SitesBLAST
Comparing WP_012592396.1 NCBI__GCF_000021745.1:WP_012592396.1 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
39% identity, 97% coverage: 11:472/474 of query aligns to 19:489/491 of 5gtlA
- active site: N165 (= N150), K188 (= K173), E263 (= E246), C297 (= C280), E394 (= E377), E471 (= E454)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (= I146), P163 (= P148), K188 (= K173), A190 (≠ S175), E191 (≠ P176), Q192 (≠ Y177), G221 (= G204), G225 (= G208), G241 (= G224), S242 (= S225), T245 (= T228), L264 (= L247), C297 (= C280), E394 (= E377), F396 (= F379)
5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
39% identity, 97% coverage: 11:472/474 of query aligns to 19:489/491 of 5gtkA
- active site: N165 (= N150), K188 (= K173), E263 (= E246), C297 (= C280), E394 (= E377), E471 (= E454)
- binding nicotinamide-adenine-dinucleotide: I161 (= I146), I162 (≠ T147), P163 (= P148), W164 (= W149), K188 (= K173), E191 (≠ P176), G221 (= G204), G225 (= G208), A226 (≠ V209), F239 (= F222), G241 (= G224), S242 (= S225), T245 (= T228), Y248 (≠ K231), L264 (= L247), C297 (= C280), Q344 (= Q327), R347 (≠ K330), E394 (= E377), F396 (= F379)
4cazA Crystal structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa in complex with nadh
39% identity, 96% coverage: 18:471/474 of query aligns to 17:480/489 of 4cazA
- active site: N152 (= N150), K175 (= K173), E251 (= E246), C285 (= C280), E386 (= E377), E463 (= E454)
- binding [[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate: I148 (= I146), G149 (≠ T147), W151 (= W149), N152 (= N150), K175 (= K173), E178 (≠ P176), G208 (= G204), G212 (= G208), F226 (= F222), T227 (= T223), G228 (= G224), G229 (≠ S225), T232 (= T228), V236 (≠ I232), E251 (= E246), L252 (= L247), C285 (= C280), E386 (= E377), F388 (= F379)
2woxA Betaine aldehyde dehydrogenase from pseudomonas aeruginosa with NAD(p) h-catalytic thiol adduct. (see paper)
39% identity, 96% coverage: 18:471/474 of query aligns to 17:480/489 of 2woxA
- active site: N152 (= N150), K175 (= K173), E251 (= E246), C285 (= C280), E386 (= E377), E463 (= E454)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I148 (= I146), G149 (≠ T147), W151 (= W149), N152 (= N150), K175 (= K173), S177 (= S175), E178 (≠ P176), G208 (= G204), G212 (= G208), F226 (= F222), T227 (= T223), G228 (= G224), G229 (≠ S225), T232 (= T228), V236 (≠ I232), E251 (= E246), L252 (= L247), C285 (= C280), E386 (= E377), F388 (= F379)
2wmeA Crystallographic structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa (see paper)
39% identity, 96% coverage: 18:471/474 of query aligns to 17:480/489 of 2wmeA
- active site: N152 (= N150), K175 (= K173), E251 (= E246), C285 (= C280), E386 (= E377), E463 (= E454)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: G149 (≠ T147), W151 (= W149), K175 (= K173), S177 (= S175), E178 (≠ P176), G208 (= G204), G212 (= G208), F226 (= F222), G228 (= G224), G229 (≠ S225), T232 (= T228), V236 (≠ I232)
Q9HTJ1 NAD/NADP-dependent betaine aldehyde dehydrogenase; BADH; EC 1.2.1.8 from Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) (see 2 papers)
39% identity, 96% coverage: 18:471/474 of query aligns to 18:481/490 of Q9HTJ1
- GAWN 150:153 (≠ TPWN 147:150) binding NADPH
- K162 (= K159) active site, Charge relay system
- KPSE 176:179 (≠ KPSP 173:176) binding NADPH
- G209 (= G204) binding NADPH
- GTST 230:233 (≠ STET 225:228) binding NADPH
- E252 (= E246) active site, Proton acceptor
- C286 (= C280) binding covalent; modified: Cysteine sulfenic acid (-SOH)
- E387 (= E377) binding NADPH
- E464 (= E454) active site, Charge relay system
7a6qB Crystal structure of human aldehyde dehydrogenase 1a3 in complex with selective nr6 inhibitor compound (see paper)
38% identity, 96% coverage: 18:472/474 of query aligns to 25:488/489 of 7a6qB
- active site: N163 (= N150), E262 (= E246), C296 (= C280), E470 (= E454)
- binding nicotinamide-adenine-dinucleotide: I159 (= I146), W162 (= W149), K186 (= K173), E189 (≠ P176), G219 (= G204), G223 (= G208), S240 (= S225), V243 (≠ T228), K342 (≠ M326)
- binding (3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium: A32 (≠ E25), T33 (≠ A26), C34 (≠ F27), P36 (= P29), D103 (≠ E93), E189 (≠ P176), Q190 (≠ Y177), F218 (vs. gap), I339 (≠ Q323), D340 (≠ N324)
- binding 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile: G118 (= G100), D141 (≠ S128), N143 (≠ T130), N451 (≠ H435), L453 (≠ F437), A455 (≠ P439)
7a6qA Crystal structure of human aldehyde dehydrogenase 1a3 in complex with selective nr6 inhibitor compound (see paper)
38% identity, 96% coverage: 18:472/474 of query aligns to 25:488/489 of 7a6qA
- active site: N163 (= N150), E262 (= E246), C296 (= C280), E470 (= E454)
- binding nicotinamide-adenine-dinucleotide: I159 (= I146), T160 (= T147), W162 (= W149), K186 (= K173), A188 (≠ S175), E189 (≠ P176), G219 (= G204), G223 (= G208), S240 (= S225), V243 (≠ T228), K342 (≠ M326), K346 (= K330)
- binding 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile: G118 (= G100), D141 (≠ S128), N143 (≠ T130), N451 (≠ H435), L453 (≠ F437), Y454 (≠ S438)
5fhzA Human aldehyde dehydrogenase 1a3 complexed with NAD(+) and retinoic acid (see paper)
38% identity, 96% coverage: 18:472/474 of query aligns to 25:488/489 of 5fhzA
- active site: N163 (= N150), K186 (= K173), E262 (= E246), C296 (= C280), E393 (= E377), E470 (= E454)
- binding nicotinamide-adenine-dinucleotide: I159 (= I146), T160 (= T147), W162 (= W149), K186 (= K173), E189 (≠ P176), G219 (= G204), G223 (= G208), F237 (= F222), G239 (= G224), S240 (= S225), T241 (= T226), V243 (≠ T228), G264 (= G248), Q343 (= Q327), E393 (= E377)
- binding retinoic acid: G118 (= G100), R121 (≠ W103), F164 (= F151), M168 (≠ L155), W171 (= W158), C295 (≠ F279), C296 (= C280), L453 (≠ F437)
7qk9A Crystal structure of the aldh1a3-atp complex (see paper)
38% identity, 99% coverage: 6:472/474 of query aligns to 12:487/489 of 7qk9A
- binding adenosine-5'-triphosphate: I158 (= I146), T159 (= T147), P160 (= P148), W161 (= W149), K185 (= K173), E188 (≠ P176), G218 (= G204), G222 (= G208), F236 (= F222), S239 (= S225), V242 (≠ T228)
P47895 Retinaldehyde dehydrogenase 3; RALDH-3; RalDH3; Aldehyde dehydrogenase 6; Aldehyde dehydrogenase family 1 member A3; ALDH1A3; EC 1.2.1.36 from Homo sapiens (Human) (see 2 papers)
38% identity, 96% coverage: 18:471/474 of query aligns to 43:505/512 of P47895
- R89 (≠ S61) to C: in MCOP8; does not affect ALDH1A3 expression; results in strongly reduced protein levels; dbSNP:rs397514652
- K204 (= K173) binding NAD(+)
- E207 (≠ P176) binding NAD(+)
- GSTEVG 257:262 (≠ GSTETG 224:229) binding NAD(+)
- Q361 (= Q327) binding NAD(+)
- E411 (= E377) binding NAD(+)
- A493 (≠ G459) to P: in MCOP8; does not affect ALDH1A3 expression; results in strongly reduced protein levels; dbSNP:rs397514653
Sites not aligning to the query:
- 1 modified: Initiator methionine, Removed
- 2 modified: N-acetylalanine
4o6rA Crystal structure of a putative aldehyde dehydrogenase from burkholderia cenocepacia
38% identity, 97% coverage: 11:472/474 of query aligns to 6:478/489 of 4o6rA
- active site: N150 (= N150), K173 (= K173), E248 (= E246), C282 (= C280), E383 (= E377), E460 (= E454)
- binding adenosine monophosphate: I146 (= I146), V147 (≠ T147), K173 (= K173), G206 (= G204), G210 (= G208), Q211 (≠ V209), F224 (= F222), G226 (= G224), S227 (= S225), T230 (= T228), R233 (≠ K231)
8rwkA Cryoem structure of the central ald4 filament determined by filamentid (see paper)
38% identity, 94% coverage: 23:469/474 of query aligns to 37:489/495 of 8rwkA
O14293 Putative aldehyde dehydrogenase-like protein C9E9.09c; EC 1.2.1.- from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
39% identity, 95% coverage: 25:472/474 of query aligns to 41:496/503 of O14293
- S248 (= S225) modified: Phosphoserine
Sites not aligning to the query:
- 501 modified: Phosphoserine
5teiA Structure of human aldh1a1 with inhibitor cm039
39% identity, 96% coverage: 18:471/474 of query aligns to 24:486/493 of 5teiA
- active site: N162 (= N150), K185 (= K173), E261 (= E246), C295 (= C280), E392 (= E377), E469 (= E454)
- binding 6-{[(3-fluorophenyl)methyl]sulfanyl}-5-(2-methylphenyl)-2,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: S113 (≠ E104), F163 (= F151), H285 (≠ W270), G286 (≠ A271), Y289 (≠ Q274), C295 (= C280), G450 (≠ H435), V452 (≠ F437), F458 (= F443)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I146), I159 (≠ T147), P160 (= P148), W161 (= W149), N162 (= N150), K185 (= K173), E188 (≠ P176), G218 (= G204), G222 (= G208), A223 (≠ V209), F236 (= F222), T237 (= T223), G238 (= G224), S239 (= S225), V242 (≠ T228), C295 (= C280), Q342 (= Q327), K345 (= K330), E392 (= E377), F394 (= F379)
4x4lA Structure of human aldh1a1 with inhibitor cm037 (see paper)
39% identity, 96% coverage: 18:471/474 of query aligns to 24:486/493 of 4x4lA
- active site: N162 (= N150), K185 (= K173), E261 (= E246), C295 (= C280), E392 (= E377), E469 (= E454)
- binding ethyl ({4-oxo-3-[3-(pyrrolidin-1-yl)propyl]-3,4-dihydro[1]benzothieno[3,2-d]pyrimidin-2-yl}sulfanyl)acetate: S113 (≠ E104), M167 (≠ L155), W170 (= W158), Y289 (≠ Q274), G450 (≠ H435), F458 (= F443)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I158 (= I146), I159 (≠ T147), P160 (= P148), W161 (= W149), K185 (= K173), E188 (≠ P176), G218 (= G204), G222 (= G208), F236 (= F222), T237 (= T223), G238 (= G224), S239 (= S225), V242 (≠ T228), C295 (= C280), Q342 (= Q327), K345 (= K330), E392 (= E377), F394 (= F379)
3jz4A Crystal structure of e. Coli NADP dependent enzyme (see paper)
39% identity, 94% coverage: 28:471/474 of query aligns to 31:479/481 of 3jz4A
- active site: N156 (= N150), K179 (= K173), E254 (= E246), C288 (= C280), E385 (= E377), E462 (= E454)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: P154 (= P148), W155 (= W149), K179 (= K173), A181 (≠ S175), S182 (≠ P176), A212 (vs. gap), G216 (= G204), G232 (= G224), S233 (= S225), I236 (≠ T228), C288 (= C280), K338 (= K330), E385 (= E377), F387 (= F379)
8t0nA Structure of compound 4 bound to human aldh1a1 (see paper)
39% identity, 96% coverage: 18:471/474 of query aligns to 25:487/494 of 8t0nA
- binding nicotinamide-adenine-dinucleotide: I159 (= I146), I160 (≠ T147), P161 (= P148), W162 (= W149), N163 (= N150), K186 (= K173), E189 (≠ P176), G219 (= G204), G223 (= G208), A224 (≠ V209), F237 (= F222), T238 (= T223), G239 (= G224), S240 (= S225), V243 (≠ T228), E262 (= E246), G264 (= G248), C296 (= C280), Q343 (= Q327), K346 (= K330), E393 (= E377), F395 (= F379)
- binding 2-methoxy-6-{[(1-propyl-1H-benzimidazol-2-yl)amino]methyl}phenol: S114 (≠ E104), G118 (≠ S108), T122 (vs. gap), V167 (≠ L154), W171 (= W158), V453 (≠ F437), S454 (= S438), A455 (≠ P439)
7jwwA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
39% identity, 96% coverage: 18:471/474 of query aligns to 25:487/494 of 7jwwA
- active site: N163 (= N150), K186 (= K173), E262 (= E246), C296 (= C280), E393 (= E377), E470 (= E454)
- 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 (≠ S108), T122 (vs. gap), F164 (= F151), M168 (≠ L155), Y290 (≠ Q274), C295 (≠ F279), C296 (= C280), I297 (≠ V281), V453 (≠ F437), F459 (= F443)
7jwvA Crystal structure of human aldh1a1 bound to compound (r)-28 (see paper)
39% identity, 96% coverage: 18:471/474 of query aligns to 25:487/494 of 7jwvA
- active site: N163 (= N150), K186 (= K173), E262 (= E246), C296 (= C280), E393 (= E377), E470 (= E454)
- binding 5-[4-(hydroxymethyl)phenyl]-1-methyl-6-{[(1R)-1-phenylethyl]sulfanyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one: G118 (≠ S108), T122 (vs. gap), F164 (= F151), M168 (≠ L155), Y290 (≠ Q274), C295 (≠ F279), I297 (≠ V281), V453 (≠ F437), F459 (= F443)
Query Sequence
>WP_012592396.1 NCBI__GCF_000021745.1:WP_012592396.1
MSIDFFSNYTMSIDGAAAASAATFEAFNPATEEVIAAAPDASREQLEAAVAAAKRAFPAW
SARPIAERQALVARIGDLIEAHAEDFMRLLTREQGKPRKGAEWEIFGSAIWCREIAKQEL
PVHISEESQTRRVETRREPLGVIAGITPWNFPVLLAIWKIAPALVAGNTMVLKPSPYTPL
CTLKLGELVRELLPPGVLNIVSGGNELGVWMTTHSDIRKISFTGSTETGRKIMAAASGNI
KRITLELGGNDPAIVLPDVDVKETAEKLFWAAFQNSAQFCVAAKRLYIHADIYDDLAAEL
VAYAKTVKVGDGSLQGTDLGPIQNRMQFEKLKNLLADAKTNGLRFLLGGDVTDAKGFFVP
VTIIDNPPENSRVVAEEAFGPILPLLKFDDIDGVIARANDTEYGLAASVWGKDIKAARRV
AERIDAGTVWVNEVHTFSPHVAFGGHKQSGLGIENALEGLAEYTNAKTLVVNAA
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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