SitesBLAST
Comparing SMc01656 SMc01656 gamma-aminobutyraldehyde dehydrogenase 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)
4f3xA Crystal structure of putative aldehyde dehydrogenase from sinorhizobium meliloti 1021 complexed with NAD
100% identity, 100% coverage: 1:475/475 of query aligns to 2:476/476 of 4f3xA
- active site: N150 (= N149), K173 (= K172), E247 (= E246), C281 (= C280), E379 (= E378), D456 (= D455)
- binding nicotinamide-adenine-dinucleotide: I146 (= I145), A147 (= A146), P148 (= P147), W149 (= W148), K173 (= K172), E176 (= E175), G205 (= G204), G209 (= G208), I213 (= I212), I223 (= I222), G225 (= G224), D226 (= D225), T229 (= T228), G249 (= G248), C281 (= C280), Q328 (= Q327), R331 (= R330), E379 (= E378), F381 (= F380)
1wndA Escherichia coli ydcw gene product is a medium-chain aldehyde dehydrogenase as determined by kinetics and crystal structure (see paper)
61% identity, 100% coverage: 1:474/475 of query aligns to 1:474/474 of 1wndA
- active site: N149 (= N149), K172 (= K172), E246 (= E246), C280 (= C280), E378 (= E378), D455 (= D455)
- binding calcium ion: G249 (= G249), K250 (= K250), A251 (= A251), G405 (= G405), L406 (= L406), A407 (= A407), Y427 (= Y427)
1wnbB Escherichia coli ydcw gene product is a medium-chain aldehyde dehydrogenase (complexed with nadh and betaine aldehyde) (see paper)
61% identity, 100% coverage: 1:474/475 of query aligns to 1:474/474 of 1wnbB
- active site: N149 (= N149), K172 (= K172), E246 (= E246), C280 (= C280), E378 (= E378), D455 (= D455)
- binding betaine aldehyde: D279 (= D279), F436 (= F436), L438 (= L438)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I145 (= I145), A146 (= A146), W148 (= W148), K172 (= K172), G204 (= G204), G208 (= G208), D209 (≠ N209), T223 (= T223), G224 (= G224), S225 (≠ D225), T228 (= T228), H231 (≠ K231), G248 (= G248), E378 (= E378)
1wnbA Escherichia coli ydcw gene product is a medium-chain aldehyde dehydrogenase (complexed with nadh and betaine aldehyde) (see paper)
61% identity, 100% coverage: 1:474/475 of query aligns to 1:474/474 of 1wnbA
- active site: N149 (= N149), K172 (= K172), E246 (= E246), C280 (= C280), E378 (= E378), D455 (= D455)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I145 (= I145), A146 (= A146), W148 (= W148), K172 (= K172), G204 (= G204), G208 (= G208), D209 (≠ N209), G224 (= G224), S225 (≠ D225), T228 (= T228), H231 (≠ K231), G248 (= G248), F380 (= F380)
P77674 Gamma-aminobutyraldehyde dehydrogenase; ABALDH; 1-pyrroline dehydrogenase; 4-aminobutanal dehydrogenase; 5-aminopentanal dehydrogenase; EC 1.2.1.19; EC 1.2.1.- from Escherichia coli (strain K12) (see paper)
61% identity, 100% coverage: 1:474/475 of query aligns to 1:474/474 of P77674
4o6rA Crystal structure of a putative aldehyde dehydrogenase from burkholderia cenocepacia
41% identity, 100% coverage: 1:473/475 of query aligns to 2:478/489 of 4o6rA
- active site: N150 (= N149), K173 (= K172), E248 (= E246), C282 (= C280), E383 (= E378), E460 (≠ D455)
- binding adenosine monophosphate: I146 (= I145), V147 (≠ A146), K173 (= K172), G206 (= G204), G210 (= G208), Q211 (≠ N209), F224 (≠ I222), G226 (= G224), S227 (≠ D225), T230 (= T228), R233 (≠ K231)
4go4A Crystal structure of pnpe in complex with nicotinamide adenine dinucleotide
40% identity, 100% coverage: 1:473/475 of query aligns to 1:476/487 of 4go4A
- active site: N149 (= N149), K172 (= K172), E247 (= E246), C281 (= C280), E381 (= E378), E458 (≠ D455)
- binding nicotinamide-adenine-dinucleotide: I145 (= I145), V146 (≠ A146), W148 (= W148), N149 (= N149), F154 (≠ M154), K172 (= K172), G205 (= G204), G209 (= G208), Q210 (≠ N209), F223 (≠ I222), T224 (= T223), G225 (= G224), S226 (≠ D225), T229 (= T228), E247 (= E246), G249 (= G248), C281 (= C280), E381 (= E378), F383 (= F380)
5gtlA NADPH complex structure of aldehyde dehydrogenase from bacillus cereus
38% identity, 95% coverage: 23:473/475 of query aligns to 38:489/491 of 5gtlA
- active site: N165 (= N149), K188 (= K172), E263 (= E246), C297 (= C280), E394 (= E378), E471 (≠ D455)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (= I145), P163 (= P147), K188 (= K172), A190 (≠ S174), E191 (= E175), Q192 (= Q176), G221 (= G204), G225 (= G208), G241 (= G224), S242 (≠ D225), T245 (= T228), L264 (= L247), C297 (= C280), E394 (= E378), F396 (= F380)
5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
38% identity, 95% coverage: 23:473/475 of query aligns to 38:489/491 of 5gtkA
- active site: N165 (= N149), K188 (= K172), E263 (= E246), C297 (= C280), E394 (= E378), E471 (≠ D455)
- binding nicotinamide-adenine-dinucleotide: I161 (= I145), I162 (≠ A146), P163 (= P147), W164 (= W148), K188 (= K172), E191 (= E175), G221 (= G204), G225 (= G208), A226 (≠ N209), F239 (≠ I222), G241 (= G224), S242 (≠ D225), T245 (= T228), Y248 (≠ K231), L264 (= L247), C297 (= C280), Q344 (= Q327), R347 (= R330), E394 (= E378), F396 (= F380)
O94788 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Homo sapiens (Human) (see 6 papers)
37% identity, 95% coverage: 21:473/475 of query aligns to 57:512/518 of O94788
- A110 (= A71) to V: in dbSNP:rs35365164
- Q182 (≠ S144) to K: in DIH4; decreased retinoic acid biosynthetic process
- IPW 184:186 (≠ APW 146:148) binding
- KPAE 210:213 (≠ KPSE 172:175) binding
- STE 264:266 (≠ DIA 225:227) binding
- C320 (= C280) active site, Nucleophile
- R347 (≠ I307) to H: in DIH4; decreased expression; dbSNP:rs141245344
- V348 (≠ R308) to I: in dbSNP:rs4646626
- KQYNK 366:370 (≠ RQRDR 326:330) binding
- A383 (≠ H343) to T: in DIH4; uncertain significance; dbSNP:rs749124508
- E417 (= E378) binding
- E436 (≠ A397) to K: in dbSNP:rs34744827
- S461 (≠ A422) to Y: in DIH4; decreased retinoic acid biosynthetic process
Sites not aligning to the query:
- 50 E → G: in dbSNP:rs34266719
6b5hA Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) (see paper)
37% identity, 95% coverage: 21:472/475 of query aligns to 31:485/492 of 6b5hA
- active site: N161 (= N149), E260 (= E246), C294 (= C280), E468 (≠ D455)
- binding 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide: V112 (≠ D99), G116 (≠ A103), F162 (≠ Y150), W169 (= W157), Q284 (≠ T270), F288 (≠ Y274), T295 (= T281), N449 (≠ F436), L451 (= L438), N452 (≠ T439), F457 (≠ H444)
- binding nicotinamide-adenine-dinucleotide: I157 (= I145), I158 (≠ A146), W160 (= W148), N161 (= N149), K184 (= K172), G217 (= G204), G221 (= G208), F235 (≠ I222), T236 (= T223), G237 (= G224), S238 (≠ D225), V241 (≠ T228), E260 (= E246), L261 (= L247), C294 (= C280), F393 (= F380)
6b5gA Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) (see paper)
37% identity, 95% coverage: 21:472/475 of query aligns to 31:485/492 of 6b5gA
- active site: N161 (= N149), E260 (= E246), C294 (= C280), E468 (≠ D455)
- binding (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone: F162 (≠ Y150), L165 (≠ M153), W169 (= W157), F288 (≠ Y274), C293 (≠ D279), C294 (= C280), T295 (= T281), N449 (≠ F436), L451 (= L438)
- binding nicotinamide-adenine-dinucleotide: I157 (= I145), I158 (≠ A146), P159 (= P147), W160 (= W148), N161 (= N149), M166 (= M154), K184 (= K172), E187 (= E175), G217 (= G204), G221 (= G208), F235 (≠ I222), T236 (= T223), G237 (= G224), S238 (≠ D225), V241 (≠ T228), E260 (= E246), L261 (= L247), C294 (= C280), E391 (= E378), F393 (= F380)
6aljA Aldh1a2 liganded with NAD and compound win18,446 (see paper)
37% identity, 95% coverage: 21:472/475 of query aligns to 31:485/492 of 6aljA
- active site: N161 (= N149), E260 (= E246), C294 (= C280), E468 (≠ D455)
- binding N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide): G116 (≠ A103), F162 (≠ Y150), L165 (≠ M153), M166 (= M154), W169 (= W157), E260 (= E246), C293 (≠ D279), C294 (= C280), L451 (= L438), N452 (≠ T439), A453 (≠ N440)
- binding nicotinamide-adenine-dinucleotide: I157 (= I145), I158 (≠ A146), P159 (= P147), W160 (= W148), N161 (= N149), K184 (= K172), E187 (= E175), G217 (= G204), G221 (= G208), F235 (≠ I222), G237 (= G224), S238 (≠ D225), V241 (≠ T228), Q341 (= Q327), K344 (≠ R330), E391 (= E378), F393 (= F380)
Q63639 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Rattus norvegicus (Rat) (see paper)
37% identity, 95% coverage: 21:473/475 of query aligns to 57:512/518 of Q63639
7qk9A Crystal structure of the aldh1a3-atp complex (see paper)
38% identity, 95% coverage: 23:475/475 of query aligns to 34:489/489 of 7qk9A
- binding adenosine-5'-triphosphate: I158 (= I145), T159 (≠ A146), P160 (= P147), W161 (= W148), K185 (= K172), E188 (= E175), G218 (= G204), G222 (= G208), F236 (≠ I222), S239 (≠ D225), V242 (≠ T228)
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)
38% identity, 95% coverage: 23:475/475 of query aligns to 53:508/512 of P47895
- R89 (≠ S56) to C: in MCOP8; does not affect ALDH1A3 expression; results in strongly reduced protein levels; dbSNP:rs397514652
- K204 (= K172) binding
- E207 (= E175) binding
- GSTEVG 257:262 (≠ GDIATG 224:229) binding
- Q361 (= Q327) binding
- E411 (= E378) binding
- A493 (= A460) 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
7a6qB Crystal structure of human aldehyde dehydrogenase 1a3 in complex with selective nr6 inhibitor compound (see paper)
37% identity, 95% coverage: 23:473/475 of query aligns to 35:488/489 of 7a6qB
- active site: N163 (= N149), E262 (= E246), C296 (= C280), E470 (≠ D455)
- binding nicotinamide-adenine-dinucleotide: I159 (= I145), W162 (= W148), K186 (= K172), E189 (= E175), G219 (= G204), G223 (= G208), S240 (≠ D225), V243 (≠ T228), K342 (≠ R326)
- binding (3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium: P36 (= P24), D103 (≠ N88), E189 (= E175), Q190 (= Q176), F218 (≠ R203), I339 (= I323), D340 (≠ S324)
- binding 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile: G118 (≠ A103), D141 (≠ H130), N143 (≠ S132), N451 (≠ F436), L453 (= L438), A455 (≠ N440)
Sites not aligning to the query:
7a6qA Crystal structure of human aldehyde dehydrogenase 1a3 in complex with selective nr6 inhibitor compound (see paper)
37% identity, 95% coverage: 23:473/475 of query aligns to 35:488/489 of 7a6qA
- active site: N163 (= N149), E262 (= E246), C296 (= C280), E470 (≠ D455)
- binding nicotinamide-adenine-dinucleotide: I159 (= I145), T160 (≠ A146), W162 (= W148), K186 (= K172), A188 (≠ S174), E189 (= E175), G219 (= G204), G223 (= G208), S240 (≠ D225), V243 (≠ T228), K342 (≠ R326), K346 (≠ R330)
- binding 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile: G118 (≠ A103), D141 (≠ H130), N143 (≠ S132), N451 (≠ F436), L453 (= L438), Y454 (≠ T439)
5fhzA Human aldehyde dehydrogenase 1a3 complexed with NAD(+) and retinoic acid (see paper)
37% identity, 95% coverage: 23:473/475 of query aligns to 35:488/489 of 5fhzA
- active site: N163 (= N149), K186 (= K172), E262 (= E246), C296 (= C280), E393 (= E378), E470 (≠ D455)
- binding nicotinamide-adenine-dinucleotide: I159 (= I145), T160 (≠ A146), W162 (= W148), K186 (= K172), E189 (= E175), G219 (= G204), G223 (= G208), F237 (≠ I222), G239 (= G224), S240 (≠ D225), T241 (≠ I226), V243 (≠ T228), G264 (= G248), Q343 (= Q327), E393 (= E378)
- binding retinoic acid: G118 (≠ A103), R121 (≠ D106), F164 (≠ Y150), M168 (= M154), W171 (= W157), C295 (≠ D279), C296 (= C280), L453 (= L438)
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)
37% identity, 99% coverage: 4:473/475 of query aligns to 20:494/505 of 4neaA
- active site: N166 (= N149), K189 (= K172), E264 (= E246), C298 (= C280), E399 (= E378), E476 (≠ D455)
- binding nicotinamide-adenine-dinucleotide: P164 (= P147), K189 (= K172), E192 (= E175), G222 (= G204), G226 (= G208), G242 (= G224), G243 (≠ D225), T246 (= T228), H249 (≠ K231), I250 (≠ V232), C298 (= C280), E399 (= E378), F401 (= F380)
Query Sequence
>SMc01656 SMc01656 gamma-aminobutyraldehyde dehydrogenase
MDTQLLIGSRFEAGTEAEEHILNPRTGAGIIDLAEASHAQIDAAVDAAERAFVGWSQTTP
AERSNALLKIADAIEKEADEFAALEALNCGKPINAVKNDELPAIIDCWRFFAGAVRNLHA
PAAGEYLPGHTSMIRRDPIGIVGSIAPWNYPLMMMAWKLAPAIGGGNTVVFKPSEQTPLT
ALKLARLIADILPEGVVNVITGRGETVGNALINHPKVGMVSITGDIATGKKVLAAAAKTV
KRTHLELGGKAPVIVYGDADLEAVVNGIRTFGYYNAGQDCTAACRIYAEAGIYEKLVADL
TSAVSTIRYNLDDDTENEIGPLISRRQRDRVASFVERAADQKHIEITTGGRTGSDEGFFF
QPTVVAGATQEDEIVRREVFGPVVSVTRFTGKDDAVAWANDSDYGLASSVWTKDISKAMR
AASRLQYGCTWINTHFMLTNEMPHGGIKQSGYGKDMSVYALEDYTAVRHIMINHG
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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