SitesBLAST
Comparing WP_013420951.1 NCBI__GCF_000166055.1:WP_013420951.1 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
72% identity, 98% coverage: 2:487/496 of query aligns to 6:491/491 of 4iymC
- active site: N153 (= N149), K176 (= K172), F250 (= F246), C284 (= C280), E386 (= E382), Q466 (= Q462)
- binding nicotinamide-adenine-dinucleotide: I149 (= I145), T150 (= T146), P151 (= P147), F152 (= F148), N153 (= N149), F154 (= F150), K176 (= K172), K209 (= K205), V212 (= V208), F226 (= F222), V227 (= V223), G228 (= G224), S229 (= S225), I232 (= I228), G251 (= G247), C284 (= C280), E386 (= E382), F388 (= F384)
4zz7A Crystal structure of methylmalonate-semialdehyde dehydrogenase (dddc) from oceanimonas doudoroffii (see paper)
53% identity, 98% coverage: 3:488/496 of query aligns to 4:489/489 of 4zz7A
- active site: N149 (= N149), K172 (= K172), L246 (≠ F246), C280 (= C280), E382 (= E382), A462 (≠ Q462)
- binding nicotinamide-adenine-dinucleotide: T146 (= T146), P147 (= P147), F148 (= F148), N149 (= N149), K172 (= K172), E175 (= E175), K205 (= K205), V208 (= V208), F222 (= F222), V223 (= V223), G224 (= G224), S225 (= S225), I228 (= I228), L246 (≠ F246), G247 (= G247), C280 (= C280), E382 (= E382), F384 (= F384)
5tjrD X-ray crystal structure of a methylmalonate semialdehyde dehydrogenase from pseudomonas sp. Aac (see paper)
53% identity, 99% coverage: 3:491/496 of query aligns to 3:466/468 of 5tjrD
- active site: N144 (= N149), K167 (= K172), L241 (≠ F246), C270 (= C280), E356 (= E382), A436 (≠ Q462)
- binding adenosine-5'-diphosphate: I140 (= I145), T141 (= T146), F143 (= F148), K167 (= K172), E170 (= E175), K200 (= K205), F217 (= F222), S220 (= S225), I223 (= I228)
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)
41% identity, 97% coverage: 2:483/496 of query aligns to 6:483/487 of P42412
- C36 (≠ K32) 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 (= R103) mutation to L: At least 50-fold decrease of the second-order rate constant for the acylation step.
- A150 (≠ T146) binding NAD(+)
- F152 (= F148) binding NAD(+)
- C160 (≠ M156) 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 (= K172) binding NAD(+)
- E179 (= E175) binding NAD(+)
- R180 (= R176) binding NAD(+)
- S229 (= S225) binding NAD(+)
- T251 (≠ G247) binding NAD(+)
- R283 (= R279) mutation to L: At least 50-fold decrease of the second-order rate constant for the acylation step.
- C287 (≠ I283) 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 (≠ V348) 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 (= E382) binding NAD(+)
- C413 (≠ A413) 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
41% identity, 97% coverage: 2:483/496 of query aligns to 4:481/484 of 1t90A
- active site: N151 (= N149), K174 (= K172), L248 (≠ F246), C282 (= C280), E380 (= E382), A460 (≠ Q462)
- binding nicotinamide-adenine-dinucleotide: I147 (= I145), A148 (≠ T146), P149 (= P147), F150 (= F148), N151 (= N149), W159 (= W157), K174 (= K172), E177 (= E175), R178 (= R176), H207 (≠ K205), V225 (= V223), G226 (= G224), S227 (= S225), V230 (≠ I228), L248 (≠ F246), T249 (≠ G247), C282 (= C280), E380 (= E382), F382 (= F384)
4cazA Crystal structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa in complex with nadh
33% identity, 95% coverage: 6:477/496 of query aligns to 9:478/489 of 4cazA
- active site: N152 (= N149), K175 (= K172), E251 (≠ F246), C285 (= C280), E386 (= E382), E463 (≠ L460)
- 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 (= I145), G149 (≠ T146), W151 (≠ F148), N152 (= N149), K175 (= K172), E178 (= E175), G208 (≠ K205), G212 (≠ D209), F226 (= F222), T227 (≠ V223), G228 (= G224), G229 (≠ S225), T232 (≠ I228), V236 (≠ I232), E251 (≠ F246), L252 (≠ G247), C285 (= C280), E386 (= E382), F388 (= F384)
2woxA Betaine aldehyde dehydrogenase from pseudomonas aeruginosa with NAD(p) h-catalytic thiol adduct. (see paper)
33% identity, 95% coverage: 6:477/496 of query aligns to 9:478/489 of 2woxA
- active site: N152 (= N149), K175 (= K172), E251 (≠ F246), C285 (= C280), E386 (= E382), E463 (≠ L460)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I148 (= I145), G149 (≠ T146), W151 (≠ F148), N152 (= N149), K175 (= K172), S177 (= S174), E178 (= E175), G208 (≠ K205), G212 (≠ D209), F226 (= F222), T227 (≠ V223), G228 (= G224), G229 (≠ S225), T232 (≠ I228), V236 (≠ I232), E251 (≠ F246), L252 (≠ G247), C285 (= C280), E386 (= E382), F388 (= F384)
2wmeA Crystallographic structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa (see paper)
33% identity, 95% coverage: 6:477/496 of query aligns to 9:478/489 of 2wmeA
- active site: N152 (= N149), K175 (= K172), E251 (≠ F246), C285 (= C280), E386 (= E382), E463 (≠ L460)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: G149 (≠ T146), W151 (≠ F148), K175 (= K172), S177 (= S174), E178 (= E175), G208 (≠ K205), G212 (≠ D209), F226 (= F222), G228 (= G224), G229 (≠ S225), T232 (≠ I228), 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)
33% identity, 95% coverage: 6:477/496 of query aligns to 10:479/490 of Q9HTJ1
- GAWN 150:153 (≠ TPFN 146:149) binding NADPH
- K162 (= K158) active site, Charge relay system
- KPSE 176:179 (= KPSE 172:175) binding NADPH
- G209 (≠ K205) binding NADPH
- GTST 230:233 (≠ STAI 225:228) binding NADPH
- E252 (≠ F246) active site, Proton acceptor
- C286 (= C280) binding covalent; modified: Cysteine sulfenic acid (-SOH)
- E387 (= E382) binding NADPH
- E464 (≠ L460) active site, Charge relay system
8skfA Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (lattice translocation disorder)
35% identity, 95% coverage: 6:477/496 of query aligns to 17:486/497 of 8skfA
- binding calcium ion: T33 (≠ V22), I34 (≠ F23), D100 (≠ E89), V187 (≠ R176)
- binding nicotinamide-adenine-dinucleotide: I156 (= I145), G157 (≠ T146), A158 (≠ P147), W159 (≠ F148), K183 (= K172), E186 (= E175), G216 (≠ D204), G220 (≠ V208), T235 (≠ V223), G236 (= G224), G237 (≠ S225), S240 (≠ I228), K243 (≠ Y231), E259 (≠ F246), C293 (= C280), F396 (= F384)
8vr1A Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (ctp bound)
35% identity, 95% coverage: 6:477/496 of query aligns to 8:477/488 of 8vr1A
8vr0A Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (gmp bound)
35% identity, 95% coverage: 6:477/496 of query aligns to 8:477/488 of 8vr0A
8vqzA Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (cmp bound)
35% identity, 95% coverage: 6:477/496 of query aligns to 8:477/488 of 8vqzA
8vqwC Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (coa bound)
35% identity, 95% coverage: 6:477/496 of query aligns to 8:477/488 of 8vqwC
- binding coenzyme a: I147 (= I145), W150 (≠ F148), K174 (= K172), S176 (= S174), E177 (= E175), G207 (≠ D204), G211 (≠ V208), F225 (= F222), G227 (= G224), G228 (≠ S225), S231 (≠ I228), H331 (≠ A328), F387 (= F384)
8vj3A Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (fad bound)
35% identity, 95% coverage: 6:477/496 of query aligns to 8:477/488 of 8vj3A
8uzoA Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (adp bound)
35% identity, 95% coverage: 6:477/496 of query aligns to 8:477/488 of 8uzoA
8uznA Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (amp bound)
35% identity, 95% coverage: 6:477/496 of query aligns to 8:477/488 of 8uznA
- binding adenosine monophosphate: I147 (= I145), G148 (≠ T146), K174 (= K172), S176 (= S174), E177 (= E175), G207 (≠ D204), G211 (≠ V208), F225 (= F222), G228 (≠ S225), S231 (≠ I228), K234 (≠ Y231)
8uzmA Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (NADPH bound)
35% identity, 95% coverage: 6:477/496 of query aligns to 8:477/488 of 8uzmA
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G148 (≠ T146), W150 (≠ F148), K174 (= K172), S176 (= S174), E177 (= E175), G207 (≠ D204), G211 (≠ V208), F225 (= F222), T226 (≠ V223), G227 (= G224), G228 (≠ S225), S231 (≠ I228), E250 (≠ F246), G252 (= G248), C284 (= C280), E385 (= E382), F387 (= F384)
8uzkA Crystal structure of betaine aldehyde dehydrogenase (betb) from klebsiella aerogenes (NADP+ bound)
35% identity, 95% coverage: 6:477/496 of query aligns to 8:477/488 of 8uzkA
- binding nadp nicotinamide-adenine-dinucleotide phosphate: I147 (= I145), G148 (≠ T146), W150 (≠ F148), N151 (= N149), K174 (= K172), S176 (= S174), E177 (= E175), G207 (≠ D204), G211 (≠ V208), F225 (= F222), G227 (= G224), G228 (≠ S225), S231 (≠ I228), E250 (≠ F246), F387 (= F384)
6wsbA Crystal structure of a betaine aldehyde dehydrogenase from burkholderia pseudomallei bound to cofactor NAD (see paper)
34% identity, 95% coverage: 6:477/496 of query aligns to 9:477/489 of 6wsbA
- active site: N152 (= N149), E250 (≠ F246), C284 (= C280), E462 (≠ L460)
- binding nicotinamide-adenine-dinucleotide: I148 (= I145), G149 (≠ T146), A150 (≠ P147), W151 (≠ F148), N152 (= N149), K175 (= K172), E178 (= E175), G208 (≠ K205), G211 (≠ V208), A212 (≠ D209), F225 (= F222), T226 (≠ V223), G227 (= G224), G228 (≠ S225), T231 (≠ I228), V235 (≠ I232), E250 (≠ F246), L251 (≠ G247), G252 (= G248), C284 (= C280), E385 (= E382), F387 (= F384)
Query Sequence
>WP_013420951.1 NCBI__GCF_000166055.1:WP_013420951.1
MELGHFVGGKMIAGQSGRFADVFNPATGKVEKTVALATKAEVRAAVENAKAAQPGWAAVN
PQRRARVIMEFVRLLHRDMDKLAEALSREHGKTFPDAKGDIIRGLEVAEFCIGAPHLLKG
EFSEGVGPGIDIYSVRQPLGVVAGITPFNFPAMIPMWKFCPAIAAGNAFILKPSERAPSV
PLMLAALMQEAGLPDGILNVVNGDKEAVDAILDDTDICAVGFVGSTAIAEYIYTRGCAAG
KRVQCFGGAKNHMVIAPDADLDQVADALIGAGYGAAGERCMAISVAVPIGKDTADRLLER
LIPRVEKLKVGPYTSETVDFGPLVTADAKRRVLGLVDKGIAEGASLVVDGRGFSLQGYED
GFFVGPCLFDNVKPDMEIYKAEIFGPVLSIVRADTYEEALDLPMKHEYGNGVAIFTRDGD
TARDFASRVNVGMVGINVPIPVPLAHYTFGGWKRSGFGDLNQFGADSFRFYTKTKTITSR
WPSGVKEGASFVIPTM
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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