SitesBLAST
Comparing PP_3839 PP_3839 short-chain alcohol dehydrogenase 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)
4gkvB Structure of escherichia coli adhp (ethanol-inducible dehydrogenase) with bound NAD (see paper)
85% identity, 99% coverage: 1:334/336 of query aligns to 1:334/336 of 4gkvB
- active site: C37 (= C37), H38 (= H38), T39 (= T39), H42 (= H42), H58 (= H58), E59 (= E59), C89 (= C89), C92 (= C92), C95 (= C95), C103 (= C103), K107 (= K107), C145 (= C145), T149 (= T149), R329 (= R329)
- binding nicotinamide-adenine-dinucleotide: C37 (= C37), H38 (= H38), T39 (= T39), H42 (= H42), C145 (= C145), T149 (= T149), G169 (= G169), G171 (= G171), G172 (= G172), L173 (= L173), D193 (= D193), V194 (= V194), Q198 (= Q198), T235 (= T235), A236 (= A236), V237 (= V237), V258 (= V258), G259 (= G259), L260 (= L260), L283 (= L283), V284 (= V284), R329 (= R329)
- binding zinc ion: C37 (= C37), H58 (= H58), C89 (= C89), C92 (= C92), C95 (= C95), C103 (= C103), C145 (= C145)
- binding : Q223 (= Q223), D247 (= D247), R271 (= R271), L274 (= L274)
4eezB Crystal structure of lactococcus lactis alcohol dehydrogenase variant re1 (see paper)
62% identity, 99% coverage: 1:334/336 of query aligns to 1:338/342 of 4eezB
- active site: C39 (= C37), H40 (= H38), T41 (= T39), H44 (= H42), H60 (= H58), E61 (= E59), C91 (= C89), C94 (= C92), C97 (= C95), C105 (= C103), K109 (= K107), C147 (= C145), T151 (= T149), R333 (= R329)
- binding zinc ion: C39 (= C37), H60 (= H58), E61 (= E59), C91 (= C89), C94 (= C92), C97 (= C95), C105 (= C103), C147 (= C145)
1rjwA Crystal structure of NAD(+)-dependent alcohol dehydrogenase from bacillus stearothermophilus strain lld-r (see paper)
56% identity, 100% coverage: 1:335/336 of query aligns to 1:337/339 of 1rjwA
- active site: C38 (= C37), H39 (= H38), T40 (= T39), H43 (= H42), H61 (= H58), E62 (= E59), C92 (= C89), C95 (= C92), C98 (= C95), C106 (= C103), K110 (= K107), C148 (= C145), T152 (= T149), R331 (= R329)
- binding trifluoroethanol: T40 (= T39), C148 (= C145), I285 (≠ L283)
- binding zinc ion: C38 (= C37), H61 (= H58), C92 (= C89), C95 (= C92), C98 (= C95), C106 (= C103)
3piiA Crystal structure of mutant of ht- alcohol dehydrogenase with substrate analogue butyramide
55% identity, 100% coverage: 1:335/336 of query aligns to 1:337/337 of 3piiA
- active site: C38 (= C37), H39 (= H38), T40 (= T39), H43 (= H42), H61 (= H58), E62 (= E59), C92 (= C89), C95 (= C92), C98 (= C95), C106 (= C103), K110 (= K107), C148 (= C145), T152 (= T149), R331 (= R329)
- binding butyramide: T40 (= T39), H61 (= H58), W87 (= W84), C148 (= C145)
- binding zinc ion: C38 (= C37), H61 (= H58), E62 (= E59), C92 (= C89), C95 (= C92), C98 (= C95), C106 (= C103), C148 (= C145)
P12311 Alcohol dehydrogenase; ADH-T; EC 1.1.1.1 from Geobacillus stearothermophilus (Bacillus stearothermophilus) (see paper)
53% identity, 100% coverage: 1:335/336 of query aligns to 1:337/337 of P12311
- C38 (= C37) mutation to S: No activity.
- T40 (= T39) mutation to A: No activity.; mutation to S: Little decrease in activity.
- H43 (= H42) mutation to A: No activity.; mutation to R: Higher level of activity at pH 9.
6iqdA Crystal structure of alcohol dehydrogenase from geobacillus stearothermophilus (see paper)
51% identity, 99% coverage: 1:334/336 of query aligns to 1:336/336 of 6iqdA
- active site: C38 (= C37), T40 (= T39), H43 (= H42), H61 (= H58), C148 (= C145)
- binding zinc ion: C38 (= C37), H61 (= H58), E62 (= E59), C92 (= C89), C95 (= C92), C98 (= C95), C106 (= C103), C148 (= C145)
4z6kA Alcohol dehydrogenase from the antarctic psychrophile moraxella sp. Tae 123
46% identity, 99% coverage: 1:334/336 of query aligns to 1:336/345 of 4z6kA
- active site: C38 (= C37), H39 (= H38), T40 (= T39), H43 (= H42), H61 (= H58), E62 (= E59), C92 (= C89), C95 (= C92), C98 (= C95), C106 (= C103), Q110 (≠ K107), C148 (= C145), T152 (= T149), R331 (= R329)
- binding zinc ion: C38 (= C37), H61 (= H58), C92 (= C89), C95 (= C92), C98 (= C95), C106 (= C103), C148 (= C145)
Q8GIX7 Alcohol dehydrogenase; ADH; EC 1.1.1.1 from Moraxella sp. (strain TAE123) (see paper)
46% identity, 99% coverage: 1:334/336 of query aligns to 1:336/338 of Q8GIX7
- C38 (= C37) binding
- H61 (= H58) binding
- E62 (= E59) binding
- C92 (= C89) binding
- C95 (= C92) binding
- C98 (= C95) binding
- C106 (= C103) binding
- C148 (= C145) binding
1lluA The ternary complex of pseudomonas aeruginosa alcohol dehydrogenase with its coenzyme and weak substrate (see paper)
46% identity, 99% coverage: 1:334/336 of query aligns to 6:341/341 of 1lluA
- active site: C43 (= C37), H44 (= H38), T45 (= T39), H48 (= H42), H66 (= H58), E67 (= E59), C97 (= C89), C100 (= C92), C103 (= C95), C111 (= C103), Q115 (≠ K107), C153 (= C145), T157 (= T149), R336 (= R329)
- binding 1,2-ethanediol: H44 (= H38), T45 (= T39), L47 (= L41), D53 (= D47), W92 (= W84), C153 (= C145)
- binding nicotinamide-adenine-dinucleotide: C43 (= C37), H44 (= H38), T45 (= T39), H48 (= H42), C153 (= C145), T157 (= T149), G179 (= G171), G180 (= G172), L181 (= L173), D200 (= D193), I201 (≠ V194), K205 (≠ Q198), A243 (= A236), V244 (= V237), S245 (≠ A238), A248 (= A241), V265 (= V258), L267 (= L260), I290 (≠ L283), V291 (= V284), R336 (= R329)
- binding zinc ion: C43 (= C37), H66 (= H58), C100 (= C92), C103 (= C95), C111 (= C103), C153 (= C145)
6z42A The low resolution structure of a zinc-dependent alcohol dehydrogenase from halomonas elongata.
46% identity, 99% coverage: 1:334/336 of query aligns to 4:335/336 of 6z42A
- active site: C41 (= C37), T43 (= T39), H46 (= H42), H64 (= H58), C148 (= C145)
- binding zinc ion: C41 (= C37), H64 (= H58), E65 (= E59), C95 (= C89), C98 (= C92), C101 (= C95), C109 (= C103), C148 (= C145)
3s2fE Crystal structure of furx nadh:furfural
42% identity, 100% coverage: 1:335/336 of query aligns to 3:339/340 of 3s2fE
- active site: C40 (= C37), H41 (= H38), T42 (= T39), H45 (= H42), H63 (= H58), E64 (= E59), C94 (= C89), C97 (= C92), C100 (= C95), C108 (= C103), Q112 (≠ K107), C150 (= C145), T154 (= T149), R333 (= R329)
- binding furfural: T42 (= T39), W51 (≠ F48), H63 (= H58), W89 (= W84), C150 (= C145), I287 (≠ L283)
- binding nicotinamide-adenine-dinucleotide: C40 (= C37), H41 (= H38), T42 (= T39), C150 (= C145), T154 (= T149), G174 (= G169), G176 (= G171), G177 (= G172), L178 (= L173), D197 (= D193), I198 (≠ V194), K202 (≠ Q198), T239 (= T235), A240 (= A236), V241 (= V237), N262 (≠ V258), G263 (= G259), L264 (= L260), I287 (≠ L283), V288 (= V284), R333 (= R329)
- binding zinc ion: C40 (= C37), H63 (= H58), C94 (= C89), C97 (= C92), C100 (= C95), C108 (= C103), C150 (= C145)
3s2fA Crystal structure of furx nadh:furfural
42% identity, 100% coverage: 1:335/336 of query aligns to 3:339/340 of 3s2fA
- active site: C40 (= C37), H41 (= H38), T42 (= T39), H45 (= H42), H63 (= H58), E64 (= E59), C94 (= C89), C97 (= C92), C100 (= C95), C108 (= C103), Q112 (≠ K107), C150 (= C145), T154 (= T149), R333 (= R329)
- binding phosphorylisopropane: T42 (= T39), H63 (= H58), W89 (= W84), I287 (≠ L283)
- binding zinc ion: C40 (= C37), H63 (= H58), E64 (= E59), C94 (= C89), C97 (= C92), C100 (= C95), C108 (= C103), C150 (= C145)
3s2eE Crystal structure of furx nadh complex 1
42% identity, 100% coverage: 1:335/336 of query aligns to 3:339/340 of 3s2eE
- active site: C40 (= C37), H41 (= H38), T42 (= T39), H45 (= H42), H63 (= H58), E64 (= E59), C94 (= C89), C97 (= C92), C100 (= C95), C108 (= C103), Q112 (≠ K107), C150 (= C145), T154 (= T149), R333 (= R329)
- binding nicotinamide-adenine-dinucleotide: C40 (= C37), H41 (= H38), T42 (= T39), C150 (= C145), T154 (= T149), G176 (= G171), G177 (= G172), L178 (= L173), D197 (= D193), I198 (≠ V194), K202 (≠ Q198), T239 (= T235), A240 (= A236), V241 (= V237), S242 (≠ A238), A245 (= A241), N262 (≠ V258), G263 (= G259), L264 (= L260), I287 (≠ L283), V288 (= V284)
- binding zinc ion: C40 (= C37), H63 (= H58), C94 (= C89), C97 (= C92), C100 (= C95), C108 (= C103), C150 (= C145)
3s2eA Crystal structure of furx nadh complex 1
42% identity, 100% coverage: 1:335/336 of query aligns to 3:339/340 of 3s2eA
- active site: C40 (= C37), H41 (= H38), T42 (= T39), H45 (= H42), H63 (= H58), E64 (= E59), C94 (= C89), C97 (= C92), C100 (= C95), C108 (= C103), Q112 (≠ K107), C150 (= C145), T154 (= T149), R333 (= R329)
- binding zinc ion: C40 (= C37), H63 (= H58), E64 (= E59), C94 (= C89), C97 (= C92), C100 (= C95), C108 (= C103), C150 (= C145)
6n7lC Crystal structure of an alcohol dehydrogenase from elizabethkingia anophelis nuhp1
45% identity, 100% coverage: 1:336/336 of query aligns to 8:344/344 of 6n7lC
- active site: C45 (= C37), T47 (= T39), H50 (= H42), H68 (= H58), C154 (= C145)
- binding nicotinamide-adenine-dinucleotide: C45 (= C37), H46 (= H38), T47 (= T39), H50 (= H42), C154 (= C145), T158 (= T149), G178 (= G169), G180 (= G171), G181 (= G172), L182 (= L173), D201 (= D193), V202 (= V194), K206 (≠ Q198), T243 (= T235), A244 (= A236), V245 (= V237), S246 (≠ A238), A249 (= A241), N266 (≠ V258), G267 (= G259), L268 (= L260), I291 (≠ L283), V292 (= V284)
- binding zinc ion: C45 (= C37), H68 (= H58), C98 (= C89), C101 (= C92), C104 (= C95), C112 (= C103), C154 (= C145)
3meqA Crystal structure of alcohol dehydrogenase from brucella melitensis
41% identity, 99% coverage: 1:334/336 of query aligns to 3:340/341 of 3meqA
- active site: C40 (= C37), H41 (= H38), T42 (= T39), H45 (= H42), H63 (= H58), E64 (= E59), C94 (= C89), C97 (= C92), C100 (= C95), C108 (= C103), L112 (≠ K107), C150 (= C145), T154 (= T149), R335 (= R329)
- binding 1,4-dihydronicotinamide adenine dinucleotide: C40 (= C37), H41 (= H38), T42 (= T39), H45 (= H42), C150 (= C145), T154 (= T149), G176 (= G171), G177 (= G172), L178 (= L173), D197 (= D193), I198 (≠ V194), K202 (≠ Q198), T241 (= T235), A242 (= A236), V243 (= V237), S244 (≠ A238), A247 (= A241), N264 (≠ V258), G265 (= G259), L266 (= L260), I289 (≠ L283), V290 (= V284)
- binding zinc ion: C40 (= C37), H63 (= H58), C94 (= C89), C97 (= C92), C100 (= C95), C108 (= C103), C150 (= C145)
P00331 Alcohol dehydrogenase 2; Alcohol dehydrogenase II; ADHII; YADH-2; EC 1.1.1.1 from Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) (see paper)
38% identity, 91% coverage: 26:332/336 of query aligns to 33:344/348 of P00331
Sites not aligning to the query:
- 1 modified: Initiator methionine, Removed
- 2 modified: N-acetylserine
5envA Yeast alcohol dehydrogenase with bound coenzyme (see paper)
37% identity, 91% coverage: 26:332/336 of query aligns to 32:343/347 of 5envA
- active site: C43 (= C37), H44 (= H38), T45 (= T39), H48 (= H42), H66 (= H58), E67 (= E59), C97 (= C89), C100 (= C92), C103 (= C95), C111 (= C103), D115 (≠ K107), C153 (= C145), R340 (= R329)
- binding trifluoroethanol: T45 (= T39), W54 (≠ F48), H66 (= H58), W92 (= W84), C153 (= C145), M270 (≠ L260), Y294 (≠ L283)
- binding nicotinamide-adenine-dinucleotide: H44 (= H38), T45 (= T39), H48 (= H42), T157 (= T149), G177 (= G169), G180 (= G171), G181 (= G172), L182 (= L173), D201 (= D193), K206 (≠ Q198), F221 (≠ P213), S246 (≠ A236), V268 (= V258), G269 (= G259), V295 (= V284)
- binding zinc ion: C43 (= C37), H66 (= H58), C97 (= C89), C100 (= C92), C103 (= C95), C111 (= C103), C153 (= C145)
4w6zA Yeast alcohol dehydrogenase i, saccharomyces cerevisiae fermentative enzyme (see paper)
37% identity, 91% coverage: 26:332/336 of query aligns to 32:343/347 of 4w6zA
- active site: C43 (= C37), H44 (= H38), T45 (= T39), H48 (= H42), H66 (= H58), E67 (= E59), C97 (= C89), C100 (= C92), C103 (= C95), C111 (= C103), D115 (≠ K107), C153 (= C145), R340 (= R329)
- binding nicotinamide-8-iodo-adenine-dinucleotide: C43 (= C37), H44 (= H38), T45 (= T39), H48 (= H42), W54 (≠ F48), C153 (= C145), T157 (= T149), G177 (= G169), G180 (= G171), G181 (= G172), L182 (= L173), I200 (= I192), D201 (= D193), K206 (≠ Q198), F221 (≠ P213), S246 (≠ A236), S248 (≠ A238), A251 (= A241), V268 (= V258), G269 (= G259), M270 (≠ L260), S293 (= S282), Y294 (≠ L283), V295 (= V284), R340 (= R329)
- binding trifluoroethanol: T45 (= T39), W54 (≠ F48), H66 (= H58), W92 (= W84), C153 (= C145)
- binding zinc ion: C43 (= C37), H66 (= H58), C97 (= C89), C100 (= C92), C103 (= C95), C111 (= C103), C153 (= C145)
P00330 Alcohol dehydrogenase 1; Alcohol dehydrogenase I; ADHI; NADH-dependent methylglyoxal reductase; YADH-1; EC 1.1.1.1; EC 1.1.1.54; EC 1.1.1.78 from Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) (see 6 papers)
37% identity, 91% coverage: 26:332/336 of query aligns to 33:344/348 of P00330
- C44 (= C37) binding
- H45 (= H38) binding ; mutation to R: Decreases dissociation constants by 4-fold for NAD(+) and 2-fold for NADH, while turnover numbers were decreased by 4-fold for ethanol oxidation and 6-fold for acetaldehyde reduction.
- T46 (= T39) binding ; mutation to S: Has the same pattern of activity as the wild-type enzyme for linear primary alcohols.
- H49 (= H42) binding
- W55 (≠ F48) mutation to M: Has lowered reactivity with primary and secondary alcohols.
- H67 (= H58) binding
- E68 (= E59) binding in the open conformation
- W93 (= W84) mutation to A: Has an inverted specificity pattern for primary alcohols, being 3- and 10-fold more active on hexanol and 350- and 540-fold less active on ethanol. Also acquires weak activity on branched chain alcohols and cyclohexanol.
- C98 (= C89) binding
- C101 (= C92) binding
- C104 (= C95) binding
- C112 (= C103) binding
- C154 (= C145) binding
- G181 (= G171) binding
- G182 (= G172) binding
- L183 (= L173) binding
- D202 (= D193) binding
- K207 (≠ Q198) binding
- F222 (≠ P213) binding
- T236 (≠ K225) natural variant: T -> I
- V269 (= V258) binding
- M271 (≠ L260) binding ; mutation to L: Produces a 7 to 10-fold increase in reactivity with butanol, pentanol, and hexanol.
- S294 (= S282) binding
- V296 (= V284) binding
- R341 (= R329) binding
Sites not aligning to the query:
- 1 modified: Initiator methionine, Removed
- 2 modified: N-acetylserine
Query Sequence
>PP_3839 PP_3839 short-chain alcohol dehydrogenase
MKAAVVAPGRRVDVIEKSLRPLEHGEALLKMQCCGVCHTDLHVKNGDFGDKTGVVLGHEG
IGVVQEVGPGVTSLKPGDRASVAWFYQGCGHCEYCNSGNETLCRDVKNSGYTVDGGMAEA
CIVKADYSVKVPDGLDSAAASSITCAGVTTYKAVKISNVRPGQWIAIYGLGGLGNLALQY
AKNVFNAKVIAIDVNEEQLRFASEMGADLVVNPLNEDAAKVIQAKTGGAHAAVVTAVAKG
AFNSAVDALRAGGRLVAVGLPSESMDLNIPRLVLDGIEVVGSLVGTRQDLQEAFQFAAEG
KVVPKVTLRPIEDINQIFDEMLEGKIKGRMVIQFEG
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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