SitesBLAST
Comparing RR42_RS28560 FitnessBrowser__Cup4G11:RR42_RS28560 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: 12:489/506 of query aligns to 3:481/489 of 4zz7A
- active site: N149 (= N159), K172 (= K182), L246 (≠ M256), C280 (= C290), E382 (= E390), A462 (≠ P470)
- binding nicotinamide-adenine-dinucleotide: T146 (= T156), P147 (= P157), F148 (= F158), N149 (= N159), K172 (= K182), E175 (= E185), K205 (≠ R215), V208 (= V218), F222 (= F232), V223 (= V233), G224 (= G234), S225 (= S235), I228 (≠ V238), L246 (≠ M256), G247 (≠ M257), C280 (= C290), E382 (= E390), F384 (= F392)
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, 94% coverage: 13:489/506 of query aligns to 7:481/487 of P42412
- C36 (≠ A42) 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 (= R113) mutation to L: At least 50-fold decrease of the second-order rate constant for the acylation step.
- A150 (≠ T156) binding
- F152 (= F158) binding
- C160 (≠ L166) 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 (= K182) binding
- E179 (= E185) binding
- R180 (≠ Q186) binding
- S229 (= S235) binding
- T251 (≠ M257) binding
- R283 (= R289) mutation to L: At least 50-fold decrease of the second-order rate constant for the acylation step.
- C287 (≠ T293) 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 (≠ L356) 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 (= E390) binding
- C413 (≠ G421) 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, 94% coverage: 13:489/506 of query aligns to 5:479/484 of 1t90A
- active site: N151 (= N159), K174 (= K182), L248 (≠ M256), C282 (= C290), E380 (= E390), A460 (≠ P470)
- binding nicotinamide-adenine-dinucleotide: I147 (= I155), A148 (≠ T156), P149 (= P157), F150 (= F158), N151 (= N159), W159 (= W167), K174 (= K182), E177 (= E185), R178 (≠ Q186), H207 (≠ R215), V225 (= V233), G226 (= G234), S227 (= S235), V230 (= V238), L248 (≠ M256), T249 (≠ M257), C282 (= C290), E380 (= E390), F382 (= F392)
4iymC Crystal structure of putative methylmalonate-semialdehyde dehydrogenase from sinorhizobium meliloti 1021 complexed with NAD, target 011934
47% identity, 94% coverage: 16:489/506 of query aligns to 10:485/491 of 4iymC
- active site: N153 (= N159), K176 (= K182), F250 (≠ M256), C284 (= C290), E386 (= E390), Q466 (≠ P470)
- binding nicotinamide-adenine-dinucleotide: I149 (= I155), T150 (= T156), P151 (= P157), F152 (= F158), N153 (= N159), F154 (= F160), K176 (= K182), K209 (≠ R215), V212 (= V218), F226 (= F232), V227 (= V233), G228 (= G234), S229 (= S235), I232 (≠ V238), G251 (≠ M257), C284 (= C290), E386 (= E390), F388 (= F392)
5tjrD X-ray crystal structure of a methylmalonate semialdehyde dehydrogenase from pseudomonas sp. Aac (see paper)
47% identity, 94% coverage: 13:489/506 of query aligns to 3:455/468 of 5tjrD
- active site: N144 (= N159), K167 (= K182), L241 (≠ M256), C270 (= C290), E356 (= E390), A436 (≠ P470)
- binding adenosine-5'-diphosphate: I140 (= I155), T141 (= T156), F143 (= F158), K167 (= K182), E170 (= E185), K200 (≠ R215), F217 (= F232), S220 (= S235), I223 (≠ V238)
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)
34% identity, 94% coverage: 14:488/506 of query aligns to 22:495/501 of P00352
- N121 (≠ D110) to S: in dbSNP:rs1049981
- IPWN 167:170 (≠ TPFN 156:159) binding
- I177 (≠ L166) to F: in dbSNP:rs8187929
- KPAE 193:196 (≠ KPSE 182:185) binding
- GP 226:227 (≠ RE 215:216) binding
- GS 246:247 (= GS 234:235) binding
- E269 (≠ M256) active site, Proton acceptor
- ELG 269:271 (≠ MMG 256:258) binding
- C302 (≠ R289) mutation C->A,S: Does not prevent inhibition by duocarmycin analogs.
- C303 (= C290) active site, Nucleophile
- EQYDK 349:353 (≠ AARQR 335:339) binding
- EIF 400:402 (= EIF 390:392) 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)
34% identity, 94% coverage: 14:488/506 of query aligns to 14:487/493 of 4wb9A
- active site: N162 (= N159), K185 (= K182), E261 (≠ M256), C295 (= C290), E392 (= E390), E469 (≠ D467)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I155), I159 (≠ T156), P160 (= P157), W161 (≠ F158), N162 (= N159), K185 (= K182), E188 (= E185), G218 (≠ R215), G222 (≠ D219), F236 (= F232), T237 (≠ V233), G238 (= G234), S239 (= S235), V242 (= V238), G263 (= G258), C295 (= C290), Q342 (≠ A336), K345 (≠ R339), E392 (= E390), F394 (= F392)
7um9A Human aldh1a1 with bound compound cm38 (see paper)
34% identity, 94% coverage: 14:488/506 of query aligns to 15:488/494 of 7um9A
- binding nicotinamide-adenine-dinucleotide: I159 (= I155), I160 (≠ T156), P161 (= P157), W162 (≠ F158), N163 (= N159), K186 (= K182), E189 (= E185), G219 (≠ R215), G223 (≠ D219), F237 (= F232), T238 (≠ V233), G239 (= G234), S240 (= S235), V243 (= V238), E262 (≠ M256), G264 (= G258), Q343 (≠ A336), K346 (≠ R339), E393 (= E390), F395 (= F392)
- binding (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone: W171 (= W167), H286 (≠ G280), Y290 (≠ G284), I297 (≠ M291), G451 (vs. gap)
5l2oA Crystal structure of aldh1a1 in complex with buc22 (see paper)
34% identity, 94% coverage: 14:488/506 of query aligns to 15:488/494 of 5l2oA
5l2nA Structure of aldh1a1 in complex with buc25 (see paper)
34% identity, 94% coverage: 14:488/506 of query aligns to 15:488/494 of 5l2nA
- active site: N163 (= N159), K186 (= K182), E262 (≠ M256), C296 (= C290), E393 (= E390), E470 (≠ D467)
- binding 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate: F164 (= F160), M168 (≠ I164), W171 (= W167), H286 (≠ G280), G287 (≠ A281), Y290 (≠ G284), C295 (≠ R289), C296 (= C290), I297 (≠ M291), Y450 (≠ P447), G451 (vs. gap), V453 (≠ I448), F459 (≠ Y454)
5l2mA Structure of aldh1a1 in complex with buc11 (see paper)
34% identity, 94% coverage: 14:488/506 of query aligns to 15:488/494 of 5l2mA
- active site: N163 (= N159), K186 (= K182), E262 (≠ M256), C296 (= C290), E393 (= E390), E470 (≠ D467)
- binding 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one: F164 (= F160), F283 (≠ A277), H286 (≠ G280), Y290 (≠ G284)
4wpnA Structure of human aldh1a1 with inhibitor cm053 (see paper)
34% identity, 94% coverage: 14:488/506 of query aligns to 15:488/494 of 4wpnA
- active site: N163 (= N159), K186 (= K182), E262 (≠ M256), C296 (= C290), E393 (= E390), E470 (≠ D467)
- 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 (= F160), H286 (≠ G280), G287 (≠ A281), Y290 (≠ G284), C295 (≠ R289), I297 (≠ M291), G451 (vs. gap), V453 (≠ I448)
7jwwA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
34% identity, 94% coverage: 14:488/506 of query aligns to 15:488/494 of 7jwwA
- active site: N163 (= N159), K186 (= K182), E262 (≠ M256), C296 (= C290), E393 (= E390), E470 (≠ D467)
- 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 (= G114), T122 (≠ V118), F164 (= F160), M168 (≠ I164), Y290 (≠ G284), C295 (≠ R289), C296 (= C290), I297 (≠ M291), V453 (≠ I448), F459 (≠ Y454)
7jwvA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
34% identity, 94% coverage: 14:488/506 of query aligns to 15:488/494 of 7jwvA
- active site: N163 (= N159), K186 (= K182), E262 (≠ M256), C296 (= C290), E393 (= E390), E470 (≠ D467)
- binding 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (= G114), T122 (≠ V118), F164 (= F160), M168 (≠ I164), Y290 (≠ G284), C295 (≠ R289), I297 (≠ M291), V453 (≠ I448), F459 (≠ Y454)
7jwuA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
34% identity, 94% coverage: 14:488/506 of query aligns to 15:488/494 of 7jwuA
- active site: N163 (= N159), K186 (= K182), E262 (≠ M256), C296 (= C290), E393 (= E390), E470 (≠ D467)
- binding nicotinamide-adenine-dinucleotide: I159 (= I155), I160 (≠ T156), P161 (= P157), W162 (≠ F158), N163 (= N159), K186 (= K182), E189 (= E185), G219 (≠ R215), G223 (≠ D219), A224 (vs. gap), F237 (= F232), T238 (≠ V233), G239 (= G234), S240 (= S235), V243 (= V238), L263 (≠ M257), C296 (= C290), Q343 (≠ A336), K346 (≠ R339), E393 (= E390), F395 (= F392)
- 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 (≠ V118), F164 (= F160), W171 (= W167), Y290 (≠ G284), C295 (≠ R289), I297 (≠ M291), V453 (≠ I448), F459 (≠ Y454)
7jwtA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
34% identity, 94% coverage: 14:488/506 of query aligns to 15:488/494 of 7jwtA
- active site: N163 (= N159), K186 (= K182), E262 (≠ M256), C296 (= C290), E393 (= E390), E470 (≠ D467)
- binding 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (= G114), T122 (≠ V118), F164 (= F160), M168 (≠ I164), W171 (= W167), Y290 (≠ G284), C295 (≠ R289), V453 (≠ I448), F459 (≠ Y454)
7jwsA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
34% identity, 94% coverage: 14:488/506 of query aligns to 15:488/494 of 7jwsA
- active site: N163 (= N159), K186 (= K182), E262 (≠ M256), C296 (= C290), E393 (= E390), E470 (≠ D467)
- binding 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (= G114), T122 (≠ V118), F164 (= F160), M168 (≠ I164), W171 (= W167), Y290 (≠ G284), C295 (≠ R289), I297 (≠ M291), V453 (≠ I448), F459 (≠ Y454)
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)
34% identity, 94% coverage: 14:488/506 of query aligns to 15:488/494 of 6dumA
- active site: N163 (= N159), K186 (= K182), E262 (≠ M256), C296 (= C290), E393 (= E390), E470 (≠ D467)
- binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (= G114), T122 (≠ V118), F164 (= F160), M168 (≠ I164), W171 (= W167), H286 (≠ G280), Y290 (≠ G284), C295 (≠ R289), C296 (= C290), I297 (≠ M291), G451 (vs. gap), V453 (≠ I448), F459 (≠ Y454)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I159 (= I155), I160 (≠ T156), P161 (= P157), W162 (≠ F158), N163 (= N159), K186 (= K182), E189 (= E185), G219 (≠ R215), P220 (≠ E216), G223 (≠ D219), A224 (vs. gap), F237 (= F232), T238 (≠ V233), G239 (= G234), S240 (= S235), V243 (= V238), L263 (≠ M257), C296 (= C290), Q343 (≠ A336), K346 (≠ R339), E393 (= E390), F395 (= F392)
4wp7A Structure of human aldh1a1 with inhibitor cm026 (see paper)
34% identity, 94% coverage: 14:488/506 of query aligns to 15:488/494 of 4wp7A
- active site: N163 (= N159), K186 (= K182), E262 (≠ M256), C296 (= C290), E393 (= E390), E470 (≠ D467)
- 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 (= G114), T122 (≠ V118), F164 (= F160), G287 (≠ A281), Y290 (≠ G284), C295 (≠ R289), I297 (≠ M291), G451 (vs. gap), V453 (≠ I448), A455 (≠ V450)
5teiA Structure of human aldh1a1 with inhibitor cm039
34% identity, 94% coverage: 14:488/506 of query aligns to 14:487/493 of 5teiA
- active site: N162 (= N159), K185 (= K182), E261 (≠ M256), C295 (= C290), E392 (= E390), E469 (≠ D467)
- binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: S113 (≠ D110), F163 (= F160), H285 (≠ G280), G286 (≠ A281), Y289 (≠ G284), C295 (= C290), G450 (vs. gap), V452 (≠ I448), F458 (≠ Y454)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I155), I159 (≠ T156), P160 (= P157), W161 (≠ F158), N162 (= N159), K185 (= K182), E188 (= E185), G218 (≠ R215), G222 (≠ D219), A223 (vs. gap), F236 (= F232), T237 (≠ V233), G238 (= G234), S239 (= S235), V242 (= V238), C295 (= C290), Q342 (≠ A336), K345 (≠ R339), E392 (= E390), F394 (= F392)
Query Sequence
>RR42_RS28560 FitnessBrowser__Cup4G11:RR42_RS28560
MSAQNPNAAAPTVKLLINGEWVESAATEFRPVVNPATQQVLAQVPLATAAEVNAAVGAAH
RAFATWRHTPLGARLRIMLKYQALIREHSKRIAAILTAEQGKTLADAEGDIFRGLEVVEH
ACSIGTLQQGGFAENVAATVDTYTLQQPIGVCAGITPFNFPAMIPLWMFPMAIVCGNTFV
LKPSEQDPLSTMELVKLAIEAGVPAGVLNVVHGAREVVDALCTHPDIKAVSFVGSTAVGT
HVYNLAGAHGKRVQSMMGAKNHAVVLPDAHREHTLNALAGAAFGAAGQRCMATSVAVLVG
AAREWLPELVKKAATLKVGAGNEPGTDVCPVVSVAARQRVLGLIEAGEREGATLALDGRN
VQVAGYPEGNFIGPTVFADVTTEMSIYTQEIFGPVLVVIGVETLDEAIALVNRNPFGNGT
GIFTQSGAAARKFQSEIDVGQVGINIPIPVPVPYFSFTGSRGSKLGDLGPYGKQVVQFYT
QTKTVTARWFDDATVNDGVNTTISLR
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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