SitesBLAST
Comparing BPHYT_RS24140 BPHYT_RS24140 2,5-dioxovalerate dehydrogenase 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)
1eyyA Crystal structure of the NADP+ dependent aldehyde dehydrogenase from vibrio harveyi. (see paper)
47% identity, 88% coverage: 59:523/527 of query aligns to 42:502/504 of 1eyyA
4f3xA Crystal structure of putative aldehyde dehydrogenase from sinorhizobium meliloti 1021 complexed with NAD
26% identity, 88% coverage: 6:469/527 of query aligns to 5:447/476 of 4f3xA
- active site: N150 (= N160), K173 (= K185), E247 (= E266), C281 (= C303), E379 (= E394)
- binding nicotinamide-adenine-dinucleotide: I146 (≠ F156), A147 (≠ G157), P148 (≠ A158), W149 (≠ S159), K173 (= K185), E176 (≠ R188), G205 (= G222), G209 (= G226), I213 (≠ V230), I223 (≠ F240), G225 (= G242), D226 (≠ S243), T229 (≠ G246), G249 (≠ S268), C281 (= C303), Q328 (≠ G357), R331 (≠ A360), E379 (= E394), F381 (= F396)
Sites not aligning to the query:
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)
26% identity, 83% coverage: 19:455/527 of query aligns to 47:468/512 of P47895
- R89 (= R60) to C: in MCOP8; does not affect ALDH1A3 expression; results in strongly reduced protein levels; dbSNP:rs397514652
- K204 (= K185) binding
- E207 (≠ R188) binding
- GSTEVG 257:262 (≠ GSRAGG 242:247) binding
- Q361 (≠ E347) binding
- E411 (= E394) binding
Sites not aligning to the query:
- 1 modified: Initiator methionine, Removed
- 2 modified: N-acetylalanine
- 493 A → P: in MCOP8; does not affect ALDH1A3 expression; results in strongly reduced protein levels; dbSNP:rs397514653
5ur2B Crystal structure of proline utilization a (puta) from bdellovibrio bacteriovorus inactivated by n-propargylglycine (see paper)
25% identity, 84% coverage: 55:495/527 of query aligns to 521:945/959 of 5ur2B
Sites not aligning to the query:
- binding N-propargylglycine-modified flavin adenine dinucleotide: 174, 215, 216, 249, 278, 279, 280, 281, 283, 300, 301, 302, 303, 306, 329, 330, 331, 332, 356, 357, 358, 379, 398, 403, 405
7qk9A Crystal structure of the aldh1a3-atp complex (see paper)
26% identity, 83% coverage: 19:455/527 of query aligns to 28:449/489 of 7qk9A
- binding adenosine-5'-triphosphate: I158 (≠ F156), T159 (≠ G157), P160 (≠ A158), W161 (≠ S159), K185 (= K185), E188 (≠ R188), G218 (= G222), G222 (= G226), F236 (= F240), S239 (= S243), V242 (≠ G246)
7a6qB Crystal structure of human aldehyde dehydrogenase 1a3 in complex with selective nr6 inhibitor compound (see paper)
26% identity, 83% coverage: 19:455/527 of query aligns to 29:450/489 of 7a6qB
- active site: N163 (= N160), E262 (= E266), C296 (= C303)
- binding nicotinamide-adenine-dinucleotide: I159 (≠ F156), W162 (≠ S159), K186 (= K185), E189 (≠ R188), G219 (= G222), G223 (= G226), S240 (= S243), V243 (≠ G246), K342 (≠ E346)
- binding (3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium: A32 (≠ H22), T33 (≠ A23), C34 (≠ F24), P36 (= P26), D103 (≠ T107), E189 (≠ R188), Q190 (≠ A189), F218 (≠ A221), I339 (≠ A343), D340 (≠ A344)
- binding 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile: G118 (≠ Q116), D141 (≠ S141), N143 (vs. gap)
Sites not aligning to the query:
7a6qA Crystal structure of human aldehyde dehydrogenase 1a3 in complex with selective nr6 inhibitor compound (see paper)
26% identity, 83% coverage: 19:455/527 of query aligns to 29:450/489 of 7a6qA
- active site: N163 (= N160), E262 (= E266), C296 (= C303)
- binding nicotinamide-adenine-dinucleotide: I159 (≠ F156), T160 (≠ G157), W162 (≠ S159), K186 (= K185), A188 (≠ H187), E189 (≠ R188), G219 (= G222), G223 (= G226), S240 (= S243), V243 (≠ G246), K342 (≠ E346), K346 (≠ G350)
- binding 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile: G118 (≠ Q116), D141 (≠ S141), N143 (vs. gap)
Sites not aligning to the query:
5fhzA Human aldehyde dehydrogenase 1a3 complexed with NAD(+) and retinoic acid (see paper)
26% identity, 83% coverage: 19:455/527 of query aligns to 29:450/489 of 5fhzA
- active site: N163 (= N160), K186 (= K185), E262 (= E266), C296 (= C303), E393 (= E394)
- binding nicotinamide-adenine-dinucleotide: I159 (≠ F156), T160 (≠ G157), W162 (≠ S159), K186 (= K185), E189 (≠ R188), G219 (= G222), G223 (= G226), F237 (= F240), G239 (= G242), S240 (= S243), T241 (≠ R244), V243 (≠ G246), G264 (≠ S268), Q343 (≠ E347), E393 (= E394)
- binding retinoic acid: G118 (≠ Q116), R121 (= R119), F164 (= F161), M168 (≠ F165), W171 (≠ G170), C295 (≠ F302), C296 (= C303)
Sites not aligning to the query:
3ty7B Crystal structure of aldehyde dehydrogenase family protein from staphylococcus aureus
25% identity, 78% coverage: 4:415/527 of query aligns to 6:401/454 of 3ty7B
4cazA Crystal structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa in complex with nadh
27% identity, 61% coverage: 134:455/527 of query aligns to 125:443/489 of 4cazA
- active site: N152 (= N160), K175 (= K185), E251 (= E266), C285 (= C303), E386 (= E394)
- 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 (≠ F156), G149 (= G157), W151 (≠ S159), N152 (= N160), K175 (= K185), E178 (≠ R188), G208 (= G222), G212 (= G226), F226 (= F240), T227 (= T241), G228 (= G242), G229 (≠ S243), T232 (≠ G246), V236 (≠ L250), E251 (= E266), L252 (≠ M267), C285 (= C303), E386 (= E394), F388 (= F396)
Sites not aligning to the query:
2woxA Betaine aldehyde dehydrogenase from pseudomonas aeruginosa with NAD(p) h-catalytic thiol adduct. (see paper)
27% identity, 61% coverage: 134:455/527 of query aligns to 125:443/489 of 2woxA
- active site: N152 (= N160), K175 (= K185), E251 (= E266), C285 (= C303), E386 (= E394)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I148 (≠ F156), G149 (= G157), W151 (≠ S159), N152 (= N160), K175 (= K185), S177 (≠ H187), E178 (≠ R188), G208 (= G222), G212 (= G226), F226 (= F240), T227 (= T241), G228 (= G242), G229 (≠ S243), T232 (≠ G246), V236 (≠ L250), E251 (= E266), L252 (≠ M267), C285 (= C303), E386 (= E394), F388 (= F396)
Sites not aligning to the query:
2wmeA Crystallographic structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa (see paper)
27% identity, 61% coverage: 134:455/527 of query aligns to 125:443/489 of 2wmeA
- active site: N152 (= N160), K175 (= K185), E251 (= E266), C285 (= C303), E386 (= E394)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: G149 (= G157), W151 (≠ S159), K175 (= K185), S177 (≠ H187), E178 (≠ R188), G208 (= G222), G212 (= G226), F226 (= F240), G228 (= G242), G229 (≠ S243), T232 (≠ G246), V236 (≠ L250)
Sites not aligning to the query:
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)
27% identity, 61% coverage: 134:455/527 of query aligns to 126:444/490 of Q9HTJ1
- GAWN 150:153 (≠ GASN 157:160) binding
- K162 (≠ D171) active site, Charge relay system
- KPSE 176:179 (≠ KAHR 185:188) binding
- G209 (= G222) binding
- GTST 230:233 (≠ SRAG 243:246) binding
- E252 (= E266) active site, Proton acceptor
- C286 (= C303) binding covalent; modified: Cysteine sulfenic acid (-SOH)
- E387 (= E394) binding
Sites not aligning to the query:
- 464 active site, Charge relay system
Q84LK3 Betaine aldehyde dehydrogenase 2; OsBADH2; EC 1.2.1.8 from Oryza sativa subsp. japonica (Rice) (see paper)
26% identity, 82% coverage: 21:453/527 of query aligns to 25:448/503 of Q84LK3
- N162 (= N160) mutation to A: Slightly reduced affinity for NAD, 4-fold enhanced affinity for betaine aldehyde (Bet-ald), but 3-fold reduction in gamma-4-aminobutyraldehyde (GAB-ald) affinity and reduced catalytic efficiency (2-fold for Bet-ald and 8-fold for GAB-ald).
- W170 (≠ G170) mutation to A: Slightly reduced affinity for NAD, 4-fold enhanced affinity for betaine aldehyde (Bet-ald), but 2-fold reduction in gamma-4-aminobutyraldehyde (GAB-ald) affinity and reduced catalytic efficiency (2.5-fold for Bet-ald and 6-fold for GAB-ald).; mutation to F: Slightly reduced affinity for NAD, 5-fold enhanced affinity for betaine aldehyde (Bet-ald), but 3-fold reduction in gamma-4-aminobutyraldehyde (GAB-ald) affinity and 1.5-fold increase in catalytic efficiency towards gamma-aminobutyraldehyde (GAB-ald).
6tryA Crystal structure of human aldehyde dehydrogenase 1a3 in complex with mf13 inhibitor compound (see paper)
26% identity, 83% coverage: 19:455/527 of query aligns to 22:438/478 of 6tryA
- active site: N156 (= N160), E255 (= E266), C289 (= C303)
- binding nicotinamide-adenine-dinucleotide: I152 (≠ F156), T153 (≠ G157), W155 (≠ S159), K179 (= K185), A181 (≠ H187), E182 (≠ R188), G212 (= G222), G216 (= G226), A217 (≠ E227), F230 (= F240), G232 (= G242), S233 (= S243), V236 (≠ G246), K335 (≠ E346)
- binding 8-(4-chlorophenyl)-2-phenyl-imidazo[1,2-a]pyridine: I107 (vs. gap), G111 (≠ Q116), T115 (≠ A120), L160 (≠ A164), C288 (≠ F302)
Sites not aligning to the query:
6te5B Crystal structure of human aldehyde dehydrogenase 1a3 in complex with lq43 inhibitor compound (see paper)
26% identity, 83% coverage: 19:455/527 of query aligns to 23:439/479 of 6te5B
- active site: N157 (= N160), E256 (= E266), C290 (= C303)
- binding 6-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine: E111 (vs. gap), G112 (≠ Q116), T116 (≠ A120)
- binding nicotinamide-adenine-dinucleotide: I153 (≠ F156), T154 (≠ G157), W156 (≠ S159), K180 (= K185), E183 (≠ R188), G213 (= G222), F231 (= F240), S234 (= S243), V237 (≠ G246), Q337 (≠ E347), K340 (≠ G350)
Sites not aligning to the query:
2d4eC Crystal structure of the hpcc from thermus thermophilus hb8
26% identity, 82% coverage: 23:453/527 of query aligns to 46:464/515 of 2d4eC
- active site: N173 (= N160), K196 (= K185), E271 (= E266), C305 (= C303), E409 (= E394)
- binding nicotinamide-adenine-dinucleotide: I169 (≠ F156), T170 (≠ G157), P171 (≠ A158), W172 (≠ S159), K196 (= K185), A198 (≠ H187), G229 (= G222), G233 (= G226), A234 (≠ E227), T248 (= T241), G249 (= G242), E250 (≠ S243), T253 (≠ G246), E271 (= E266), L272 (≠ M267), C305 (= C303), E409 (= E394), F411 (= F396)
Sites not aligning to the query:
P77674 Gamma-aminobutyraldehyde dehydrogenase; ABALDH; 1-pyrroline dehydrogenase; 4-aminobutanal dehydrogenase; 5-aminopentanal dehydrogenase; EC 1.2.1.19; EC 1.2.1.- from Escherichia coli (strain K12) (see paper)
27% identity, 89% coverage: 1:469/527 of query aligns to 5:446/474 of P77674
1wndA Escherichia coli ydcw gene product is a medium-chain aldehyde dehydrogenase as determined by kinetics and crystal structure (see paper)
27% identity, 89% coverage: 1:469/527 of query aligns to 5:446/474 of 1wndA
- active site: N149 (= N160), K172 (= K185), E246 (= E266), C280 (= C303), E378 (= E394)
- binding calcium ion: G249 (≠ S269), K250 (≠ I270), A251 (≠ N271), G405 (≠ T423), L406 (≠ A424), A407 (≠ T425), Y427 (≠ R445)
Sites not aligning to the query:
1wnbB Escherichia coli ydcw gene product is a medium-chain aldehyde dehydrogenase (complexed with nadh and betaine aldehyde) (see paper)
27% identity, 89% coverage: 1:469/527 of query aligns to 5:446/474 of 1wnbB
- active site: N149 (= N160), K172 (= K185), E246 (= E266), C280 (= C303), E378 (= E394)
- binding betaine aldehyde: D279 (≠ F302), F436 (≠ V459), L438 (≠ V461)
- binding 1,4-dihydronicotinamide adenine dinucleotide: I145 (≠ F156), A146 (≠ G157), W148 (≠ S159), K172 (= K185), G204 (= G222), G208 (= G226), D209 (≠ E227), T223 (= T241), G224 (= G242), S225 (= S243), T228 (≠ G246), H231 (≠ S249), G248 (≠ S268), E378 (= E394)
Sites not aligning to the query:
Query Sequence
>BPHYT_RS24140 BPHYT_RS24140 2,5-dioxovalerate dehydrogenase
MTITGEMLIGRKAVRGEEKPLHAFNPATGSDIAEPVFGSGSVALVGQACELAQQAFDPYR
QLPLSVRAEFLERIADGITALGDALIERAHQESGLPKARLEGERGRTTGQLKLFAQVVRA
GQWLAATLDSPLPERKPLPRSDLRMRKIPLGPVAVFGASNFPLAFSVAGGDTAAALAAGC
PVVVKAHRAHLGTSEMVGRVIQRVAQEMDLPEGVFSMIVGAGNSVGEALVAHPAIKAVGF
TGSRAGGTSLMRVAAARAEPIPVYAEMSSINPVFLLSNALAARGESIARGFVDSLVLGAG
QFCTNPGLAIAVDSDALKTFVATASEALSGKPAQTMLTSGICAAYEEGEGKLAAIKGVEA
VARGVDTTGPTQARAALFVTDAQTFLATPALEDEVFGPASTIVRCKDEQELLAVAEYFDG
QLTATVQMDSADLASAKKLVPILERKAGRILVNGFPTGVEVSHAMVHGGPFPATSDSRAT
SVGTTSIERFLRPVCYQDFPADLLPEALADNNPLDLWRRRDGEITRS
Or try a new SitesBLAST search
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