SitesBLAST
Comparing WP_034273599.1 NCBI__GCF_000504245.1:WP_034273599.1 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)
55% identity, 98% coverage: 5:489/496 of query aligns to 21:504/505 of 4neaA
- active site: N166 (= N151), K189 (= K174), E264 (= E249), C298 (= C283), E399 (= E384), E476 (= E461)
- binding nicotinamide-adenine-dinucleotide: P164 (= P149), K189 (= K174), E192 (= E177), G222 (= G207), G226 (= G211), G242 (= G227), G243 (= G228), T246 (= T231), H249 (≠ K234), I250 (= I235), C298 (= C283), E399 (= E384), F401 (= F386)
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)
44% identity, 99% coverage: 2:491/496 of query aligns to 8:497/497 of P17202
- I28 (≠ L23) binding K(+)
- D96 (= D91) binding K(+)
- SPW 156:158 (≠ APW 148:150) binding NAD(+)
- Y160 (= Y152) mutation to A: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-(trimethylamino)butanal.
- W167 (= W159) mutation to A: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-aminobutanal.
- KPSE 182:185 (= KPSE 174:177) binding NAD(+)
- L186 (≠ V178) binding K(+)
- SSAT 236:239 (≠ GLET 228:231) binding NAD(+)
- V251 (= V243) binding in other chain
- L258 (= L250) binding NAD(+)
- W285 (≠ A277) mutation to A: Decreases binding affinity for betaine aldehyde.
- E390 (= E384) binding NAD(+)
- A441 (≠ T435) mutation to I: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-aminobutanal.
- C450 (≠ Y444) mutation to S: Loss of partial inactivation by betaine aldehyde in the absence of NAD(+).
- W456 (= W450) binding NAD(+); mutation to A: Decreases binding affinity for betaine aldehyde.
- K460 (≠ G454) binding K(+)
4v37A Crystal structure of betaine aldehyde dehydrogenase from spinach showing a thiohemiacetal with 3-aminopropionaldehyde
44% identity, 99% coverage: 2:491/496 of query aligns to 6:495/495 of 4v37A
- active site: N157 (= N151), K180 (= K174), E255 (= E249), A289 (≠ C283), E388 (= E384), E465 (= E461)
- binding 3-aminopropan-1-ol: C448 (≠ Y444), W454 (= W450)
- binding nicotinamide-adenine-dinucleotide: I153 (= I147), S154 (≠ A148), P155 (= P149), W156 (= W150), N157 (= N151), M162 (≠ Q156), K180 (= K174), S182 (= S176), E183 (= E177), G213 (= G207), G217 (= G211), A218 (= A212), T232 (= T226), G233 (= G227), S234 (≠ G228), T237 (= T231), E255 (= E249), L256 (= L250), A289 (≠ C283), E388 (= E384), F390 (= F386)
4o6rA Crystal structure of a putative aldehyde dehydrogenase from burkholderia cenocepacia
45% identity, 96% coverage: 3:480/496 of query aligns to 5:479/489 of 4o6rA
- active site: N150 (= N151), K173 (= K174), E248 (= E249), C282 (= C283), E383 (= E384), E460 (= E461)
- binding adenosine monophosphate: I146 (= I147), V147 (≠ A148), K173 (= K174), G206 (= G207), G210 (= G211), Q211 (≠ A212), F224 (= F225), G226 (= G227), S227 (≠ G228), T230 (= T231), R233 (≠ K234)
5gtlA NADPH complex structure of aldehyde dehydrogenase from bacillus cereus
44% identity, 97% coverage: 3:481/496 of query aligns to 18:491/491 of 5gtlA
- active site: N165 (= N151), K188 (= K174), E263 (= E249), C297 (= C283), E394 (= E384), E471 (= E461)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (= I147), P163 (= P149), K188 (= K174), A190 (≠ S176), E191 (= E177), Q192 (≠ V178), G221 (= G207), G225 (= G211), G241 (= G227), S242 (≠ G228), T245 (= T231), L264 (= L250), C297 (= C283), E394 (= E384), F396 (= F386)
5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
44% identity, 97% coverage: 3:481/496 of query aligns to 18:491/491 of 5gtkA
- active site: N165 (= N151), K188 (= K174), E263 (= E249), C297 (= C283), E394 (= E384), E471 (= E461)
- binding nicotinamide-adenine-dinucleotide: I161 (= I147), I162 (≠ A148), P163 (= P149), W164 (= W150), K188 (= K174), E191 (= E177), G221 (= G207), G225 (= G211), A226 (= A212), F239 (= F225), G241 (= G227), S242 (≠ G228), T245 (= T231), Y248 (≠ K234), L264 (= L250), C297 (= C283), Q344 (≠ H330), R347 (≠ K333), E394 (= E384), F396 (= F386)
8rwkA Cryoem structure of the central ald4 filament determined by filamentid (see paper)
42% identity, 95% coverage: 4:476/496 of query aligns to 23:489/495 of 8rwkA
5teiA Structure of human aldh1a1 with inhibitor cm039
45% identity, 96% coverage: 3:480/496 of query aligns to 14:488/493 of 5teiA
- active site: N162 (= N151), K185 (= K174), E261 (= E249), C295 (= C283), E392 (= E384), E469 (= E461)
- binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: S113 (vs. gap), F163 (≠ Y152), H285 (≠ M273), G286 (≠ A274), Y289 (≠ A277), C295 (= C283), G450 (≠ H442), V452 (≠ Y444), F458 (≠ W450)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I147), I159 (≠ A148), P160 (= P149), W161 (= W150), N162 (= N151), K185 (= K174), E188 (= E177), G218 (= G207), G222 (= G211), A223 (= A212), F236 (= F225), T237 (= T226), G238 (= G227), S239 (≠ G228), V242 (≠ T231), C295 (= C283), Q342 (≠ H330), K345 (= K333), E392 (= E384), F394 (= F386)
8t0nA Structure of compound 4 bound to human aldh1a1 (see paper)
45% identity, 96% coverage: 3:480/496 of query aligns to 15:489/494 of 8t0nA
- binding nicotinamide-adenine-dinucleotide: I159 (= I147), I160 (≠ A148), P161 (= P149), W162 (= W150), N163 (= N151), K186 (= K174), E189 (= E177), G219 (= G207), G223 (= G211), A224 (= A212), F237 (= F225), T238 (= T226), G239 (= G227), S240 (≠ G228), V243 (≠ T231), E262 (= E249), G264 (= G251), C296 (= C283), Q343 (≠ H330), K346 (= K333), E393 (= E384), F395 (= F386)
- binding 2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol: S114 (vs. gap), G118 (≠ D105), T122 (≠ V109), V167 (≠ L155), W171 (= W159), V453 (≠ Y444), S454 (≠ L445), A455 (≠ P446)
7jwwA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)