SitesBLAST
Comparing AO356_07950 AO356_07950 methylmalonate-semialdehyde dehydrogenase 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)
5tjrD X-ray crystal structure of a methylmalonate semialdehyde dehydrogenase from pseudomonas sp. Aac (see paper)
85% identity, 99% coverage: 2:494/497 of query aligns to 1:468/468 of 5tjrD
- active site: N144 (= N149), K167 (= K172), L241 (= L246), C270 (= C280), E356 (= E382), A436 (= A462)
- binding adenosine-5'-diphosphate: I140 (= I145), T141 (= T146), F143 (= F148), K167 (= K172), E170 (= E175), K200 (= K205), F217 (= F222), S220 (= S225), I223 (= I228)
4zz7A Crystal structure of methylmalonate-semialdehyde dehydrogenase (dddc) from oceanimonas doudoroffii (see paper)
68% identity, 98% coverage: 1:488/497 of query aligns to 1:488/489 of 4zz7A
- active site: N149 (= N149), K172 (= K172), L246 (= L246), C280 (= C280), E382 (= E382), A462 (= A462)
- binding nicotinamide-adenine-dinucleotide: T146 (= T146), P147 (= P147), F148 (= F148), N149 (= N149), K172 (= K172), E175 (= E175), K205 (= K205), V208 (= V208), F222 (= F222), V223 (= V223), G224 (= G224), S225 (= S225), I228 (= I228), L246 (= L246), G247 (= G247), C280 (= C280), E382 (= E382), F384 (= F384)
4iymC Crystal structure of putative methylmalonate-semialdehyde dehydrogenase from sinorhizobium meliloti 1021 complexed with NAD, target 011934
54% identity, 97% coverage: 1:483/497 of query aligns to 4:487/491 of 4iymC
- active site: N153 (= N149), K176 (= K172), F250 (≠ L246), C284 (= C280), E386 (= E382), Q466 (≠ A462)
- binding nicotinamide-adenine-dinucleotide: I149 (= I145), T150 (= T146), P151 (= P147), F152 (= F148), N153 (= N149), F154 (= F150), K176 (= K172), K209 (= K205), V212 (= V208), F226 (= F222), V227 (= V223), G228 (= G224), S229 (= S225), I232 (= I228), G251 (= G247), C284 (= C280), E386 (= E382), F388 (= F384)
1t90A Crystal structure of methylmalonate semialdehyde dehydrogenase from bacillus subtilis
45% identity, 96% coverage: 4:482/497 of query aligns to 5:480/484 of 1t90A
- active site: N151 (= N149), K174 (= K172), L248 (= L246), C282 (= C280), E380 (= E382), A460 (= A462)
- binding nicotinamide-adenine-dinucleotide: I147 (= I145), A148 (≠ T146), P149 (= P147), F150 (= F148), N151 (= N149), W159 (= W157), K174 (= K172), E177 (= E175), R178 (= R176), H207 (≠ K205), V225 (= V223), G226 (= G224), S227 (= S225), V230 (≠ I228), L248 (= L246), T249 (≠ G247), C282 (= C280), E380 (= E382), F382 (= F384)
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)
45% identity, 96% coverage: 4:482/497 of query aligns to 7:482/487 of P42412
- C36 (≠ H32) 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 (= R103) mutation to L: At least 50-fold decrease of the second-order rate constant for the acylation step.
- A150 (≠ T146) binding
- F152 (= F148) binding
- C160 (≠ L156) 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 (= K172) binding
- E179 (= E175) binding
- R180 (= R176) binding
- S229 (= S225) binding
- T251 (≠ G247) binding
- R283 (= R279) mutation to L: At least 50-fold decrease of the second-order rate constant for the acylation step.
- C287 (≠ I283) 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 (≠ V348) 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 (= E382) binding
- C413 (= C413) mutation to A: No effect at either the structural or enzymatic levels; when associated with A-36; A-160; A-287 and A-351.
5izdA Wild-type glyceraldehyde dehydrogenase from thermoplasma acidophilum in complex with NADP
32% identity, 89% coverage: 8:448/497 of query aligns to 7:448/494 of 5izdA
- active site: N149 (= N149), K172 (= K172), E247 (≠ A245), C281 (= C280), E381 (= E382)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: L145 (≠ I145), T146 (= T146), W148 (≠ F148), K172 (= K172), P173 (= P173), S174 (= S174), S175 (≠ E175), R204 (≠ D204), G205 (≠ K205), G209 (vs. gap), D210 (= D209), G225 (= G224), S226 (= S225), T229 (≠ I228)
Sites not aligning to the query:
7radA Crystal structure analysis of aldh1b1
31% identity, 95% coverage: 16:486/497 of query aligns to 26:493/493 of 7radA
- binding nicotinamide-adenine-dinucleotide: I158 (= I145), I159 (≠ T146), P160 (= P147), W161 (≠ F148), N162 (= N149), M167 (≠ V154), K185 (= K172), E188 (= E175), G218 (≠ D204), G222 (≠ V208), A223 (≠ D209), T237 (≠ V223), G238 (= G224), S239 (= S225), V242 (≠ I228), E261 (≠ L246), L262 (≠ G247), C295 (= C280), E392 (= E382), F394 (= F384)
- binding 3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine: L113 (≠ G99), E117 (≠ R103), F163 (= F150), E285 (≠ G270), F289 (≠ G274), N450 (≠ P441), V452 (≠ P443)
7mjdA Crystal structure analysis of aldh1b1
31% identity, 95% coverage: 16:486/497 of query aligns to 26:493/493 of 7mjdA
- binding nicotinamide-adenine-dinucleotide: I158 (= I145), I159 (≠ T146), P160 (= P147), W161 (≠ F148), N162 (= N149), M167 (≠ V154), K185 (= K172), E188 (= E175), G218 (≠ D204), G222 (≠ V208), F236 (= F222), T237 (≠ V223), G238 (= G224), S239 (= S225), V242 (≠ I228), E261 (≠ L246), L262 (≠ G247), C295 (= C280), E392 (= E382), F394 (= F384)
- binding 8-(2-methoxyphenyl)-10-(4-phenylphenyl)-1$l^{4},8-diazabicyclo[5.3.0]deca-1(7),9-diene: E117 (≠ R103), E285 (≠ G270), F289 (≠ G274), N450 (≠ P441), V452 (≠ P443)
7mjcA Crystal structure analysis of aldh1b1
31% identity, 95% coverage: 16:486/497 of query aligns to 26:493/493 of 7mjcA
- binding nicotinamide-adenine-dinucleotide: I158 (= I145), I159 (≠ T146), P160 (= P147), W161 (≠ F148), N162 (= N149), K185 (= K172), E188 (= E175), G218 (≠ D204), G222 (≠ V208), T237 (≠ V223), G238 (= G224), S239 (= S225), V242 (≠ I228), E261 (≠ L246), L262 (≠ G247), C295 (= C280), E392 (= E382), F394 (= F384)
5teiA Structure of human aldh1a1 with inhibitor cm039
31% identity, 97% coverage: 7:486/497 of query aligns to 16:493/493 of 5teiA
- active site: N162 (= N149), K185 (= K172), E261 (≠ L246), C295 (= C280), E392 (= E382), E469 (≠ A462)
- binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: S113 (≠ G99), F163 (= F150), H285 (≠ G270), G286 (≠ A271), Y289 (≠ G274), C295 (= C280), G450 (≠ P441), V452 (≠ P443), F458 (= F449)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I145), I159 (≠ T146), P160 (= P147), W161 (≠ F148), N162 (= N149), K185 (= K172), E188 (= E175), G218 (≠ K205), G222 (≠ D209), A223 (= A210), F236 (= F222), T237 (≠ V223), G238 (= G224), S239 (= S225), V242 (≠ I228), C295 (= C280), Q342 (≠ H328), K345 (= K331), E392 (= E382), F394 (= F384)
4x4lA Structure of human aldh1a1 with inhibitor cm037 (see paper)
31% identity, 97% coverage: 7:486/497 of query aligns to 16:493/493 of 4x4lA
- active site: N162 (= N149), K185 (= K172), E261 (≠ L246), C295 (= C280), E392 (= E382), E469 (≠ A462)
- binding ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate: S113 (≠ G99), M167 (≠ V154), W170 (= W157), Y289 (≠ G274), G450 (≠ P441), F458 (= F449)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I145), I159 (≠ T146), P160 (= P147), W161 (≠ F148), K185 (= K172), E188 (= E175), G218 (≠ K205), G222 (≠ D209), F236 (= F222), T237 (≠ V223), G238 (= G224), S239 (= S225), V242 (≠ I228), C295 (= C280), Q342 (≠ H328), K345 (= K331), E392 (= E382), F394 (= F384)
4wb9A Human aldh1a1 complexed with nadh (see paper)
31% identity, 97% coverage: 7:486/497 of query aligns to 16:493/493 of 4wb9A
- active site: N162 (= N149), K185 (= K172), E261 (≠ L246), C295 (= C280), E392 (= E382), E469 (≠ A462)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I145), I159 (≠ T146), P160 (= P147), W161 (≠ F148), N162 (= N149), K185 (= K172), E188 (= E175), G218 (≠ K205), G222 (≠ D209), F236 (= F222), T237 (≠ V223), G238 (= G224), S239 (= S225), V242 (≠ I228), G263 (= G248), C295 (= C280), Q342 (≠ H328), K345 (= K331), E392 (= E382), F394 (= F384)
7jwwA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
31% identity, 97% coverage: 7:486/497 of query aligns to 17:494/494 of 7jwwA
- active site: N163 (= N149), K186 (= K172), E262 (≠ L246), C296 (= C280), E393 (= E382), E470 (≠ A462)
- 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 (≠ R103), T122 (≠ N107), F164 (= F150), M168 (≠ V154), Y290 (≠ G274), C295 (≠ R279), C296 (= C280), I297 (≠ M281), V453 (≠ P443), F459 (= F449)
7jwvA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
31% identity, 97% coverage: 7:486/497 of query aligns to 17:494/494 of 7jwvA
- active site: N163 (= N149), K186 (= K172), E262 (≠ L246), C296 (= C280), E393 (= E382), E470 (≠ A462)
- binding 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ R103), T122 (≠ N107), F164 (= F150), M168 (≠ V154), Y290 (≠ G274), C295 (≠ R279), I297 (≠ M281), V453 (≠ P443), F459 (= F449)
7jwuA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
31% identity, 97% coverage: 7:486/497 of query aligns to 17:494/494 of 7jwuA
- active site: N163 (= N149), K186 (= K172), E262 (≠ L246), C296 (= C280), E393 (= E382), E470 (≠ A462)
- binding nicotinamide-adenine-dinucleotide: I159 (= I145), I160 (≠ T146), P161 (= P147), W162 (≠ F148), N163 (= N149), K186 (= K172), E189 (= E175), G219 (≠ K205), G223 (≠ D209), A224 (= A210), F237 (= F222), T238 (≠ V223), G239 (= G224), S240 (= S225), V243 (≠ I228), L263 (≠ G247), C296 (= C280), Q343 (≠ H328), K346 (= K331), E393 (= E382), F395 (= F384)
- 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 (≠ N107), F164 (= F150), W171 (= W157), Y290 (≠ G274), C295 (≠ R279), I297 (≠ M281), V453 (≠ P443), F459 (= F449)
7jwtA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
31% identity, 97% coverage: 7:486/497 of query aligns to 17:494/494 of 7jwtA
- active site: N163 (= N149), K186 (= K172), E262 (≠ L246), C296 (= C280), E393 (= E382), E470 (≠ A462)
- binding 6-{[(1R)-1-(3-hydroxyphenyl)ethyl]sulfanyl}-1-methyl-5-phenyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ R103), T122 (≠ N107), F164 (= F150), M168 (≠ V154), W171 (= W157), Y290 (≠ G274), C295 (≠ R279), V453 (≠ P443), F459 (= F449)
7jwsA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
31% identity, 97% coverage: 7:486/497 of query aligns to 17:494/494 of 7jwsA
- active site: N163 (= N149), K186 (= K172), E262 (≠ L246), C296 (= C280), E393 (= E382), E470 (≠ A462)
- binding 1-methyl-5-phenyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ R103), T122 (≠ N107), F164 (= F150), M168 (≠ V154), W171 (= W157), Y290 (≠ G274), C295 (≠ R279), I297 (≠ M281), V453 (≠ P443), F459 (= F449)
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)
31% identity, 97% coverage: 7:486/497 of query aligns to 17:494/494 of 6dumA
- active site: N163 (= N149), K186 (= K172), E262 (≠ L246), C296 (= C280), E393 (= E382), E470 (≠ A462)
- binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-2-(oxetan-3-yl)-5-phenyl-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ R103), T122 (≠ N107), F164 (= F150), M168 (≠ V154), W171 (= W157), H286 (≠ G270), Y290 (≠ G274), C295 (≠ R279), C296 (= C280), I297 (≠ M281), G451 (≠ P441), V453 (≠ P443), F459 (= F449)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I159 (= I145), I160 (≠ T146), P161 (= P147), W162 (≠ F148), N163 (= N149), K186 (= K172), E189 (= E175), G219 (≠ K205), P220 (≠ A206), G223 (≠ D209), A224 (= A210), F237 (= F222), T238 (≠ V223), G239 (= G224), S240 (= S225), V243 (≠ I228), L263 (≠ G247), C296 (= C280), Q343 (≠ H328), K346 (= K331), E393 (= E382), F395 (= F384)
4wp7A Structure of human aldh1a1 with inhibitor cm026 (see paper)
31% identity, 97% coverage: 7:486/497 of query aligns to 17:494/494 of 4wp7A
- active site: N163 (= N149), K186 (= K172), E262 (≠ L246), C296 (= C280), E393 (= E382), E470 (≠ A462)
- 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 (≠ R103), T122 (≠ N107), F164 (= F150), G287 (≠ A271), Y290 (≠ G274), C295 (≠ R279), I297 (≠ M281), G451 (≠ P441), V453 (≠ P443), A455 (= A445)
7um9A Human aldh1a1 with bound compound cm38 (see paper)
31% identity, 97% coverage: 7:486/497 of query aligns to 17:494/494 of 7um9A
- binding nicotinamide-adenine-dinucleotide: I159 (= I145), I160 (≠ T146), P161 (= P147), W162 (≠ F148), N163 (= N149), K186 (= K172), E189 (= E175), G219 (≠ K205), G223 (≠ D209), F237 (= F222), T238 (≠ V223), G239 (= G224), S240 (= S225), V243 (≠ I228), E262 (≠ L246), G264 (= G248), Q343 (≠ H328), K346 (= K331), E393 (= E382), F395 (= F384)
- binding (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone: W171 (= W157), H286 (≠ G270), Y290 (≠ G274), I297 (≠ M281), G451 (≠ P441)
Query Sequence
>AO356_07950 AO356_07950 methylmalonate-semialdehyde dehydrogenase
MSLIPHLINGERLSDSARTADVFNPSTGQAIHKVPLADRATIQQAIDAAKAAFPAWRNTP
AAKRAQVMFRFKQLLEQNEARIAQLISEEHGKTLEDAAGELKRGIENVEFACAAPEILKG
EYSRNVGPNIDAWSDFQPLGVVAGITPFNFPAMVPLWMYPLAIVCGNCFILKPSERDPSS
TLLIAQLLLEAGLPKGVLSVVHGDKAAVDALIEAPEVKALSFVGSTPIAEYIYAEGTRRG
KRVQALGGAKNHAVLMPDADLDNAVSALMGAAYGSCGERCMAISVAVCVGDQVADALVSK
LVPQIKALKIGAGTSCGLDMGPLVTGQHRDKVSGYIEEGVTAGASLIVDGRGLSVAGHEE
GFFLGGCLFDRVTPEMRIYKEEIFGPVLCIVRVNSLEEAMQLINDHEYGNGTCIFTRDGE
AARLFCDEIEVGMVGVNVPLPVPVAYHSFGGWKRSLFGDLHAYGPDGVRFYTRRKAITQR
WPQRASHEASQFAFPSL
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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