SitesBLAST
Comparing BWI76_RS03070 FitnessBrowser__Koxy:BWI76_RS03070 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)
57% identity, 97% coverage: 1:486/501 of query aligns to 1:482/489 of 4zz7A
- active site: N149 (= N150), K172 (= K173), L246 (≠ F247), C280 (= C281), E382 (= E386), A462 (≠ V466)
- binding nicotinamide-adenine-dinucleotide: T146 (= T147), P147 (= P148), F148 (= F149), N149 (= N150), K172 (= K173), E175 (≠ A176), K205 (≠ N206), V208 (≠ A209), F222 (= F223), V223 (= V224), G224 (= G225), S225 (= S226), I228 (≠ V229), L246 (≠ F247), G247 (= G248), C280 (= C281), E382 (= E386), F384 (= F388)
4iymC Crystal structure of putative methylmalonate-semialdehyde dehydrogenase from sinorhizobium meliloti 1021 complexed with NAD, target 011934
52% identity, 97% coverage: 5:488/501 of query aligns to 8:488/491 of 4iymC
- active site: N153 (= N150), K176 (= K173), F250 (= F247), C284 (= C281), E386 (= E386), Q466 (≠ V466)
- binding nicotinamide-adenine-dinucleotide: I149 (= I146), T150 (= T147), P151 (= P148), F152 (= F149), N153 (= N150), F154 (= F151), K176 (= K173), K209 (≠ N206), V212 (≠ A209), F226 (= F223), V227 (= V224), G228 (= G225), S229 (= S226), I232 (≠ V229), G251 (= G248), C284 (= C281), E386 (= E386), F388 (= F388)
5tjrD X-ray crystal structure of a methylmalonate semialdehyde dehydrogenase from pseudomonas sp. Aac (see paper)
52% identity, 97% coverage: 2:487/501 of query aligns to 1:457/468 of 5tjrD
- active site: N144 (= N150), K167 (= K173), L241 (≠ F247), C270 (= C281), E356 (= E386), A436 (≠ V466)
- binding adenosine-5'-diphosphate: I140 (= I146), T141 (= T147), F143 (= F149), K167 (= K173), E170 (≠ A176), K200 (≠ N206), F217 (= F223), S220 (= S226), I223 (≠ V229)
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)
48% identity, 96% coverage: 6:486/501 of query aligns to 9:482/487 of P42412
- C36 (≠ R33) 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 (= R104) mutation to L: At least 50-fold decrease of the second-order rate constant for the acylation step.
- A150 (≠ T147) binding NAD(+)
- F152 (= F149) binding NAD(+)
- C160 (≠ M157) 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 (= K173) binding NAD(+)
- E179 (≠ A176) binding NAD(+)
- R180 (≠ L177) binding NAD(+)
- S229 (= S226) binding NAD(+)
- T251 (≠ G248) binding NAD(+)
- R283 (= R280) mutation to L: At least 50-fold decrease of the second-order rate constant for the acylation step.
- C287 (≠ L284) 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 (≠ V352) 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 NAD(+)
- C413 (≠ A417) mutation to A: No effect at either the structural or enzymatic levels; when associated with A-36; A-160; A-287 and A-351.
1t90A Crystal structure of methylmalonate semialdehyde dehydrogenase from bacillus subtilis
48% identity, 96% coverage: 6:486/501 of query aligns to 7:480/484 of 1t90A
- active site: N151 (= N150), K174 (= K173), L248 (≠ F247), C282 (= C281), E380 (= E386), A460 (≠ V466)
- binding nicotinamide-adenine-dinucleotide: I147 (= I146), A148 (≠ T147), P149 (= P148), F150 (= F149), N151 (= N150), W159 (= W158), K174 (= K173), E177 (≠ A176), R178 (≠ L177), H207 (≠ N206), V225 (= V224), G226 (= G225), S227 (= S226), V230 (= V229), L248 (≠ F247), T249 (≠ G248), C282 (= C281), E380 (= E386), F382 (= F388)
1bpwA Betaine aldehyde dehydrogenase from cod liver (see paper)
31% identity, 95% coverage: 6:483/501 of query aligns to 22:494/503 of 1bpwA
- active site: N166 (= N150), K189 (= K173), E263 (≠ F247), C297 (= C281), E400 (= E386), E477 (≠ L464)
- binding nicotinamide-adenine-dinucleotide: I162 (= I146), L163 (≠ T147), W165 (≠ F149), N166 (= N150), K189 (= K173), G221 (≠ S205), G225 (≠ A209), T240 (≠ V224), G241 (= G225), S242 (= S226), T245 (≠ V229), E263 (≠ F247), L264 (≠ G248), C297 (= C281), E400 (= E386), F402 (= F388), F466 (= F453)
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)
31% identity, 95% coverage: 6:483/501 of query aligns to 22:494/503 of P56533
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)
32% identity, 95% coverage: 7:483/501 of query aligns to 10:481/490 of Q9HTJ1
- GAWN 150:153 (≠ TPFN 147:150) binding NADPH
- K162 (≠ M159) active site, Charge relay system
- KPSE 176:179 (≠ KPPA 173:176) binding NADPH
- G209 (≠ N206) binding NADPH
- GTST 230:233 (≠ SSGV 226:229) binding NADPH
- E252 (≠ F247) active site, Proton acceptor
- C286 (= C281) binding covalent; modified: Cysteine sulfenic acid (-SOH)
- E387 (= E386) binding NADPH
- E464 (≠ L464) active site, Charge relay system
4cazA Crystal structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa in complex with nadh
32% identity, 95% coverage: 7:483/501 of query aligns to 9:480/489 of 4cazA
- active site: N152 (= N150), K175 (= K173), E251 (≠ F247), C285 (= C281), E386 (= E386), E463 (≠ L464)
- 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 (≠ F149), N152 (= N150), K175 (= K173), E178 (≠ A176), G208 (≠ N206), G212 (≠ E210), F226 (= F223), T227 (≠ V224), G228 (= G225), G229 (≠ S226), T232 (≠ V229), V236 (≠ I233), E251 (≠ F247), L252 (≠ G248), C285 (= C281), E386 (= E386), F388 (= F388)
2woxA Betaine aldehyde dehydrogenase from pseudomonas aeruginosa with NAD(p) h-catalytic thiol adduct. (see paper)
32% identity, 95% coverage: 7:483/501 of query aligns to 9:480/489 of 2woxA
- active site: N152 (= N150), K175 (= K173), E251 (≠ F247), C285 (= C281), E386 (= E386), E463 (≠ L464)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I148 (= I146), G149 (≠ T147), W151 (≠ F149), N152 (= N150), K175 (= K173), S177 (≠ P175), E178 (≠ A176), G208 (≠ N206), G212 (≠ E210), F226 (= F223), T227 (≠ V224), G228 (= G225), G229 (≠ S226), T232 (≠ V229), V236 (≠ I233), E251 (≠ F247), L252 (≠ G248), C285 (= C281), E386 (= E386), F388 (= F388)
2wmeA Crystallographic structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa (see paper)
32% identity, 95% coverage: 7:483/501 of query aligns to 9:480/489 of 2wmeA
- active site: N152 (= N150), K175 (= K173), E251 (≠ F247), C285 (= C281), E386 (= E386), E463 (≠ L464)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: G149 (≠ T147), W151 (≠ F149), K175 (= K173), S177 (≠ P175), E178 (≠ A176), G208 (≠ N206), G212 (≠ E210), F226 (= F223), G228 (= G225), G229 (≠ S226), T232 (≠ V229), V236 (≠ I233)
6vr6D Structure of aldh9a1 complexed with NAD+ in space group p1 (see paper)
31% identity, 95% coverage: 6:483/501 of query aligns to 12:484/493 of 6vr6D
- active site: N156 (= N150), E253 (≠ F247), C287 (= C281), E467 (≠ L464)
- binding nicotinamide-adenine-dinucleotide: I152 (= I146), G153 (≠ T147), W155 (≠ F149), K179 (= K173), A212 (≠ N206), G215 (≠ A209), Q216 (≠ E210), F229 (= F223), G231 (= G225), S232 (= S226), T235 (≠ V229), I239 (= I233)
P49189 4-trimethylaminobutyraldehyde dehydrogenase; TMABA-DH; TMABALDH; Aldehyde dehydrogenase E3 isozyme; Aldehyde dehydrogenase family 9 member A1; Formaldehyde dehydrogenase; Gamma-aminobutyraldehyde dehydrogenase; R-aminobutyraldehyde dehydrogenase; EC 1.2.1.47; EC 1.2.1.3; EC 1.2.1.46; EC 1.2.1.19 from Homo sapiens (Human) (see 2 papers)
31% identity, 95% coverage: 6:483/501 of query aligns to 13:485/494 of P49189
- C116 (≠ V108) to S: in allele ALDH9A1*2
Sites not aligning to the query:
- 1 modified: Initiator methionine, Removed; alternate
- 2 modified: N-acetylserine; in 4-trimethylaminobutyraldehyde dehydrogenase, N-terminally processed
8rwkA Cryoem structure of the central ald4 filament determined by filamentid (see paper)
33% identity, 92% coverage: 4:462/501 of query aligns to 21:472/495 of 8rwkA
5gtlA NADPH complex structure of aldehyde dehydrogenase from bacillus cereus
32% identity, 95% coverage: 7:484/501 of query aligns to 20:489/491 of 5gtlA
- active site: N165 (= N150), K188 (= K173), E263 (≠ F247), C297 (= C281), E394 (= E386), E471 (≠ A463)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (= I146), P163 (= P148), K188 (= K173), A190 (≠ P175), E191 (≠ A176), Q192 (≠ L177), G221 (≠ N206), G225 (vs. gap), G241 (= G225), S242 (= S226), T245 (≠ V229), L264 (≠ G248), C297 (= C281), E394 (= E386), F396 (= F388)
5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
32% identity, 95% coverage: 7:484/501 of query aligns to 20:489/491 of 5gtkA
- active site: N165 (= N150), K188 (= K173), E263 (≠ F247), C297 (= C281), E394 (= E386), E471 (≠ A463)
- binding nicotinamide-adenine-dinucleotide: I161 (= I146), I162 (≠ T147), P163 (= P148), W164 (≠ F149), K188 (= K173), E191 (≠ A176), G221 (≠ N206), G225 (vs. gap), A226 (≠ E210), F239 (= F223), G241 (= G225), S242 (= S226), T245 (≠ V229), Y248 (≠ H232), L264 (≠ G248), C297 (= C281), Q344 (≠ H332), R347 (≠ K335), E394 (= E386), F396 (= F388)
8skfA Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (lattice translocation disorder)
32% identity, 95% coverage: 7:483/501 of query aligns to 17:488/497 of 8skfA
- binding calcium ion: T33 (≠ V23), I34 (≠ F24), D100 (≠ E90), V187 (≠ L177)
- binding nicotinamide-adenine-dinucleotide: I156 (= I146), G157 (≠ T147), A158 (≠ P148), W159 (≠ F149), K183 (= K173), E186 (≠ A176), G216 (≠ S205), G220 (≠ A209), T235 (≠ V224), G236 (= G225), G237 (≠ S226), S240 (≠ V229), K243 (≠ H232), E259 (≠ F247), C293 (= C281), F396 (= F388)
8vr1A Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (ctp bound)
32% identity, 95% coverage: 7:483/501 of query aligns to 8:479/488 of 8vr1A
8vr0A Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (gmp bound)
32% identity, 95% coverage: 7:483/501 of query aligns to 8:479/488 of 8vr0A
8vqzA Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (cmp bound)
32% identity, 95% coverage: 7:483/501 of query aligns to 8:479/488 of 8vqzA
Query Sequence
>BWI76_RS03070 FitnessBrowser__Koxy:BWI76_RS03070
MTITGNFIGGKTVTSGSNKTMPVFDPATGKVVREVTLSTAQEVSDAIQVARDAFESWSRT
TPLRRARVMFNFKMLLEQHAEELAGIIVSEHGKVFSDAMGELTRGMEVVEFACGIPHLIK
GEFSSDVGTGVDSYSLMQPLGVVAGITPFNFPAMVPMWMFPLALACGNSFVLKPPALAPT
AAVRLAELLKEAGLPDGVFNVVHCSNEDAEQLYRDPRIAAVSFVGSSGVAEHIYKTASAY
GKRVQAFGAAKNHAIVMPDADLDATVNAIMGGAFGSAGERCMALPVVVAVGDETADKLIA
RLKPLVESLKVGPGCMRGKEENEMGPVVSDTHQKKVLGYIDKGVSEGATLVVDGRKPQVP
GFEEGYYVGGTLFDNVTPEMTIWREEIFGPVLGIVRVADYHSALELVNSHEFGNGSAVFT
SNGHTAREFVHDVQAGMVGVNVPVPVPMAFHSFGGWKRSVFGALNVHGPDGVRFYTRMKT
ATVRWPQGQQTVSEFSMPTLG
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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