SitesBLAST
Comparing PfGW456L13_3141 FitnessBrowser__pseudo13_GW456_L13:PfGW456L13_3141 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)
7uyyA The crystal structure of the pseudomonas aeruginosa aldehyde dehydrogenase encoded by the pa4189 gene in complex with nadh (see paper)
75% identity, 100% coverage: 1:496/498 of query aligns to 1:496/496 of 7uyyA
- binding 1,4-dihydronicotinamide adenine dinucleotide: V165 (= V165), L166 (= L166), P167 (= P167), W168 (= W168), K192 (= K192), G225 (= G225), G229 (= G229), F243 (= F243), G245 (= G245), S246 (= S246), T249 (= T249), L252 (≠ R252), F253 (= F253), Y256 (= Y256), C269 (= C269), G270 (= G270), C303 (= C303), H350 (= H350), K353 (= K353), F400 (= F400)
5iuwA Crystal structure of indole-3-acetaldehyde dehydrogenase in complexed with NAD+ and iaa (see paper)
45% identity, 99% coverage: 5:495/498 of query aligns to 2:495/495 of 5iuwA
- active site: N166 (= N169), K189 (= K192), E265 (= E268), C300 (= C303), E399 (= E398), D476 (= D476)
- binding 1h-indol-3-ylacetic acid: F167 (= F170), M170 (≠ L173), C300 (= C303), D457 (≠ G456), F465 (= F464)
- binding nicotinamide-adenine-dinucleotide: I162 (≠ V165), V163 (≠ L166), P164 (= P167), W165 (= W168), N166 (= N169), K189 (= K192), G222 (= G225), G226 (= G229), K227 (≠ E230), F240 (= F243), T241 (= T244), G242 (= G245), S243 (= S246), I246 (≠ T249), Y253 (= Y256), E265 (= E268), A266 (≠ C269), C300 (= C303), E399 (= E398), F401 (= F400)
5iuvA Crystal structure of indole-3-acetaldehyde dehydrogenase in complexed with NAD+ (see paper)
45% identity, 99% coverage: 5:495/498 of query aligns to 2:495/495 of 5iuvA
- active site: N166 (= N169), K189 (= K192), E265 (= E268), C300 (= C303), E399 (= E398), D476 (= D476)
- binding nicotinamide-adenine-dinucleotide: I162 (≠ V165), V163 (≠ L166), P164 (= P167), W165 (= W168), N166 (= N169), K189 (= K192), S191 (≠ A194), G222 (= G225), G226 (= G229), K227 (≠ E230), F240 (= F243), T241 (= T244), G242 (= G245), S243 (= S246), I246 (≠ T249), Y253 (= Y256), E265 (= E268), A266 (≠ C269), C300 (= C303), E399 (= E398), F401 (= F400)
7jsoA P. Syringae alda indole-3-acetaldehyde dehydrogenase c302a mutant in complex with NAD+ and iaa (see paper)
45% identity, 99% coverage: 5:495/498 of query aligns to 2:495/495 of 7jsoA
- active site: N166 (= N169), E265 (= E268), A300 (≠ C303), D476 (= D476)
- binding 1h-indol-3-ylacetic acid: F167 (= F170), W174 (= W177), V299 (≠ N302), A300 (≠ C303), T301 (≠ S304), D457 (≠ G456), F465 (= F464)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I162 (≠ V165), V163 (≠ L166), P164 (= P167), W165 (= W168), K189 (= K192), E192 (≠ K195), G222 (= G225), G226 (= G229), K227 (≠ E230), F240 (= F243), G242 (= G245), S243 (= S246), I246 (≠ T249), A266 (≠ C269), G267 (= G270), A300 (≠ C303), E399 (= E398), F401 (= F400)
4pz2B Structure of zm aldh2-6 (rf2f) in complex with NAD (see paper)
43% identity, 96% coverage: 16:491/498 of query aligns to 7:484/494 of 4pz2B
- active site: N159 (= N169), K182 (= K192), E258 (= E268), C292 (= C303), E392 (= E398), D469 (= D476)
- binding nicotinamide-adenine-dinucleotide: I155 (≠ V165), I156 (≠ L166), P157 (= P167), W158 (= W168), N159 (= N169), M164 (= M174), K182 (= K192), A184 (= A194), E185 (≠ K195), G215 (= G225), G219 (= G229), F233 (= F243), T234 (= T244), G235 (= G245), S236 (= S246), V239 (≠ T249), E258 (= E268), L259 (≠ C269), C292 (= C303), E392 (= E398), F394 (= F400)
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)
41% identity, 96% coverage: 16:491/498 of query aligns to 16:491/501 of Q56YU0
- G152 (≠ S152) mutation to E: In ref1-7; reduced activity on sinapaldehyde.
- G416 (≠ A415) mutation to R: In ref1-6; reduced activity on sinapaldehyde.
4pxlA Structure of zm aldh2-3 (rf2c) in complex with NAD (see paper)
42% identity, 95% coverage: 21:491/498 of query aligns to 6:476/486 of 4pxlA
- active site: N154 (= N169), K177 (= K192), E253 (= E268), C287 (= C303), E384 (= E398), D461 (= D476)
- binding nicotinamide-adenine-dinucleotide: I150 (≠ V165), V151 (≠ L166), P152 (= P167), W153 (= W168), K177 (= K192), E180 (≠ K195), G210 (= G225), G214 (= G229), A215 (≠ E230), F228 (= F243), G230 (= G245), S231 (= S246), V234 (≠ T249), E253 (= E268), G255 (= G270), C287 (= C303), Q334 (≠ H350), K337 (= K353), E384 (= E398), F386 (= F400)
5gtlA NADPH complex structure of aldehyde dehydrogenase from bacillus cereus
40% identity, 95% coverage: 24:495/498 of query aligns to 20:490/491 of 5gtlA
- active site: N165 (= N169), K188 (= K192), E263 (= E268), C297 (= C303), E394 (= E398), E471 (≠ D476)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (≠ V165), P163 (= P167), K188 (= K192), A190 (= A194), E191 (≠ K195), Q192 (≠ E196), G221 (= G225), G225 (= G229), G241 (= G245), S242 (= S246), T245 (= T249), L264 (≠ C269), C297 (= C303), E394 (= E398), F396 (= F400)
5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
40% identity, 95% coverage: 24:495/498 of query aligns to 20:490/491 of 5gtkA
- active site: N165 (= N169), K188 (= K192), E263 (= E268), C297 (= C303), E394 (= E398), E471 (≠ D476)
- binding nicotinamide-adenine-dinucleotide: I161 (≠ V165), I162 (≠ L166), P163 (= P167), W164 (= W168), K188 (= K192), E191 (≠ K195), G221 (= G225), G225 (= G229), A226 (≠ E230), F239 (= F243), G241 (= G245), S242 (= S246), T245 (= T249), Y248 (≠ R252), L264 (≠ C269), C297 (= C303), Q344 (≠ H350), R347 (≠ K353), E394 (= E398), F396 (= F400)
5teiA Structure of human aldh1a1 with inhibitor cm039
40% identity, 97% coverage: 16:498/498 of query aligns to 7:491/493 of 5teiA
- active site: N162 (= N169), K185 (= K192), E261 (= E268), C295 (= C303), E392 (= E398), E469 (≠ D476)
- binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: S113 (≠ T120), F163 (= F170), H285 (≠ N293), G286 (= G294), Y289 (≠ W297), C295 (= C303), G450 (= G456), V452 (≠ G458), F458 (= F464)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (≠ V165), I159 (≠ L166), P160 (= P167), W161 (= W168), N162 (= N169), K185 (= K192), E188 (≠ K195), G218 (= G225), G222 (= G229), A223 (≠ E230), F236 (= F243), T237 (= T244), G238 (= G245), S239 (= S246), V242 (≠ T249), C295 (= C303), Q342 (≠ H350), K345 (= K353), E392 (= E398), F394 (= F400)
4x4lA Structure of human aldh1a1 with inhibitor cm037 (see paper)
40% identity, 97% coverage: 16:498/498 of query aligns to 7:491/493 of 4x4lA
- active site: N162 (= N169), K185 (= K192), E261 (= E268), C295 (= C303), E392 (= E398), E469 (≠ D476)
- binding ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate: S113 (≠ T120), M167 (= M174), W170 (= W177), Y289 (≠ W297), G450 (= G456), F458 (= F464)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (≠ V165), I159 (≠ L166), P160 (= P167), W161 (= W168), K185 (= K192), E188 (≠ K195), G218 (= G225), G222 (= G229), F236 (= F243), T237 (= T244), G238 (= G245), S239 (= S246), V242 (≠ T249), C295 (= C303), Q342 (≠ H350), K345 (= K353), E392 (= E398), F394 (= F400)
7jwwA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
40% identity, 97% coverage: 16:498/498 of query aligns to 8:492/494 of 7jwwA
- active site: N163 (= N169), K186 (= K192), E262 (= E268), C296 (= C303), E393 (= E398), E470 (≠ D476)
- 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 (≠ E124), T122 (≠ M128), F164 (= F170), M168 (= M174), Y290 (≠ W297), C295 (≠ N302), C296 (= C303), I297 (≠ S304), V453 (≠ G458), F459 (= F464)
7jwvA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
40% identity, 97% coverage: 16:498/498 of query aligns to 8:492/494 of 7jwvA
- active site: N163 (= N169), K186 (= K192), E262 (= E268), C296 (= C303), E393 (= E398), E470 (≠ D476)
- binding 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ E124), T122 (≠ M128), F164 (= F170), M168 (= M174), Y290 (≠ W297), C295 (≠ N302), I297 (≠ S304), V453 (≠ G458), F459 (= F464)
7jwuA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
40% identity, 97% coverage: 16:498/498 of query aligns to 8:492/494 of 7jwuA
- active site: N163 (= N169), K186 (= K192), E262 (= E268), C296 (= C303), E393 (= E398), E470 (≠ D476)
- binding nicotinamide-adenine-dinucleotide: I159 (≠ V165), I160 (≠ L166), P161 (= P167), W162 (= W168), N163 (= N169), K186 (= K192), E189 (≠ K195), G219 (= G225), G223 (= G229), A224 (≠ E230), F237 (= F243), T238 (= T244), G239 (= G245), S240 (= S246), V243 (≠ T249), L263 (≠ C269), C296 (= C303), Q343 (≠ H350), K346 (= K353), E393 (= E398), F395 (= F400)
- 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 (≠ M128), F164 (= F170), W171 (= W177), Y290 (≠ W297), C295 (≠ N302), I297 (≠ S304), V453 (≠ G458), F459 (= F464)
7jwtA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
40% identity, 97% coverage: 16:498/498 of query aligns to 8:492/494 of 7jwtA
- active site: N163 (= N169), K186 (= K192), E262 (= E268), C296 (= C303), E393 (= E398), E470 (≠ D476)
- binding 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ E124), T122 (≠ M128), F164 (= F170), M168 (= M174), W171 (= W177), Y290 (≠ W297), C295 (≠ N302), V453 (≠ G458), F459 (= F464)
7jwsA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
40% identity, 97% coverage: 16:498/498 of query aligns to 8:492/494 of 7jwsA
- active site: N163 (= N169), K186 (= K192), E262 (= E268), C296 (= C303), E393 (= E398), E470 (≠ D476)
- binding 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ E124), T122 (≠ M128), F164 (= F170), M168 (= M174), W171 (= W177), Y290 (≠ W297), C295 (≠ N302), I297 (≠ S304), V453 (≠ G458), F459 (= F464)
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)
40% identity, 97% coverage: 16:498/498 of query aligns to 8:492/494 of 6dumA
- active site: N163 (= N169), K186 (= K192), E262 (= E268), C296 (= C303), E393 (= E398), E470 (≠ D476)
- binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ E124), T122 (≠ M128), F164 (= F170), M168 (= M174), W171 (= W177), H286 (≠ N293), Y290 (≠ W297), C295 (≠ N302), C296 (= C303), I297 (≠ S304), G451 (= G456), V453 (≠ G458), F459 (= F464)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I159 (≠ V165), I160 (≠ L166), P161 (= P167), W162 (= W168), N163 (= N169), K186 (= K192), E189 (≠ K195), G219 (= G225), P220 (≠ G226), G223 (= G229), A224 (≠ E230), F237 (= F243), T238 (= T244), G239 (= G245), S240 (= S246), V243 (≠ T249), L263 (≠ C269), C296 (= C303), Q343 (≠ H350), K346 (= K353), E393 (= E398), F395 (= F400)
4wp7A Structure of human aldh1a1 with inhibitor cm026 (see paper)
40% identity, 97% coverage: 16:498/498 of query aligns to 8:492/494 of 4wp7A
- active site: N163 (= N169), K186 (= K192), E262 (= E268), C296 (= C303), E393 (= E398), E470 (≠ D476)
- 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 (≠ E124), T122 (≠ M128), F164 (= F170), G287 (= G294), Y290 (≠ W297), C295 (≠ N302), I297 (≠ S304), G451 (= G456), V453 (≠ G458), A455 (= A460)
4wb9A Human aldh1a1 complexed with nadh (see paper)
40% identity, 97% coverage: 16:498/498 of query aligns to 7:491/493 of 4wb9A
- active site: N162 (= N169), K185 (= K192), E261 (= E268), C295 (= C303), E392 (= E398), E469 (≠ D476)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (≠ V165), I159 (≠ L166), P160 (= P167), W161 (= W168), N162 (= N169), K185 (= K192), E188 (≠ K195), G218 (= G225), G222 (= G229), F236 (= F243), T237 (= T244), G238 (= G245), S239 (= S246), V242 (≠ T249), G263 (= G270), C295 (= C303), Q342 (≠ H350), K345 (= K353), E392 (= E398), F394 (= F400)
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)
40% identity, 97% coverage: 16:498/498 of query aligns to 15:499/501 of P00352
- N121 (≠ T120) to S: in dbSNP:rs1049981
- IPWN 167:170 (≠ LPWN 166:169) binding
- I177 (≠ A176) to F: in dbSNP:rs8187929
- KPAE 193:196 (≠ KPAK 192:195) binding
- GP 226:227 (≠ GG 225:226) binding
- GS 246:247 (= GS 245:246) binding
- E269 (= E268) active site, Proton acceptor
- ELG 269:271 (≠ ECG 268:270) binding
- C302 (≠ N302) mutation C->A,S: Does not prevent inhibition by duocarmycin analogs.
- C303 (= C303) active site, Nucleophile
- EQYDK 349:353 (≠ AHFEK 349:353) binding
- EIF 400:402 (= EIF 398:400) binding
- G458 (= G456) 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
Query Sequence
>PfGW456L13_3141 FitnessBrowser__pseudo13_GW456_L13:PfGW456L13_3141
MTGLLSAAEYAAIARDLKFPTQSFVNGESYTSVSGNTFTTTNPATNDVLAEITACNAQDV
DFAVAKAKEAFEDGRWHKLSPSERKKVLLRFADLLEQNSHELSVLESLDSGKPVRECQLT
DVPETIHMIRWHAELIDKIYDSTAPVGPGALSLVVREAIGVVGLVLPWNFPLLMLAWKIG
PSLAAGCSIIVKPAKETTLTALRVAELAHEAGVPAGVFNVLSGGGGEVGEPLGRHMDVSM
VSFTGSTATGRRFLNYAADSNLKRIVLECGGKNPAVVMNDVEDLDLVASHVVNGAFWNMG
ENCSASSRLIVHADIKDELLKRIGVQMREWKMGNPLDPDNRLGAMVSKAHFEKVRSYLEQ
AAVEKLDVVYGGNTESDIFVEPTVVDGVGADSRLFQEEIFGPVLAVTTFNTVDEAIALAN
DSVYGLAASVYTDNLRNAIKLSREIRAGIVTVNCFGEGDASTPFGGYKESGFGGRDKSIW
AHDQYTEIKTIWIDVSER
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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