SitesBLAST
Comparing Pf1N1B4_1229 FitnessBrowser__pseudo1_N1B4:Pf1N1B4_1229 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)
4zz7A Crystal structure of methylmalonate-semialdehyde dehydrogenase (dddc) from oceanimonas doudoroffii (see paper)
49% identity, 94% coverage: 15:488/505 of query aligns to 7:481/489 of 4zz7A
- active site: N149 (= N158), K172 (= K181), L246 (≠ M255), C280 (= C289), E382 (= E389), A462 (≠ P469)
- binding nicotinamide-adenine-dinucleotide: T146 (= T155), P147 (= P156), F148 (= F157), N149 (= N158), K172 (= K181), E175 (= E184), K205 (= K214), V208 (= V217), F222 (= F231), V223 (= V232), G224 (= G233), S225 (= S234), I228 (≠ V237), L246 (≠ M255), G247 (≠ M256), C280 (= C289), E382 (= E389), F384 (= F391)
4iymC Crystal structure of putative methylmalonate-semialdehyde dehydrogenase from sinorhizobium meliloti 1021 complexed with NAD, target 011934
48% identity, 96% coverage: 6:488/505 of query aligns to 1:485/491 of 4iymC
- active site: N153 (= N158), K176 (= K181), F250 (≠ M255), C284 (= C289), E386 (= E389), Q466 (≠ P469)
- binding nicotinamide-adenine-dinucleotide: I149 (= I154), T150 (= T155), P151 (= P156), F152 (= F157), N153 (= N158), F154 (= F159), K176 (= K181), K209 (= K214), V212 (= V217), F226 (= F231), V227 (= V232), G228 (= G233), S229 (= S234), I232 (≠ V237), G251 (≠ M256), C284 (= C289), E386 (= E389), F388 (= F391)
P42412 Malonate-semialdehyde dehydrogenase; MSA dehydrogenase; Methylmalonate-semialdehyde dehydrogenase; MMSA dehydrogenase; MMSDH; MSDH; EC 1.2.1.27 from Bacillus subtilis (strain 168) (see 3 papers)
47% identity, 95% coverage: 9:488/505 of query aligns to 4:481/487 of P42412
- C36 (≠ A41) mutation to A: No effect at either the structural or enzymatic levels; when associated with A-160; A-287; A-351 and A-413.
- R107 (= R112) mutation to L: At least 50-fold decrease of the second-order rate constant for the acylation step.
- A150 (≠ T155) binding
- F152 (= F157) binding
- C160 (≠ L165) mutation to A: No effect at either the structural or enzymatic levels; when associated with A-36; A-287; A-351 and A-413.
- K176 (= K181) binding
- E179 (= E184) binding
- R180 (≠ Q185) binding
- S229 (= S234) binding
- T251 (≠ M256) binding
- R283 (= R288) mutation to L: At least 50-fold decrease of the second-order rate constant for the acylation step.
- C287 (≠ T292) mutation to A: No effect at either the structural or enzymatic levels; when associated with A-36; A-160; A-351 and A-413.
- C351 (≠ L355) mutation to A: No effect at either the structural or enzymatic levels; when associated with A-36; A-160; A-287 and A-413.
- E382 (= E389) binding
- C413 (≠ G420) mutation to A: No effect at either the structural or enzymatic levels; when associated with A-36; A-160; A-287 and A-351.
1t90A Crystal structure of methylmalonate semialdehyde dehydrogenase from bacillus subtilis
47% identity, 95% coverage: 9:488/505 of query aligns to 2:479/484 of 1t90A
- active site: N151 (= N158), K174 (= K181), L248 (≠ M255), C282 (= C289), E380 (= E389), A460 (≠ P469)
- binding nicotinamide-adenine-dinucleotide: I147 (= I154), A148 (≠ T155), P149 (= P156), F150 (= F157), N151 (= N158), W159 (= W166), K174 (= K181), E177 (= E184), R178 (≠ Q185), H207 (≠ K214), V225 (= V232), G226 (= G233), S227 (= S234), V230 (= V237), L248 (≠ M255), T249 (≠ M256), C282 (= C289), E380 (= E389), F382 (= F391)
5tjrD X-ray crystal structure of a methylmalonate semialdehyde dehydrogenase from pseudomonas sp. Aac (see paper)
48% identity, 94% coverage: 12:488/505 of query aligns to 3:455/468 of 5tjrD
- active site: N144 (= N158), K167 (= K181), L241 (≠ M255), C270 (= C289), E356 (= E389), A436 (≠ P469)
- binding adenosine-5'-diphosphate: I140 (= I154), T141 (= T155), F143 (= F157), K167 (= K181), E170 (= E184), K200 (= K214), F217 (= F231), S220 (= S234), I223 (≠ V237)
7um9A Human aldh1a1 with bound compound cm38 (see paper)
36% identity, 95% coverage: 9:487/505 of query aligns to 11:488/494 of 7um9A
- binding nicotinamide-adenine-dinucleotide: I159 (= I154), I160 (≠ T155), P161 (= P156), W162 (≠ F157), N163 (= N158), K186 (= K181), E189 (= E184), G219 (= G213), G223 (≠ V217), F237 (= F231), T238 (≠ V232), G239 (= G233), S240 (= S234), V243 (= V237), E262 (≠ M255), G264 (= G257), Q343 (≠ A335), K346 (≠ R338), E393 (= E389), F395 (= F391)
- binding (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone: W171 (= W166), H286 (≠ G279), Y290 (≠ G283), I297 (≠ M290), G451 (vs. gap)
5l2oA Crystal structure of aldh1a1 in complex with buc22 (see paper)
36% identity, 95% coverage: 9:487/505 of query aligns to 11:488/494 of 5l2oA
5l2nA Structure of aldh1a1 in complex with buc25 (see paper)
36% identity, 95% coverage: 9:487/505 of query aligns to 11:488/494 of 5l2nA
- active site: N163 (= N158), K186 (= K181), E262 (≠ M255), C296 (= C289), E393 (= E389), E470 (≠ D466)
- binding 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate: F164 (= F159), M168 (≠ I163), W171 (= W166), H286 (≠ G279), G287 (≠ A280), Y290 (≠ G283), C295 (≠ R288), C296 (= C289), I297 (≠ M290), Y450 (≠ P446), G451 (vs. gap), V453 (≠ I447), F459 (= F453)
5l2mA Structure of aldh1a1 in complex with buc11 (see paper)
36% identity, 95% coverage: 9:487/505 of query aligns to 11:488/494 of 5l2mA
- active site: N163 (= N158), K186 (= K181), E262 (≠ M255), C296 (= C289), E393 (= E389), E470 (≠ D466)
- binding 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one: F164 (= F159), F283 (≠ A276), H286 (≠ G279), Y290 (≠ G283)
4wpnA Structure of human aldh1a1 with inhibitor cm053 (see paper)
36% identity, 95% coverage: 9:487/505 of query aligns to 11:488/494 of 4wpnA
- active site: N163 (= N158), K186 (= K181), E262 (≠ M255), C296 (= C289), E393 (= E389), E470 (≠ D466)
- 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 (= F159), H286 (≠ G279), G287 (≠ A280), Y290 (≠ G283), C295 (≠ R288), I297 (≠ M290), G451 (vs. gap), V453 (≠ I447)
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)
36% identity, 95% coverage: 9:487/505 of query aligns to 18:495/501 of P00352
- N121 (≠ D109) to S: in dbSNP:rs1049981
- IPWN 167:170 (≠ TPFN 155:158) binding
- I177 (≠ L165) to F: in dbSNP:rs8187929
- KPAE 193:196 (≠ KPSE 181:184) binding
- GP 226:227 (≠ GK 213:214) binding
- GS 246:247 (= GS 233:234) binding
- E269 (≠ M255) active site, Proton acceptor
- ELG 269:271 (≠ MMG 255:257) binding
- C302 (≠ R288) mutation C->A,S: Does not prevent inhibition by duocarmycin analogs.
- C303 (= C289) active site, Nucleophile
- EQYDK 349:353 (≠ RAKAR 334:338) binding
- EIF 400:402 (= EIF 389:391) binding
- G458 (vs. gap) 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
4wb9A Human aldh1a1 complexed with nadh (see paper)
36% identity, 95% coverage: 9:487/505 of query aligns to 10:487/493 of 4wb9A
- active site: N162 (= N158), K185 (= K181), E261 (≠ M255), C295 (= C289), E392 (= E389), E469 (≠ D466)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I154), I159 (≠ T155), P160 (= P156), W161 (≠ F157), N162 (= N158), K185 (= K181), E188 (= E184), G218 (= G213), G222 (≠ V217), F236 (= F231), T237 (≠ V232), G238 (= G233), S239 (= S234), V242 (= V237), G263 (= G257), C295 (= C289), Q342 (≠ A335), K345 (≠ R338), E392 (= E389), F394 (= F391)
7jwwA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
36% identity, 95% coverage: 9:487/505 of query aligns to 11:488/494 of 7jwwA
- active site: N163 (= N158), K186 (= K181), E262 (≠ M255), C296 (= C289), E393 (= E389), E470 (≠ D466)
- 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 (= G113), T122 (≠ V117), F164 (= F159), M168 (≠ I163), Y290 (≠ G283), C295 (≠ R288), C296 (= C289), I297 (≠ M290), V453 (≠ I447), F459 (= F453)
7jwvA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
36% identity, 95% coverage: 9:487/505 of query aligns to 11:488/494 of 7jwvA
- active site: N163 (= N158), K186 (= K181), E262 (≠ M255), C296 (= C289), E393 (= E389), E470 (≠ D466)
- binding 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (= G113), T122 (≠ V117), F164 (= F159), M168 (≠ I163), Y290 (≠ G283), C295 (≠ R288), I297 (≠ M290), V453 (≠ I447), F459 (= F453)
7jwuA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
36% identity, 95% coverage: 9:487/505 of query aligns to 11:488/494 of 7jwuA
- active site: N163 (= N158), K186 (= K181), E262 (≠ M255), C296 (= C289), E393 (= E389), E470 (≠ D466)
- binding nicotinamide-adenine-dinucleotide: I159 (= I154), I160 (≠ T155), P161 (= P156), W162 (≠ F157), N163 (= N158), K186 (= K181), E189 (= E184), G219 (= G213), G223 (≠ V217), A224 (≠ D218), F237 (= F231), T238 (≠ V232), G239 (= G233), S240 (= S234), V243 (= V237), L263 (≠ M256), C296 (= C289), Q343 (≠ A335), K346 (≠ R338), E393 (= E389), F395 (= F391)
- 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 (≠ V117), F164 (= F159), W171 (= W166), Y290 (≠ G283), C295 (≠ R288), I297 (≠ M290), V453 (≠ I447), F459 (= F453)
7jwtA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
36% identity, 95% coverage: 9:487/505 of query aligns to 11:488/494 of 7jwtA
- active site: N163 (= N158), K186 (= K181), E262 (≠ M255), C296 (= C289), E393 (= E389), E470 (≠ D466)
- binding 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (= G113), T122 (≠ V117), F164 (= F159), M168 (≠ I163), W171 (= W166), Y290 (≠ G283), C295 (≠ R288), V453 (≠ I447), F459 (= F453)
7jwsA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
36% identity, 95% coverage: 9:487/505 of query aligns to 11:488/494 of 7jwsA
- active site: N163 (= N158), K186 (= K181), E262 (≠ M255), C296 (= C289), E393 (= E389), E470 (≠ D466)
- binding 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (= G113), T122 (≠ V117), F164 (= F159), M168 (≠ I163), W171 (= W166), Y290 (≠ G283), C295 (≠ R288), I297 (≠ M290), V453 (≠ I447), F459 (= F453)
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)
36% identity, 95% coverage: 9:487/505 of query aligns to 11:488/494 of 6dumA
- active site: N163 (= N158), K186 (= K181), E262 (≠ M255), C296 (= C289), E393 (= E389), E470 (≠ D466)
- binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (= G113), T122 (≠ V117), F164 (= F159), M168 (≠ I163), W171 (= W166), H286 (≠ G279), Y290 (≠ G283), C295 (≠ R288), C296 (= C289), I297 (≠ M290), G451 (vs. gap), V453 (≠ I447), F459 (= F453)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I159 (= I154), I160 (≠ T155), P161 (= P156), W162 (≠ F157), N163 (= N158), K186 (= K181), E189 (= E184), G219 (= G213), P220 (≠ K214), G223 (≠ V217), A224 (≠ D218), F237 (= F231), T238 (≠ V232), G239 (= G233), S240 (= S234), V243 (= V237), L263 (≠ M256), C296 (= C289), Q343 (≠ A335), K346 (≠ R338), E393 (= E389), F395 (= F391)
4wp7A Structure of human aldh1a1 with inhibitor cm026 (see paper)
36% identity, 95% coverage: 9:487/505 of query aligns to 11:488/494 of 4wp7A
- active site: N163 (= N158), K186 (= K181), E262 (≠ M255), C296 (= C289), E393 (= E389), E470 (≠ D466)
- 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 (= G113), T122 (≠ V117), F164 (= F159), G287 (≠ A280), Y290 (≠ G283), C295 (≠ R288), I297 (≠ M290), G451 (vs. gap), V453 (≠ I447), A455 (≠ V449)
5teiA Structure of human aldh1a1 with inhibitor cm039
36% identity, 95% coverage: 9:487/505 of query aligns to 10:487/493 of 5teiA
- active site: N162 (= N158), K185 (= K181), E261 (≠ M255), C295 (= C289), E392 (= E389), E469 (≠ D466)
- binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: S113 (≠ D109), F163 (= F159), H285 (≠ G279), G286 (≠ A280), Y289 (≠ G283), C295 (= C289), G450 (vs. gap), V452 (≠ I447), F458 (= F453)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I154), I159 (≠ T155), P160 (= P156), W161 (≠ F157), N162 (= N158), K185 (= K181), E188 (= E184), G218 (= G213), G222 (≠ V217), A223 (≠ D218), F236 (= F231), T237 (≠ V232), G238 (= G233), S239 (= S234), V242 (= V237), C295 (= C289), Q342 (≠ A335), K345 (≠ R338), E392 (= E389), F394 (= F391)
Query Sequence
>Pf1N1B4_1229 FitnessBrowser__pseudo1_N1B4:Pf1N1B4_1229
MNASLETTVQKVKLLIDGEWVESQTTEWHDIVNPATQQVLAKVPFATAAEVDAAISAAHR
AFQTWKLTPIGARMRIMLKLQALIREHSKRIAVVLSNEQGKTIADAEGDIFRGLEVVEHA
CSIGSLQMGEFAENVAGGVDTYTLRQPIGVCAGITPFNFPAMIPLWMFPMAIACGNTFVL
KPSEQDPMSTMLLVELAIEAGIPPGVLNVVHGGKDVVDALCTHKDIKAVSFVGSTAVGTH
VYDLAGKHGKRVQSMMGAKNHAVVLPDANREQALNALVGAGFGAAGQRCMATSVVVLVGA
AKQWLPDLKALAQKLKVNAGSEPGTDVGPVISKRAKARILDLIESGIKEGAKLELDGRDI
SVPGYEKGNFVGPTLFSGVTPEMQIYTQEIFGPVLVVLEVDTLDQAIALVNANPFGNGTG
LFTQSGAAARKFQTEIDVGQVGINIPIPVPVPFFSFTGSRGSKLGDLGPYGKQVVQFYTQ
TKTVTARWFDDDSVNDGVNTTIHLR
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