SitesBLAST
Comparing H281DRAFT_01202 FitnessBrowser__Burk376:H281DRAFT_01202 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)
48% identity, 95% coverage: 8:485/502 of query aligns to 3:481/489 of 4zz7A
- active site: N149 (= N155), K172 (= K178), L246 (≠ M252), C280 (= C286), E382 (= E386), A462 (≠ P466)
- binding nicotinamide-adenine-dinucleotide: T146 (= T152), P147 (= P153), F148 (= F154), N149 (= N155), K172 (= K178), E175 (= E181), K205 (= K211), V208 (= V214), F222 (= F228), V223 (= V229), G224 (= G230), S225 (= S231), I228 (≠ V234), L246 (≠ M252), G247 (≠ M253), C280 (= C286), E382 (= E386), F384 (= F388)
4iymC Crystal structure of putative methylmalonate-semialdehyde dehydrogenase from sinorhizobium meliloti 1021 complexed with NAD, target 011934
47% identity, 94% coverage: 12:485/502 of query aligns to 10:485/491 of 4iymC
- active site: N153 (= N155), K176 (= K178), F250 (≠ M252), C284 (= C286), E386 (= E386), Q466 (≠ P466)
- binding nicotinamide-adenine-dinucleotide: I149 (= I151), T150 (= T152), P151 (= P153), F152 (= F154), N153 (= N155), F154 (= F156), K176 (= K178), K209 (= K211), V212 (= V214), F226 (= F228), V227 (= V229), G228 (= G230), S229 (= S231), I232 (≠ V234), G251 (≠ M253), C284 (= C286), E386 (= E386), F388 (= F388)
1t90A Crystal structure of methylmalonate semialdehyde dehydrogenase from bacillus subtilis
47% identity, 95% coverage: 9:485/502 of query aligns to 5:479/484 of 1t90A
- active site: N151 (= N155), K174 (= K178), L248 (≠ M252), C282 (= C286), E380 (= E386), A460 (≠ P466)
- binding nicotinamide-adenine-dinucleotide: I147 (= I151), A148 (≠ T152), P149 (= P153), F150 (= F154), N151 (= N155), W159 (= W163), K174 (= K178), E177 (= E181), R178 (≠ Q182), H207 (≠ K211), V225 (= V229), G226 (= G230), S227 (= S231), V230 (= V234), L248 (≠ M252), T249 (≠ M253), C282 (= C286), E380 (= E386), F382 (= F388)
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: 9:485/502 of query aligns to 7:481/487 of P42412
- C36 (≠ A38) 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 (= R109) mutation to L: At least 50-fold decrease of the second-order rate constant for the acylation step.
- A150 (≠ T152) binding
- F152 (= F154) binding
- C160 (≠ L162) 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 (= K178) binding
- E179 (= E181) binding
- R180 (≠ Q182) binding
- S229 (= S231) binding
- T251 (≠ M253) binding
- R283 (= R285) mutation to L: At least 50-fold decrease of the second-order rate constant for the acylation step.
- C287 (≠ T289) 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 (≠ L352) 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 (= E386) binding
- C413 (≠ G417) mutation to A: No effect at either the structural or enzymatic levels; when associated with A-36; A-160; A-287 and A-351.
5tjrD X-ray crystal structure of a methylmalonate semialdehyde dehydrogenase from pseudomonas sp. Aac (see paper)
47% identity, 95% coverage: 9:485/502 of query aligns to 3:455/468 of 5tjrD
- active site: N144 (= N155), K167 (= K178), L241 (≠ M252), C270 (= C286), E356 (= E386), A436 (≠ P466)
- binding adenosine-5'-diphosphate: I140 (= I151), T141 (= T152), F143 (= F154), K167 (= K178), E170 (= E181), K200 (= K211), F217 (= F228), S220 (= S231), I223 (≠ V234)
1bpwA Betaine aldehyde dehydrogenase from cod liver (see paper)
34% identity, 94% coverage: 19:491/502 of query aligns to 33:502/503 of 1bpwA
- active site: N166 (= N155), K189 (= K178), E263 (≠ M252), C297 (= C286), E400 (= E386), E477 (≠ P466)
- binding nicotinamide-adenine-dinucleotide: I162 (= I151), L163 (≠ T152), W165 (≠ F154), N166 (= N155), K189 (= K178), G221 (= G210), G225 (≠ V214), T240 (≠ V229), G241 (= G230), S242 (= S231), T245 (≠ V234), E263 (≠ M252), L264 (≠ M253), C297 (= C286), E400 (= E386), F402 (= F388), F466 (= F450)
P56533 4-trimethylaminobutyraldehyde dehydrogenase; TMABA-DH; TMABADH; Aldehyde dehydrogenase family 9 member A1; Betaine aldehyde dehydrogenase; BADH; EC 1.2.1.47; EC 1.2.1.3 from Gadus morhua subsp. callarias (Baltic cod) (Gadus callarias) (see paper)
34% identity, 94% coverage: 19:491/502 of query aligns to 33:502/503 of P56533
5gtlA NADPH complex structure of aldehyde dehydrogenase from bacillus cereus
33% identity, 96% coverage: 1:481/502 of query aligns to 9:486/491 of 5gtlA
- active site: N165 (= N155), K188 (= K178), E263 (≠ M252), C297 (= C286), E394 (= E386), E471 (≠ D463)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (= I151), P163 (= P153), K188 (= K178), A190 (≠ S180), E191 (= E181), Q192 (= Q182), G221 (= G210), G225 (≠ V214), G241 (= G230), S242 (= S231), T245 (≠ V234), L264 (≠ M253), C297 (= C286), E394 (= E386), F396 (= F388)
5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
33% identity, 96% coverage: 1:481/502 of query aligns to 9:486/491 of 5gtkA
- active site: N165 (= N155), K188 (= K178), E263 (≠ M252), C297 (= C286), E394 (= E386), E471 (≠ D463)
- binding nicotinamide-adenine-dinucleotide: I161 (= I151), I162 (≠ T152), P163 (= P153), W164 (≠ F154), K188 (= K178), E191 (= E181), G221 (= G210), G225 (≠ V214), A226 (≠ D215), F239 (= F228), G241 (= G230), S242 (= S231), T245 (≠ V234), Y248 (≠ H237), L264 (≠ M253), C297 (= C286), Q344 (≠ A332), R347 (= R335), E394 (= E386), F396 (= F388)
6wsbA Crystal structure of a betaine aldehyde dehydrogenase from burkholderia pseudomallei bound to cofactor NAD (see paper)
33% identity, 94% coverage: 10:481/502 of query aligns to 7:477/489 of 6wsbA
- active site: N152 (= N155), E250 (≠ M252), C284 (= C286), E462 (≠ P466)
- binding nicotinamide-adenine-dinucleotide: I148 (= I151), G149 (≠ T152), A150 (≠ P153), W151 (≠ F154), N152 (= N155), K175 (= K178), E178 (= E181), G208 (≠ K211), G211 (≠ V214), A212 (≠ D215), F225 (= F228), T226 (≠ V229), G227 (= G230), G228 (≠ S231), T231 (≠ V234), V235 (= V238), E250 (≠ M252), L251 (≠ M253), G252 (= G254), C284 (= C286), E385 (= E386), F387 (= F388)
7um9A Human aldh1a1 with bound compound cm38 (see paper)
33% identity, 95% coverage: 10:484/502 of query aligns to 15:488/494 of 7um9A
- binding nicotinamide-adenine-dinucleotide: I159 (= I151), I160 (≠ T152), P161 (= P153), W162 (≠ F154), N163 (= N155), K186 (= K178), E189 (= E181), G219 (= G210), G223 (≠ V214), F237 (= F228), T238 (≠ V229), G239 (= G230), S240 (= S231), V243 (= V234), E262 (≠ M252), G264 (= G254), Q343 (≠ A332), K346 (≠ R335), E393 (= E386), F395 (= F388)
- binding (4-methylfuro[3,2-c]quinolin-2-yl)(piperidin-1-yl)methanone: W171 (= W163), H286 (≠ G276), Y290 (≠ G280), I297 (≠ M287), G451 (vs. gap)
5l2oA Crystal structure of aldh1a1 in complex with buc22 (see paper)
33% identity, 95% coverage: 10:484/502 of query aligns to 15:488/494 of 5l2oA
5l2nA Structure of aldh1a1 in complex with buc25 (see paper)
33% identity, 95% coverage: 10:484/502 of query aligns to 15:488/494 of 5l2nA
- active site: N163 (= N155), K186 (= K178), E262 (≠ M252), C296 (= C286), E393 (= E386), E470 (≠ D463)
- binding 3-benzyl-4-methyl-2-oxo-2H-1-benzopyran-7-yl methanesulfonate: F164 (= F156), M168 (≠ I160), W171 (= W163), H286 (≠ G276), G287 (≠ A277), Y290 (≠ G280), C295 (≠ R285), C296 (= C286), I297 (≠ M287), Y450 (≠ P443), G451 (vs. gap), V453 (≠ I444), F459 (= F450)
5l2mA Structure of aldh1a1 in complex with buc11 (see paper)
33% identity, 95% coverage: 10:484/502 of query aligns to 15:488/494 of 5l2mA
- active site: N163 (= N155), K186 (= K178), E262 (≠ M252), C296 (= C286), E393 (= E386), E470 (≠ D463)
- binding 2,3,5-trimethyl-6-[3-oxo-3-(piperidin-1-yl)propyl]-7H-furo[3,2-g][1]benzopyran-7-one: F164 (= F156), F283 (≠ A273), H286 (≠ G276), Y290 (≠ G280)
4wpnA Structure of human aldh1a1 with inhibitor cm053 (see paper)
33% identity, 95% coverage: 10:484/502 of query aligns to 15:488/494 of 4wpnA
- active site: N163 (= N155), K186 (= K178), E262 (≠ M252), C296 (= C286), E393 (= E386), E470 (≠ D463)
- 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 (= F156), H286 (≠ G276), G287 (≠ A277), Y290 (≠ G280), C295 (≠ R285), I297 (≠ M287), G451 (vs. gap), V453 (≠ I444)
5teiA Structure of human aldh1a1 with inhibitor cm039
33% identity, 95% coverage: 10:484/502 of query aligns to 14:487/493 of 5teiA
- active site: N162 (= N155), K185 (= K178), E261 (≠ M252), C295 (= C286), E392 (= E386), E469 (≠ D463)
- binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: S113 (≠ G105), F163 (= F156), H285 (≠ G276), G286 (≠ A277), Y289 (≠ G280), C295 (= C286), G450 (vs. gap), V452 (≠ I444), F458 (= F450)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I151), I159 (≠ T152), P160 (= P153), W161 (≠ F154), N162 (= N155), K185 (= K178), E188 (= E181), G218 (= G210), G222 (≠ V214), A223 (≠ D215), F236 (= F228), T237 (≠ V229), G238 (= G230), S239 (= S231), V242 (= V234), C295 (= C286), Q342 (≠ A332), K345 (≠ R335), E392 (= E386), F394 (= F388)
4x4lA Structure of human aldh1a1 with inhibitor cm037 (see paper)
33% identity, 95% coverage: 10:484/502 of query aligns to 14:487/493 of 4x4lA
- active site: N162 (= N155), K185 (= K178), E261 (≠ M252), C295 (= C286), E392 (= E386), E469 (≠ D463)
- binding ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate: S113 (≠ G105), M167 (≠ I160), W170 (= W163), Y289 (≠ G280), G450 (vs. gap), F458 (= F450)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I151), I159 (≠ T152), P160 (= P153), W161 (≠ F154), K185 (= K178), E188 (= E181), G218 (= G210), G222 (≠ V214), F236 (= F228), T237 (≠ V229), G238 (= G230), S239 (= S231), V242 (= V234), C295 (= C286), Q342 (≠ A332), K345 (≠ R335), E392 (= E386), F394 (= F388)
7jwwA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
33% identity, 95% coverage: 10:484/502 of query aligns to 15:488/494 of 7jwwA
- active site: N163 (= N155), K186 (= K178), E262 (≠ M252), C296 (= C286), E393 (= E386), E470 (≠ D463)
- 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 (≠ R109), T122 (≠ V113), F164 (= F156), M168 (≠ I160), Y290 (≠ G280), C295 (≠ R285), C296 (= C286), I297 (≠ M287), V453 (≠ I444), F459 (= F450)
7jwvA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
33% identity, 95% coverage: 10:484/502 of query aligns to 15:488/494 of 7jwvA
- active site: N163 (= N155), K186 (= K178), E262 (≠ M252), C296 (= C286), E393 (= E386), E470 (≠ D463)
- binding 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ R109), T122 (≠ V113), F164 (= F156), M168 (≠ I160), Y290 (≠ G280), C295 (≠ R285), I297 (≠ M287), V453 (≠ I444), F459 (= F450)
7jwuA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
33% identity, 95% coverage: 10:484/502 of query aligns to 15:488/494 of 7jwuA
- active site: N163 (= N155), K186 (= K178), E262 (≠ M252), C296 (= C286), E393 (= E386), E470 (≠ D463)
- binding nicotinamide-adenine-dinucleotide: I159 (= I151), I160 (≠ T152), P161 (= P153), W162 (≠ F154), N163 (= N155), K186 (= K178), E189 (= E181), G219 (= G210), G223 (≠ V214), A224 (≠ D215), F237 (= F228), T238 (≠ V229), G239 (= G230), S240 (= S231), V243 (= V234), L263 (≠ M253), C296 (= C286), Q343 (≠ A332), K346 (≠ R335), E393 (= E386), F395 (= F388)
- 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 (≠ V113), F164 (= F156), W171 (= W163), Y290 (≠ G280), C295 (≠ R285), I297 (≠ M287), V453 (≠ I444), F459 (= F450)
Query Sequence
>H281DRAFT_01202 FitnessBrowser__Burk376:H281DRAFT_01202
MSAIASNTVKLLINGEFVDSRTTEWRDVVNPATQQVLARVPFATAGEVDEAIRSAHAAFK
TWKDTPIGARMRIMLKYQALIREHMPRIAKTLSAEQGKTIPDAEGDIFRGLEVVEHACSI
GSLQQGEFAENVAGGVDTYTLRQPLGVCAGITPFNFPAMIPLWMFPMAIVCGNTFVLKPS
EQDPMSTMQLVELALEAGVPKGVLNVVHGGKDVVDALCTHELVKAVSFVGSTAVGTHVYR
LGSEHGKRVQSMMGAKNHAVVLPDANREQTLNALAGAGFGAAGQRCMATSVVVLVGAAQQ
WLPEIVAKAKTLKVNAGNEPNTDIGPVVSRAAKERILGLIEAGVKEGATLALDGRDVTVP
GYEQGNFIGPTIFSDVSTEMEIYRTEIFGPVLLVLNAATLDDAIALVNSNPFGNGVGLFT
QSGAAARKFQSEIDVGQVGINIPIPVPVPFFSFTGSRGSKLGDLGPYGKQVVQFYTQTKT
VTARWFDDDTVNDGVNTTISLR
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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