SitesBLAST
Comparing Pf6N2E2_1878 FitnessBrowser__pseudo6_N2E2:Pf6N2E2_1878 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)
41% identity, 99% coverage: 1:469/472 of query aligns to 8:487/489 of 7qk9A
- binding adenosine-5'-triphosphate: I158 (= I143), T159 (= T144), P160 (= P145), W161 (= W146), K185 (= K170), E188 (≠ P173), G218 (= G201), G222 (= G205), F236 (= F219), S239 (= S222), V242 (≠ T225)
7a6qB Crystal structure of human aldehyde dehydrogenase 1a3 in complex with selective nr6 inhibitor compound (see paper)
41% identity, 99% coverage: 1:469/472 of query aligns to 9:488/489 of 7a6qB
- active site: N163 (= N147), E262 (= E243), C296 (= C277), E470 (= E451)
- binding nicotinamide-adenine-dinucleotide: I159 (= I143), W162 (= W146), K186 (= K170), E189 (≠ P173), G219 (= G201), G223 (= G205), S240 (= S222), V243 (≠ T225), K342 (≠ M323)
- binding (3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium: A32 (= A23), T33 (vs. gap), C34 (≠ I24), P36 (= P26), D103 (≠ E90), E189 (≠ P173), Q190 (≠ F174), F218 (vs. gap), I339 (≠ Q320), D340 (≠ N321)
- binding 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile: G118 (= G104), D141 (≠ G127), N143 (≠ L129), N451 (≠ H432), L453 (≠ F434), A455 (≠ P436)
7a6qA Crystal structure of human aldehyde dehydrogenase 1a3 in complex with selective nr6 inhibitor compound (see paper)
41% identity, 99% coverage: 1:469/472 of query aligns to 9:488/489 of 7a6qA
- active site: N163 (= N147), E262 (= E243), C296 (= C277), E470 (= E451)
- binding nicotinamide-adenine-dinucleotide: I159 (= I143), T160 (= T144), W162 (= W146), K186 (= K170), A188 (≠ S172), E189 (≠ P173), G219 (= G201), G223 (= G205), S240 (= S222), V243 (≠ T225), K342 (≠ M323), K346 (= K327)
- binding 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile: G118 (= G104), D141 (≠ G127), N143 (≠ L129), N451 (≠ H432), L453 (≠ F434), Y454 (≠ S435)
5fhzA Human aldehyde dehydrogenase 1a3 complexed with NAD(+) and retinoic acid (see paper)
41% identity, 99% coverage: 1:469/472 of query aligns to 9:488/489 of 5fhzA
- active site: N163 (= N147), K186 (= K170), E262 (= E243), C296 (= C277), E393 (= E374), E470 (= E451)
- binding nicotinamide-adenine-dinucleotide: I159 (= I143), T160 (= T144), W162 (= W146), K186 (= K170), E189 (≠ P173), G219 (= G201), G223 (= G205), F237 (= F219), G239 (= G221), S240 (= S222), T241 (= T223), V243 (≠ T225), G264 (= G245), Q343 (= Q324), E393 (= E374)
- binding retinoic acid: G118 (= G104), R121 (≠ H107), F164 (= F148), M168 (≠ L152), W171 (= W155), C295 (≠ F276), C296 (= C277), L453 (≠ F434)
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)
41% identity, 99% coverage: 1:469/472 of query aligns to 27:506/512 of P47895
- R89 (= R58) to C: in MCOP8; does not affect ALDH1A3 expression; results in strongly reduced protein levels; dbSNP:rs397514652
- K204 (= K170) binding
- E207 (≠ P173) binding
- GSTEVG 257:262 (≠ GSTATG 221:226) binding
- Q361 (= Q324) binding
- E411 (= E374) binding
- A493 (≠ G456) 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
6tgwA Crystal structure of human aldehyde dehydrogenase 1a3 in complex with a selective inhibitor (see paper)
41% identity, 99% coverage: 1:469/472 of query aligns to 1:477/478 of 6tgwA
- active site: N155 (= N147), E254 (= E243), C288 (= C277), E459 (= E451)
- binding methyl 5-(1,3-benzodioxol-5-yl)-2-phenyl-pyrazolo[1,5-a]pyrimidine-7-carboxylate: I106 (vs. gap), G110 (= G104), F156 (= F148), Q278 (≠ W267), F282 (≠ A271), L442 (≠ F434), A444 (≠ P436)
- binding nicotinamide-adenine-dinucleotide: I151 (= I143), T152 (= T144), P153 (= P145), W154 (= W146), K178 (= K170), G211 (= G201), G215 (= G205), F229 (= F219), G231 (= G221), S232 (= S222), V235 (≠ T225)
6tryA Crystal structure of human aldehyde dehydrogenase 1a3 in complex with mf13 inhibitor compound (see paper)
40% identity, 99% coverage: 1:469/472 of query aligns to 2:476/478 of 6tryA
- active site: N156 (= N147), E255 (= E243), C289 (= C277), E458 (= E451)
- binding nicotinamide-adenine-dinucleotide: I152 (= I143), T153 (= T144), W155 (= W146), K179 (= K170), A181 (≠ S172), E182 (≠ P173), G212 (= G201), G216 (= G205), A217 (≠ Q206), F230 (= F219), G232 (= G221), S233 (= S222), V236 (≠ T225), K335 (≠ M323)
- binding 8-(4-chlorophenyl)-2-phenyl-imidazo[1,2-a]pyridine: I107 (vs. gap), G111 (= G104), T115 (≠ W108), L160 (= L151), C288 (≠ F276), L441 (≠ F434), A443 (≠ P436)
6te5B Crystal structure of human aldehyde dehydrogenase 1a3 in complex with lq43 inhibitor compound (see paper)
40% identity, 99% coverage: 1:469/472 of query aligns to 3:477/479 of 6te5B
- active site: N157 (= N147), E256 (= E243), C290 (= C277), E459 (= E451)
- binding 6-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine: E111 (≠ D103), G112 (= G104), T116 (≠ W108), L442 (≠ F434), A444 (≠ P436)
- binding nicotinamide-adenine-dinucleotide: I153 (= I143), T154 (= T144), W156 (= W146), K180 (= K170), E183 (≠ P173), G213 (= G201), F231 (= F219), S234 (= S222), V237 (≠ T225), Q337 (= Q324), K340 (= K327)
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)
40% identity, 100% coverage: 1:472/472 of query aligns to 16:498/501 of P15437
Sites not aligning to the query:
- 2 modified: N-acetylserine
6s6wA Crystal structure of human aldh1a3 in complex with 2,6- diphenylimidazo[1,2-a]pyridine (compound ga11) and NAD+ (see paper)
41% identity, 99% coverage: 1:469/472 of query aligns to 5:474/476 of 6s6wA
- active site: N159 (= N147), E258 (= E243), C292 (= C277), E456 (= E451)
- binding 2,6-diphenylimidazo[1,2-a]pyridine: E113 (≠ D103), G114 (= G104), W167 (= W155), L439 (≠ F434), Y440 (≠ S435)
- binding nicotinamide-adenine-dinucleotide: I155 (= I143), T156 (= T144), W158 (= W146), K182 (= K170), A184 (≠ S172), G215 (= G201), G219 (= G205), A220 (≠ Q206), F233 (= F219), S236 (= S222), V239 (≠ T225), K338 (≠ M323)
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)
39% identity, 100% coverage: 1:472/472 of query aligns to 16:498/501 of P00352
- N121 (vs. gap) to S: in dbSNP:rs1049981
- IPWN 167:170 (≠ TPWN 144:147) binding
- I177 (= I154) to F: in dbSNP:rs8187929
- KPAE 193:196 (≠ KPSP 170:173) binding
- GP 226:227 (≠ GN 201:202) binding
- GS 246:247 (= GS 221:222) binding
- E269 (= E243) active site, Proton acceptor
- ELG 269:271 (= ELG 243:245) binding
- C302 (≠ F276) mutation C->A,S: Does not prevent inhibition by duocarmycin analogs.
- C303 (= C277) active site, Nucleophile
- EQYDK 349:353 (≠ MQFNK 323:327) binding
- EIF 400:402 (≠ EAF 374:376) binding
- G458 (≠ H432) 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
5teiA Structure of human aldh1a1 with inhibitor cm039
39% identity, 100% coverage: 1:472/472 of query aligns to 8:490/493 of 5teiA
- active site: N162 (= N147), K185 (= K170), E261 (= E243), C295 (= C277), E392 (= E374), E469 (= E451)
- binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: S113 (vs. gap), F163 (= F148), H285 (≠ W267), G286 (≠ A268), Y289 (≠ A271), C295 (= C277), G450 (≠ H432), V452 (≠ F434), F458 (= F440)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I143), I159 (≠ T144), P160 (= P145), W161 (= W146), N162 (= N147), K185 (= K170), E188 (≠ P173), G218 (= G201), G222 (= G205), A223 (≠ Q206), F236 (= F219), T237 (= T220), G238 (= G221), S239 (= S222), V242 (≠ T225), C295 (= C277), Q342 (= Q324), K345 (= K327), E392 (= E374), F394 (= F376)
4x4lA Structure of human aldh1a1 with inhibitor cm037 (see paper)
39% identity, 100% coverage: 1:472/472 of query aligns to 8:490/493 of 4x4lA
- active site: N162 (= N147), K185 (= K170), E261 (= E243), C295 (= C277), E392 (= E374), E469 (= E451)
- binding ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate: S113 (vs. gap), M167 (≠ L152), W170 (= W155), Y289 (≠ A271), G450 (≠ H432), F458 (= F440)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I143), I159 (≠ T144), P160 (= P145), W161 (= W146), K185 (= K170), E188 (≠ P173), G218 (= G201), G222 (= G205), F236 (= F219), T237 (= T220), G238 (= G221), S239 (= S222), V242 (≠ T225), C295 (= C277), Q342 (= Q324), K345 (= K327), E392 (= E374), F394 (= F376)
4wb9A Human aldh1a1 complexed with nadh (see paper)
39% identity, 100% coverage: 1:472/472 of query aligns to 8:490/493 of 4wb9A
- active site: N162 (= N147), K185 (= K170), E261 (= E243), C295 (= C277), E392 (= E374), E469 (= E451)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I143), I159 (≠ T144), P160 (= P145), W161 (= W146), N162 (= N147), K185 (= K170), E188 (≠ P173), G218 (= G201), G222 (= G205), F236 (= F219), T237 (= T220), G238 (= G221), S239 (= S222), V242 (≠ T225), G263 (= G245), C295 (= C277), Q342 (= Q324), K345 (= K327), E392 (= E374), F394 (= F376)
7um9A Human aldh1a1 with bound compound cm38 (see paper)
39% identity, 100% coverage: 1:472/472 of query aligns to 9:491/494 of 7um9A
- binding nicotinamide-adenine-dinucleotide: I159 (= I143), I160 (≠ T144), P161 (= P145), W162 (= W146), N163 (= N147), K186 (= K170), E189 (≠ P173), G219 (= G201), G223 (= G205), F237 (= F219), T238 (= T220), G239 (= G221), S240 (= S222), V243 (≠ T225), E262 (= E243), G264 (= G245), Q343 (= Q324), K346 (= K327), E393 (= E374), F395 (= F376)
- binding (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone: W171 (= W155), H286 (≠ W267), Y290 (≠ A271), I297 (≠ V278), G451 (≠ H432)
5l2oA Crystal structure of aldh1a1 in complex with buc22 (see paper)
39% identity, 100% coverage: 1:472/472 of query aligns to 9:491/494 of 5l2oA
5l2nA Structure of aldh1a1 in complex with buc25 (see paper)
39% identity, 100% coverage: 1:472/472 of query aligns to 9:491/494 of 5l2nA
- active site: N163 (= N147), K186 (= K170), E262 (= E243), C296 (= C277), E393 (= E374), E470 (= E451)
- binding 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate: F164 (= F148), M168 (≠ L152), W171 (= W155), H286 (≠ W267), G287 (≠ A268), Y290 (≠ A271), C295 (≠ F276), C296 (= C277), I297 (≠ V278), Y450 (≠ A431), G451 (≠ H432), V453 (≠ F434), F459 (= F440)
5l2mA Structure of aldh1a1 in complex with buc11 (see paper)
39% identity, 100% coverage: 1:472/472 of query aligns to 9:491/494 of 5l2mA
- active site: N163 (= N147), K186 (= K170), E262 (= E243), C296 (= C277), E393 (= E374), E470 (= E451)
- binding 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one: F164 (= F148), F283 (≠ D264), H286 (≠ W267), Y290 (≠ A271)
4wpnA Structure of human aldh1a1 with inhibitor cm053 (see paper)
39% identity, 100% coverage: 1:472/472 of query aligns to 9:491/494 of 4wpnA
- active site: N163 (= N147), K186 (= K170), E262 (= E243), C296 (= C277), E393 (= E374), E470 (= E451)
- 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 (= F148), H286 (≠ W267), G287 (≠ A268), Y290 (≠ A271), C295 (≠ F276), I297 (≠ V278), G451 (≠ H432), V453 (≠ F434)
7jwwA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
39% identity, 100% coverage: 1:472/472 of query aligns to 9:491/494 of 7jwwA
- active site: N163 (= N147), K186 (= K170), E262 (= E243), C296 (= C277), E393 (= E374), E470 (= E451)
- 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 (= G104), T122 (vs. gap), F164 (= F148), M168 (≠ L152), Y290 (≠ A271), C295 (≠ F276), C296 (= C277), I297 (≠ V278), V453 (≠ F434), F459 (= F440)
Query Sequence
>Pf6N2E2_1878 FitnessBrowser__pseudo6_N2E2:Pf6N2E2_1878
MKLQTFKLSINGRAEESLETAFAINPATEEPICEYPLASRTQLEEAVQAAKIAFTDWRAT
PIEQRKKLVAAFGDIIEERREAFITLLTTEQGKGRSGAEWEIDGCIHWCREIAKQSLEDE
FPQGVTGELIVSRHTPIGVIGAITPWNFPLLLAIWKVAPALLAGNTMVLKPSPFTPLCTL
WFGELANKILPPGVLNVLSGGNELGQLITEHPDIGKISFTGSTATGKRVMQSASTNLKRL
TLELGGNDPAIVFPDVDPKAIAQDLFWAAFANSGQFCVATKRLYVHEDIYDEVARELVAY
AGTVKMGNGADPEVALGPLQNRMQFNKVKDLLLDCKTRGFSFIMGGELEERKGYFIPVTI
IDNPPADARCVVEEAFGPVLPMIKYRDLEDVIKQANSSEYGLAATIWSKDLDTAQRVAKQ
IESGTVWINHAHQFSPHVAFGGQKNSGMGIENSLHGLAEYTNIQTVLLKAAQ
Or try a new SitesBLAST search
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