SitesBLAST
Comparing AO353_05990 FitnessBrowser__pseudo3_N2E3:AO353_05990 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)
4zz7A Crystal structure of methylmalonate-semialdehyde dehydrogenase (dddc) from oceanimonas doudoroffii (see paper)
49% identity, 93% coverage: 17:490/507 of query aligns to 7:481/489 of 4zz7A
- active site: N149 (= N160), K172 (= K183), L246 (≠ M257), C280 (= C291), E382 (= E391), A462 (≠ P471)
- binding nicotinamide-adenine-dinucleotide: T146 (= T157), P147 (= P158), F148 (= F159), N149 (= N160), K172 (= K183), E175 (= E186), K205 (= K216), V208 (= V219), F222 (= F233), V223 (= V234), G224 (= G235), S225 (= S236), I228 (≠ V239), L246 (≠ M257), G247 (≠ M258), C280 (= C291), E382 (= E391), F384 (= F393)
4iymC Crystal structure of putative methylmalonate-semialdehyde dehydrogenase from sinorhizobium meliloti 1021 complexed with NAD, target 011934
48% identity, 95% coverage: 8:490/507 of query aligns to 1:485/491 of 4iymC
- active site: N153 (= N160), K176 (= K183), F250 (≠ M257), C284 (= C291), E386 (= E391), Q466 (≠ P471)
- binding nicotinamide-adenine-dinucleotide: I149 (= I156), T150 (= T157), P151 (= P158), F152 (= F159), N153 (= N160), F154 (= F161), K176 (= K183), K209 (= K216), V212 (= V219), F226 (= F233), V227 (= V234), G228 (= G235), S229 (= S236), I232 (≠ V239), G251 (≠ M258), C284 (= C291), E386 (= E391), F388 (= F393)
P42412 Malonate-semialdehyde dehydrogenase; MSA dehydrogenase; Methylmalonate-semialdehyde dehydrogenase; MMSA dehydrogenase; MMSDH; MSDH; EC 1.2.1.27 from Bacillus subtilis (strain 168) (see 3 papers)
47% identity, 95% coverage: 11:490/507 of query aligns to 4:481/487 of P42412
- C36 (≠ A43) mutation to A: No effect at either the structural or enzymatic levels; when associated with A-160; A-287; A-351 and A-413.
- R107 (= R114) mutation to L: At least 50-fold decrease of the second-order rate constant for the acylation step.
- A150 (≠ T157) binding
- F152 (= F159) binding
- C160 (≠ L167) mutation to A: No effect at either the structural or enzymatic levels; when associated with A-36; A-287; A-351 and A-413.
- K176 (= K183) binding
- E179 (= E186) binding
- R180 (≠ Q187) binding
- S229 (= S236) binding
- T251 (≠ M258) binding
- R283 (= R290) mutation to L: At least 50-fold decrease of the second-order rate constant for the acylation step.
- C287 (≠ T294) mutation to A: No effect at either the structural or enzymatic levels; when associated with A-36; A-160; A-351 and A-413.
- C351 (≠ L357) mutation to A: No effect at either the structural or enzymatic levels; when associated with A-36; A-160; A-287 and A-413.
- E382 (= E391) binding
- C413 (≠ G422) mutation to A: No effect at either the structural or enzymatic levels; when associated with A-36; A-160; A-287 and A-351.
1t90A Crystal structure of methylmalonate semialdehyde dehydrogenase from bacillus subtilis
47% identity, 95% coverage: 11:490/507 of query aligns to 2:479/484 of 1t90A
- active site: N151 (= N160), K174 (= K183), L248 (≠ M257), C282 (= C291), E380 (= E391), A460 (≠ P471)
- binding nicotinamide-adenine-dinucleotide: I147 (= I156), A148 (≠ T157), P149 (= P158), F150 (= F159), N151 (= N160), W159 (= W168), K174 (= K183), E177 (= E186), R178 (≠ Q187), H207 (≠ K216), V225 (= V234), G226 (= G235), S227 (= S236), V230 (= V239), L248 (≠ M257), T249 (≠ M258), C282 (= C291), E380 (= E391), F382 (= F393)
5tjrD X-ray crystal structure of a methylmalonate semialdehyde dehydrogenase from pseudomonas sp. Aac (see paper)
47% identity, 94% coverage: 14:490/507 of query aligns to 3:455/468 of 5tjrD
- active site: N144 (= N160), K167 (= K183), L241 (≠ M257), C270 (= C291), E356 (= E391), A436 (≠ P471)
- binding adenosine-5'-diphosphate: I140 (= I156), T141 (= T157), F143 (= F159), K167 (= K183), E170 (= E186), K200 (= K216), F217 (= F233), S220 (= S236), I223 (≠ V239)
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)
35% identity, 96% coverage: 1:489/507 of query aligns to 1:495/501 of P00352
- M1 (= M1) modified: Initiator methionine, Removed
- S2 (≠ N2) modified: N-acetylserine
- N121 (≠ D111) to S: in dbSNP:rs1049981
- IPWN 167:170 (≠ TPFN 157:160) binding
- I177 (≠ L167) to F: in dbSNP:rs8187929
- KPAE 193:196 (≠ KPSE 183:186) binding
- GP 226:227 (≠ GK 215:216) binding
- GS 246:247 (= GS 235:236) binding
- E269 (≠ M257) active site, Proton acceptor
- ELG 269:271 (≠ MMG 257:259) binding
- C302 (≠ R290) mutation C->A,S: Does not prevent inhibition by duocarmycin analogs.
- C303 (= C291) active site, Nucleophile
- EQYDK 349:353 (≠ RAKAR 336:340) binding
- EIF 400:402 (= EIF 391:393) 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:
- 336:501 Mediates interaction with PRMT3
7um9A Human aldh1a1 with bound compound cm38 (see paper)
35% identity, 96% coverage: 5:489/507 of query aligns to 5:488/494 of 7um9A
- binding nicotinamide-adenine-dinucleotide: I159 (= I156), I160 (≠ T157), P161 (= P158), W162 (≠ F159), N163 (= N160), K186 (= K183), E189 (= E186), G219 (= G215), G223 (≠ V219), F237 (= F233), T238 (≠ V234), G239 (= G235), S240 (= S236), V243 (= V239), E262 (≠ M257), G264 (= G259), Q343 (≠ A337), K346 (≠ R340), E393 (= E391), F395 (= F393)
- binding (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone: W171 (= W168), H286 (≠ G281), Y290 (≠ G285), I297 (≠ M292), G451 (vs. gap)
5l2oA Crystal structure of aldh1a1 in complex with buc22 (see paper)
35% identity, 96% coverage: 5:489/507 of query aligns to 5:488/494 of 5l2oA
5l2nA Structure of aldh1a1 in complex with buc25 (see paper)
35% identity, 96% coverage: 5:489/507 of query aligns to 5:488/494 of 5l2nA
- active site: N163 (= N160), K186 (= K183), E262 (≠ M257), C296 (= C291), E393 (= E391), E470 (≠ D468)
- binding 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate: F164 (= F161), M168 (≠ I165), W171 (= W168), H286 (≠ G281), G287 (≠ A282), Y290 (≠ G285), C295 (≠ R290), C296 (= C291), I297 (≠ M292), Y450 (≠ P448), G451 (vs. gap), V453 (≠ I449), F459 (= F455)
5l2mA Structure of aldh1a1 in complex with buc11 (see paper)
35% identity, 96% coverage: 5:489/507 of query aligns to 5:488/494 of 5l2mA
- active site: N163 (= N160), K186 (= K183), E262 (≠ M257), C296 (= C291), E393 (= E391), E470 (≠ D468)
- binding 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one: F164 (= F161), F283 (≠ A278), H286 (≠ G281), Y290 (≠ G285)
4wpnA Structure of human aldh1a1 with inhibitor cm053 (see paper)
35% identity, 96% coverage: 5:489/507 of query aligns to 5:488/494 of 4wpnA
- active site: N163 (= N160), K186 (= K183), E262 (≠ M257), C296 (= C291), E393 (= E391), E470 (≠ D468)
- 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 (= F161), H286 (≠ G281), G287 (≠ A282), Y290 (≠ G285), C295 (≠ R290), I297 (≠ M292), G451 (vs. gap), V453 (≠ I449)
4wb9A Human aldh1a1 complexed with nadh (see paper)
35% identity, 96% coverage: 5:489/507 of query aligns to 4:487/493 of 4wb9A
- active site: N162 (= N160), K185 (= K183), E261 (≠ M257), C295 (= C291), E392 (= E391), E469 (≠ D468)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I156), I159 (≠ T157), P160 (= P158), W161 (≠ F159), N162 (= N160), K185 (= K183), E188 (= E186), G218 (= G215), G222 (≠ V219), F236 (= F233), T237 (≠ V234), G238 (= G235), S239 (= S236), V242 (= V239), G263 (= G259), C295 (= C291), Q342 (≠ A337), K345 (≠ R340), E392 (= E391), F394 (= F393)
5teiA Structure of human aldh1a1 with inhibitor cm039
35% identity, 96% coverage: 5:489/507 of query aligns to 4:487/493 of 5teiA
- active site: N162 (= N160), K185 (= K183), E261 (≠ M257), C295 (= C291), E392 (= E391), E469 (≠ D468)
- binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: S113 (≠ D111), F163 (= F161), H285 (≠ G281), G286 (≠ A282), Y289 (≠ G285), C295 (= C291), G450 (vs. gap), V452 (≠ I449), F458 (= F455)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I156), I159 (≠ T157), P160 (= P158), W161 (≠ F159), N162 (= N160), K185 (= K183), E188 (= E186), G218 (= G215), G222 (≠ V219), A223 (≠ D220), F236 (= F233), T237 (≠ V234), G238 (= G235), S239 (= S236), V242 (= V239), C295 (= C291), Q342 (≠ A337), K345 (≠ R340), E392 (= E391), F394 (= F393)
4x4lA Structure of human aldh1a1 with inhibitor cm037 (see paper)
35% identity, 96% coverage: 5:489/507 of query aligns to 4:487/493 of 4x4lA
- active site: N162 (= N160), K185 (= K183), E261 (≠ M257), C295 (= C291), E392 (= E391), E469 (≠ D468)
- binding ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate: S113 (≠ D111), M167 (≠ I165), W170 (= W168), Y289 (≠ G285), G450 (vs. gap), F458 (= F455)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I156), I159 (≠ T157), P160 (= P158), W161 (≠ F159), K185 (= K183), E188 (= E186), G218 (= G215), G222 (≠ V219), F236 (= F233), T237 (≠ V234), G238 (= G235), S239 (= S236), V242 (= V239), C295 (= C291), Q342 (≠ A337), K345 (≠ R340), E392 (= E391), F394 (= F393)
7jwwA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
35% identity, 96% coverage: 5:489/507 of query aligns to 5:488/494 of 7jwwA
- active site: N163 (= N160), K186 (= K183), E262 (≠ M257), C296 (= C291), E393 (= E391), E470 (≠ D468)
- 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 (= G115), T122 (≠ V119), F164 (= F161), M168 (≠ I165), Y290 (≠ G285), C295 (≠ R290), C296 (= C291), I297 (≠ M292), V453 (≠ I449), F459 (= F455)
7jwvA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
35% identity, 96% coverage: 5:489/507 of query aligns to 5:488/494 of 7jwvA
- active site: N163 (= N160), K186 (= K183), E262 (≠ M257), C296 (= C291), E393 (= E391), E470 (≠ D468)
- binding 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (= G115), T122 (≠ V119), F164 (= F161), M168 (≠ I165), Y290 (≠ G285), C295 (≠ R290), I297 (≠ M292), V453 (≠ I449), F459 (= F455)
7jwuA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
35% identity, 96% coverage: 5:489/507 of query aligns to 5:488/494 of 7jwuA
- active site: N163 (= N160), K186 (= K183), E262 (≠ M257), C296 (= C291), E393 (= E391), E470 (≠ D468)
- binding nicotinamide-adenine-dinucleotide: I159 (= I156), I160 (≠ T157), P161 (= P158), W162 (≠ F159), N163 (= N160), K186 (= K183), E189 (= E186), G219 (= G215), G223 (≠ V219), A224 (≠ D220), F237 (= F233), T238 (≠ V234), G239 (= G235), S240 (= S236), V243 (= V239), L263 (≠ M258), C296 (= C291), Q343 (≠ A337), K346 (≠ R340), E393 (= E391), F395 (= F393)
- 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 (≠ V119), F164 (= F161), W171 (= W168), Y290 (≠ G285), C295 (≠ R290), I297 (≠ M292), V453 (≠ I449), F459 (= F455)
7jwtA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
35% identity, 96% coverage: 5:489/507 of query aligns to 5:488/494 of 7jwtA
- active site: N163 (= N160), K186 (= K183), E262 (≠ M257), C296 (= C291), E393 (= E391), E470 (≠ D468)
- binding 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (= G115), T122 (≠ V119), F164 (= F161), M168 (≠ I165), W171 (= W168), Y290 (≠ G285), C295 (≠ R290), V453 (≠ I449), F459 (= F455)
7jwsA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
35% identity, 96% coverage: 5:489/507 of query aligns to 5:488/494 of 7jwsA
- active site: N163 (= N160), K186 (= K183), E262 (≠ M257), C296 (= C291), E393 (= E391), E470 (≠ D468)
- binding 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (= G115), T122 (≠ V119), F164 (= F161), M168 (≠ I165), W171 (= W168), Y290 (≠ G285), C295 (≠ R290), I297 (≠ M292), V453 (≠ I449), 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)
35% identity, 96% coverage: 5:489/507 of query aligns to 5:488/494 of 6dumA
- active site: N163 (= N160), K186 (= K183), E262 (≠ M257), C296 (= C291), E393 (= E391), E470 (≠ D468)
- binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (= G115), T122 (≠ V119), F164 (= F161), M168 (≠ I165), W171 (= W168), H286 (≠ G281), Y290 (≠ G285), C295 (≠ R290), C296 (= C291), I297 (≠ M292), G451 (vs. gap), V453 (≠ I449), F459 (= F455)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I159 (= I156), I160 (≠ T157), P161 (= P158), W162 (≠ F159), N163 (= N160), K186 (= K183), E189 (= E186), G219 (= G215), P220 (≠ K216), G223 (≠ V219), A224 (≠ D220), F237 (= F233), T238 (≠ V234), G239 (= G235), S240 (= S236), V243 (= V239), L263 (≠ M258), C296 (= C291), Q343 (≠ A337), K346 (≠ R340), E393 (= E391), F395 (= F393)
Query Sequence
>AO353_05990 FitnessBrowser__pseudo3_N2E3:AO353_05990
MNASLTPETTVQKVKLLIDGQWVESQTTEWHDIVNPATQQVLAKVPFATPAEVDAAISAA
HRAFQTWKLTPIGARMRIMLKLQALIREHSKRIAVVLSAEQGKTIADAEGDIFRGLEVVE
HACSIGSLQMGEFAENVAGGVDTYTLRQPIGVCAGITPFNFPAMIPLWMFPMAIACGNTF
VLKPSEQDPMSTMLLVELAIEAGIPAGVLNVVHGGKDVVDALCTHKDIKAVSFVGSTAVG
THVYDLAGKHGKRVQSMMGAKNHAVVLPDANREQALNALVGAGFGAAGQRCMATSVVVLV
GAAKQWLPDLKALAQKLKVNAGSEPGTDVGPVISKRAKARILDLIESGIKEGAKLELDGR
DITVPGYEKGNFVGPTLFSGVTTDMQIYTQEIFGPVLVVLEVDTLDQAIALVNANPFGNG
TGLFTQSGAAARKFQNEIDVGQVGINIPIPVPVPFFSFTGSRGSKLGDLGPYGKQVVQFY
TQTKTVTSRWFDDDSVNDGVNTTINLR
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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