SitesBLAST
Comparing H281DRAFT_03016 H281DRAFT_03016 aldehyde dehydrogenase (acceptor) 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)
5gtlA NADPH complex structure of aldehyde dehydrogenase from bacillus cereus
47% identity, 97% coverage: 12:481/483 of query aligns to 19:490/491 of 5gtlA
- active site: N165 (= N156), K188 (= K179), E263 (= E254), C297 (= C288), E394 (= E385), E471 (= E462)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (= I152), P163 (= P154), K188 (= K179), A190 (= A181), E191 (= E182), Q192 (≠ I183), G221 (= G212), G225 (= G216), G241 (= G232), S242 (= S233), T245 (≠ V236), L264 (= L255), C297 (= C288), E394 (= E385), F396 (= F387)
5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
47% identity, 97% coverage: 12:481/483 of query aligns to 19:490/491 of 5gtkA
- active site: N165 (= N156), K188 (= K179), E263 (= E254), C297 (= C288), E394 (= E385), E471 (= E462)
- binding nicotinamide-adenine-dinucleotide: I161 (= I152), I162 (≠ V153), P163 (= P154), W164 (= W155), K188 (= K179), E191 (= E182), G221 (= G212), G225 (= G216), A226 (≠ D217), F239 (= F230), G241 (= G232), S242 (= S233), T245 (≠ V236), Y248 (≠ G239), L264 (= L255), C297 (= C288), Q344 (= Q335), R347 (≠ T338), E394 (= E385), F396 (= F387)
O14293 Putative aldehyde dehydrogenase-like protein C9E9.09c; EC 1.2.1.- from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
46% identity, 97% coverage: 12:481/483 of query aligns to 25:497/503 of O14293
- S248 (= S233) modified: Phosphoserine
Sites not aligning to the query:
- 501 modified: Phosphoserine
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)
48% identity, 94% coverage: 31:483/483 of query aligns to 59:515/518 of Q63639
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)
48% identity, 94% coverage: 31:483/483 of query aligns to 59:515/518 of O94788
- A110 (= A79) to V: in dbSNP:rs35365164
- Q182 (≠ A151) to K: in DIH4; decreased retinoic acid biosynthetic process
- IPW 184:186 (≠ VPW 153:155) binding
- KPAE 210:213 (= KPAE 179:182) binding
- STE 264:266 (≠ SPS 233:235) binding
- C320 (= C288) active site, Nucleophile
- R347 (≠ I315) to H: in DIH4; decreased expression; dbSNP:rs141245344
- V348 (≠ K316) to I: in dbSNP:rs4646626
- KQYNK 366:370 (≠ AQMKT 334:338) binding
- A383 (= A351) to T: in DIH4; uncertain significance; dbSNP:rs749124508
- E417 (= E385) binding
- E436 (≠ R404) to K: in dbSNP:rs34744827
- S461 (≠ A429) 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)
48% identity, 94% coverage: 31:483/483 of query aligns to 33:489/492 of 6b5hA
- active site: N161 (= N156), E260 (= E254), C294 (= C288), E468 (= E462)
- binding 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide: V112 (≠ Q107), G116 (≠ A111), F162 (= F157), W169 (= W164), Q284 (≠ S278), F288 (= F282), T295 (≠ S289), N449 (≠ G443), L451 (≠ T445), N452 (≠ D446), F457 (≠ W451)
- binding nicotinamide-adenine-dinucleotide: I157 (= I152), I158 (≠ V153), W160 (= W155), N161 (= N156), K184 (= K179), G217 (= G212), G221 (= G216), F235 (= F230), T236 (= T231), G237 (= G232), S238 (= S233), V241 (= V236), E260 (= E254), L261 (= L255), C294 (= C288), F393 (= F387)
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)
48% identity, 94% coverage: 31:483/483 of query aligns to 33:489/492 of 6b5gA
- active site: N161 (= N156), E260 (= E254), C294 (= C288), E468 (= E462)
- binding (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone: F162 (= F157), L165 (≠ M160), W169 (= W164), F288 (= F282), C293 (≠ V287), C294 (= C288), T295 (≠ S289), N449 (≠ G443), L451 (≠ T445)
- binding nicotinamide-adenine-dinucleotide: I157 (= I152), I158 (≠ V153), P159 (= P154), W160 (= W155), N161 (= N156), M166 (≠ I161), K184 (= K179), E187 (= E182), G217 (= G212), G221 (= G216), F235 (= F230), T236 (= T231), G237 (= G232), S238 (= S233), V241 (= V236), E260 (= E254), L261 (= L255), C294 (= C288), E391 (= E385), F393 (= F387)
6aljA Aldh1a2 liganded with NAD and compound win18,446 (see paper)
48% identity, 94% coverage: 31:483/483 of query aligns to 33:489/492 of 6aljA
- active site: N161 (= N156), E260 (= E254), C294 (= C288), E468 (= E462)
- binding N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide): G116 (≠ A111), F162 (= F157), L165 (≠ M160), M166 (≠ I161), W169 (= W164), E260 (= E254), C293 (≠ V287), C294 (= C288), L451 (≠ T445), N452 (≠ D446), A453 (≠ V447)
- binding nicotinamide-adenine-dinucleotide: I157 (= I152), I158 (≠ V153), P159 (= P154), W160 (= W155), N161 (= N156), K184 (= K179), E187 (= E182), G217 (= G212), G221 (= G216), F235 (= F230), G237 (= G232), S238 (= S233), V241 (= V236), Q341 (= Q335), K344 (≠ T338), E391 (= E385), F393 (= F387)
7um9A Human aldh1a1 with bound compound cm38 (see paper)
45% identity, 100% coverage: 3:483/483 of query aligns to 7:491/494 of 7um9A
- binding nicotinamide-adenine-dinucleotide: I159 (= I152), I160 (≠ V153), P161 (= P154), W162 (= W155), N163 (= N156), K186 (= K179), E189 (= E182), G219 (= G212), G223 (= G216), F237 (= F230), T238 (= T231), G239 (= G232), S240 (= S233), V243 (= V236), E262 (= E254), G264 (= G256), Q343 (= Q335), K346 (≠ T338), E393 (= E385), F395 (= F387)
- binding (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone: W171 (= W164), H286 (≠ S278), Y290 (≠ F282), I297 (≠ S289), G451 (= G443)
5l2oA Crystal structure of aldh1a1 in complex with buc22 (see paper)
45% identity, 100% coverage: 3:483/483 of query aligns to 7:491/494 of 5l2oA
5l2nA Structure of aldh1a1 in complex with buc25 (see paper)
45% identity, 100% coverage: 3:483/483 of query aligns to 7:491/494 of 5l2nA
- active site: N163 (= N156), K186 (= K179), E262 (= E254), C296 (= C288), E393 (= E385), E470 (= E462)
- binding 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate: F164 (= F157), M168 (≠ I161), W171 (= W164), H286 (≠ S278), G287 (= G279), Y290 (≠ F282), C295 (≠ V287), C296 (= C288), I297 (≠ S289), Y450 (= Y442), G451 (= G443), V453 (≠ T445), F459 (≠ W451)
5l2mA Structure of aldh1a1 in complex with buc11 (see paper)
45% identity, 100% coverage: 3:483/483 of query aligns to 7:491/494 of 5l2mA
- active site: N163 (= N156), K186 (= K179), E262 (= E254), C296 (= C288), E393 (= E385), E470 (= E462)
- binding 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one: F164 (= F157), F283 (≠ A275), H286 (≠ S278), Y290 (≠ F282)
4wpnA Structure of human aldh1a1 with inhibitor cm053 (see paper)
45% identity, 100% coverage: 3:483/483 of query aligns to 7:491/494 of 4wpnA
- active site: N163 (= N156), K186 (= K179), E262 (= E254), C296 (= C288), E393 (= E385), E470 (= E462)
- 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 (= F157), H286 (≠ S278), G287 (= G279), Y290 (≠ F282), C295 (≠ V287), I297 (≠ S289), G451 (= G443), V453 (≠ T445)
4wb9A Human aldh1a1 complexed with nadh (see paper)
45% identity, 100% coverage: 3:483/483 of query aligns to 6:490/493 of 4wb9A
- active site: N162 (= N156), K185 (= K179), E261 (= E254), C295 (= C288), E392 (= E385), E469 (= E462)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I152), I159 (≠ V153), P160 (= P154), W161 (= W155), N162 (= N156), K185 (= K179), E188 (= E182), G218 (= G212), G222 (= G216), F236 (= F230), T237 (= T231), G238 (= G232), S239 (= S233), V242 (= V236), G263 (= G256), C295 (= C288), Q342 (= Q335), K345 (≠ T338), E392 (= E385), F394 (= F387)
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)
45% identity, 100% coverage: 3:483/483 of query aligns to 14:498/501 of P00352
- N121 (≠ Q107) to S: in dbSNP:rs1049981
- IPWN 167:170 (≠ VPWN 153:156) binding
- I177 (≠ M163) to F: in dbSNP:rs8187929
- KPAE 193:196 (= KPAE 179:182) binding
- GP 226:227 (≠ GR 212:213) binding
- GS 246:247 (= GS 232:233) binding
- E269 (= E254) active site, Proton acceptor
- ELG 269:271 (= ELG 254:256) binding
- C302 (≠ V287) mutation C->A,S: Does not prevent inhibition by duocarmycin analogs.
- C303 (= C288) active site, Nucleophile
- EQYDK 349:353 (≠ AQMKT 334:338) binding
- EIF 400:402 (= EIF 385:387) binding
- G458 (= G443) 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
7jwwA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
45% identity, 100% coverage: 3:483/483 of query aligns to 7:491/494 of 7jwwA
- active site: N163 (= N156), K186 (= K179), E262 (= E254), C296 (= C288), E393 (= E385), E470 (= E462)
- 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 (≠ A111), T122 (= T115), F164 (= F157), M168 (≠ I161), Y290 (≠ F282), C295 (≠ V287), C296 (= C288), I297 (≠ S289), V453 (≠ T445), F459 (≠ W451)
7jwvA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
45% identity, 100% coverage: 3:483/483 of query aligns to 7:491/494 of 7jwvA
- active site: N163 (= N156), K186 (= K179), E262 (= E254), C296 (= C288), E393 (= E385), E470 (= E462)
- binding 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ A111), T122 (= T115), F164 (= F157), M168 (≠ I161), Y290 (≠ F282), C295 (≠ V287), I297 (≠ S289), V453 (≠ T445), F459 (≠ W451)
7jwuA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
45% identity, 100% coverage: 3:483/483 of query aligns to 7:491/494 of 7jwuA
- active site: N163 (= N156), K186 (= K179), E262 (= E254), C296 (= C288), E393 (= E385), E470 (= E462)
- binding nicotinamide-adenine-dinucleotide: I159 (= I152), I160 (≠ V153), P161 (= P154), W162 (= W155), N163 (= N156), K186 (= K179), E189 (= E182), G219 (= G212), G223 (= G216), A224 (≠ D217), F237 (= F230), T238 (= T231), G239 (= G232), S240 (= S233), V243 (= V236), L263 (= L255), C296 (= C288), Q343 (= Q335), K346 (≠ T338), E393 (= E385), F395 (= F387)
- 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 (= T115), F164 (= F157), W171 (= W164), Y290 (≠ F282), C295 (≠ V287), I297 (≠ S289), V453 (≠ T445), F459 (≠ W451)
7jwtA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
45% identity, 100% coverage: 3:483/483 of query aligns to 7:491/494 of 7jwtA
- active site: N163 (= N156), K186 (= K179), E262 (= E254), C296 (= C288), E393 (= E385), E470 (= E462)
- binding 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ A111), T122 (= T115), F164 (= F157), M168 (≠ I161), W171 (= W164), Y290 (≠ F282), C295 (≠ V287), V453 (≠ T445), F459 (≠ W451)
7jwsA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
45% identity, 100% coverage: 3:483/483 of query aligns to 7:491/494 of 7jwsA
- active site: N163 (= N156), K186 (= K179), E262 (= E254), C296 (= C288), E393 (= E385), E470 (= E462)
- binding 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ A111), T122 (= T115), F164 (= F157), M168 (≠ I161), W171 (= W164), Y290 (≠ F282), C295 (≠ V287), I297 (≠ S289), V453 (≠ T445), F459 (≠ W451)
Query Sequence
>H281DRAFT_03016 H281DRAFT_03016 aldehyde dehydrogenase (acceptor)
MDTDTGLRRHDLLIDGKRLPPGTGEYSVNINPATEEPIAHVAQGSAADVDTAVRAARAAL
KVWNGIKAAERGRILSRLAGLMRANLDELAALESLDAGKPIAAVMRQDVPAAIDTLEYYA
GWCDKINGQVVPVRPDALTYTLREPVGVVAAIVPWNFPLMIGMWKIAPALACGCTLIVKP
AEITPLSALRIGELALEAGVPPGVLNIVTGKGRVVGDALVAHPGVDKVTFTGSPSVGRGI
LQGAAGNFKRVTLELGGKSANLIFPDANLDNAVRAAASGIFFNTGQVCSAGSRILAHRDV
YDEVVERLAARAKSIKVGDPSSRETSMGPLISAAQMKTVLGYVDAGRSEGASLVTGGGRI
GERGFFVEPTVFANVEHEMRISQEEIFGPVASVIRFNDEADAIRIANGTLYSLAAGVWSA
DIGRVHRVARDLRAGTVWINTYGYTDVRLPWGGSGDSGFGREHGDVAIENFTEPKAVWLA
IDQ
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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