SitesBLAST
Comparing HSERO_RS17620 FitnessBrowser__HerbieS:HSERO_RS17620 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)
4o6rA Crystal structure of a putative aldehyde dehydrogenase from burkholderia cenocepacia
38% identity, 95% coverage: 20:472/476 of query aligns to 22:475/489 of 4o6rA
- active site: N150 (= N153), K173 (= K176), E248 (= E249), C282 (= C283), E383 (= E380), E460 (= E457)
- binding adenosine monophosphate: I146 (= I149), V147 (≠ A150), K173 (= K176), G206 (= G208), G210 (= G211), Q211 (≠ A212), F224 (= F225), G226 (= G227), S227 (= S228), T230 (= T231), R233 (= R234)
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)
37% identity, 93% coverage: 23:464/476 of query aligns to 29:474/497 of P17202
- D96 (≠ E88) binding
- SPW 156:158 (≠ APW 150:152) binding
- Y160 (≠ W154) mutation to A: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-(trimethylamino)butanal.
- W167 (= W161) mutation to A: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-aminobutanal.
- KPSE 182:185 (= KPSE 176:179) binding
- L186 (≠ Y180) binding
- SSAT 236:239 (≠ SGAT 228:231) binding
- V251 (≠ L243) binding in other chain
- L258 (= L250) binding
- W285 (≠ L277) mutation to A: Decreases binding affinity for betaine aldehyde.
- E390 (= E380) binding
- A441 (≠ T431) mutation to I: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-aminobutanal.
- C450 (≠ V440) mutation to S: Loss of partial inactivation by betaine aldehyde in the absence of NAD(+).
- W456 (≠ F446) binding ; mutation to A: Decreases binding affinity for betaine aldehyde.
- K460 (= K450) binding
Sites not aligning to the query:
4v37A Crystal structure of betaine aldehyde dehydrogenase from spinach showing a thiohemiacetal with 3-aminopropionaldehyde
37% identity, 93% coverage: 23:464/476 of query aligns to 27:472/495 of 4v37A
- active site: N157 (= N153), K180 (= K176), E255 (= E249), A289 (≠ C283), E388 (= E380), E465 (= E457)
- binding 3-aminopropan-1-ol: C448 (≠ V440), W454 (≠ F446)
- binding nicotinamide-adenine-dinucleotide: I153 (= I149), S154 (≠ A150), P155 (= P151), W156 (= W152), N157 (= N153), M162 (≠ I158), K180 (= K176), S182 (= S178), E183 (= E179), G213 (= G208), G217 (= G211), A218 (= A212), T232 (= T226), G233 (= G227), S234 (= S228), T237 (= T231), E255 (= E249), L256 (= L250), A289 (≠ C283), E388 (= E380), F390 (= F382)
4go4A Crystal structure of pnpe in complex with nicotinamide adenine dinucleotide
36% identity, 95% coverage: 20:472/476 of query aligns to 21:473/487 of 4go4A
- active site: N149 (= N153), K172 (= K176), E247 (= E249), C281 (= C283), E381 (= E380), E458 (= E457)
- binding nicotinamide-adenine-dinucleotide: I145 (= I149), V146 (≠ A150), W148 (= W152), N149 (= N153), F154 (≠ I158), K172 (= K176), G205 (= G208), G209 (= G211), Q210 (≠ A212), F223 (= F225), T224 (= T226), G225 (= G227), S226 (= S228), T229 (= T231), E247 (= E249), G249 (= G251), C281 (= C283), E381 (= E380), F383 (= F382)
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)
35% identity, 95% coverage: 23:475/476 of query aligns to 42:495/501 of P00352
- N121 (≠ D99) to S: in dbSNP:rs1049981
- IPWN 167:170 (≠ APWN 150:153) binding
- I177 (= I160) to F: in dbSNP:rs8187929
- KPAE 193:196 (≠ KPSE 176:179) binding
- GP 226:227 (≠ G- 208) binding
- GS 246:247 (= GS 227:228) binding
- E269 (= E249) active site, Proton acceptor
- ELG 269:271 (= ELG 249:251) binding
- C302 (≠ T282) mutation C->A,S: Does not prevent inhibition by duocarmycin analogs.
- C303 (= C283) active site, Nucleophile
- EQYDK 349:353 (≠ MQLKK 329:333) binding
- EIF 400:402 (≠ EQF 380:382) binding
- G458 (= G438) 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
7um9A Human aldh1a1 with bound compound cm38 (see paper)
35% identity, 95% coverage: 23:475/476 of query aligns to 35:488/494 of 7um9A
- binding nicotinamide-adenine-dinucleotide: I159 (= I149), I160 (≠ A150), P161 (= P151), W162 (= W152), N163 (= N153), K186 (= K176), E189 (= E179), G219 (= G208), G223 (= G211), F237 (= F225), T238 (= T226), G239 (= G227), S240 (= S228), V243 (≠ T231), E262 (= E249), G264 (= G251), Q343 (= Q330), K346 (= K333), E393 (= E380), F395 (= F382)
- binding (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone: W171 (= W161), H286 (≠ W273), Y290 (≠ L277), I297 (≠ A284), G451 (= G438)
5l2oA Crystal structure of aldh1a1 in complex with buc22 (see paper)
35% identity, 95% coverage: 23:475/476 of query aligns to 35:488/494 of 5l2oA
5l2nA Structure of aldh1a1 in complex with buc25 (see paper)
35% identity, 95% coverage: 23:475/476 of query aligns to 35:488/494 of 5l2nA
- active site: N163 (= N153), K186 (= K176), E262 (= E249), C296 (= C283), E393 (= E380), E470 (= E457)
- binding 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate: F164 (≠ W154), M168 (≠ I158), W171 (= W161), H286 (≠ W273), G287 (= G274), Y290 (≠ L277), C295 (≠ T282), C296 (= C283), I297 (≠ A284), Y450 (≠ H437), G451 (= G438), V453 (= V440), F459 (= F446)
5l2mA Structure of aldh1a1 in complex with buc11 (see paper)
35% identity, 95% coverage: 23:475/476 of query aligns to 35:488/494 of 5l2mA
- active site: N163 (= N153), K186 (= K176), E262 (= E249), C296 (= C283), E393 (= E380), E470 (= E457)
- binding 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one: F164 (≠ W154), F283 (≠ G270), H286 (≠ W273), Y290 (≠ L277)
4wpnA Structure of human aldh1a1 with inhibitor cm053 (see paper)
35% identity, 95% coverage: 23:475/476 of query aligns to 35:488/494 of 4wpnA
- active site: N163 (= N153), K186 (= K176), E262 (= E249), C296 (= C283), E393 (= E380), E470 (= E457)
- 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 (≠ W154), H286 (≠ W273), G287 (= G274), Y290 (≠ L277), C295 (≠ T282), I297 (≠ A284), G451 (= G438), V453 (= V440)
4wb9A Human aldh1a1 complexed with nadh (see paper)
35% identity, 95% coverage: 23:475/476 of query aligns to 34:487/493 of 4wb9A
- active site: N162 (= N153), K185 (= K176), E261 (= E249), C295 (= C283), E392 (= E380), E469 (= E457)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I149), I159 (≠ A150), P160 (= P151), W161 (= W152), N162 (= N153), K185 (= K176), E188 (= E179), G218 (= G208), G222 (= G211), F236 (= F225), T237 (= T226), G238 (= G227), S239 (= S228), V242 (≠ T231), G263 (= G251), C295 (= C283), Q342 (= Q330), K345 (= K333), E392 (= E380), F394 (= F382)
5teiA Structure of human aldh1a1 with inhibitor cm039
35% identity, 95% coverage: 23:475/476 of query aligns to 34:487/493 of 5teiA
- active site: N162 (= N153), K185 (= K176), E261 (= E249), C295 (= C283), E392 (= E380), E469 (= E457)
- binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: S113 (≠ D99), F163 (≠ W154), H285 (≠ W273), G286 (= G274), Y289 (≠ L277), C295 (= C283), G450 (= G438), V452 (= V440), F458 (= F446)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I149), I159 (≠ A150), P160 (= P151), W161 (= W152), N162 (= N153), K185 (= K176), E188 (= E179), G218 (= G208), G222 (= G211), A223 (= A212), F236 (= F225), T237 (= T226), G238 (= G227), S239 (= S228), V242 (≠ T231), C295 (= C283), Q342 (= Q330), K345 (= K333), E392 (= E380), F394 (= F382)
4x4lA Structure of human aldh1a1 with inhibitor cm037 (see paper)
35% identity, 95% coverage: 23:475/476 of query aligns to 34:487/493 of 4x4lA
- active site: N162 (= N153), K185 (= K176), E261 (= E249), C295 (= C283), E392 (= E380), E469 (= E457)
- binding ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate: S113 (≠ D99), M167 (≠ I158), W170 (= W161), Y289 (≠ L277), G450 (= G438), F458 (= F446)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I149), I159 (≠ A150), P160 (= P151), W161 (= W152), K185 (= K176), E188 (= E179), G218 (= G208), G222 (= G211), F236 (= F225), T237 (= T226), G238 (= G227), S239 (= S228), V242 (≠ T231), C295 (= C283), Q342 (= Q330), K345 (= K333), E392 (= E380), F394 (= F382)
7jwwA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
35% identity, 95% coverage: 23:475/476 of query aligns to 35:488/494 of 7jwwA
- active site: N163 (= N153), K186 (= K176), E262 (= E249), C296 (= C283), E393 (= E380), E470 (= E457)
- 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 (= G103), T122 (≠ E107), F164 (≠ W154), M168 (≠ I158), Y290 (≠ L277), C295 (≠ T282), C296 (= C283), I297 (≠ A284), V453 (= V440), F459 (= F446)
7jwvA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
35% identity, 95% coverage: 23:475/476 of query aligns to 35:488/494 of 7jwvA
- active site: N163 (= N153), K186 (= K176), E262 (= E249), C296 (= C283), E393 (= E380), E470 (= E457)
- binding 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (= G103), T122 (≠ E107), F164 (≠ W154), M168 (≠ I158), Y290 (≠ L277), C295 (≠ T282), I297 (≠ A284), V453 (= V440), F459 (= F446)
7jwuA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
35% identity, 95% coverage: 23:475/476 of query aligns to 35:488/494 of 7jwuA
- active site: N163 (= N153), K186 (= K176), E262 (= E249), C296 (= C283), E393 (= E380), E470 (= E457)
- binding nicotinamide-adenine-dinucleotide: I159 (= I149), I160 (≠ A150), P161 (= P151), W162 (= W152), N163 (= N153), K186 (= K176), E189 (= E179), G219 (= G208), G223 (= G211), A224 (= A212), F237 (= F225), T238 (= T226), G239 (= G227), S240 (= S228), V243 (≠ T231), L263 (= L250), C296 (= C283), Q343 (= Q330), K346 (= K333), E393 (= E380), F395 (= F382)
- 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 (≠ E107), F164 (≠ W154), W171 (= W161), Y290 (≠ L277), C295 (≠ T282), I297 (≠ A284), V453 (= V440), F459 (= F446)
7jwtA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
35% identity, 95% coverage: 23:475/476 of query aligns to 35:488/494 of 7jwtA
- active site: N163 (= N153), K186 (= K176), E262 (= E249), C296 (= C283), E393 (= E380), E470 (= E457)
- binding 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (= G103), T122 (≠ E107), F164 (≠ W154), M168 (≠ I158), W171 (= W161), Y290 (≠ L277), C295 (≠ T282), V453 (= V440), F459 (= F446)
7jwsA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
35% identity, 95% coverage: 23:475/476 of query aligns to 35:488/494 of 7jwsA
- active site: N163 (= N153), K186 (= K176), E262 (= E249), C296 (= C283), E393 (= E380), E470 (= E457)
- binding 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (= G103), T122 (≠ E107), F164 (≠ W154), M168 (≠ I158), W171 (= W161), Y290 (≠ L277), C295 (≠ T282), I297 (≠ A284), V453 (= V440), F459 (= F446)
6dumA Aldh1a1 n121s in complex with 6-{[(3-fluorophenyl)methyl]sulfanyl}-2- (oxetan-3-yl)-5-phenyl-2,5-dihydro-4h-pyrazolo[3,4-d]pyrimidin-4-one (compound 13g) (see paper)
35% identity, 95% coverage: 23:475/476 of query aligns to 35:488/494 of 6dumA
- active site: N163 (= N153), K186 (= K176), E262 (= E249), C296 (= C283), E393 (= E380), E470 (= E457)
- binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (= G103), T122 (≠ E107), F164 (≠ W154), M168 (≠ I158), W171 (= W161), H286 (≠ W273), Y290 (≠ L277), C295 (≠ T282), C296 (= C283), I297 (≠ A284), G451 (= G438), V453 (= V440), F459 (= F446)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I159 (= I149), I160 (≠ A150), P161 (= P151), W162 (= W152), N163 (= N153), K186 (= K176), E189 (= E179), G219 (= G208), P220 (vs. gap), G223 (= G211), A224 (= A212), F237 (= F225), T238 (= T226), G239 (= G227), S240 (= S228), V243 (≠ T231), L263 (= L250), C296 (= C283), Q343 (= Q330), K346 (= K333), E393 (= E380), F395 (= F382)
4wp7A Structure of human aldh1a1 with inhibitor cm026 (see paper)
35% identity, 95% coverage: 23:475/476 of query aligns to 35:488/494 of 4wp7A
- active site: N163 (= N153), K186 (= K176), E262 (= E249), C296 (= C283), E393 (= E380), E470 (= E457)
- binding 8-{[4-(furan-2-ylcarbonyl)piperazin-1-yl]methyl}-1,3-dimethyl-7-(3-methylbutyl)-3,7-dihydro-1H-purine-2,6-dione: G118 (= G103), T122 (≠ E107), F164 (≠ W154), G287 (= G274), Y290 (≠ L277), C295 (≠ T282), I297 (≠ A284), G451 (= G438), V453 (= V440), A455 (≠ P442)
Query Sequence
>HSERO_RS17620 FitnessBrowser__HerbieS:HSERO_RS17620
MHIASNIIGGQLRAGSRQRDSHNPATGAVMGRFPQSDAIEVAAAVAAARQAQPAWAALSL
VQRREYLNRVADAIAANAERLATLVTQEQGRPLGGVGPDQVPGSRFELWGCEAWTRATAS
LELAPEVVFEDETRRDELHRKPYGVIAAIAPWNWPLMISIWQVIPALYAGNTVVLKPSEY
TSVCGLELARVVADALPPGVLNTVSGDGSVGAMLVEDGDVNKIMFTGSGATGARIVAAAA
RNLTPTTMELGGNDAAIVLDDADPKAIAPGLFWGAFLNMGQTCACAKRLYVPDALHDQIV
DELKAIIAALPMGDGLQPGIAMGPVQNPMQLKKVVALVESAREEGGTIVCGGVLPDGPGN
FYPLTLVTGLRDGARLVDEEQFGPVLPIIRYSDLEQAIANANRLDVGLGASVWSSDSQRA
AQVATRLQAGTVWVNQHGMVHPMVPFGGNKRSGWGVEFGQEGLKGVTQPQVISLKK
Or try a new SitesBLAST search
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