SitesBLAST
Comparing AO356_25485 FitnessBrowser__pseudo5_N2C3_1:AO356_25485 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)
5gtlA NADPH complex structure of aldehyde dehydrogenase from bacillus cereus
39% identity, 100% coverage: 2:494/495 of query aligns to 1:489/491 of 5gtlA
- active site: N165 (= N170), K188 (= K193), E263 (= E268), C297 (= C302), E394 (= E399), E471 (= E476)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (= I166), P163 (= P168), K188 (= K193), A190 (≠ S195), E191 (= E196), Q192 (≠ F197), G221 (= G225), G225 (= G229), G241 (= G245), S242 (= S246), T245 (= T249), L264 (= L269), C297 (= C302), E394 (= E399), F396 (= F401)
5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
39% identity, 100% coverage: 2:494/495 of query aligns to 1:489/491 of 5gtkA
- active site: N165 (= N170), K188 (= K193), E263 (= E268), C297 (= C302), E394 (= E399), E471 (= E476)
- binding nicotinamide-adenine-dinucleotide: I161 (= I166), I162 (≠ V167), P163 (= P168), W164 (= W169), K188 (= K193), E191 (= E196), G221 (= G225), G225 (= G229), A226 (≠ K230), F239 (= F243), G241 (= G245), S242 (= S246), T245 (= T249), Y248 (≠ A252), L264 (= L269), C297 (= C302), Q344 (≠ H349), R347 (≠ K352), E394 (= E399), F396 (= F401)
4o6rA Crystal structure of a putative aldehyde dehydrogenase from burkholderia cenocepacia
42% identity, 96% coverage: 20:493/495 of query aligns to 6:477/489 of 4o6rA
- active site: N150 (= N170), K173 (= K193), E248 (= E268), C282 (= C302), E383 (= E399), E460 (= E476)
- binding adenosine monophosphate: I146 (= I166), V147 (= V167), K173 (= K193), G206 (= G226), G210 (= G229), Q211 (≠ K230), F224 (= F243), G226 (= G245), S227 (= S246), T230 (= T249), R233 (≠ A252)
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)
40% identity, 96% coverage: 18:493/495 of query aligns to 7:481/490 of Q9HTJ1
- GAWN 150:153 (≠ VPWN 167:170) binding
- K162 (= K179) active site, Charge relay system
- KPSE 176:179 (= KPSE 193:196) binding
- G209 (= G226) binding
- GTST 230:233 (≠ SVPT 246:249) binding
- E252 (= E268) active site, Proton acceptor
- C286 (= C302) 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
40% identity, 96% coverage: 18:493/495 of query aligns to 6:480/489 of 4cazA
- active site: N152 (= N170), K175 (= K193), E251 (= E268), C285 (= C302), 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 (= I166), G149 (≠ V167), W151 (= W169), N152 (= N170), K175 (= K193), E178 (= E196), G208 (= G226), G212 (= G229), F226 (= F243), T227 (= T244), G228 (= G245), G229 (≠ S246), T232 (= T249), V236 (= V253), E251 (= E268), L252 (= L269), C285 (= C302), E386 (= E399), F388 (= F401)
2woxA Betaine aldehyde dehydrogenase from pseudomonas aeruginosa with NAD(p) h-catalytic thiol adduct. (see paper)
40% identity, 96% coverage: 18:493/495 of query aligns to 6:480/489 of 2woxA
- active site: N152 (= N170), K175 (= K193), E251 (= E268), C285 (= C302), E386 (= E399), E463 (= E476)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I148 (= I166), G149 (≠ V167), W151 (= W169), N152 (= N170), K175 (= K193), S177 (= S195), E178 (= E196), G208 (= G226), G212 (= G229), F226 (= F243), T227 (= T244), G228 (= G245), G229 (≠ S246), T232 (= T249), V236 (= V253), E251 (= E268), L252 (= L269), C285 (= C302), E386 (= E399), F388 (= F401)
2wmeA Crystallographic structure of betaine aldehyde dehydrogenase from pseudomonas aeruginosa (see paper)
40% identity, 96% coverage: 18:493/495 of query aligns to 6:480/489 of 2wmeA
- active site: N152 (= N170), K175 (= K193), E251 (= E268), C285 (= C302), E386 (= E399), E463 (= E476)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: G149 (≠ V167), W151 (= W169), K175 (= K193), S177 (= S195), E178 (= E196), G208 (= G226), G212 (= G229), F226 (= F243), G228 (= G245), G229 (≠ S246), T232 (= T249), V236 (= V253)
4go4A Crystal structure of pnpe in complex with nicotinamide adenine dinucleotide
40% identity, 96% coverage: 17:493/495 of query aligns to 2:475/487 of 4go4A
- active site: N149 (= N170), K172 (= K193), E247 (= E268), C281 (= C302), E381 (= E399), E458 (= E476)
- binding nicotinamide-adenine-dinucleotide: I145 (= I166), V146 (= V167), W148 (= W169), N149 (= N170), F154 (≠ I175), K172 (= K193), G205 (= G226), G209 (= G229), Q210 (≠ K230), F223 (= F243), T224 (= T244), G225 (= G245), S226 (= S246), T229 (= T249), E247 (= E268), G249 (= G270), C281 (= C302), E381 (= E399), F383 (= F401)
4pxlA Structure of zm aldh2-3 (rf2c) in complex with NAD (see paper)
37% identity, 96% coverage: 16:492/495 of query aligns to 4:477/486 of 4pxlA
- active site: N154 (= N170), K177 (= K193), E253 (= E268), C287 (= C302), E384 (= E399), D461 (≠ E476)
- binding nicotinamide-adenine-dinucleotide: I150 (= I166), V151 (= V167), P152 (= P168), W153 (= W169), K177 (= K193), E180 (= E196), G210 (= G225), G214 (= G229), A215 (≠ K230), F228 (= F243), G230 (= G245), S231 (= S246), V234 (≠ T249), E253 (= E268), G255 (= G270), C287 (= C302), Q334 (≠ H349), K337 (= K352), E384 (= E399), F386 (= F401)
7radA Crystal structure analysis of aldh1b1
38% identity, 96% coverage: 18:494/495 of query aligns to 13:487/493 of 7radA
- binding nicotinamide-adenine-dinucleotide: I158 (= I166), I159 (≠ V167), P160 (= P168), W161 (= W169), N162 (= N170), M167 (≠ I175), K185 (= K193), E188 (= E196), G218 (= G225), G222 (= G229), A223 (≠ K230), T237 (= T244), G238 (= G245), S239 (= S246), V242 (≠ T249), E261 (= E268), L262 (= L269), C295 (= C302), 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 (≠ F115), E117 (≠ Q119), F163 (= F171), E285 (= E292), F289 (≠ L296), N450 (≠ T457), V452 (≠ L459)
7mjdA Crystal structure analysis of aldh1b1
38% identity, 96% coverage: 18:494/495 of query aligns to 13:487/493 of 7mjdA
- binding nicotinamide-adenine-dinucleotide: I158 (= I166), I159 (≠ V167), P160 (= P168), W161 (= W169), N162 (= N170), M167 (≠ I175), K185 (= K193), E188 (= E196), G218 (= G225), G222 (= G229), F236 (= F243), T237 (= T244), G238 (= G245), S239 (= S246), V242 (≠ T249), E261 (= E268), L262 (= L269), C295 (= C302), 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 (≠ Q119), E285 (= E292), F289 (≠ L296), N450 (≠ T457), V452 (≠ L459)
7mjcA Crystal structure analysis of aldh1b1
38% identity, 96% coverage: 18:494/495 of query aligns to 13:487/493 of 7mjcA
- binding nicotinamide-adenine-dinucleotide: I158 (= I166), I159 (≠ V167), P160 (= P168), W161 (= W169), N162 (= N170), K185 (= K193), E188 (= E196), G218 (= G225), G222 (= G229), T237 (= T244), G238 (= G245), S239 (= S246), V242 (≠ T249), E261 (= E268), L262 (= L269), C295 (= C302), E392 (= E399), F394 (= F401)
Q63639 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Rattus norvegicus (Rat) (see paper)
37% identity, 100% coverage: 1:494/495 of query aligns to 20:512/518 of Q63639
O94788 Retinal dehydrogenase 2; RALDH 2; RalDH2; Aldehyde dehydrogenase family 1 member A2; ALDH1A2; Retinaldehyde-specific dehydrogenase type 2; RALDH(II); EC 1.2.1.36 from Homo sapiens (Human) (see 6 papers)
38% identity, 100% coverage: 1:494/495 of query aligns to 20:512/518 of O94788
- E50 (≠ Q30) to G: in dbSNP:rs34266719
- A110 (= A87) to V: in dbSNP:rs35365164
- Q182 (≠ G165) to K: in DIH4; decreased retinoic acid biosynthetic process
- IPW 184:186 (≠ VPW 167:169) binding
- KPAE 210:213 (≠ KPSE 193:196) binding
- STE 264:266 (≠ SVP 246:248) binding
- C320 (= C302) active site, Nucleophile
- R347 (≠ L329) to H: in DIH4; decreased expression; dbSNP:rs141245344
- V348 (≠ T330) to I: in dbSNP:rs4646626
- KQYNK 366:370 (≠ QHQHK 348:352) binding
- A383 (≠ N365) to T: in DIH4; uncertain significance; dbSNP:rs749124508
- E417 (= E399) binding
- E436 (= E418) to K: in dbSNP:rs34744827
- S461 (≠ V443) to Y: in DIH4; decreased retinoic acid biosynthetic process
4neaA 1.90 angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betb) from staphylococcus aureus in complex with NAD+ and bme-free cys289 (see paper)
37% identity, 95% coverage: 21:492/495 of query aligns to 21:492/505 of 4neaA
- active site: N166 (= N170), K189 (= K193), E264 (= E268), C298 (= C302), E399 (= E399), E476 (= E476)
- binding nicotinamide-adenine-dinucleotide: P164 (= P168), K189 (= K193), E192 (= E196), G222 (= G226), G226 (= G229), G242 (= G245), G243 (≠ S246), T246 (= T249), H249 (≠ A252), I250 (≠ V253), C298 (= C302), E399 (= E399), F401 (= F401)
6b5hA Aldh1a2 liganded with NAD and 1-(4-cyanophenyl)-n-(3-fluorophenyl)-3- [4-(methylsulfonyl)phenyl]-1h-pyrazole-4-carboxamide (compound cm121) (see paper)
38% identity, 96% coverage: 20:494/495 of query aligns to 14:486/492 of 6b5hA
- active site: N161 (= N170), E260 (= E268), C294 (= C302), E468 (= E476)
- binding 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide: V112 (= V117), G116 (≠ A121), F162 (= F171), W169 (= W178), Q284 (≠ E292), F288 (≠ L296), T295 (≠ A303), N449 (≠ T457), L451 (= L459), N452 (≠ D460), F457 (= F465)
- binding nicotinamide-adenine-dinucleotide: I157 (= I166), I158 (≠ V167), W160 (= W169), N161 (= N170), K184 (= K193), G217 (= G225), G221 (= G229), F235 (= F243), T236 (= T244), G237 (= G245), S238 (= S246), V241 (≠ T249), E260 (= E268), L261 (= L269), C294 (= C302), F393 (= F401)
6b5gA Aldh1a2 liganded with NAD and (3-ethoxythiophen-2-yl){4-[4-nitro-3- (pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone (compound 6-118) (see paper)
38% identity, 96% coverage: 20:494/495 of query aligns to 14:486/492 of 6b5gA
- active site: N161 (= N170), E260 (= E268), C294 (= C302), E468 (= E476)
- binding (3-ethoxythiophen-2-yl){4-[4-nitro-3-(pyrrolidin-1-yl)phenyl]piperazin-1-yl}methanone: F162 (= F171), L165 (≠ M174), W169 (= W178), F288 (≠ L296), C293 (≠ I301), C294 (= C302), T295 (≠ A303), N449 (≠ T457), L451 (= L459)
- binding nicotinamide-adenine-dinucleotide: I157 (= I166), I158 (≠ V167), P159 (= P168), W160 (= W169), N161 (= N170), M166 (≠ I175), K184 (= K193), E187 (= E196), G217 (= G225), G221 (= G229), F235 (= F243), T236 (= T244), G237 (= G245), S238 (= S246), V241 (≠ T249), E260 (= E268), L261 (= L269), C294 (= C302), E391 (= E399), F393 (= F401)
6aljA Aldh1a2 liganded with NAD and compound win18,446 (see paper)
38% identity, 96% coverage: 20:494/495 of query aligns to 14:486/492 of 6aljA
- active site: N161 (= N170), E260 (= E268), C294 (= C302), E468 (= E476)
- binding N,N'-(octane-1,8-diyl)bis(2,2-dichloroacetamide): G116 (≠ A121), F162 (= F171), L165 (≠ M174), M166 (≠ I175), W169 (= W178), E260 (= E268), C293 (≠ I301), C294 (= C302), L451 (= L459), N452 (≠ D460), A453 (≠ P461)
- binding nicotinamide-adenine-dinucleotide: I157 (= I166), I158 (≠ V167), P159 (= P168), W160 (= W169), N161 (= N170), K184 (= K193), E187 (= E196), G217 (= G225), G221 (= G229), F235 (= F243), G237 (= G245), S238 (= S246), V241 (≠ T249), Q341 (≠ H349), K344 (= K352), E391 (= E399), F393 (= F401)
7a6qB Crystal structure of human aldehyde dehydrogenase 1a3 in complex with selective nr6 inhibitor compound (see paper)
37% identity, 96% coverage: 20:494/495 of query aligns to 16:488/489 of 7a6qB
- active site: N163 (= N170), E262 (= E268), C296 (= C302), E470 (= E476)
- binding nicotinamide-adenine-dinucleotide: I159 (= I166), W162 (= W169), K186 (= K193), E189 (= E196), G219 (= G225), G223 (= G229), S240 (= S246), V243 (≠ T249), K342 (≠ Q348)
- binding (3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium: A32 (≠ D36), T33 (≠ V37), C34 (≠ V38), P36 (= P40), D103 (≠ Q104), E189 (= E196), Q190 (≠ F197), F218 (vs. gap), I339 (≠ T345), D340 (≠ N346)
- binding 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile: G118 (≠ Q119), D141 (≠ G148), N143 (≠ R150), N451 (≠ T457), L453 (= L459), A455 (≠ P461)
7a6qA Crystal structure of human aldehyde dehydrogenase 1a3 in complex with selective nr6 inhibitor compound (see paper)
37% identity, 96% coverage: 20:494/495 of query aligns to 16:488/489 of 7a6qA
- active site: N163 (= N170), E262 (= E268), C296 (= C302), E470 (= E476)
- binding nicotinamide-adenine-dinucleotide: I159 (= I166), T160 (≠ V167), W162 (= W169), K186 (= K193), A188 (≠ S195), E189 (= E196), G219 (= G225), G223 (= G229), S240 (= S246), V243 (≠ T249), K342 (≠ Q348), K346 (= K352)
- binding 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile: G118 (≠ Q119), D141 (≠ G148), N143 (≠ R150), N451 (≠ T457), L453 (= L459), Y454 (≠ D460)
Query Sequence
>AO356_25485 FitnessBrowser__pseudo5_N2C3_1:AO356_25485
MSDIALLPQVEAFLGRRHALFIDGGYVESQSRQTLDVVNPATGQVIAQVSDASPSDIDAA
VESSRRGFKQWSQTAPAVRGHVLLKLADLLERNREELAQIETCQSGKIIHISRAFEVDQA
AHFLRYYAGWATKINGETITPSLPSFAGERYTAFTLREPVGVVVGIVPWNFSTMIAIWKL
ASALVTGCSVIIKPSEFTPLTILRIAELAMEAGLPAGALNVLTGGGQVGKGLIEHPGTNK
VSFTGSVPTGLAVGQAAMGAGLTRATLELGGKNAAGFLRDIDPEVAVNGIIEAGFLHSGQ
ICAAAERFFVHRSQIESIMDKLAQRLSKLTIGSPLDERTEFGPVTNRQHQHKLAEFFAKA
RAQNNTIIHGGKLIDGPGCYVEPTIILANRRDDALLNEETFGPIATFFPYDTEEELLELM
NDTPYGLSASLWTNDLGKALRMVPAIEAGTVWVNMHTLLDPAVPFGGSKSSGVGREFGSA
FIDDYTELKSVMIRY
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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