 (= I292), G451 (≠ H446), V453 (≠ H448), A455 (≠ I450)
P15437 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 Equus caballus (Horse) (see paper)
37% identity, 97% coverage: 10:479/484 of query aligns to 15:491/501 of P15437
Sites not aligning to the query:
- 2 modified: N-acetylserine
4wb9A Human aldh1a1 complexed with nadh (see paper)
37% identity, 97% coverage: 10:479/484 of query aligns to 7:483/493 of 4wb9A
- active site: N162 (= N161), K185 (= K184), E261 (= E257), C295 (= C291), E392 (= E388), E469 (= E465)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I157), I159 (≠ T158), P160 (= P159), W161 (= W160), N162 (= N161), K185 (= K184), E188 (≠ P187), G218 (= G215), G222 (= G219), F236 (= F233), T237 (= T234), G238 (= G235), S239 (= S236), V242 (≠ T239), G263 (= G259), C295 (= C291), Q342 (= Q338), K345 (= K341), E392 (= E388), F394 (= F390)
7um9A Human aldh1a1 with bound compound cm38 (see paper)
37% identity, 97% coverage: 10:479/484 of query aligns to 8:484/494 of 7um9A
- binding nicotinamide-adenine-dinucleotide: I159 (= I157), I160 (≠ T158), P161 (= P159), W162 (= W160), N163 (= N161), K186 (= K184), E189 (≠ P187), G219 (= G215), G223 (= G219), F237 (= F233), T238 (= T234), G239 (= G235), S240 (= S236), V243 (≠ T239), E262 (= E257), G264 (= G259), Q343 (= Q338), K346 (= K341), E393 (= E388), F395 (= F390)
- binding (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone: W171 (= W169), H286 (≠ D281), Y290 (≠ G285), I297 (= I292), G451 (≠ H446)
5l2oA Crystal structure of aldh1a1 in complex with buc22 (see paper)
37% identity, 97% coverage: 10:479/484 of query aligns to 8:484/494 of 5l2oA
5l2nA Structure of aldh1a1 in complex with buc25 (see paper)
37% identity, 97% coverage: 10:479/484 of query aligns to 8:484/494 of 5l2nA
- active site: N163 (= N161), K186 (= K184), E262 (= E257), C296 (= C291), E393 (= E388), E470 (= E465)
- binding 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate: F164 (= F162), M168 (≠ L166), W171 (= W169), H286 (≠ D281), G287 (≠ A282), Y290 (≠ G285), C295 (≠ W290), C296 (= C291), I297 (= I292), Y450 (≠ I445), G451 (≠ H446), V453 (≠ H448), F459 (= F454)
5l2mA Structure of aldh1a1 in complex with buc11 (see paper)
37% identity, 97% coverage: 10:479/484 of query aligns to 8:484/494 of 5l2mA
- active site: N163 (= N161), K186 (= K184), E262 (= E257), C296 (= C291), E393 (= E388), E470 (= E465)
- binding 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one: F164 (= F162), F283 (≠ T278), H286 (≠ D281), Y290 (≠ G285)
Query Sequence
>3608018 FitnessBrowser__Dino:3608018
MNVQTGFAQDVRVDFTGPYRHAINGALVDSAGSFEVFNPATDEVVAHAPNASRDQVEQAI
AAAKAAQPGWAALSQDERGAYIAAYADALDAHKQELITLLTTEQGKPRHSMATTEVEYAI
FWVREVAKRRLEDEVIEDTPEHTVKVAHTPLGVVGAITPWNFPVLLGLWKIAPCLVTGNT
MVMKPSPYTPLCTLRFGEIAQQVFPAGVLNVVAGGNEQGAWLTEHPDIAKISFTGSTATG
RKVMASSSCNLKRITLELGGNDPAILLPGTDYKPLIPTLFDAAYGNSGQWCIAVKRLYVH
ESLYDDFLRDFVAHAAEKTVGNGMDPNTDLGPIQNKMQYGKLKDLFADVKAQGLSVPLGG
EIPDGPGNFVPITIVDNPPKDSRVVREEPFGPILPIIKWSDLDEVVRDANDTEFGLAASV
WGPDRDTAIGVANRLEAGTVWVNEIHIHGIDIPFGGHKQSGMGVENGQEGLKEFTNTKTY
MFRK
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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