SitesBLAST
Comparing Ac3H11_2748 Putative short-chain dehydrogenase/reductase (EC 1.1.1.100) 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)
5jy1A Crystal structure of putative short-chain dehydrogenase/reductase from burkholderia xenovorans lb400 bound to NAD
70% identity, 100% coverage: 1:266/266 of query aligns to 1:266/266 of 5jy1A
- active site: G17 (= G17), S143 (= S143), H153 (= H153), Y156 (= Y156), K160 (= K160), P201 (= P201)
- binding nicotinamide-adenine-dinucleotide: G13 (= G13), G17 (= G17), I18 (= I18), E37 (= E37), I38 (≠ L38), T62 (= T62), D63 (= D63), V64 (= V64), N90 (= N90), A91 (= A91), F92 (= F92), V93 (= V93), S143 (= S143), Y156 (= Y156), K160 (= K160), P186 (= P186), T187 (= T187), A188 (= A188), A191 (= A191)
4nbuB Crystal structure of fabg from bacillus sp (see paper)
37% identity, 94% coverage: 1:251/266 of query aligns to 2:244/244 of 4nbuB
- active site: G18 (= G17), N111 (≠ T115), S139 (= S143), Q149 (≠ H153), Y152 (= Y156), K156 (= K160)
- binding acetoacetyl-coenzyme a: D93 (≠ E96), K98 (≠ E101), S139 (= S143), N146 (≠ A150), V147 (≠ W151), Q149 (≠ H153), Y152 (= Y156), F184 (≠ A191), M189 (≠ L196), K200 (≠ R206)
- binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G13), N17 (≠ G16), G18 (= G17), I19 (= I18), D38 (≠ E37), F39 (≠ L38), V59 (≠ T62), D60 (= D63), V61 (= V64), N87 (= N90), A88 (= A91), G89 (≠ F92), I90 (≠ V93), T137 (≠ F141), S139 (= S143), Y152 (= Y156), K156 (= K160), P182 (= P186), F184 (≠ A191), T185 (= T192), T187 (≠ H194), M189 (≠ L196)
6ixmC Crystal structure of the ketone reductase chkred20 from the genome of chryseobacterium sp. Ca49 complexed with NAD (see paper)
35% identity, 93% coverage: 2:248/266 of query aligns to 1:244/248 of 6ixmC
- active site: G16 (= G17), S142 (= S143), Y155 (= Y156), K159 (= K160)
- binding nicotinamide-adenine-dinucleotide: G12 (= G13), S15 (≠ G16), G16 (= G17), I17 (= I18), D36 (≠ E37), I37 (≠ L38), A61 (≠ T62), D62 (= D63), T63 (≠ V64), N89 (= N90), A90 (= A91), M140 (≠ F141), S142 (= S143), Y155 (= Y156), K159 (= K160), P185 (= P186), A186 (≠ T187), Y187 (≠ A188), I188 (≠ M189), L192 (≠ F193)
7wbcA Hydroxysteroid dehydrogenase wild-type complexed with NAD+ and (4s)-2- 2-methyl-2,4-pentanediol
36% identity, 92% coverage: 4:248/266 of query aligns to 3:245/250 of 7wbcA
- binding calcium ion: Y115 (≠ W117), P116 (≠ A118), H119 (≠ W121)
- binding nicotinamide-adenine-dinucleotide: G12 (= G13), G16 (= G17), I17 (= I18), D36 (≠ E37), V37 (≠ L38), A61 (≠ T62), D62 (= D63), I63 (≠ V64), N89 (= N90), F138 (= F141), S140 (= S143), Y153 (= Y156), K157 (= K160), P183 (= P186), F184 (≠ T187), A185 (= A188), T187 (≠ G190), G189 (≠ T192), V190 (≠ F193)
7tzpG Crystal structure of putataive short-chain dehydrogenase/reductase (fabg) from klebsiella pneumoniae subsp. Pneumoniae ntuh-k2044 in complex with nadh (see paper)
36% identity, 93% coverage: 4:251/266 of query aligns to 6:247/247 of 7tzpG
- binding 1,4-dihydronicotinamide adenine dinucleotide: G15 (= G13), R18 (≠ G16), G19 (= G17), I20 (= I18), D39 (≠ E37), R40 (≠ L38), C63 (≠ T62), I65 (≠ V64), N91 (= N90), G93 (≠ F92), I94 (≠ V93), V114 (≠ S114), Y155 (= Y156), K159 (= K160), I188 (≠ T192), T190 (≠ H194), T193 (≠ A197)
4wecA Crystal structure of a short chain dehydrogenase from mycobacterium smegmatis
36% identity, 92% coverage: 4:249/266 of query aligns to 8:250/258 of 4wecA
- active site: G21 (= G17), S143 (= S143), Q154 (≠ H153), Y157 (= Y156), K161 (= K160)
- binding nicotinamide-adenine-dinucleotide: G17 (= G13), A19 (≠ G15), S20 (≠ G16), G21 (= G17), I22 (= I18), D41 (≠ E37), I42 (≠ L38), V61 (≠ T62), D62 (= D63), V63 (= V64), N89 (= N90), T141 (≠ F141), Y157 (= Y156), K161 (= K160), P187 (= P186), P189 (≠ A188), V190 (≠ M189)
Q5P5I4 (S)-1-Phenylethanol dehydrogenase; EC 1.1.1.311 from Aromatoleum aromaticum (strain EbN1) (Azoarcus sp. (strain EbN1)) (see 2 papers)
37% identity, 92% coverage: 4:249/266 of query aligns to 5:246/249 of Q5P5I4
Sites not aligning to the query:
- 1 modified: Initiator methionine, Removed
2ewmB Crystal structure of the (s)-specific 1-phenylethanol dehydrogenase of the denitrifying bacterium strain ebn1 (see paper)
37% identity, 92% coverage: 4:249/266 of query aligns to 3:244/247 of 2ewmB
- active site: G16 (= G17), S139 (= S143), Y149 (≠ W151), Y152 (= Y156), K156 (= K160)
- binding nicotinamide-adenine-dinucleotide: G12 (= G13), N15 (≠ G16), G16 (= G17), I17 (= I18), D36 (≠ E37), L37 (= L38), C59 (≠ T62), D60 (= D63), V61 (= V64), N87 (= N90), S139 (= S143), Y152 (= Y156), K156 (= K160), P182 (= P186), S183 (≠ T187), L184 (≠ A188), V185 (≠ M189), T189 (≠ F193)
7do7A Crystal structure of azotobacter vinelandii l-rhamnose 1- dehydrogenase(NAD and l-rhamnose bound-form) (see paper)
35% identity, 94% coverage: 3:251/266 of query aligns to 2:253/256 of 7do7A
- active site: G16 (= G17), S146 (= S143), Y159 (= Y156)
- binding nicotinamide-adenine-dinucleotide: G12 (= G13), R15 (≠ G16), G16 (= G17), I17 (= I18), S37 (≠ L38), D66 (= D63), A67 (≠ V64), N93 (= N90), A94 (= A91), G95 (≠ F92), I96 (≠ V93), V144 (≠ F141), S145 (≠ T142), S146 (= S143), Y159 (= Y156), K163 (= K160), P189 (= P186), G190 (≠ T187), I192 (≠ M189), T194 (≠ A191), I196 (≠ F193)
- binding beta-L-rhamnopyranose: F99 (≠ E96), S146 (= S143), S148 (≠ D145), Q156 (≠ H153), Y159 (= Y156), N197 (≠ H194), D235 (≠ E233), M236 (= M234), R238 (= R236)
7b81A Crystal structure of azotobacter vinelandii l-rhamnose 1-dehydrogenase (NAD bound-form) (see paper)
35% identity, 94% coverage: 3:251/266 of query aligns to 2:253/256 of 7b81A
- active site: G16 (= G17), S146 (= S143), Y159 (= Y156)
- binding nicotinamide-adenine-dinucleotide: G12 (= G13), S14 (≠ G15), R15 (≠ G16), I17 (= I18), D66 (= D63), A67 (≠ V64), N93 (= N90), A94 (= A91), G95 (≠ F92), I96 (≠ V93), T116 (≠ S114), V144 (≠ F141), S146 (= S143), Y159 (= Y156), K163 (= K160), P189 (= P186), G190 (≠ T187), I192 (≠ M189), T194 (≠ A191), I196 (≠ F193)
7djsD Crystal structure of isopiperitenol dehydrogenase from pseudomonas aeruginosa complexed with NAD
36% identity, 92% coverage: 3:248/266 of query aligns to 2:247/251 of 7djsD
- binding nicotinamide-adenine-dinucleotide: G12 (= G13), G16 (= G17), I17 (= I18), D36 (≠ E37), L37 (= L38), C61 (≠ T62), D62 (= D63), V63 (= V64), N89 (= N90), A90 (= A91), T140 (≠ F141), S142 (= S143), Y155 (= Y156), K159 (= K160), A186 (≠ T187), V187 (≠ A188)
4urfB Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
36% identity, 92% coverage: 3:248/266 of query aligns to 2:244/248 of 4urfB
- active site: G16 (= G17), S142 (= S143), I152 (≠ H153), Y155 (= Y156), K159 (= K160)
- binding 3-pyridinium-1-ylpropane-1-sulfonate: L210 (≠ M213), R211 (≠ G214), R212 (= R215)
- binding bicarbonate ion: I92 (≠ V93), G94 (≠ S95), R109 (= R110), R179 (≠ T180), S228 (= S232)
- binding nicotinamide-adenine-dinucleotide: G12 (= G13), G14 (= G15), N15 (≠ G16), G16 (= G17), I17 (= I18), D36 (≠ E37), I37 (≠ L38), D62 (= D63), T63 (≠ V64), N89 (= N90), A90 (= A91), G91 (≠ F92), I140 (≠ F141), Y155 (= Y156), K159 (= K160), P185 (= P186), A186 (≠ T187), I188 (≠ M189), T190 (≠ A191)
4urfA Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
36% identity, 92% coverage: 3:248/266 of query aligns to 2:244/248 of 4urfA
- active site: G16 (= G17), S142 (= S143), I152 (≠ H153), Y155 (= Y156), K159 (= K160)
- binding 3-pyridinium-1-ylpropane-1-sulfonate: I92 (≠ V93), S93 (≠ P94), G94 (≠ S95), E95 (= E96), T97 (≠ V98), E101 (≠ D102), T103 (= T104), Q106 (≠ M107), R109 (= R110), S175 (≠ R176), G177 (≠ N178)
- binding magnesium ion: S237 (≠ I241), Y238 (≠ T242)
- binding nicotinamide-adenine-dinucleotide: G12 (= G13), G14 (= G15), N15 (≠ G16), G16 (= G17), I17 (= I18), D36 (≠ E37), I37 (≠ L38), W41 (≠ T42), D62 (= D63), T63 (≠ V64), N89 (= N90), A90 (= A91), G91 (≠ F92), I140 (≠ F141), Y155 (= Y156), K159 (= K160), P185 (= P186), I188 (≠ M189), T190 (≠ A191)
4ureB Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
36% identity, 92% coverage: 3:248/266 of query aligns to 2:244/248 of 4ureB
- active site: G16 (= G17), S142 (= S143), I152 (≠ H153), Y155 (= Y156), K159 (= K160)
- binding 3-pyridinium-1-ylpropane-1-sulfonate: N15 (≠ G16), G16 (= G17), I17 (= I18), N89 (= N90), G91 (≠ F92), Y155 (= Y156), P185 (= P186), A186 (≠ T187)
7x5jC Acp-dependent oxoacyl reductase
33% identity, 93% coverage: 4:251/266 of query aligns to 2:253/256 of 7x5jC
- binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G13), S13 (≠ G15), G15 (= G17), L16 (≠ I18), N36 (≠ L38), R37 (≠ D39), N38 (≠ P40), D62 (= D63), V63 (= V64), N89 (= N90), A90 (= A91), A91 (vs. gap), V114 (≠ S114), I141 (≠ F141), Y156 (= Y156), K160 (= K160), L186 (≠ P186), G187 (≠ T187), V188 (≠ A188), R194 (vs. gap), S197 (≠ A191), S198 (≠ T192)
3op4A Crystal structure of putative 3-ketoacyl-(acyl-carrier-protein) reductase from vibrio cholerae o1 biovar eltor str. N16961 in complex with NADP+ (see paper)
36% identity, 93% coverage: 4:251/266 of query aligns to 6:246/247 of 3op4A
- binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), S17 (≠ G15), R18 (≠ G16), I20 (= I18), T40 (≠ D39), N62 (≠ D63), V63 (= V64), N89 (= N90), A90 (= A91), I92 (≠ V93), V139 (≠ F141), S141 (= S143), Y154 (= Y156), K158 (= K160), P184 (= P186), G185 (≠ T187), I187 (≠ M189), T189 (≠ A191), M191 (≠ F193)
7do6A Crystal structure of azotobacter vinelandii l-rhamnose 1- dehydrogenase(NADP bound-form) (see paper)
36% identity, 94% coverage: 3:251/266 of query aligns to 2:244/247 of 7do6A
- active site: G16 (= G17), S146 (= S143), Y159 (= Y156)
- binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ G15), R15 (≠ G16), G16 (= G17), I17 (= I18), H36 (≠ E37), S37 (≠ L38), G42 (= G43), D66 (= D63), A67 (≠ V64), N93 (= N90), A94 (= A91), G95 (vs. gap), I96 (≠ F92), T116 (≠ S114), S146 (= S143), Y159 (= Y156), K163 (= K160), I192 (≠ M189)
4fn4A Short-chain NAD(h)-dependent dehydrogenase/reductase from sulfolobus acidocaldarius (see paper)
35% identity, 92% coverage: 4:249/266 of query aligns to 5:251/254 of 4fn4A
- active site: G18 (= G17), S144 (= S143), Y157 (= Y156), K161 (= K160), S202 (vs. gap)
- binding nicotinamide-adenine-dinucleotide: G14 (= G13), S17 (≠ G16), G18 (= G17), I19 (= I18), E38 (= E37), L39 (= L38), R43 (≠ T42), A63 (≠ T62), D64 (= D63), V65 (= V64), N91 (= N90), G93 (≠ F92), I94 (≠ V93), T142 (≠ F141), S144 (= S143), Y157 (= Y156), K161 (= K160), P187 (= P186), V190 (≠ M189), T192 (≠ A191), N193 (≠ T192), I194 (≠ F193)
4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
36% identity, 93% coverage: 4:251/266 of query aligns to 6:242/243 of 4i08A
- active site: G19 (= G17), N113 (≠ T111), S141 (= S143), Q151 (≠ H153), Y154 (= Y156), K158 (= K160)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), S17 (≠ G15), R18 (≠ G16), I20 (= I18), T40 (≠ D39), N62 (≠ D63), V63 (= V64), N89 (= N90), A90 (= A91), G140 (≠ T142), S141 (= S143), Y154 (= Y156), K158 (= K160), P184 (= P186), G185 (≠ T187), T189 (≠ A191)
3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
34% identity, 92% coverage: 7:251/266 of query aligns to 2:239/239 of 3sj7A
- active site: G12 (= G17), S138 (= S143), Q148 (≠ H153), Y151 (= Y156), K155 (= K160)
- binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G13), S10 (≠ G15), R11 (≠ G16), I13 (= I18), N31 (≠ A36), Y32 (≠ E37), A33 (≠ L38), G34 (≠ D39), S35 (≠ P40), A58 (≠ T62), N59 (≠ D63), V60 (= V64), N86 (= N90), A87 (= A91), T109 (≠ S114), S138 (= S143), Y151 (= Y156), K155 (= K160), P181 (= P186), G182 (= G190)
Query Sequence
>Ac3H11_2748 Putative short-chain dehydrogenase/reductase (EC 1.1.1.100)
MGLLKDKVALITGAGGGIGRGIARCYAREGAAVLIAELDPVTGAEAEAELQQMGARALFV
PTDVLRKDSVEAAIQAAADSFGGLDILINNAFVPSENVLLEDKTDAMLERTLTSTVWASW
WAMRAALPHMRARGGGRIINFTSIDVDIGAWQHADYNTGKSGVVGLTRSAAAEWGRFNIT
CNAIAPTAMGATFHKLAAEIPGFAERSAAARPMGRSGDPELDIGPVAVFLGSEMARFVTG
ITMHVDGGLHLPGYNSRPAHVPVREY
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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