SitesBLAST
Comparing WP_013076291.1 NCBI__GCF_000092905.1:WP_013076291.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.
Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures
Found 20 (the maximum) hits to proteins with known functional sites (download)
5gtlA NADPH complex structure of aldehyde dehydrogenase from bacillus cereus
53% identity, 97% coverage: 14:489/489 of query aligns to 18:491/491 of 5gtlA
- active site: N165 (= N161), K188 (= K184), E263 (= E259), C297 (= C293), E394 (= E392), E471 (= E469)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (= I157), P163 (= P159), K188 (= K184), A190 (= A186), E191 (= E187), Q192 (≠ E188), G221 (= G217), G225 (= G221), G241 (= G237), S242 (= S238), T245 (≠ V241), L264 (= L260), C297 (= C293), E394 (= E392), F396 (= F394)
5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
53% identity, 97% coverage: 14:489/489 of query aligns to 18:491/491 of 5gtkA
- active site: N165 (= N161), K188 (= K184), E263 (= E259), C297 (= C293), E394 (= E392), E471 (= E469)
- binding nicotinamide-adenine-dinucleotide: I161 (= I157), I162 (≠ V158), P163 (= P159), W164 (= W160), K188 (= K184), E191 (= E187), G221 (= G217), G225 (= G221), A226 (= A222), F239 (= F235), G241 (= G237), S242 (= S238), T245 (≠ V241), Y248 (≠ Q244), L264 (= L260), C297 (= C293), Q344 (≠ H340), R347 (= R343), E394 (= E392), F396 (= F394)
5l13A Structure of aldh2 in complex with 2p3 (see paper)
51% identity, 97% coverage: 11:484/489 of query aligns to 12:485/494 of 5l13A
- active site: N163 (= N161), K186 (= K184), E262 (= E259), C296 (= C293), E393 (= E392), E470 (= E469)
- binding 2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one: F164 (= F162), M168 (= M166), W171 (≠ I169), F290 (≠ Y287), C295 (≠ V292), C296 (= C293), C297 (≠ L294), D451 (≠ N450), F453 (≠ L452)
4kwgA Crystal structure analysis of aldh2+aldib13 (see paper)
51% identity, 97% coverage: 11:484/489 of query aligns to 12:485/494 of 4kwgA
- active site: N163 (= N161), K186 (= K184), E262 (= E259), C296 (= C293), E393 (= E392), E470 (= E469)
- binding 7-bromo-5-methyl-1H-indole-2,3-dione: F164 (= F162), M168 (= M166), C295 (≠ V292), C296 (= C293), C297 (≠ L294), D451 (≠ N450), F453 (≠ L452)
4kwfA Crystal structure analysis of aldh2+aldib33 (see paper)
51% identity, 97% coverage: 11:484/489 of query aligns to 12:485/494 of 4kwfA
- active site: N163 (= N161), K186 (= K184), E262 (= E259), C296 (= C293), E393 (= E392), E470 (= E469)
- binding 1-benzyl-1H-indole-2,3-dione: F164 (= F162), M168 (= M166), W171 (≠ I169), E262 (= E259), C295 (≠ V292), C296 (= C293), C297 (≠ L294), D451 (≠ N450), F453 (≠ L452), F459 (= F458)
3sz9A Crystal structure of human aldh2 modified with the beta-elimination product of aldi-3; 1-(4-ethylbenzene)prop-2-en-1-one (see paper)
51% identity, 97% coverage: 11:484/489 of query aligns to 12:485/494 of 3sz9A
- active site: N163 (= N161), K186 (= K184), E262 (= E259), C296 (= C293), E393 (= E392), E470 (= E469)
- binding 1-(4-ethylphenyl)propan-1-one: F164 (= F162), C295 (≠ V292), C296 (= C293), D451 (≠ N450), F453 (≠ L452), F459 (= F458)
3injA Human mitochondrial aldehyde dehydrogenase complexed with agonist alda-1 (see paper)
51% identity, 97% coverage: 11:484/489 of query aligns to 12:485/494 of 3injA
- active site: N163 (= N161), K186 (= K184), E262 (= E259), C296 (= C293), E393 (= E392), E470 (= E469)
- binding N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide: M118 (≠ L116), F164 (= F162), L167 (≠ Y165), F286 (≠ S283), F290 (≠ Y287), D451 (≠ N450), F453 (≠ L452)
2vleA The structure of daidzin, a naturally occurring anti alcohol- addiction agent, in complex with human mitochondrial aldehyde dehydrogenase (see paper)
51% identity, 97% coverage: 11:484/489 of query aligns to 12:485/494 of 2vleA
- active site: N163 (= N161), K186 (= K184), E262 (= E259), C296 (= C293), E393 (= E392), E470 (= E469)
- binding daidzin: M118 (≠ L116), F164 (= F162), M168 (= M166), W171 (≠ I169), F286 (≠ S283), F290 (≠ Y287), C295 (≠ V292), C296 (= C293), D451 (≠ N450), V452 (≠ L451), F453 (≠ L452)
1o01B Human mitochondrial aldehyde dehydrogenase complexed with crotonaldehyde, NAD(h) and mg2+ (see paper)
51% identity, 97% coverage: 11:484/489 of query aligns to 12:485/494 of 1o01B
- active site: N163 (= N161), K186 (= K184), E262 (= E259), C296 (= C293), E393 (= E392), E470 (= E469)
- binding (2e)-but-2-enal: C296 (= C293), C297 (≠ L294), F453 (≠ L452)
- binding nicotinamide-adenine-dinucleotide: I159 (= I157), I160 (≠ V158), P161 (= P159), W162 (= W160), K186 (= K184), E189 (= E187), G219 (= G217), G223 (= G221), A224 (= A222), F237 (= F235), G239 (= G237), S240 (= S238), I243 (≠ V241), L263 (= L260), G264 (= G261), C296 (= C293), Q343 (≠ H340), E393 (= E392), F395 (= F394)
1cw3A Human mitochondrial aldehyde dehydrogenase complexed with NAD+ and mn2+ (see paper)
51% identity, 97% coverage: 11:484/489 of query aligns to 12:485/494 of 1cw3A
- active site: N163 (= N161), K186 (= K184), E262 (= E259), C296 (= C293), E393 (= E392), E470 (= E469)
- binding magnesium ion: V34 (= V33), D103 (= D101), Q190 (≠ E188)
- binding nicotinamide-adenine-dinucleotide: I159 (= I157), I160 (≠ V158), P161 (= P159), W162 (= W160), K186 (= K184), G219 (= G217), G223 (= G221), A224 (= A222), F237 (= F235), G239 (= G237), S240 (= S238), I243 (≠ V241), L263 (= L260), G264 (= G261), C296 (= C293), Q343 (≠ H340), K346 (≠ R343), E393 (= E392), F395 (= F394)
4fr8A Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin (see paper)
50% identity, 97% coverage: 11:484/489 of query aligns to 11:484/493 of 4fr8A
- active site: N162 (= N161), K185 (= K184), Q261 (≠ E259), C295 (= C293), E392 (= E392), E469 (= E469)
- binding nicotinamide-adenine-dinucleotide: I158 (= I157), I159 (≠ V158), W161 (= W160), K185 (= K184), G218 (= G217), G222 (= G221), A223 (= A222), F236 (= F235), G238 (= G237), S239 (= S238), I242 (≠ V241), Q342 (≠ H340), K345 (≠ R343), E392 (= E392), F394 (= F394)
- binding propane-1,2,3-triyl trinitrate: F163 (= F162), L166 (≠ Y165), W170 (≠ I169), F289 (≠ Y287), S294 (≠ V292), C295 (= C293), D450 (≠ N450), F452 (≠ L452)
4fr8C Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin (see paper)
50% identity, 97% coverage: 11:484/489 of query aligns to 14:487/496 of 4fr8C
- active site: N165 (= N161), K188 (= K184), Q264 (≠ E259), C298 (= C293), E395 (= E392), E472 (= E469)
- binding nicotinamide-adenine-dinucleotide: I161 (= I157), I162 (≠ V158), W164 (= W160), K188 (= K184), G221 (= G217), G225 (= G221), A226 (= A222), F239 (= F235), G241 (= G237), S242 (= S238), I245 (≠ V241), Q345 (≠ H340), E395 (= E392), F397 (= F394)
1nzwA Cys302ser mutant of human mitochondrial aldehyde dehydrogenase complexed with nadh and mg2+ (see paper)
50% identity, 97% coverage: 11:484/489 of query aligns to 12:485/494 of 1nzwA
- active site: N163 (= N161), K186 (= K184), E262 (= E259), S296 (≠ C293), E393 (= E392), E470 (= E469)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I159 (= I157), I160 (≠ V158), P161 (= P159), K186 (= K184), E189 (= E187), G219 (= G217), P220 (≠ E218), G223 (= G221), A224 (= A222), F237 (= F235), G239 (= G237), S240 (= S238), I243 (≠ V241), E262 (= E259), G264 (= G261), S296 (≠ C293), Q343 (≠ H340), E393 (= E392), F395 (= F394)
4pxlA Structure of zm aldh2-3 (rf2c) in complex with NAD (see paper)
50% identity, 97% coverage: 14:488/489 of query aligns to 7:480/486 of 4pxlA
- active site: N154 (= N161), K177 (= K184), E253 (= E259), C287 (= C293), E384 (= E392), D461 (≠ E469)
- binding nicotinamide-adenine-dinucleotide: I150 (= I157), V151 (= V158), P152 (= P159), W153 (= W160), K177 (= K184), E180 (= E187), G210 (= G217), G214 (= G221), A215 (= A222), F228 (= F235), G230 (= G237), S231 (= S238), V234 (= V241), E253 (= E259), G255 (= G261), C287 (= C293), Q334 (≠ H340), K337 (≠ R343), E384 (= E392), F386 (= F394)
P20000 Aldehyde dehydrogenase, mitochondrial; ALDH class 2; ALDH-E2; ALDHI; EC 1.2.1.3 from Bos taurus (Bovine) (see 2 papers)
50% identity, 97% coverage: 13:484/489 of query aligns to 40:511/520 of P20000
Sites not aligning to the query:
- 1:21 modified: transit peptide, Mitochondrion
2onmA Human mitochondrial aldehyde dehydrogenase asian variant, aldh2 2, Complexed with NAD+ (see paper)
50% identity, 96% coverage: 11:478/489 of query aligns to 12:479/494 of 2onmA
- active site: N163 (= N161), K186 (= K184), E262 (= E259), C296 (= C293), E393 (= E392), E470 (= E469)
- binding adenosine-5'-diphosphate: E189 (= E187), G219 (= G217), G223 (= G221), A224 (= A222), F237 (= F235), G239 (= G237), S240 (= S238), I243 (≠ V241)
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)
49% identity, 96% coverage: 14:484/489 of query aligns to 39:509/518 of O94788
- E50 (≠ A25) to G: in dbSNP:rs34266719
- A110 (= A84) to V: in dbSNP:rs35365164
- Q182 (= Q156) to K: in DIH4; decreased retinoic acid biosynthetic process
- IPW 184:186 (≠ VPW 158:160) binding NAD(+)
- KPAE 210:213 (= KPAE 184:187) binding NAD(+)
- STE 264:266 (≠ STA 238:240) binding NAD(+)
- C320 (= C293) active site, Nucleophile
- R347 (≠ V320) to H: in DIH4; decreased expression; dbSNP:rs141245344
- V348 (≠ T321) to I: in dbSNP:rs4646626
- KQYNK 366:370 (≠ EHRQR 339:343) binding NAD(+)
- A383 (= A356) to T: in DIH4; uncertain significance; dbSNP:rs749124508
- E417 (= E392) binding NAD(+)
- E436 (≠ R411) to K: in dbSNP:rs34744827
- S461 (≠ A436) 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)
49% identity, 96% coverage: 14:484/489 of query aligns to 13:483/492 of 6b5hA
- active site: N161 (= N161), E260 (= E259), C294 (= C293), E468 (= E469)
- binding 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide: V112 (= V112), G116 (≠ L116), F162 (= F162), W169 (≠ I169), Q284 (≠ S283), F288 (≠ Y287), T295 (≠ L294), N449 (= N450), L451 (= L452), N452 (≠ D453), F457 (= F458)
- binding nicotinamide-adenine-dinucleotide: I157 (= I157), I158 (≠ V158), W160 (= W160), N161 (= N161), K184 (= K184), G217 (= G217), G221 (= G221), F235 (= F235), T236 (= T236), G237 (= G237), S238 (= S238), V241 (= V241), E260 (= E259), L261 (= L260), C294 (= C293), F393 (= F394)
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)
49% identity, 96% coverage: 14:484/489 of query aligns to 13:483/492 of 6b5gA
- active site: N161 (= N161), E260 (= E259), C294 (= C293), E468 (= E469)
- binding (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone: F162 (= F162), L165 (≠ Y165), W169 (≠ I169), F288 (≠ Y287), C293 (≠ V292), C294 (= C293), T295 (≠ L294), N449 (= N450), L451 (= L452)
- binding nicotinamide-adenine-dinucleotide: I157 (= I157), I158 (≠ V158), P159 (= P159), W160 (= W160), N161 (= N161), M166 (= M166), K184 (= K184), E187 (= E187), G217 (= G217), G221 (= G221), F235 (= F235), T236 (= T236), G237 (= G237), S238 (= S238), V241 (= V241), E260 (= E259), L261 (= L260), C294 (= C293), E391 (= E392), F393 (= F394)
6aljA Aldh1a2 liganded with NAD and compound win18,446 (see paper)
49% identity, 96% coverage: 14:484/489 of query aligns to 13:483/492 of 6aljA
- active site: N161 (= N161), E260 (= E259), C294 (= C293), E468 (= E469)
- binding N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide): G116 (≠ L116), F162 (= F162), L165 (≠ Y165), M166 (= M166), W169 (≠ I169), E260 (= E259), C293 (≠ V292), C294 (= C293), L451 (= L452), N452 (≠ D453), A453 (= A454)
- binding nicotinamide-adenine-dinucleotide: I157 (= I157), I158 (≠ V158), P159 (= P159), W160 (= W160), N161 (= N161), K184 (= K184), E187 (= E187), G217 (= G217), G221 (= G221), F235 (= F235), G237 (= G237), S238 (= S238), V241 (= V241), Q341 (≠ H340), K344 (≠ R343), E391 (= E392), F393 (= F394)
Query Sequence
>WP_013076291.1 NCBI__GCF_000092905.1:WP_013076291.1
MNVLRIEDISFPKQLFIDGGFVDSAGGETFPVVYPATGEEICRVPWARQGDVDRAVRAAR
RVVDEGRWAGMNPHDRERLLHRVADLIEAHADTLALLETYDTGKPIRDAQAVDIPLTIQC
FRYYAGWPSKLKGETIPVRGRFLTYTMREPVGVVGQIVPWNFPLYMAAIKVAPALATGNA
VVLKPAEETPLSALYLAQLMAEAGVPEGVFNVVTGDGETTGAALVAHPGVDKIAFTGSTA
VGQQIMRQAATHIKRVSLELGGKSPHIVFSDADLPAAVKGIVSGIFYNQGEVCLAGSRIF
VQKPVYEEVLEQLSTAARKVTIGDPFDSGTTFGALISEEHRQRVQHYVGVGIREGARVIE
GGRIPEKHSKGYFYEPTVLVGEDNQMTVAQEEIFGPVALVLPFETTEEVIRSANATKYGL
AAGLWTQNVSRAHNVAKALKAGTVWINAYNLLDAAAPFGGYKMSGFGRELGEEALDLYTE
LKTVWTSLR
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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