SitesBLAST
Comparing GFF4005 HP15_3945 aldehyde dehydrogenase family protein 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)
6x9lA Crystal structure of aldehyde dehydrogenasE C (aldc) mutant (c291a) from pseudomonas syringae in complexed with NAD+ and octanal (see paper)
43% identity, 98% coverage: 8:469/471 of query aligns to 15:477/485 of 6x9lA
- active site: N154 (= N146), E252 (= E244), A286 (≠ C278), E462 (= E454)
- binding nicotinamide-adenine-dinucleotide: I150 (= I142), T151 (= T143), W153 (= W145), N154 (= N146), Q159 (= Q151), K177 (= K169), E180 (= E172), G210 (= G202), P211 (≠ H203), G214 (= G206), T229 (= T221), G230 (= G222), S231 (= S223), E252 (= E244), L253 (≠ M245), A286 (≠ C278), E386 (= E378), F388 (= F380), F451 (= F443)
- binding octanal: W155 (≠ Y147), S285 (≠ T277)
3ty7B Crystal structure of aldehyde dehydrogenase family protein from staphylococcus aureus
41% identity, 100% coverage: 1:469/471 of query aligns to 2:449/454 of 3ty7B
3b4wA Crystal structure of mycobacterium tuberculosis aldehyde dehydrogenase complexed with NAD+
40% identity, 100% coverage: 2:471/471 of query aligns to 3:477/483 of 3b4wA
- active site: N154 (= N146), K177 (= K169), E251 (= E244), C285 (= C278), E384 (= E378), E460 (= E454)
- binding nicotinamide-adenine-dinucleotide: I150 (= I142), V151 (≠ T143), W153 (= W145), N154 (= N146), K177 (= K169), I210 (≠ H203), G213 (= G206), T228 (= T221), G229 (= G222), S230 (= S223), V233 (≠ T226), E236 (≠ L229), E251 (= E244), L252 (≠ M245), C285 (= C278), E384 (= E378), F386 (= F380)
5gtlA NADPH complex structure of aldehyde dehydrogenase from bacillus cereus
37% identity, 100% coverage: 1:469/471 of query aligns to 13:486/491 of 5gtlA
- active site: N165 (= N146), K188 (= K169), E263 (= E244), C297 (= C278), E394 (= E378), E471 (= E454)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (= I142), P163 (= P144), K188 (= K169), A190 (≠ S171), E191 (= E172), Q192 (≠ I173), G221 (= G202), G225 (= G206), G241 (= G222), S242 (= S223), T245 (= T226), L264 (≠ M245), C297 (= C278), E394 (= E378), F396 (= F380)
5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
37% identity, 100% coverage: 1:469/471 of query aligns to 13:486/491 of 5gtkA
- active site: N165 (= N146), K188 (= K169), E263 (= E244), C297 (= C278), E394 (= E378), E471 (= E454)
- binding nicotinamide-adenine-dinucleotide: I161 (= I142), I162 (≠ T143), P163 (= P144), W164 (= W145), K188 (= K169), E191 (= E172), G221 (= G202), G225 (= G206), A226 (≠ D207), F239 (= F220), G241 (= G222), S242 (= S223), T245 (= T226), Y248 (≠ L229), L264 (≠ M245), C297 (= C278), Q344 (= Q325), R347 (≠ K328), E394 (= E378), F396 (= F380)
4go4A Crystal structure of pnpe in complex with nicotinamide adenine dinucleotide
38% identity, 99% coverage: 5:469/471 of query aligns to 3:473/487 of 4go4A
- active site: N149 (= N146), K172 (= K169), E247 (= E244), C281 (= C278), E381 (= E378), E458 (= E454)
- binding nicotinamide-adenine-dinucleotide: I145 (= I142), V146 (≠ T143), W148 (= W145), N149 (= N146), F154 (≠ Q151), K172 (= K169), G205 (= G202), G209 (= G206), Q210 (≠ D207), F223 (= F220), T224 (= T221), G225 (= G222), S226 (= S223), T229 (= T226), E247 (= E244), G249 (= G246), C281 (= C278), E381 (= E378), F383 (= F380)
4o6rA Crystal structure of a putative aldehyde dehydrogenase from burkholderia cenocepacia
36% identity, 98% coverage: 8:469/471 of query aligns to 7:475/489 of 4o6rA
- active site: N150 (= N146), K173 (= K169), E248 (= E244), C282 (= C278), E383 (= E378), E460 (= E454)
- binding adenosine monophosphate: I146 (= I142), V147 (≠ T143), K173 (= K169), G206 (= G202), G210 (= G206), Q211 (≠ D207), F224 (= F220), G226 (= G222), S227 (= S223), T230 (= T226), R233 (≠ L229)
Q9H2A2 2-aminomuconic semialdehyde dehydrogenase; Aldehyde dehydrogenase 12; Aldehyde dehydrogenase family 8 member A1; EC 1.2.1.32 from Homo sapiens (Human) (see paper)
35% identity, 99% coverage: 7:471/471 of query aligns to 12:485/487 of Q9H2A2
- R109 (≠ A107) mutation to A: About 65-fold loss of catalytic efficiency.
- N155 (= N146) mutation to A: Complete loss of activity.
- R451 (≠ N438) mutation to A: Complete loss of activity.
P17202 Aminoaldehyde dehydrogenase BADH; 4-trimethylammoniobutyraldehyde dehydrogenase BADH; Aminobutyraldehyde dehydrogenase BADH; Betaine aldehyde dehydrogenase; SoBADH; EC 1.2.1.-; EC 1.2.1.47; EC 1.2.1.19; EC 1.2.1.8 from Spinacia oleracea (Spinach) (see 3 papers)
36% identity, 98% coverage: 8:469/471 of query aligns to 11:482/497 of P17202
- I28 (≠ H24) binding
- D96 (≠ E90) binding
- SPW 156:158 (≠ TPW 143:145) binding
- Y160 (= Y147) mutation to A: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-(trimethylamino)butanal.
- W167 (≠ L154) mutation to A: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-aminobutanal.
- KPSE 182:185 (= KPSE 169:172) binding
- L186 (≠ I173) binding
- SSAT 236:239 (≠ STRT 223:226) binding
- V251 (≠ F238) binding in other chain
- L258 (≠ M245) binding
- W285 (≠ L272) mutation to A: Decreases binding affinity for betaine aldehyde.
- E390 (= E378) binding
- A441 (≠ Q429) mutation to I: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-aminobutanal.
- C450 (vs. gap) mutation to S: Loss of partial inactivation by betaine aldehyde in the absence of NAD(+).
- W456 (≠ F443) binding ; mutation to A: Decreases binding affinity for betaine aldehyde.
- K460 (≠ G447) binding
4v37A Crystal structure of betaine aldehyde dehydrogenase from spinach showing a thiohemiacetal with 3-aminopropionaldehyde
36% identity, 98% coverage: 8:469/471 of query aligns to 9:480/495 of 4v37A
- active site: N157 (= N146), K180 (= K169), E255 (= E244), A289 (≠ C278), E388 (= E378), E465 (= E454)
- binding 3-aminopropan-1-ol: C448 (vs. gap), W454 (≠ F443)
- binding nicotinamide-adenine-dinucleotide: I153 (= I142), S154 (≠ T143), P155 (= P144), W156 (= W145), N157 (= N146), M162 (≠ Q151), K180 (= K169), S182 (= S171), E183 (= E172), G213 (= G202), G217 (= G206), A218 (≠ D207), T232 (= T221), G233 (= G222), S234 (= S223), T237 (= T226), E255 (= E244), L256 (≠ M245), A289 (≠ C278), E388 (= E378), F390 (= F380)
4npiA 1.94 angstroms x-ray crystal structure of NAD- and intermediate- bound alpha-aminomuconate-epsilon-semialdehyde dehydrogenase from pseudomonas fluorescens (see paper)
32% identity, 98% coverage: 7:469/471 of query aligns to 5:479/483 of 4npiA
- active site: N152 (= N146), K175 (= K169), E251 (= E244), C285 (= C278), E387 (= E378), E464 (= E454)
- binding (2Z,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid: R103 (≠ M105), L157 (≠ Q151), W160 (≠ L154), E251 (= E244), C285 (= C278), Y445 (≠ A436), R447 (≠ N438), F453 (= F443)
- binding nicotinamide-adenine-dinucleotide: I148 (= I142), S149 (≠ T143), P150 (= P144), W151 (= W145), K175 (= K169), E178 (= E172), G208 (= G202), G213 (= G206), E214 (≠ D207), F227 (= F220), G229 (= G222), E230 (≠ S223), T233 (= T226), G253 (= G246), C285 (= C278), K335 (= K328), E387 (= E378), F389 (= F380)
4i2rA 2.15 angstroms x-ray crystal structure of NAD- and alternative substrate-bound 2-aminomuconate 6-semialdehyde dehydrogenase from pseudomonas fluorescens (see paper)
32% identity, 98% coverage: 7:469/471 of query aligns to 5:479/483 of 4i2rA
- active site: N152 (= N146), K175 (= K169), E251 (= E244), C285 (= C278), E387 (= E378), E464 (= E454)
- binding (2E,4E)-2-hydroxy-6-oxohexa-2,4-dienoic acid: R103 (≠ M105), L157 (≠ Q151), C285 (= C278), Y445 (≠ A436), R447 (≠ N438), F453 (= F443)
- binding nicotinamide-adenine-dinucleotide: I148 (= I142), S149 (≠ T143), W151 (= W145), N152 (= N146), K175 (= K169), E178 (= E172), G208 (= G202), F227 (= F220), T228 (= T221), G229 (= G222), E230 (≠ S223), T233 (= T226), E251 (= E244), L252 (≠ M245), G253 (= G246), C285 (= C278), E387 (= E378), F389 (= F380)
4i25A 2.00 angstroms x-ray crystal structure of NAD- and substrate-bound 2- aminomuconate 6-semialdehyde dehydrogenase from pseudomonas fluorescens (see paper)
32% identity, 98% coverage: 7:469/471 of query aligns to 5:479/483 of 4i25A
- active site: N152 (= N146), K175 (= K169), E251 (= E244), C285 (= C278), E387 (= E378), E464 (= E454)
- binding (2E,4E)-2-amino-6-oxohexa-2,4-dienoic acid: R103 (≠ M105), L157 (≠ Q151), C285 (= C278), Y445 (≠ A436), R447 (≠ N438), F453 (= F443)
- binding nicotinamide-adenine-dinucleotide: I148 (= I142), S149 (≠ T143), P150 (= P144), W151 (= W145), N152 (= N146), K175 (= K169), E178 (= E172), G208 (= G202), G213 (= G206), F227 (= F220), T228 (= T221), G229 (= G222), E230 (≠ S223), T233 (= T226), E251 (= E244), L252 (≠ M245), C285 (= C278), E387 (= E378), F389 (= F380)
8vr1A Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (ctp bound)
36% identity, 99% coverage: 8:471/471 of query aligns to 8:479/488 of 8vr1A
8vr0A Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (gmp bound)
36% identity, 99% coverage: 8:471/471 of query aligns to 8:479/488 of 8vr0A
8vqzA Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (cmp bound)
36% identity, 99% coverage: 8:471/471 of query aligns to 8:479/488 of 8vqzA
8vqwC Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (coa bound)
36% identity, 99% coverage: 8:471/471 of query aligns to 8:479/488 of 8vqwC
- binding coenzyme a: I147 (= I142), W150 (= W145), K174 (= K169), S176 (= S171), E177 (= E172), G207 (= G202), G211 (= G206), F225 (= F220), G227 (= G222), G228 (≠ S223), S231 (≠ T226), H331 (≠ Q325), F387 (= F380)
8vj3A Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (fad bound)
36% identity, 99% coverage: 8:471/471 of query aligns to 8:479/488 of 8vj3A
8uzoA Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (adp bound)
36% identity, 99% coverage: 8:471/471 of query aligns to 8:479/488 of 8uzoA
8uznA Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (amp bound)
36% identity, 99% coverage: 8:471/471 of query aligns to 8:479/488 of 8uznA
- binding adenosine monophosphate: I147 (= I142), G148 (≠ T143), K174 (= K169), S176 (= S171), E177 (= E172), G207 (= G202), G211 (= G206), F225 (= F220), G228 (≠ S223), S231 (≠ T226), K234 (≠ N228)
Query Sequence
>GFF4005 HP15_3945 aldehyde dehydrogenase family protein
MNELNRNYINGQWVSWAGDMIDVHEAGTGDVIARVPAAGADEMEQAIAAADAAFESWSES
TLEERIKVLEQLHAGLKERAPEIAETVCREVGMPIKLATPIQAGMPAAVTKSYLKLLPDF
PFTEQSGNSEVQYAPVGVVGCITPWNYPLHQVILKIVPAIAAGCTVVLKPSEIAPQTAFI
LAEILDGTDLPKGVFNMVCGYGHTVGDTLIKHPDVRMVSFTGSTRTGNLIAHAAADDFKR
FALEMGGKSASVILPDADLAAAVKGTINNCLLNSGQTCTALTRMLVPADKHDEACELAAA
AVAKMTPGNPLEETTRLGPLSSAQQRDKVIDYIKLGVQEGAKLIAGGPEAPEGCEKGYFV
KATVFGNVKPDSRIAQEEIFGPVLCVIPYNDEAEAVKIANGTQYGLSGAVWSGDDAKAKK
IASKLRTGQVFVNGGAFNPMAPFGGFGHSGIGREFGKWGLEEFLEVRSLQL
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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