SitesBLAST
Comparing PP_2487 FitnessBrowser__Putida:PP_2487 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)
P37685 Aldehyde dehydrogenase B; Acetaldehyde dehydrogenase; EC 1.2.1.4 from Escherichia coli (strain K12) (see paper)
50% identity, 96% coverage: 21:503/503 of query aligns to 25:512/512 of P37685
- R197 (≠ E193) mutation to E: Less than 10% of wild-type acetaldehyde dehydrogenase activity.
4o6rA Crystal structure of a putative aldehyde dehydrogenase from burkholderia cenocepacia
45% identity, 94% coverage: 23:496/503 of query aligns to 6:480/489 of 4o6rA
- active site: N150 (= N167), K173 (= K190), E248 (= E264), C282 (= C298), E383 (= E399), E460 (= E476)
- binding adenosine monophosphate: I146 (≠ V163), V147 (≠ I164), K173 (= K190), G206 (= G222), G210 (= G226), Q211 (= Q227), F224 (= F240), G226 (= G242), S227 (= S243), T230 (≠ V246), R233 (≠ L249)
7radA Crystal structure analysis of aldh1b1
46% identity, 95% coverage: 17:495/503 of query aligns to 8:488/493 of 7radA
- binding nicotinamide-adenine-dinucleotide: I158 (≠ V163), I159 (= I164), P160 (= P165), W161 (= W166), N162 (= N167), M167 (= M172), K185 (= K190), E188 (= E193), G218 (= G222), G222 (= G226), A223 (≠ Q227), T237 (= T241), G238 (= G242), S239 (= S243), V242 (= V246), E261 (= E264), L262 (= L265), C295 (= C298), E392 (= E399), F394 (= F401)
- binding 3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine: L113 (≠ V118), E117 (≠ L122), F163 (= F168), E285 (≠ L288), F289 (≠ W292), N450 (≠ H457), V452 (≠ I459)
7mjdA Crystal structure analysis of aldh1b1
46% identity, 95% coverage: 17:495/503 of query aligns to 8:488/493 of 7mjdA
- binding nicotinamide-adenine-dinucleotide: I158 (≠ V163), I159 (= I164), P160 (= P165), W161 (= W166), N162 (= N167), M167 (= M172), K185 (= K190), E188 (= E193), G218 (= G222), G222 (= G226), F236 (= F240), T237 (= T241), G238 (= G242), S239 (= S243), V242 (= V246), E261 (= E264), L262 (= L265), C295 (= C298), E392 (= E399), F394 (= F401)
- binding 8-(2-methoxyphenyl)-10-(4-phenylphenyl)-1$l^{4},8-diazabicyclo[5.3.0]deca-1(7),9-diene: E117 (≠ L122), E285 (≠ L288), F289 (≠ W292), N450 (≠ H457), V452 (≠ I459)
7mjcA Crystal structure analysis of aldh1b1
46% identity, 95% coverage: 17:495/503 of query aligns to 8:488/493 of 7mjcA
- binding nicotinamide-adenine-dinucleotide: I158 (≠ V163), I159 (= I164), P160 (= P165), W161 (= W166), N162 (= N167), K185 (= K190), E188 (= E193), G218 (= G222), G222 (= G226), T237 (= T241), G238 (= G242), S239 (= S243), V242 (= V246), E261 (= E264), L262 (= L265), C295 (= C298), E392 (= E399), F394 (= F401)
P20000 Aldehyde dehydrogenase, mitochondrial; ALDH class 2; ALDH-E2; ALDHI; EC 1.2.1.3 from Bos taurus (Bovine) (see 2 papers)
45% identity, 96% coverage: 13:495/503 of query aligns to 31:515/520 of P20000
Sites not aligning to the query:
- 1:21 modified: transit peptide, Mitochondrion
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)
43% identity, 94% coverage: 23:497/503 of query aligns to 9:485/490 of Q9HTJ1
- GAWN 150:153 (≠ IPWN 164:167) binding
- K162 (= K176) active site, Charge relay system
- KPSE 176:179 (= KPSE 190:193) binding
- G209 (= G222) binding
- GTST 230:233 (≠ STRV 243:246) binding
- E252 (= E264) active site, Proton acceptor
- C286 (= C298) binding covalent; modified: Cysteine sulfenic acid (-SOH)
- E387 (= E399) binding
- E464 (= E476) active site, Charge relay system
4cazA Crystal structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa in complex with nadh
43% identity, 94% coverage: 23:497/503 of query aligns to 8:484/489 of 4cazA
- active site: N152 (= N167), K175 (= K190), E251 (= E264), C285 (= C298), E386 (= E399), E463 (= E476)
- 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 (≠ V163), G149 (≠ I164), W151 (= W166), N152 (= N167), K175 (= K190), E178 (= E193), G208 (= G222), G212 (= G226), F226 (= F240), T227 (= T241), G228 (= G242), G229 (≠ S243), T232 (≠ V246), V236 (= V250), E251 (= E264), L252 (= L265), C285 (= C298), E386 (= E399), F388 (= F401)
2woxA Betaine aldehyde dehydrogenase from pseudomonas aeruginosa with NAD(p) h-catalytic thiol adduct. (see paper)
43% identity, 94% coverage: 23:497/503 of query aligns to 8:484/489 of 2woxA
- active site: N152 (= N167), K175 (= K190), E251 (= E264), C285 (= C298), E386 (= E399), E463 (= E476)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I148 (≠ V163), G149 (≠ I164), W151 (= W166), N152 (= N167), K175 (= K190), S177 (= S192), E178 (= E193), G208 (= G222), G212 (= G226), F226 (= F240), T227 (= T241), G228 (= G242), G229 (≠ S243), T232 (≠ V246), V236 (= V250), E251 (= E264), L252 (= L265), C285 (= C298), E386 (= E399), F388 (= F401)
2wmeA Crystallographic structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa (see paper)
43% identity, 94% coverage: 23:497/503 of query aligns to 8:484/489 of 2wmeA
- active site: N152 (= N167), K175 (= K190), E251 (= E264), C285 (= C298), E386 (= E399), E463 (= E476)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: G149 (≠ I164), W151 (= W166), K175 (= K190), S177 (= S192), E178 (= E193), G208 (= G222), G212 (= G226), F226 (= F240), G228 (= G242), G229 (≠ S243), T232 (≠ V246), V236 (= V250)
5l13A Structure of aldh2 in complex with 2p3 (see paper)
44% identity, 96% coverage: 13:495/503 of query aligns to 5:489/494 of 5l13A
- active site: N163 (= N167), K186 (= K190), E262 (= E264), C296 (= C298), E393 (= E399), E470 (= E476)
- binding 2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one: F164 (= F168), M168 (= M172), W171 (= W175), F290 (≠ W292), C295 (≠ V297), C296 (= C298), C297 (≠ E299), D451 (≠ H457), F453 (≠ I459)
4kwgA Crystal structure analysis of aldh2+aldib13 (see paper)
44% identity, 96% coverage: 13:495/503 of query aligns to 5:489/494 of 4kwgA
- active site: N163 (= N167), K186 (= K190), E262 (= E264), C296 (= C298), E393 (= E399), E470 (= E476)
- binding 7-bromo-5-methyl-1H-indole-2,3-dione: F164 (= F168), M168 (= M172), C295 (≠ V297), C296 (= C298), C297 (≠ E299), D451 (≠ H457), F453 (≠ I459)
4kwfA Crystal structure analysis of aldh2+aldib33 (see paper)
44% identity, 96% coverage: 13:495/503 of query aligns to 5:489/494 of 4kwfA
- active site: N163 (= N167), K186 (= K190), E262 (= E264), C296 (= C298), E393 (= E399), E470 (= E476)
- binding 1-benzyl-1H-indole-2,3-dione: F164 (= F168), M168 (= M172), W171 (= W175), E262 (= E264), C295 (≠ V297), C296 (= C298), C297 (≠ E299), D451 (≠ H457), F453 (≠ I459), F459 (= F465)
3sz9A Crystal structure of human aldh2 modified with the beta-elimination product of aldi-3; 1-(4-ethylbenzene)prop-2-en-1-one (see paper)
44% identity, 96% coverage: 13:495/503 of query aligns to 5:489/494 of 3sz9A
- active site: N163 (= N167), K186 (= K190), E262 (= E264), C296 (= C298), E393 (= E399), E470 (= E476)
- binding 1-(4-ethylphenyl)propan-1-one: F164 (= F168), C295 (≠ V297), C296 (= C298), D451 (≠ H457), F453 (≠ I459), F459 (= F465)
3injA Human mitochondrial aldehyde dehydrogenase complexed with agonist alda-1 (see paper)
44% identity, 96% coverage: 13:495/503 of query aligns to 5:489/494 of 3injA
- active site: N163 (= N167), K186 (= K190), E262 (= E264), C296 (= C298), E393 (= E399), E470 (= E476)
- binding N-(1,3-benzodioxol-5-ylmethyl)-2,6-dichlorobenzamide: M118 (≠ L122), F164 (= F168), L167 (= L171), F286 (≠ L288), F290 (≠ W292), D451 (≠ H457), F453 (≠ I459)
2vleA The structure of daidzin, a naturally occurring anti alcohol- addiction agent, in complex with human mitochondrial aldehyde dehydrogenase (see paper)
44% identity, 96% coverage: 13:495/503 of query aligns to 5:489/494 of 2vleA
- active site: N163 (= N167), K186 (= K190), E262 (= E264), C296 (= C298), E393 (= E399), E470 (= E476)
- binding daidzin: M118 (≠ L122), F164 (= F168), M168 (= M172), W171 (= W175), F286 (≠ L288), F290 (≠ W292), C295 (≠ V297), C296 (= C298), D451 (≠ H457), V452 (≠ E458), F453 (≠ I459)
1o01B Human mitochondrial aldehyde dehydrogenase complexed with crotonaldehyde, NAD(h) and mg2+ (see paper)
44% identity, 96% coverage: 13:495/503 of query aligns to 5:489/494 of 1o01B
- active site: N163 (= N167), K186 (= K190), E262 (= E264), C296 (= C298), E393 (= E399), E470 (= E476)
- binding (2e)-but-2-enal: C296 (= C298), C297 (≠ E299), F453 (≠ I459)
- binding nicotinamide-adenine-dinucleotide: I159 (≠ V163), I160 (= I164), P161 (= P165), W162 (= W166), K186 (= K190), E189 (= E193), G219 (= G222), G223 (= G226), A224 (≠ Q227), F237 (= F240), G239 (= G242), S240 (= S243), I243 (≠ V246), L263 (= L265), G264 (= G266), C296 (= C298), Q343 (= Q345), E393 (= E399), F395 (= F401)
1cw3A Human mitochondrial aldehyde dehydrogenase complexed with NAD+ and mn2+ (see paper)
44% identity, 96% coverage: 13:495/503 of query aligns to 5:489/494 of 1cw3A
- active site: N163 (= N167), K186 (= K190), E262 (= E264), C296 (= C298), E393 (= E399), E470 (= E476)
- binding magnesium ion: V34 (≠ I41), D103 (= D107), Q190 (≠ L194)
- binding nicotinamide-adenine-dinucleotide: I159 (≠ V163), I160 (= I164), P161 (= P165), W162 (= W166), K186 (= K190), G219 (= G222), G223 (= G226), A224 (≠ Q227), F237 (= F240), G239 (= G242), S240 (= S243), I243 (≠ V246), L263 (= L265), G264 (= G266), C296 (= C298), Q343 (= Q345), K346 (≠ R348), E393 (= E399), F395 (= F401)
4fr8A Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin (see paper)
43% identity, 96% coverage: 13:495/503 of query aligns to 4:488/493 of 4fr8A
- active site: N162 (= N167), K185 (= K190), Q261 (≠ E264), C295 (= C298), E392 (= E399), E469 (= E476)
- binding nicotinamide-adenine-dinucleotide: I158 (≠ V163), I159 (= I164), W161 (= W166), K185 (= K190), G218 (= G222), G222 (= G226), A223 (≠ Q227), F236 (= F240), G238 (= G242), S239 (= S243), I242 (≠ V246), Q342 (= Q345), K345 (≠ R348), E392 (= E399), F394 (= F401)
- binding propane-1,2,3-triyl trinitrate: F163 (= F168), L166 (= L171), W170 (= W175), F289 (≠ W292), S294 (≠ V297), C295 (= C298), D450 (≠ H457), F452 (≠ I459)
4fr8C Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin (see paper)
43% identity, 96% coverage: 13:495/503 of query aligns to 7:491/496 of 4fr8C
- active site: N165 (= N167), K188 (= K190), Q264 (≠ E264), C298 (= C298), E395 (= E399), E472 (= E476)
- binding nicotinamide-adenine-dinucleotide: I161 (≠ V163), I162 (= I164), W164 (= W166), K188 (= K190), G221 (= G222), G225 (= G226), A226 (≠ Q227), F239 (= F240), G241 (= G242), S242 (= S243), I245 (≠ V246), Q345 (= Q345), E395 (= E399), F397 (= F401)
Query Sequence
>PP_2487 FitnessBrowser__Putida:PP_2487
MRYPMKDSSDTHPNHLPDSCYGLFIDNQWVTAEYGETLDIINPANGKILTNIPNATAADV
DRAVQAAQRAFVTWRTTSPAERANALLKIADLLEADADRFAVLETLDVGKPIRESRSVDI
PLAIDHFRYFAGVIRSQSDEAVMLDEQTLSIALSEPLGVVGQVIPWNFPLLMAAWKIAPA
IAAGNTVVIKPSELTPVTILELAKIFAKVLPAGVVNIVTGLGTTVGQALLDHPDLRKLAF
TGSTRVGELVANAAAKKIIPATLELGGKSANIVFPDANWDKAVEGAVLAILWNQGQVCES
GARLFVHESIYERFLAELKHKFEAVRVGDPLNPDTMMGAQVSKTQMERILGYVDIAKEEG
AEVLIGGGRLTGADYDAGFFIQPTILVGVRNDMRVAYEEIFGPVLCVIPFKDEAEVIAMA
NDSEYGLAGAVWTQDINRALRVARAVETGRMWVNTYHEIPAHAPFGGYKKSGLGRETHKS
MLEAYSQKKNIYVSLNEAPLGLF
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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