SitesBLAST
Comparing Pf6N2E2_1764 FitnessBrowser__pseudo6_N2E2:Pf6N2E2_1764 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
41% identity, 97% coverage: 13:501/502 of query aligns to 5:490/491 of 5gtlA
- active site: N165 (= N177), K188 (= K200), E263 (= E275), C297 (= C309), E394 (= E405), E471 (≠ D482)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (= I173), P163 (= P175), K188 (= K200), A190 (= A202), E191 (= E203), Q192 (≠ D204), G221 (= G233), G225 (= G237), G241 (= G253), S242 (= S254), T245 (≠ I257), L264 (= L276), C297 (= C309), E394 (= E405), F396 (= F407)
5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
41% identity, 97% coverage: 13:501/502 of query aligns to 5:490/491 of 5gtkA
- active site: N165 (= N177), K188 (= K200), E263 (= E275), C297 (= C309), E394 (= E405), E471 (≠ D482)
- binding nicotinamide-adenine-dinucleotide: I161 (= I173), I162 (≠ L174), P163 (= P175), W164 (= W176), K188 (= K200), E191 (= E203), G221 (= G233), G225 (= G237), A226 (≠ Q238), F239 (= F251), G241 (= G253), S242 (= S254), T245 (≠ I257), Y248 (≠ R260), L264 (= L276), C297 (= C309), Q344 (= Q356), R347 (= R359), E394 (= E405), F396 (= F407)
7radA Crystal structure analysis of aldh1b1
41% identity, 94% coverage: 28:501/502 of query aligns to 16:488/493 of 7radA
- binding nicotinamide-adenine-dinucleotide: I158 (= I173), I159 (≠ L174), P160 (= P175), W161 (= W176), N162 (= N177), M167 (≠ V182), K185 (= K200), E188 (= E203), G218 (= G233), G222 (= G237), A223 (≠ Q238), T237 (= T252), G238 (= G253), S239 (= S254), V242 (≠ I257), E261 (= E275), L262 (= L276), C295 (= C309), E392 (= E405), F394 (= F407)
- binding 3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine: L113 (≠ F123), E117 (≠ K127), F163 (≠ A178), E285 (≠ M299), F289 (≠ A303), N450 (≠ A463), V452 (≠ P465)
7mjdA Crystal structure analysis of aldh1b1
41% identity, 94% coverage: 28:501/502 of query aligns to 16:488/493 of 7mjdA
- binding nicotinamide-adenine-dinucleotide: I158 (= I173), I159 (≠ L174), P160 (= P175), W161 (= W176), N162 (= N177), M167 (≠ V182), K185 (= K200), E188 (= E203), G218 (= G233), G222 (= G237), F236 (= F251), T237 (= T252), G238 (= G253), S239 (= S254), V242 (≠ I257), E261 (= E275), L262 (= L276), C295 (= C309), E392 (= E405), F394 (= F407)
- binding 8-(2-methoxyphenyl)-10-(4-phenylphenyl)-1$l^{4},8-diazabicyclo[5.3.0]deca-1(7),9-diene: E117 (≠ K127), E285 (≠ M299), F289 (≠ A303), N450 (≠ A463), V452 (≠ P465)
7mjcA Crystal structure analysis of aldh1b1
41% identity, 94% coverage: 28:501/502 of query aligns to 16:488/493 of 7mjcA
- binding nicotinamide-adenine-dinucleotide: I158 (= I173), I159 (≠ L174), P160 (= P175), W161 (= W176), N162 (= N177), K185 (= K200), E188 (= E203), G218 (= G233), G222 (= G237), T237 (= T252), G238 (= G253), S239 (= S254), V242 (≠ I257), E261 (= E275), L262 (= L276), C295 (= C309), E392 (= E405), F394 (= F407)
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)
41% identity, 94% coverage: 28:501/502 of query aligns to 41:513/518 of O94788
- E50 (≠ R35) to G: in dbSNP:rs34266719
- A110 (= A95) to V: in dbSNP:rs35365164
- Q182 (≠ A172) to K: in DIH4; decreased retinoic acid biosynthetic process
- IPW 184:186 (≠ LPW 174:176) binding
- KPAE 210:213 (= KPAE 200:203) binding
- STE 264:266 (≠ STD 254:256) binding
- C320 (= C309) active site, Nucleophile
- R347 (≠ L336) to H: in DIH4; decreased expression; dbSNP:rs141245344
- V348 (= V337) to I: in dbSNP:rs4646626
- KQYNK 366:370 (≠ KQFDR 355:359) binding
- A383 (vs. gap) to T: in DIH4; uncertain significance; dbSNP:rs749124508
- E417 (= E405) binding
- E436 (≠ D424) to K: in dbSNP:rs34744827
- S461 (≠ A449) to Y: in DIH4; decreased retinoic acid biosynthetic process
6b5hA Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) (see paper)
41% identity, 94% coverage: 28:501/502 of query aligns to 15:487/492 of 6b5hA
- active site: N161 (= N177), E260 (= E275), C294 (= C309), E468 (≠ D482)
- binding 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide: V112 (≠ F123), G116 (≠ K127), F162 (≠ A178), W169 (= W185), Q284 (≠ M299), F288 (≠ A303), T295 (≠ V310), N449 (≠ A463), L451 (≠ P465), N452 (≠ P466), F457 (≠ T471)
- binding nicotinamide-adenine-dinucleotide: I157 (= I173), I158 (≠ L174), W160 (= W176), N161 (= N177), K184 (= K200), G217 (= G233), G221 (= G237), F235 (= F251), T236 (= T252), G237 (= G253), S238 (= S254), V241 (≠ I257), E260 (= E275), L261 (= L276), C294 (= C309), F393 (= F407)
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)
41% identity, 94% coverage: 28:501/502 of query aligns to 15:487/492 of 6b5gA
- active site: N161 (= N177), E260 (= E275), C294 (= C309), E468 (≠ D482)
- binding (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone: F162 (≠ A178), L165 (= L181), W169 (= W185), F288 (≠ A303), C293 (≠ I308), C294 (= C309), T295 (≠ V310), N449 (≠ A463), L451 (≠ P465)
- binding nicotinamide-adenine-dinucleotide: I157 (= I173), I158 (≠ L174), P159 (= P175), W160 (= W176), N161 (= N177), M166 (≠ V182), K184 (= K200), E187 (= E203), G217 (= G233), G221 (= G237), F235 (= F251), T236 (= T252), G237 (= G253), S238 (= S254), V241 (≠ I257), E260 (= E275), L261 (= L276), C294 (= C309), E391 (= E405), F393 (= F407)
6aljA Aldh1a2 liganded with NAD and compound win18,446 (see paper)
41% identity, 94% coverage: 28:501/502 of query aligns to 15:487/492 of 6aljA
- active site: N161 (= N177), E260 (= E275), C294 (= C309), E468 (≠ D482)
- binding N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide): G116 (≠ K127), F162 (≠ A178), L165 (= L181), M166 (≠ V182), W169 (= W185), E260 (= E275), C293 (≠ I308), C294 (= C309), L451 (≠ P465), N452 (≠ P466), A453 (= A467)
- binding nicotinamide-adenine-dinucleotide: I157 (= I173), I158 (≠ L174), P159 (= P175), W160 (= W176), N161 (= N177), K184 (= K200), E187 (= E203), G217 (= G233), G221 (= G237), F235 (= F251), G237 (= G253), S238 (= S254), V241 (≠ I257), Q341 (= Q356), K344 (≠ R359), E391 (= E405), F393 (= F407)
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)
40% identity, 94% coverage: 28:501/502 of query aligns to 41:513/518 of Q63639
P15437 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 Equus caballus (Horse) (see paper)
41% identity, 95% coverage: 28:502/502 of query aligns to 24:497/501 of P15437
Sites not aligning to the query:
- 2 modified: N-acetylserine
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)
40% identity, 95% coverage: 28:502/502 of query aligns to 24:497/501 of P00352
- N121 (≠ F123) to S: in dbSNP:rs1049981
- IPWN 167:170 (≠ LPWN 174:177) binding
- I177 (≠ S184) to F: in dbSNP:rs8187929
- KPAE 193:196 (= KPAE 200:203) binding
- GP 226:227 (≠ GA 233:234) binding
- GS 246:247 (= GS 253:254) binding
- E269 (= E275) active site, Proton acceptor
- ELG 269:271 (= ELG 275:277) binding
- C302 (≠ I308) mutation C->A,S: Does not prevent inhibition by duocarmycin analogs.
- C303 (= C309) active site, Nucleophile
- EQYDK 349:353 (≠ KQFDR 355:359) binding
- EIF 400:402 (= EIF 405:407) binding
- G458 (≠ A463) 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)
40% identity, 95% coverage: 28:502/502 of query aligns to 17:490/494 of 7jwwA
- active site: N163 (= N177), K186 (= K200), E262 (= E275), C296 (= C309), E393 (= E405), E470 (≠ D482)
- 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 (≠ K127), T122 (≠ V131), F164 (≠ A178), M168 (≠ V182), Y290 (≠ A303), C295 (≠ I308), C296 (= C309), I297 (≠ V310), V453 (≠ P465), F459 (≠ T471)
7jwvA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
40% identity, 95% coverage: 28:502/502 of query aligns to 17:490/494 of 7jwvA
- active site: N163 (= N177), K186 (= K200), E262 (= E275), C296 (= C309), E393 (= E405), E470 (≠ D482)
- binding 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ K127), T122 (≠ V131), F164 (≠ A178), M168 (≠ V182), Y290 (≠ A303), C295 (≠ I308), I297 (≠ V310), V453 (≠ P465), F459 (≠ T471)
7jwuA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
40% identity, 95% coverage: 28:502/502 of query aligns to 17:490/494 of 7jwuA
- active site: N163 (= N177), K186 (= K200), E262 (= E275), C296 (= C309), E393 (= E405), E470 (≠ D482)
- binding nicotinamide-adenine-dinucleotide: I159 (= I173), I160 (≠ L174), P161 (= P175), W162 (= W176), N163 (= N177), K186 (= K200), E189 (= E203), G219 (= G233), G223 (= G237), A224 (≠ Q238), F237 (= F251), T238 (= T252), G239 (= G253), S240 (= S254), V243 (≠ I257), L263 (= L276), C296 (= C309), Q343 (= Q356), K346 (≠ R359), E393 (= E405), F395 (= F407)
- 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 (≠ V131), F164 (≠ A178), W171 (= W185), Y290 (≠ A303), C295 (≠ I308), I297 (≠ V310), V453 (≠ P465), F459 (≠ T471)
7jwtA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
40% identity, 95% coverage: 28:502/502 of query aligns to 17:490/494 of 7jwtA
- active site: N163 (= N177), K186 (= K200), E262 (= E275), C296 (= C309), E393 (= E405), E470 (≠ D482)
- binding 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ K127), T122 (≠ V131), F164 (≠ A178), M168 (≠ V182), W171 (= W185), Y290 (≠ A303), C295 (≠ I308), V453 (≠ P465), F459 (≠ T471)
7jwsA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
40% identity, 95% coverage: 28:502/502 of query aligns to 17:490/494 of 7jwsA
- active site: N163 (= N177), K186 (= K200), E262 (= E275), C296 (= C309), E393 (= E405), E470 (≠ D482)
- binding 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ K127), T122 (≠ V131), F164 (≠ A178), M168 (≠ V182), W171 (= W185), Y290 (≠ A303), C295 (≠ I308), I297 (≠ V310), V453 (≠ P465), F459 (≠ T471)
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)
40% identity, 95% coverage: 28:502/502 of query aligns to 17:490/494 of 6dumA
- active site: N163 (= N177), K186 (= K200), E262 (= E275), C296 (= C309), E393 (= E405), E470 (≠ D482)
- binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ K127), T122 (≠ V131), F164 (≠ A178), M168 (≠ V182), W171 (= W185), H286 (≠ M299), Y290 (≠ A303), C295 (≠ I308), C296 (= C309), I297 (≠ V310), G451 (≠ A463), V453 (≠ P465), F459 (≠ T471)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I159 (= I173), I160 (≠ L174), P161 (= P175), W162 (= W176), N163 (= N177), K186 (= K200), E189 (= E203), G219 (= G233), P220 (≠ A234), G223 (= G237), A224 (≠ Q238), F237 (= F251), T238 (= T252), G239 (= G253), S240 (= S254), V243 (≠ I257), L263 (= L276), C296 (= C309), Q343 (= Q356), K346 (≠ R359), E393 (= E405), F395 (= F407)
4wp7A Structure of human aldh1a1 with inhibitor cm026 (see paper)
40% identity, 95% coverage: 28:502/502 of query aligns to 17:490/494 of 4wp7A
- active site: N163 (= N177), K186 (= K200), E262 (= E275), C296 (= C309), E393 (= E405), E470 (≠ D482)
- 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 (≠ K127), T122 (≠ V131), F164 (≠ A178), G287 (≠ A300), Y290 (≠ A303), C295 (≠ I308), I297 (≠ V310), G451 (≠ A463), V453 (≠ P465), A455 (= A467)
7um9A Human aldh1a1 with bound compound cm38 (see paper)
40% identity, 95% coverage: 28:502/502 of query aligns to 17:490/494 of 7um9A
- binding nicotinamide-adenine-dinucleotide: I159 (= I173), I160 (≠ L174), P161 (= P175), W162 (= W176), N163 (= N177), K186 (= K200), E189 (= E203), G219 (= G233), G223 (= G237), F237 (= F251), T238 (= T252), G239 (= G253), S240 (= S254), V243 (≠ I257), E262 (= E275), G264 (= G277), Q343 (= Q356), K346 (≠ R359), E393 (= E405), F395 (= F407)
- binding (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone: W171 (= W185), H286 (≠ M299), Y290 (≠ A303), I297 (≠ V310), G451 (≠ A463)
Query Sequence
>Pf6N2E2_1764 FitnessBrowser__pseudo6_N2E2:Pf6N2E2_1764
MNSQVERSALDAISAKARHFIESSKGHYINGHWLRAGATFEIIDPATELPLGELDEADAD
IVGLAVDAARSAFEDRSAWRTMGPSERERILHKLADELEADSDVLADLIAAELGLPRGAA
LAFEVAKVIDVFRYYAGFPSKLTGDTIEIDPAMDDAEFFAYTTHEPVGVVGAILPWNAPL
LVGSWKIAPALAAGCTLVVKPAEDVSLVILRLAELASKAGLPDGVLNVVTGRGAVTGQAL
IEHTGIDKFAFTGSTDIGKRIYKAAADRLVRVSLELGGKNPVIVLADADVKAIAPALCMA
AFANSGQICVSGSKVMAHASIANELLGAMASFAKTLVPGSPFDPETVIGPVCSKKQFDRV
MAYIRQGETEGNVIIGQRQSTSPGFYINPTIITDLPAQSKLLSEEIFGPVITVETWTDEQ
NVIDLTNRSAYGLCATIWGSNHGHIQRLAKRLRTGTVFINSPAFPPANIPTGGFRQSGVG
RDLGKKGLEGFLEPKSVIARIN
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