SitesBLAST
Comparing SM_b21301 SM_b21301 ly membrane-anchored aldehyde dehydrogenase to proteins with known functional sites using BLASTp with E ≤ 0.001.
Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures
Found 20 (the maximum) hits to proteins with known functional sites (download)
6mvtA Structure of a bacterial aldh16 complexed with nadh (see paper)
59% identity, 98% coverage: 15:793/794 of query aligns to 1:751/751 of 6mvtA
- active site: N151 (= N169), E247 (= E266), C281 (= C300), E450 (= E474)
- binding 1,4-dihydronicotinamide adenine dinucleotide: V147 (= V165), I148 (= I166), K174 (= K192), E177 (= E195), G207 (= G225), G210 (= G228), E211 (≠ A229), F223 (= F242), S226 (= S245), V229 (= V248), D327 (≠ V346), R331 (= R350)
6mvsA Structure of a bacterial aldh16 complexed with NAD (see paper)
59% identity, 98% coverage: 15:793/794 of query aligns to 1:751/751 of 6mvsA
- active site: N151 (= N169), E247 (= E266), C281 (= C300), E450 (= E474)
- binding nicotinamide-adenine-dinucleotide: V147 (= V165), I148 (= I166), W150 (= W168), K174 (= K192), E177 (= E195), G207 (= G225), G210 (= G228), E211 (≠ A229), F223 (= F242), S226 (= S245), V229 (= V248)
6mvuA Structure of a bacterial aldh16 active site mutant c295a complexed with p-nitrophenylacetate (see paper)
59% identity, 98% coverage: 15:793/794 of query aligns to 1:751/752 of 6mvuA
- active site: N151 (= N169), E247 (= E266), A281 (≠ C300), E450 (= E474)
- binding 4-nitrophenyl acetate: G207 (= G225), G210 (= G228), E211 (≠ A229), V214 (= V232), V229 (= V248), R232 (≠ L251), I233 (= I252), A236 (≠ K255)
O14293 Putative aldehyde dehydrogenase-like protein C9E9.09c; EC 1.2.1.- from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
45% identity, 57% coverage: 33:488/794 of query aligns to 23:492/503 of O14293
- S248 (= S245) modified: Phosphoserine
Sites not aligning to the query:
- 501 modified: Phosphoserine
5gtlA NADPH complex structure of aldehyde dehydrogenase from bacillus cereus
42% identity, 58% coverage: 32:493/794 of query aligns to 16:491/491 of 5gtlA
- active site: N165 (= N169), K188 (= K192), E263 (= E266), C297 (= C300), E394 (= E397), E471 (= E474)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (≠ V165), P163 (= P167), K188 (= K192), A190 (= A194), E191 (= E195), Q192 (≠ F196), G221 (= G225), G225 (= G228), G241 (= G244), S242 (= S245), T245 (≠ V248), L264 (= L267), C297 (= C300), E394 (= E397), F396 (= F399)
5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
42% identity, 58% coverage: 32:493/794 of query aligns to 16:491/491 of 5gtkA
- active site: N165 (= N169), K188 (= K192), E263 (= E266), C297 (= C300), E394 (= E397), E471 (= E474)
- binding nicotinamide-adenine-dinucleotide: I161 (≠ V165), I162 (= I166), P163 (= P167), W164 (= W168), K188 (= K192), E191 (= E195), G221 (= G225), G225 (= G228), A226 (= A229), F239 (= F242), G241 (= G244), S242 (= S245), T245 (≠ V248), Y248 (≠ L251), L264 (= L267), C297 (= C300), Q344 (= Q347), R347 (= R350), E394 (= E397), F396 (= F399)
7radA Crystal structure analysis of aldh1b1
43% identity, 57% coverage: 36:488/794 of query aligns to 16:483/493 of 7radA
- binding nicotinamide-adenine-dinucleotide: I158 (≠ V165), I159 (= I166), P160 (= P167), W161 (= W168), N162 (= N169), M167 (= M174), K185 (= K192), E188 (= E195), G218 (= G225), G222 (= G228), A223 (= A229), T237 (= T243), G238 (= G244), S239 (= S245), V242 (= V248), E261 (= E266), L262 (= L267), C295 (= C300), E392 (= E397), F394 (= F399)
- binding 3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine: L113 (≠ I130), E117 (≠ L134), F163 (= F170), E285 (≠ D290), F289 (= F294), N450 (= N455), V452 (≠ F457)
7mjdA Crystal structure analysis of aldh1b1
43% identity, 57% coverage: 36:488/794 of query aligns to 16:483/493 of 7mjdA
- binding nicotinamide-adenine-dinucleotide: I158 (≠ V165), I159 (= I166), P160 (= P167), W161 (= W168), N162 (= N169), M167 (= M174), K185 (= K192), E188 (= E195), G218 (= G225), G222 (= G228), F236 (= F242), T237 (= T243), G238 (= G244), S239 (= S245), V242 (= V248), E261 (= E266), L262 (= L267), C295 (= C300), E392 (= E397), F394 (= F399)
- binding 8-(2-methoxyphenyl)-10-(4-phenylphenyl)-1$l^{4},8-diazabicyclo[5.3.0]deca-1(7),9-diene: E117 (≠ L134), E285 (≠ D290), F289 (= F294), N450 (= N455), V452 (≠ F457)
7mjcA Crystal structure analysis of aldh1b1
43% identity, 57% coverage: 36:488/794 of query aligns to 16:483/493 of 7mjcA
- binding nicotinamide-adenine-dinucleotide: I158 (≠ V165), I159 (= I166), P160 (= P167), W161 (= W168), N162 (= N169), K185 (= K192), E188 (= E195), G218 (= G225), G222 (= G228), T237 (= T243), G238 (= G244), S239 (= S245), V242 (= V248), E261 (= E266), L262 (= L267), C295 (= C300), E392 (= E397), F394 (= F399)
5l13A Structure of aldh2 in complex with 2p3 (see paper)
44% identity, 57% coverage: 36:487/794 of query aligns to 17:483/494 of 5l13A
- active site: N163 (= N169), K186 (= K192), E262 (= E266), C296 (= C300), E393 (= E397), E470 (= E474)
- binding 2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one: F164 (= F170), M168 (= M174), W171 (= W177), F290 (= F294), C295 (≠ V299), C296 (= C300), C297 (= C301), D451 (≠ N455), F453 (= F457)
4kwgA Crystal structure analysis of aldh2+aldib13 (see paper)
44% identity, 57% coverage: 36:487/794 of query aligns to 17:483/494 of 4kwgA
- active site: N163 (= N169), K186 (= K192), E262 (= E266), C296 (= C300), E393 (= E397), E470 (= E474)
- binding 7-bromo-5-methyl-1H-indole-2,3-dione: F164 (= F170), M168 (= M174), C295 (≠ V299), C296 (= C300), C297 (= C301), D451 (≠ N455), F453 (= F457)
4kwfA Crystal structure analysis of aldh2+aldib33 (see paper)
44% identity, 57% coverage: 36:487/794 of query aligns to 17:483/494 of 4kwfA
- active site: N163 (= N169), K186 (= K192), E262 (= E266), C296 (= C300), E393 (= E397), E470 (= E474)
- binding 1-benzyl-1H-indole-2,3-dione: F164 (= F170), M168 (= M174), W171 (= W177), E262 (= E266), C295 (≠ V299), C296 (= C300), C297 (= C301), D451 (≠ N455), F453 (= F457), F459 (= F463)
3sz9A Crystal structure of human aldh2 modified with the beta-elimination product of aldi-3; 1-(4-ethylbenzene)prop-2-en-1-one (see paper)
44% identity, 57% coverage: 36:487/794 of query aligns to 17:483/494 of 3sz9A
- active site: N163 (= N169), K186 (= K192), E262 (= E266), C296 (= C300), E393 (= E397), E470 (= E474)
- binding 1-(4-ethylphenyl)propan-1-one: F164 (= F170), C295 (≠ V299), C296 (= C300), D451 (≠ N455), F453 (= F457), F459 (= F463)
3injA Human mitochondrial aldehyde dehydrogenase complexed with agonist alda-1 (see paper)
44% identity, 57% coverage: 36:487/794 of query aligns to 17:483/494 of 3injA
- active site: N163 (= N169), K186 (= K192), E262 (= E266), C296 (= C300), E393 (= E397), E470 (= E474)
- binding N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide: M118 (≠ L134), F164 (= F170), L167 (= L173), F286 (≠ D290), F290 (= F294), D451 (≠ N455), F453 (= F457)
2vleA The structure of daidzin, a naturally occurring anti alcohol- addiction agent, in complex with human mitochondrial aldehyde dehydrogenase (see paper)
44% identity, 57% coverage: 36:487/794 of query aligns to 17:483/494 of 2vleA
- active site: N163 (= N169), K186 (= K192), E262 (= E266), C296 (= C300), E393 (= E397), E470 (= E474)
- binding daidzin: M118 (≠ L134), F164 (= F170), M168 (= M174), W171 (= W177), F286 (≠ D290), F290 (= F294), C295 (≠ V299), C296 (= C300), D451 (≠ N455), V452 (≠ L456), F453 (= F457)
1o01B Human mitochondrial aldehyde dehydrogenase complexed with crotonaldehyde, NAD(h) and mg2+ (see paper)
44% identity, 57% coverage: 36:487/794 of query aligns to 17:483/494 of 1o01B
- active site: N163 (= N169), K186 (= K192), E262 (= E266), C296 (= C300), E393 (= E397), E470 (= E474)
- binding (2e)-but-2-enal: C296 (= C300), C297 (= C301), F453 (= F457)
- binding nicotinamide-adenine-dinucleotide: I159 (≠ V165), I160 (= I166), P161 (= P167), W162 (= W168), K186 (= K192), E189 (= E195), G219 (= G225), G223 (= G228), A224 (= A229), F237 (= F242), G239 (= G244), S240 (= S245), I243 (≠ V248), L263 (= L267), G264 (= G268), C296 (= C300), Q343 (= Q347), E393 (= E397), F395 (= F399)
1cw3A Human mitochondrial aldehyde dehydrogenase complexed with NAD+ and mn2+ (see paper)
44% identity, 57% coverage: 36:487/794 of query aligns to 17:483/494 of 1cw3A
- active site: N163 (= N169), K186 (= K192), E262 (= E266), C296 (= C300), E393 (= E397), E470 (= E474)
- binding magnesium ion: V34 (≠ F53), D103 (= D119), Q190 (≠ F196)
- binding nicotinamide-adenine-dinucleotide: I159 (≠ V165), I160 (= I166), P161 (= P167), W162 (= W168), K186 (= K192), G219 (= G225), G223 (= G228), A224 (= A229), F237 (= F242), G239 (= G244), S240 (= S245), I243 (≠ V248), L263 (= L267), G264 (= G268), C296 (= C300), Q343 (= Q347), K346 (≠ R350), E393 (= E397), F395 (= F399)
2onmA Human mitochondrial aldehyde dehydrogenase asian variant, aldh2 2, Complexed with NAD+ (see paper)
44% identity, 56% coverage: 36:483/794 of query aligns to 17:479/494 of 2onmA
- active site: N163 (= N169), K186 (= K192), E262 (= E266), C296 (= C300), E393 (= E397), E470 (= E474)
- binding adenosine-5'-diphosphate: E189 (= E195), G219 (= G225), G223 (= G228), A224 (= A229), F237 (= F242), G239 (= G244), S240 (= S245), I243 (≠ V248)
6b5hA Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) (see paper)
43% identity, 57% coverage: 36:488/794 of query aligns to 15:482/492 of 6b5hA
- active site: N161 (= N169), E260 (= E266), C294 (= C300), E468 (= E474)
- binding 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide: V112 (≠ I130), G116 (≠ L134), F162 (= F170), W169 (= W177), Q284 (≠ D290), F288 (= F294), T295 (≠ C301), N449 (= N455), L451 (≠ F457), N452 (≠ D458), F457 (= F463)
- binding nicotinamide-adenine-dinucleotide: I157 (≠ V165), I158 (= I166), W160 (= W168), N161 (= N169), K184 (= K192), G217 (= G225), G221 (= G228), F235 (= F242), T236 (= T243), G237 (= G244), S238 (= S245), V241 (= V248), E260 (= E266), L261 (= L267), C294 (= C300), F393 (= F399)
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)
43% identity, 57% coverage: 36:488/794 of query aligns to 15:482/492 of 6b5gA
- active site: N161 (= N169), E260 (= E266), C294 (= C300), E468 (= E474)
- binding (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone: F162 (= F170), L165 (= L173), W169 (= W177), F288 (= F294), C293 (≠ V299), C294 (= C300), T295 (≠ C301), N449 (= N455), L451 (≠ F457)
- binding nicotinamide-adenine-dinucleotide: I157 (≠ V165), I158 (= I166), P159 (= P167), W160 (= W168), N161 (= N169), M166 (= M174), K184 (= K192), E187 (= E195), G217 (= G225), G221 (= G228), F235 (= F242), T236 (= T243), G237 (= G244), S238 (= S245), V241 (= V248), E260 (= E266), L261 (= L267), C294 (= C300), E391 (= E397), F393 (= F399)
Query Sequence
>SM_b21301 SM_b21301 ly membrane-anchored aldehyde dehydrogenase
MSVATFFDEMSYGPAPEADTEARAWLTRHEGKLGHFINGAFVGSASGKSFDTFEPATGKL
LAKIAHGGRDDVNAAVAAARKAQGPWAKLSGHARARHLYALARLIQRHARLIAVVEALDN
GKPIRETRDIDIPLAARHFYHHAGWAQLQETEFADQVPVGVVGQVIPWNFPFLMLAWKVA
PALALGNSVILKPAEFTPLTALLFAELAAAAGLPPGVLNVVTGEGETGALIVEHEDIDKI
AFTGSTEVGRLIREKTAGSGKSLTLELGGKSPFIVFDDADIDAAVEGVVDAIWFNQGQVC
CAGSRLLVQEGVAPVFHDRLKRRMETLRVGHPLDKAIDMAAIVAPVQLQRIEELVAKGVA
EGASMHQPKIELPKGGSFFRPTLLTGVQPTSVVATEEIFGPVAVSMTFRTPEEAIQLANH
SRYGLAASVWSETIGLALHVAAKLAAGVVWVNATNLFDASSGFGGKRESGFGREGGREGC
YEYLKPKAWMGRKLRPEHGLPAPKQAAGDFAVPALDRTAKLFVGGKQARPDGNYSRPVLS
PKGKVIGEVGEGNRKDIRNAVVAARGASGWSSATAHNRAQILYYIAENLSSRGAEFAGRI
AAMTGASAANARAEVEASIARLFSYGAWADKYEGTVHQPPLRGVALAMPEPQGVVGVICP
PEAPLLGLVSLVAPLIAVGNRVVAVPSEAHPLAATDFYSVLETSDVPPGVINIVTGSAIE
LAKALAAHNDVDALWAFGSPELSTLVEKLSVGNLKRTFVDYGKAIDWTDRSAAEGQAFLR
RAVDVKNIWIPYGE
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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