SitesBLAST
Comparing WP_085638869.1 NCBI__GCF_002115805.1:WP_085638869.1 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)
4iymC Crystal structure of putative methylmalonate-semialdehyde dehydrogenase from sinorhizobium meliloti 1021 complexed with NAD, target 011934
74% identity, 98% coverage: 1:489/499 of query aligns to 4:491/491 of 4iymC
- active site: N153 (= N150), K176 (= K173), F250 (= F247), C284 (= C281), E386 (= E384), Q466 (= Q464)
- binding nicotinamide-adenine-dinucleotide: I149 (= I146), T150 (= T147), P151 (= P148), F152 (= F149), N153 (= N150), F154 (= F151), K176 (= K173), K209 (= K206), V212 (= V209), F226 (= F223), V227 (= V224), G228 (= G225), S229 (= S226), I232 (= I229), G251 (= G248), C284 (= C281), E386 (= E384), F388 (= F386)
4zz7A Crystal structure of methylmalonate-semialdehyde dehydrogenase (dddc) from oceanimonas doudoroffii (see paper)
57% identity, 98% coverage: 1:490/499 of query aligns to 1:489/489 of 4zz7A
- active site: N149 (= N150), K172 (= K173), L246 (≠ F247), C280 (= C281), E382 (= E384), A462 (≠ Q464)
- binding nicotinamide-adenine-dinucleotide: T146 (= T147), P147 (= P148), F148 (= F149), N149 (= N150), K172 (= K173), E175 (= E176), K205 (= K206), V208 (= V209), F222 (= F223), V223 (= V224), G224 (= G225), S225 (= S226), I228 (= I229), L246 (≠ F247), G247 (= G248), C280 (= C281), E382 (= E384), F384 (= F386)
5tjrD X-ray crystal structure of a methylmalonate semialdehyde dehydrogenase from pseudomonas sp. Aac (see paper)
57% identity, 99% coverage: 4:495/499 of query aligns to 3:468/468 of 5tjrD
- active site: N144 (= N150), K167 (= K173), L241 (≠ F247), C270 (= C281), E356 (= E384), A436 (≠ Q464)
- binding adenosine-5'-diphosphate: I140 (= I146), T141 (= T147), F143 (= F149), K167 (= K173), E170 (= E176), K200 (= K206), F217 (= F223), S220 (= S226), I223 (= I229)
1t90A Crystal structure of methylmalonate semialdehyde dehydrogenase from bacillus subtilis
44% identity, 97% coverage: 1:485/499 of query aligns to 2:481/484 of 1t90A
- active site: N151 (= N150), K174 (= K173), L248 (≠ F247), C282 (= C281), E380 (= E384), A460 (≠ Q464)
- binding nicotinamide-adenine-dinucleotide: I147 (= I146), A148 (≠ T147), P149 (= P148), F150 (= F149), N151 (= N150), W159 (= W158), K174 (= K173), E177 (= E176), R178 (= R177), H207 (≠ K206), V225 (= V224), G226 (= G225), S227 (= S226), V230 (≠ I229), L248 (≠ F247), T249 (≠ G248), C282 (= C281), E380 (= E384), F382 (= F386)
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)
44% identity, 97% coverage: 1:485/499 of query aligns to 4:483/487 of P42412
- C36 (≠ A33) 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 (= E176) binding NAD(+)
- R180 (= R177) 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 (≠ I284) 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 (≠ V350) 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 (= E384) binding NAD(+)
- C413 (≠ A415) mutation to A: No effect at either the structural or enzymatic levels; when associated with A-36; A-160; A-287 and A-351.
4cazA Crystal structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa in complex with nadh
35% identity, 96% coverage: 1:479/499 of query aligns to 3:478/489 of 4cazA
- active site: N152 (= N150), K175 (= K173), E251 (≠ F247), C285 (= C281), E386 (= E384), E463 (≠ Q464)
- 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 (= E176), G208 (vs. gap), G212 (≠ V209), F226 (= F223), T227 (≠ V224), G228 (= G225), G229 (≠ S226), T232 (≠ I229), V236 (≠ I233), E251 (≠ F247), L252 (≠ G248), C285 (= C281), E386 (= E384), F388 (= F386)
2woxA Betaine aldehyde dehydrogenase from pseudomonas aeruginosa with NAD(p) h-catalytic thiol adduct. (see paper)
35% identity, 96% coverage: 1:479/499 of query aligns to 3:478/489 of 2woxA
- active site: N152 (= N150), K175 (= K173), E251 (≠ F247), C285 (= C281), E386 (= E384), E463 (≠ Q464)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I148 (= I146), G149 (≠ T147), W151 (≠ F149), N152 (= N150), K175 (= K173), S177 (= S175), E178 (= E176), G208 (vs. gap), G212 (≠ V209), F226 (= F223), T227 (≠ V224), G228 (= G225), G229 (≠ S226), T232 (≠ I229), V236 (≠ I233), E251 (≠ F247), L252 (≠ G248), C285 (= C281), E386 (= E384), F388 (= F386)
2wmeA Crystallographic structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa (see paper)
35% identity, 96% coverage: 1:479/499 of query aligns to 3:478/489 of 2wmeA
- active site: N152 (= N150), K175 (= K173), E251 (≠ F247), C285 (= C281), E386 (= E384), E463 (≠ Q464)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: G149 (≠ T147), W151 (≠ F149), K175 (= K173), S177 (= S175), E178 (= E176), G208 (vs. gap), G212 (≠ V209), F226 (= F223), G228 (= G225), G229 (≠ S226), T232 (≠ I229), V236 (≠ I233)
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)
35% identity, 96% coverage: 1:479/499 of query aligns to 4:479/490 of Q9HTJ1
- GAWN 150:153 (≠ TPFN 147:150) binding NADPH
- K162 (≠ M159) active site, Charge relay system
- KPSE 176:179 (= KPSE 173:176) binding NADPH
- G209 (vs. gap) binding NADPH
- GTST 230:233 (≠ STPI 226:229) binding NADPH
- E252 (≠ F247) active site, Proton acceptor
- C286 (= C281) binding covalent; modified: Cysteine sulfenic acid (-SOH)
- E387 (= E384) binding NADPH
- E464 (≠ Q464) active site, Charge relay system
8vr1A Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (ctp bound)
35% identity, 96% coverage: 1:479/499 of query aligns to 2:477/488 of 8vr1A
8vr0A Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (gmp bound)
35% identity, 96% coverage: 1:479/499 of query aligns to 2:477/488 of 8vr0A
8vqzA Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (cmp bound)
35% identity, 96% coverage: 1:479/499 of query aligns to 2:477/488 of 8vqzA
8vqwC Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (coa bound)
35% identity, 96% coverage: 1:479/499 of query aligns to 2:477/488 of 8vqwC
- binding coenzyme a: I147 (= I146), W150 (≠ F149), K174 (= K173), S176 (= S175), E177 (= E176), G207 (≠ D205), G211 (≠ V209), F225 (= F223), G227 (= G225), G228 (≠ S226), S231 (≠ I229), H331 (≠ A330), F387 (= F386)
8vj3A Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (fad bound)
35% identity, 96% coverage: 1:479/499 of query aligns to 2:477/488 of 8vj3A
8uzoA Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (adp bound)
35% identity, 96% coverage: 1:479/499 of query aligns to 2:477/488 of 8uzoA
8uznA Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (amp bound)
35% identity, 96% coverage: 1:479/499 of query aligns to 2:477/488 of 8uznA
- binding adenosine monophosphate: I147 (= I146), G148 (≠ T147), K174 (= K173), S176 (= S175), E177 (= E176), G207 (≠ D205), G211 (≠ V209), F225 (= F223), G228 (≠ S226), S231 (≠ I229), K234 (≠ Y232)
8uzmA Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (NADPH bound)
35% identity, 96% coverage: 1:479/499 of query aligns to 2:477/488 of 8uzmA
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G148 (≠ T147), W150 (≠ F149), K174 (= K173), S176 (= S175), E177 (= E176), G207 (≠ D205), G211 (≠ V209), F225 (= F223), T226 (≠ V224), G227 (= G225), G228 (≠ S226), S231 (≠ I229), E250 (≠ F247), G252 (= G249), C284 (= C281), E385 (= E384), F387 (= F386)
8uzkA Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (NADP+ bound)
35% identity, 96% coverage: 1:479/499 of query aligns to 2:477/488 of 8uzkA
- binding nadp nicotinamide-adenine-dinucleotide phosphate: I147 (= I146), G148 (≠ T147), W150 (≠ F149), N151 (= N150), K174 (= K173), S176 (= S175), E177 (= E176), G207 (≠ D205), G211 (≠ V209), F225 (= F223), G227 (= G225), G228 (≠ S226), S231 (≠ I229), E250 (≠ F247), F387 (= F386)
8skfA Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (lattice translocation disorder)
35% identity, 96% coverage: 1:479/499 of query aligns to 11:486/497 of 8skfA
- binding calcium ion: T33 (≠ V23), I34 (≠ Y24), D100 (≠ E90), V187 (≠ R177)
- binding nicotinamide-adenine-dinucleotide: I156 (= I146), G157 (≠ T147), A158 (≠ P148), W159 (≠ F149), K183 (= K173), E186 (= E176), G216 (≠ D205), G220 (≠ V209), T235 (≠ V224), G236 (= G225), G237 (≠ S226), S240 (≠ I229), K243 (≠ Y232), E259 (≠ F247), C293 (= C281), F396 (= F386)
6wsbA Crystal structure of a betaine aldehyde dehydrogenase from burkholderia pseudomallei bound to cofactor NAD (see paper)
35% identity, 96% coverage: 1:479/499 of query aligns to 5:477/489 of 6wsbA
- active site: N152 (= N150), E250 (≠ F247), C284 (= C281), E462 (≠ Q464)
- binding nicotinamide-adenine-dinucleotide: I148 (= I146), G149 (≠ T147), A150 (≠ P148), W151 (≠ F149), N152 (= N150), K175 (= K173), E178 (= E176), G208 (≠ K206), G211 (≠ V209), A212 (≠ D210), F225 (= F223), T226 (≠ V224), G227 (= G225), G228 (≠ S226), T231 (≠ I229), V235 (≠ I233), E250 (≠ F247), L251 (≠ G248), G252 (= G249), C284 (= C281), E385 (= E384), F387 (= F386)
Query Sequence
>WP_085638869.1 NCBI__GCF_002115805.1:WP_085638869.1
MQELTHYIGGEHVKGTSGRFADVYNPATGEVQAKVPLASTDEIAKAVEIAAKAQPAWAAT
NPQRRARVMMAFVGLLNRDMDKLAEALSREHGKTLPDAKGDVQRGLEVVEYCIGAPELLK
GEYTDSAGPGIDMYSMKQPLGVTAGITPFNFPAMIPMWMFAPALACGNAFILKPSERDPS
VPLMLAELMEEAGLPRGVLQVVNGDKEAVDALLHHPVIQSIGFVGSTPIAEYIYGTGCAN
GKRVQCFGGAKNHMIIMPDADMDQAADALIGAGYGAAGERCMAISVAVPVGDETADRLIE
KLVPRIEKLKVGPYTAGDDVDYGPVVTAAAKQNILGLIQSGVDQGAELVVDGRDFSLQGY
EDGFFVGPHLFDRVTPDMDIYKKEIFGPVLSTVRAGSYEEAIKLAMDHEYGNGTAIFTRD
GDAARDFANRINIGMVGINVPIPVPLAYHTFGGWKKSVFGDLNQHGPDAFKFYTRTKTVT
SRWPSGIKEGGEFNFKAMD
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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