SitesBLAST
Comparing GFF374 Psest_0375 NAD-dependent aldehyde dehydrogenases 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)
4neaA 1.90 angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betb) from staphylococcus aureus in complex with NAD+ and bme-free cys289 (see paper)
36% identity, 97% coverage: 10:475/480 of query aligns to 21:489/505 of 4neaA
- active site: N166 (= N152), K189 (= K175), E264 (= E250), C298 (= C284), E399 (= E383), E476 (= E462)
- binding nicotinamide-adenine-dinucleotide: P164 (= P150), K189 (= K175), E192 (≠ D178), G222 (= G208), G226 (= G212), G242 (= G228), G243 (≠ S229), T246 (≠ V232), H249 (≠ G235), I250 (= I236), C298 (= C284), E399 (= E383), F401 (= F385)
7radA Crystal structure analysis of aldh1b1
41% identity, 99% coverage: 3:479/480 of query aligns to 9:486/493 of 7radA
- binding nicotinamide-adenine-dinucleotide: I158 (= I148), I159 (≠ T149), P160 (= P150), W161 (= W151), N162 (= N152), M167 (≠ I157), K185 (= K175), E188 (≠ D178), G218 (= G208), G222 (= G212), A223 (≠ E213), T237 (= T227), G238 (= G228), S239 (= S229), V242 (= V232), E261 (= E250), L262 (≠ M251), C295 (= C284), E392 (= E383), F394 (= F385)
- binding 3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine: L113 (vs. gap), E117 (≠ R106), F163 (= F153), E285 (≠ Q274), F289 (≠ Y278), N450 (≠ T441), V452 (= V444)
7mjdA Crystal structure analysis of aldh1b1
41% identity, 99% coverage: 3:479/480 of query aligns to 9:486/493 of 7mjdA
- binding nicotinamide-adenine-dinucleotide: I158 (= I148), I159 (≠ T149), P160 (= P150), W161 (= W151), N162 (= N152), M167 (≠ I157), K185 (= K175), E188 (≠ D178), G218 (= G208), G222 (= G212), F236 (= F226), T237 (= T227), G238 (= G228), S239 (= S229), V242 (= V232), E261 (= E250), L262 (≠ M251), C295 (= C284), E392 (= E383), F394 (= F385)
- binding 8-(2-methoxyphenyl)-10-(4-phenylphenyl)-1$l^{4},8-diazabicyclo[5.3.0]deca-1(7),9-diene: E117 (≠ R106), E285 (≠ Q274), F289 (≠ Y278), N450 (≠ T441), V452 (= V444)
7mjcA Crystal structure analysis of aldh1b1
41% identity, 99% coverage: 3:479/480 of query aligns to 9:486/493 of 7mjcA
- binding nicotinamide-adenine-dinucleotide: I158 (= I148), I159 (≠ T149), P160 (= P150), W161 (= W151), N162 (= N152), K185 (= K175), E188 (≠ D178), G218 (= G208), G222 (= G212), T237 (= T227), G238 (= G228), S239 (= S229), V242 (= V232), E261 (= E250), L262 (≠ M251), C295 (= C284), E392 (= E383), F394 (= F385)
P25526 Succinate-semialdehyde dehydrogenase [NADP(+)] GabD; SSDH; Glutarate-semialdehyde dehydrogenase; EC 1.2.1.79; EC 1.2.1.- from Escherichia coli (strain K12) (see paper)
38% identity, 100% coverage: 2:480/480 of query aligns to 6:481/482 of P25526
5ac0A Ovis aries aldehyde dehydrogenase 1a1 in complex with a duocarmycin analog (see paper)
42% identity, 98% coverage: 10:479/480 of query aligns to 17:487/494 of 5ac0A
- active site: N163 (= N152), K186 (= K175), E262 (= E250), C296 (= C284), E393 (= E383), E470 (= E462)
- binding 1-[(1S)-1-methyl-5-oxidanyl-1,2-dihydrobenzo[e]indol-3-yl]hexan-1-one: M114 (≠ G102), F164 (= F153), W171 (= W160), Y290 (= Y278), C295 (≠ R283), C296 (= C284)
- binding nicotinamide-adenine-dinucleotide: I159 (= I148), I160 (≠ T149), P161 (= P150), W162 (= W151), K186 (= K175), E189 (≠ D178), G219 (= G208), G223 (= G212), A224 (≠ E213), F237 (= F226), G239 (= G228), S240 (= S229), V243 (= V232), G264 (= G252), C296 (= C284), Q343 (= Q331), K346 (≠ Q334), E393 (= E383)
5abmA Sheep aldehyde dehydrogenase 1a1 (see paper)
42% identity, 98% coverage: 10:479/480 of query aligns to 17:487/494 of 5abmA
- active site: N163 (= N152), K186 (= K175), E262 (= E250), C296 (= C284), E393 (= E383), E470 (= E462)
- binding [[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate: I159 (= I148), I160 (≠ T149), P161 (= P150), W162 (= W151), K186 (= K175), E189 (≠ D178), G219 (= G208), G223 (= G212), F237 (= F226), G239 (= G228), S240 (= S229), V243 (= V232), G264 (= G252), Q343 (= Q331), K346 (≠ Q334), E393 (= E383), F395 (= F385)
1bxsA Sheep liver class 1 aldehyde dehydrogenase with NAD bound (see paper)
42% identity, 98% coverage: 10:479/480 of query aligns to 17:487/494 of 1bxsA
- active site: N163 (= N152), K186 (= K175), E262 (= E250), C296 (= C284), E393 (= E383), E470 (= E462)
- binding nicotinamide-adenine-dinucleotide: I159 (= I148), I160 (≠ T149), P161 (= P150), W162 (= W151), K186 (= K175), E189 (≠ D178), G219 (= G208), G223 (= G212), F237 (= F226), G239 (= G228), S240 (= S229), V243 (= V232), L263 (≠ M251), C296 (= C284), Q343 (= Q331), K346 (≠ Q334), E393 (= E383), F395 (= F385)
P51977 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 Ovis aries (Sheep) (see 2 papers)
42% identity, 98% coverage: 10:479/480 of query aligns to 24:494/501 of P51977
3jz4A Crystal structure of e. Coli NADP dependent enzyme (see paper)
38% identity, 100% coverage: 2:480/480 of query aligns to 5:480/481 of 3jz4A
- active site: N156 (= N152), K179 (= K175), E254 (= E250), C288 (= C284), E385 (= E383), E462 (= E462)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: P154 (= P150), W155 (= W151), K179 (= K175), A181 (= A177), S182 (≠ D178), A212 (≠ G208), G216 (= G212), G232 (= G228), S233 (= S229), I236 (≠ V232), C288 (= C284), K338 (≠ Q334), E385 (= E383), F387 (= F385)
5gtlA NADPH complex structure of aldehyde dehydrogenase from bacillus cereus
38% identity, 98% coverage: 10:479/480 of query aligns to 20:488/491 of 5gtlA
- active site: N165 (= N152), K188 (= K175), E263 (= E250), C297 (= C284), E394 (= E383), E471 (= E462)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (= I148), P163 (= P150), K188 (= K175), A190 (= A177), E191 (≠ D178), Q192 (≠ L179), G221 (= G208), G225 (= G212), G241 (= G228), S242 (= S229), T245 (≠ V232), L264 (≠ M251), C297 (= C284), E394 (= E383), F396 (= F385)
5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
38% identity, 98% coverage: 10:479/480 of query aligns to 20:488/491 of 5gtkA
- active site: N165 (= N152), K188 (= K175), E263 (= E250), C297 (= C284), E394 (= E383), E471 (= E462)
- binding nicotinamide-adenine-dinucleotide: I161 (= I148), I162 (≠ T149), P163 (= P150), W164 (= W151), K188 (= K175), E191 (≠ D178), G221 (= G208), G225 (= G212), A226 (≠ E213), F239 (= F226), G241 (= G228), S242 (= S229), T245 (≠ V232), Y248 (≠ G235), L264 (≠ M251), C297 (= C284), Q344 (= Q331), R347 (≠ Q334), E394 (= E383), F396 (= F385)
4go2A Crystal structure of thE C-terminal domain of 10'formyltetrahydrofolate dehydrogenase in complex with thio-NADP (see paper)
38% identity, 98% coverage: 7:476/480 of query aligns to 18:493/498 of 4go2A
- active site: N170 (= N152), K193 (= K175), E269 (= E250), C303 (= C284), E400 (= E383), D479 (≠ E462)
- binding 7-thionicotinamide-adenine-dinucleotide phosphate: V166 (≠ I148), I167 (≠ T149), P168 (= P150), W169 (= W151), K193 (= K175), A195 (= A177), Q196 (≠ D178), S225 (≠ K207), G226 (= G208), G230 (= G212), Q231 (≠ E213), F244 (= F226), G246 (= G228), S247 (= S229), V250 (= V232), I254 (= I236), E269 (= E250), G271 (= G252), C303 (= C284), E400 (= E383), F402 (= F385)
2o2rA Crystal structure of thE C-terminal domain of rat 10'formyltetrahydrofolate dehydrogenase in complex with NADPH (see paper)
38% identity, 98% coverage: 7:476/480 of query aligns to 18:493/498 of 2o2rA
- active site: N170 (= N152), K193 (= K175), E269 (= E250), C303 (= C284), E400 (= E383), D479 (≠ E462)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: V166 (≠ I148), I167 (≠ T149), W169 (= W151), K193 (= K175), A195 (= A177), Q196 (≠ D178), S225 (≠ K207), G226 (= G208), G230 (= G212), Q231 (≠ E213), F244 (= F226), S247 (= S229), V250 (= V232), I254 (= I236)
7rluA Structure of aldh1l1 (10-formyltetrahydrofolate dehydrogenase) in complex with NADP (see paper)
38% identity, 98% coverage: 7:476/480 of query aligns to 103:578/583 of 7rluA
- binding nadp nicotinamide-adenine-dinucleotide phosphate: K278 (= K175), S310 (≠ K207), G311 (= G208), G315 (= G212), G331 (= G228), S332 (= S229), V335 (= V232)
- binding 4'-phosphopantetheine: K201 (≠ G102), F382 (≠ Y278), N387 (≠ R283), C388 (= C284), N545 (≠ T441)
P28037 Cytosolic 10-formyltetrahydrofolate dehydrogenase; 10-FTHFDH; FDH; Aldehyde dehydrogenase family 1 member L1; FBP-CI; EC 1.5.1.6 from Rattus norvegicus (Rat) (see 5 papers)
38% identity, 98% coverage: 7:476/480 of query aligns to 422:897/902 of P28037
- IPW 571:573 (≠ TPW 149:151) binding
- KPAQ 597:600 (≠ KPAD 175:178) binding
- GSLVGQ 630:635 (≠ GREVGE 208:213) binding
- GS 650:651 (= GS 228:229) binding
- E673 (= E250) mutation to A: Loss of aldehyde dehydrogenase activity.
- EL 673:674 (≠ EM 250:251) binding
- C707 (= C284) mutation to A: Loss of formyltetrahydrofolate dehydrogenase activity. No effect on formyltetrahydrofolate hydrolase activity. No effect on NADP binding. No effect on homotetramerization.
- K757 (≠ Q334) binding
- ESF 804:806 (≠ EIF 383:385) binding
Sites not aligning to the query:
- 142 Essential for catalytic activity; D→A: Loss of formyltetrahydrofolate dehydrogenase activity. Loss of formyltetrahydrofolate hydrolase activity. No effect on aldehyde dehydrogenase activity.
- 354 modified: O-(pantetheine 4'-phosphoryl)serine; S→A: Loss of phosphopantetheinylation. Loss of formyltetrahydrofolate dehydrogenase activity. No effect on hydrolase and aldehyde dehydrogenase activities in vitro.
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, 99% coverage: 4:479/480 of query aligns to 18:494/501 of P00352
- N121 (≠ G102) to S: in dbSNP:rs1049981
- IPWN 167:170 (≠ TPWN 149:152) binding
- I177 (≠ A159) to F: in dbSNP:rs8187929
- KPAE 193:196 (≠ KPAD 175:178) binding
- GP 226:227 (≠ GR 208:209) binding
- GS 246:247 (= GS 228:229) binding
- E269 (= E250) active site, Proton acceptor
- ELG 269:271 (≠ EMG 250:252) binding
- C302 (≠ R283) mutation C->A,S: Does not prevent inhibition by duocarmycin analogs.
- C303 (= C284) active site, Nucleophile
- EQYDK 349:353 (≠ AQLEQ 330:334) binding
- EIF 400:402 (= EIF 383:385) binding
- G458 (≠ A442) 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
40% identity, 99% coverage: 4:479/480 of query aligns to 10:486/493 of 5teiA
- active site: N162 (= N152), K185 (= K175), E261 (= E250), C295 (= C284), E392 (= E383), E469 (= E462)
- binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: S113 (≠ G102), F163 (= F153), H285 (≠ Q274), G286 (≠ S275), Y289 (= Y278), C295 (= C284), G450 (≠ A442), V452 (= V444), F458 (= F450)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I148), I159 (≠ T149), P160 (= P150), W161 (= W151), N162 (= N152), K185 (= K175), E188 (≠ D178), G218 (= G208), G222 (= G212), A223 (≠ E213), F236 (= F226), T237 (= T227), G238 (= G228), S239 (= S229), V242 (= V232), C295 (= C284), Q342 (= Q331), K345 (≠ Q334), E392 (= E383), F394 (= F385)
4x4lA Structure of human aldh1a1 with inhibitor cm037 (see paper)
40% identity, 99% coverage: 4:479/480 of query aligns to 10:486/493 of 4x4lA
- active site: N162 (= N152), K185 (= K175), E261 (= E250), C295 (= C284), E392 (= E383), E469 (= E462)
- binding ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate: S113 (≠ G102), M167 (≠ I157), W170 (= W160), Y289 (= Y278), G450 (≠ A442), F458 (= F450)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I148), I159 (≠ T149), P160 (= P150), W161 (= W151), K185 (= K175), E188 (≠ D178), G218 (= G208), G222 (= G212), F236 (= F226), T237 (= T227), G238 (= G228), S239 (= S229), V242 (= V232), C295 (= C284), Q342 (= Q331), K345 (≠ Q334), E392 (= E383), F394 (= F385)
4wb9A Human aldh1a1 complexed with nadh (see paper)
40% identity, 99% coverage: 4:479/480 of query aligns to 10:486/493 of 4wb9A
- active site: N162 (= N152), K185 (= K175), E261 (= E250), C295 (= C284), E392 (= E383), E469 (= E462)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I148), I159 (≠ T149), P160 (= P150), W161 (= W151), N162 (= N152), K185 (= K175), E188 (≠ D178), G218 (= G208), G222 (= G212), F236 (= F226), T237 (= T227), G238 (= G228), S239 (= S229), V242 (= V232), G263 (= G252), C295 (= C284), Q342 (= Q331), K345 (≠ Q334), E392 (= E383), F394 (= F385)
Query Sequence
>GFF374 Psest_0375 NAD-dependent aldehyde dehydrogenases
MADVQRYDNFIDGQWVGSDRYQANTNPSDLSDVIGEYAQADAAQVEQAIAAARRAFPAWA
TFGIQARADALEKVGLEILARREELGTLLAREEGKTLPEAIGEVARAGNIFKYFAGECLR
QAGETLQSVRPGVGVEVTREPLGVIGLITPWNFPIAIPAWKIAPALAFGNCVVIKPADLV
PGCAWAIAEIISRAGFPAGVFNLVMGKGREVGEAIVNAKDVDAVSFTGSVGVGRGIAQTC
VARGAKVQLEMGGKNPQIVLDDADLNVAVELCTQSAFYSTGQRCTASSRIIVTEGIYDRF
VEAMVERIKKIKVGSALEQGVDVGPVVSEAQLEQDLRYIEIGKQEGARLACGGERVKCGT
EGYFLAPTLFVDSDPNMRISREEIFGPVANVVKVKDYDEALAMANDTEFGLSAGICTTSL
KYANHFKRHAQAGMVMINLPTAGVDYHVPFGGRKGSSYGPREQGRYAQEFYTTVKTTYIG
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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