SitesBLAST
Comparing Dsui_2228 Dsui_2228 Zn-dependent 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)
1lluA The ternary complex of pseudomonas aeruginosa alcohol dehydrogenase with its coenzyme and weak substrate (see paper)
71% identity, 100% coverage: 1:340/340 of query aligns to 2:341/341 of 1lluA
- active site: C43 (= C42), H44 (= H43), T45 (= T44), H48 (= H47), H66 (= H65), E67 (= E66), C97 (= C96), C100 (= C99), C103 (= C102), C111 (= C110), Q115 (= Q114), C153 (= C152), T157 (= T156), R336 (= R335)
- binding 1,2-ethanediol: H44 (= H43), T45 (= T44), L47 (= L46), D53 (= D52), W92 (= W91), C153 (= C152)
- binding nicotinamide-adenine-dinucleotide: C43 (= C42), H44 (= H43), T45 (= T44), H48 (= H47), C153 (= C152), T157 (= T156), G179 (= G178), G180 (= G179), L181 (= L180), D200 (= D199), I201 (≠ V200), K205 (= K204), A243 (= A242), V244 (= V243), S245 (= S244), A248 (= A247), V265 (= V264), L267 (= L266), I290 (= I289), V291 (= V290), R336 (= R335)
- binding zinc ion: C43 (= C42), H66 (= H65), C100 (= C99), C103 (= C102), C111 (= C110), C153 (= C152)
3s2fE Crystal structure of furx nadh:furfural
68% identity, 99% coverage: 4:340/340 of query aligns to 2:338/340 of 3s2fE
- active site: C40 (= C42), H41 (= H43), T42 (= T44), H45 (= H47), H63 (= H65), E64 (= E66), C94 (= C96), C97 (= C99), C100 (= C102), C108 (= C110), Q112 (= Q114), C150 (= C152), T154 (= T156), R333 (= R335)
- binding furfural: T42 (= T44), W51 (= W53), H63 (= H65), W89 (= W91), C150 (= C152), I287 (= I289)
- binding nicotinamide-adenine-dinucleotide: C40 (= C42), H41 (= H43), T42 (= T44), C150 (= C152), T154 (= T156), G174 (= G176), G176 (= G178), G177 (= G179), L178 (= L180), D197 (= D199), I198 (≠ V200), K202 (= K204), T239 (= T241), A240 (= A242), V241 (= V243), N262 (≠ V264), G263 (= G265), L264 (= L266), I287 (= I289), V288 (= V290), R333 (= R335)
- binding zinc ion: C40 (= C42), H63 (= H65), C94 (= C96), C97 (= C99), C100 (= C102), C108 (= C110), C150 (= C152)
3s2fA Crystal structure of furx nadh:furfural
68% identity, 99% coverage: 4:340/340 of query aligns to 2:338/340 of 3s2fA
- active site: C40 (= C42), H41 (= H43), T42 (= T44), H45 (= H47), H63 (= H65), E64 (= E66), C94 (= C96), C97 (= C99), C100 (= C102), C108 (= C110), Q112 (= Q114), C150 (= C152), T154 (= T156), R333 (= R335)
- binding phosphorylisopropane: T42 (= T44), H63 (= H65), W89 (= W91), I287 (= I289)
- binding zinc ion: C40 (= C42), H63 (= H65), E64 (= E66), C94 (= C96), C97 (= C99), C100 (= C102), C108 (= C110), C150 (= C152)
3s2eE Crystal structure of furx nadh complex 1
68% identity, 99% coverage: 4:340/340 of query aligns to 2:338/340 of 3s2eE
- active site: C40 (= C42), H41 (= H43), T42 (= T44), H45 (= H47), H63 (= H65), E64 (= E66), C94 (= C96), C97 (= C99), C100 (= C102), C108 (= C110), Q112 (= Q114), C150 (= C152), T154 (= T156), R333 (= R335)
- binding nicotinamide-adenine-dinucleotide: C40 (= C42), H41 (= H43), T42 (= T44), C150 (= C152), T154 (= T156), G176 (= G178), G177 (= G179), L178 (= L180), D197 (= D199), I198 (≠ V200), K202 (= K204), T239 (= T241), A240 (= A242), V241 (= V243), S242 (= S244), A245 (= A247), N262 (≠ V264), G263 (= G265), L264 (= L266), I287 (= I289), V288 (= V290)
- binding zinc ion: C40 (= C42), H63 (= H65), C94 (= C96), C97 (= C99), C100 (= C102), C108 (= C110), C150 (= C152)
3s2eA Crystal structure of furx nadh complex 1
68% identity, 99% coverage: 4:340/340 of query aligns to 2:338/340 of 3s2eA
- active site: C40 (= C42), H41 (= H43), T42 (= T44), H45 (= H47), H63 (= H65), E64 (= E66), C94 (= C96), C97 (= C99), C100 (= C102), C108 (= C110), Q112 (= Q114), C150 (= C152), T154 (= T156), R333 (= R335)
- binding zinc ion: C40 (= C42), H63 (= H65), E64 (= E66), C94 (= C96), C97 (= C99), C100 (= C102), C108 (= C110), C150 (= C152)
3meqA Crystal structure of alcohol dehydrogenase from brucella melitensis
67% identity, 99% coverage: 3:340/340 of query aligns to 1:340/341 of 3meqA
- active site: C40 (= C42), H41 (= H43), T42 (= T44), H45 (= H47), H63 (= H65), E64 (= E66), C94 (= C96), C97 (= C99), C100 (= C102), C108 (= C110), L112 (≠ Q114), C150 (= C152), T154 (= T156), R335 (= R335)
- binding 1,4-dihydronicotinamide adenine dinucleotide: C40 (= C42), H41 (= H43), T42 (= T44), H45 (= H47), C150 (= C152), T154 (= T156), G176 (= G178), G177 (= G179), L178 (= L180), D197 (= D199), I198 (≠ V200), K202 (= K204), T241 (= T241), A242 (= A242), V243 (= V243), S244 (= S244), A247 (= A247), N264 (≠ V264), G265 (= G265), L266 (= L266), I289 (= I289), V290 (= V290)
- binding zinc ion: C40 (= C42), H63 (= H65), C94 (= C96), C97 (= C99), C100 (= C102), C108 (= C110), C150 (= C152)
6z42A The low resolution structure of a zinc-dependent alcohol dehydrogenase from halomonas elongata.
69% identity, 99% coverage: 5:340/340 of query aligns to 4:335/336 of 6z42A
- active site: C41 (= C42), T43 (= T44), H46 (= H47), H64 (= H65), C148 (= C152)
- binding zinc ion: C41 (= C42), H64 (= H65), E65 (= E66), C95 (= C96), C98 (= C99), C101 (= C102), C109 (= C110), C148 (= C152)
Q8GIX7 Alcohol dehydrogenase; ADH; EC 1.1.1.1 from Moraxella sp. (strain TAE123) (see paper)
66% identity, 99% coverage: 5:339/340 of query aligns to 1:335/338 of Q8GIX7
- C38 (= C42) binding
- H61 (= H65) binding
- E62 (= E66) binding
- C92 (= C96) binding
- C95 (= C99) binding
- C98 (= C102) binding
- C106 (= C110) binding
- C148 (= C152) binding
4z6kA Alcohol dehydrogenase from the antarctic psychrophile moraxella sp. Tae 123
66% identity, 99% coverage: 5:339/340 of query aligns to 1:335/345 of 4z6kA
- active site: C38 (= C42), H39 (= H43), T40 (= T44), H43 (= H47), H61 (= H65), E62 (= E66), C92 (= C96), C95 (= C99), C98 (= C102), C106 (= C110), Q110 (= Q114), C148 (= C152), T152 (= T156), R331 (= R335)
- binding zinc ion: C38 (= C42), H61 (= H65), C92 (= C96), C95 (= C99), C98 (= C102), C106 (= C110), C148 (= C152)
6n7lC Crystal structure of an alcohol dehydrogenase from elizabethkingia anophelis nuhp1
64% identity, 99% coverage: 3:340/340 of query aligns to 6:342/344 of 6n7lC
- active site: C45 (= C42), T47 (= T44), H50 (= H47), H68 (= H65), C154 (= C152)
- binding nicotinamide-adenine-dinucleotide: C45 (= C42), H46 (= H43), T47 (= T44), H50 (= H47), C154 (= C152), T158 (= T156), G178 (= G176), G180 (= G178), G181 (= G179), L182 (= L180), D201 (= D199), V202 (= V200), K206 (= K204), T243 (= T241), A244 (= A242), V245 (= V243), S246 (= S244), A249 (= A247), N266 (≠ V264), G267 (= G265), L268 (= L266), I291 (= I289), V292 (= V290)
- binding zinc ion: C45 (= C42), H68 (= H65), C98 (= C96), C101 (= C99), C104 (= C102), C112 (= C110), C154 (= C152)
P12311 Alcohol dehydrogenase; ADH-T; EC 1.1.1.1 from Geobacillus stearothermophilus (Bacillus stearothermophilus) (see paper)
60% identity, 99% coverage: 5:340/340 of query aligns to 1:336/337 of P12311
- C38 (= C42) mutation to S: No activity.
- T40 (= T44) mutation to A: No activity.; mutation to S: Little decrease in activity.
- H43 (= H47) mutation to A: No activity.; mutation to R: Higher level of activity at pH 9.
1rjwA Crystal structure of NAD(+)-dependent alcohol dehydrogenase from bacillus stearothermophilus strain lld-r (see paper)
60% identity, 99% coverage: 5:340/340 of query aligns to 1:336/339 of 1rjwA
- active site: C38 (= C42), H39 (= H43), T40 (= T44), H43 (= H47), H61 (= H65), E62 (= E66), C92 (= C96), C95 (= C99), C98 (= C102), C106 (= C110), K110 (≠ Q114), C148 (= C152), T152 (= T156), R331 (= R335)
- binding trifluoroethanol: T40 (= T44), C148 (= C152), I285 (= I289)
- binding zinc ion: C38 (= C42), H61 (= H65), C92 (= C96), C95 (= C99), C98 (= C102), C106 (= C110)
3piiA Crystal structure of mutant of ht- alcohol dehydrogenase with substrate analogue butyramide
59% identity, 99% coverage: 5:340/340 of query aligns to 1:336/337 of 3piiA
- active site: C38 (= C42), H39 (= H43), T40 (= T44), H43 (= H47), H61 (= H65), E62 (= E66), C92 (= C96), C95 (= C99), C98 (= C102), C106 (= C110), K110 (≠ Q114), C148 (= C152), T152 (= T156), R331 (= R335)
- binding butyramide: T40 (= T44), H61 (= H65), W87 (= W91), C148 (= C152)
- binding zinc ion: C38 (= C42), H61 (= H65), E62 (= E66), C92 (= C96), C95 (= C99), C98 (= C102), C106 (= C110), C148 (= C152)
6iqdA Crystal structure of alcohol dehydrogenase from geobacillus stearothermophilus (see paper)
58% identity, 99% coverage: 5:340/340 of query aligns to 1:336/336 of 6iqdA
- active site: C38 (= C42), T40 (= T44), H43 (= H47), H61 (= H65), C148 (= C152)
- binding zinc ion: C38 (= C42), H61 (= H65), E62 (= E66), C92 (= C96), C95 (= C99), C98 (= C102), C106 (= C110), C148 (= C152)
4eezB Crystal structure of lactococcus lactis alcohol dehydrogenase variant re1 (see paper)
46% identity, 99% coverage: 5:340/340 of query aligns to 1:338/342 of 4eezB
- active site: C39 (= C42), H40 (= H43), T41 (= T44), H44 (= H47), H60 (= H65), E61 (= E66), C91 (= C96), C94 (= C99), C97 (= C102), C105 (= C110), K109 (≠ Q114), C147 (= C152), T151 (= T156), R333 (= R335)
- binding zinc ion: C39 (= C42), H60 (= H65), E61 (= E66), C91 (= C96), C94 (= C99), C97 (= C102), C105 (= C110), C147 (= C152)
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)
40% identity, 99% coverage: 3:339/340 of query aligns to 5:345/348 of P00331
Sites not aligning to the query:
- 1 modified: Initiator methionine, Removed
- 2 modified: N-acetylserine
4gkvB Structure of escherichia coli adhp (ethanol-inducible dehydrogenase) with bound NAD (see paper)
45% identity, 99% coverage: 5:340/340 of query aligns to 1:334/336 of 4gkvB
- active site: C37 (= C42), H38 (= H43), T39 (= T44), H42 (= H47), H58 (= H65), E59 (= E66), C89 (= C96), C92 (= C99), C95 (= C102), C103 (= C110), K107 (≠ Q114), C145 (= C152), T149 (= T156), R329 (= R335)
- binding nicotinamide-adenine-dinucleotide: C37 (= C42), H38 (= H43), T39 (= T44), H42 (= H47), C145 (= C152), T149 (= T156), G169 (= G176), G171 (= G178), G172 (= G179), L173 (= L180), D193 (= D199), V194 (= V200), Q198 (≠ K204), T235 (= T241), A236 (= A242), V237 (= V243), V258 (= V264), G259 (= G265), L260 (= L266), L283 (≠ I289), V284 (= V290), R329 (= R335)
- binding zinc ion: C37 (= C42), H58 (= H65), C89 (= C96), C92 (= C99), C95 (= C102), C103 (= C110), C145 (= C152)
- binding : Q223 (= Q229), D247 (≠ G253), R271 (≠ D277), L274 (= L280)
P00332 Alcohol dehydrogenase; EC 1.1.1.1 from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
43% identity, 98% coverage: 7:340/340 of query aligns to 9:348/350 of P00332
- T205 (≠ V200) modified: Phosphothreonine
- T250 (≠ V243) modified: Phosphothreonine
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)
38% identity, 99% coverage: 3:339/340 of query aligns to 5:345/348 of P00330
- C44 (= C42) binding
- H45 (= H43) 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 (= T44) binding ; mutation to S: Has the same pattern of activity as the wild-type enzyme for linear primary alcohols.
- H49 (= H47) binding
- W55 (= W53) mutation to M: Has lowered reactivity with primary and secondary alcohols.
- H67 (= H65) binding
- E68 (= E66) binding in the open conformation
- W93 (= W91) 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 (= C96) binding
- C101 (= C99) binding
- C104 (= C102) binding
- C112 (= C110) binding
- C154 (= C152) binding
- G181 (= G178) binding
- G182 (= G179) binding
- L183 (= L180) binding
- D202 (= D199) binding
- K207 (= K204) binding
- F222 (≠ A219) binding
- T236 (≠ Q231) natural variant: T -> I
- V269 (= V264) binding
- M271 (≠ L266) binding ; mutation to L: Produces a 7 to 10-fold increase in reactivity with butanol, pentanol, and hexanol.
- S294 (= S288) binding
- V296 (= V290) binding
- R341 (= R335) binding
Sites not aligning to the query:
- 1 modified: Initiator methionine, Removed
- 2 modified: N-acetylserine
5envA Yeast alcohol dehydrogenase with bound coenzyme (see paper)
38% identity, 99% coverage: 3:339/340 of query aligns to 4:344/347 of 5envA
- active site: C43 (= C42), H44 (= H43), T45 (= T44), H48 (= H47), H66 (= H65), E67 (= E66), C97 (= C96), C100 (= C99), C103 (= C102), C111 (= C110), D115 (≠ Q114), C153 (= C152), R340 (= R335)
- binding trifluoroethanol: T45 (= T44), W54 (= W53), H66 (= H65), W92 (= W91), C153 (= C152), M270 (≠ L266), Y294 (≠ I289)
- binding nicotinamide-adenine-dinucleotide: H44 (= H43), T45 (= T44), H48 (= H47), T157 (= T156), G177 (= G176), G180 (= G178), G181 (= G179), L182 (= L180), D201 (= D199), K206 (= K204), F221 (≠ A219), S246 (≠ A242), V268 (= V264), G269 (= G265), V295 (= V290)
- binding zinc ion: C43 (= C42), H66 (= H65), C97 (= C96), C100 (= C99), C103 (= C102), C111 (= C110), C153 (= C152)
Query Sequence
>Dsui_2228 Dsui_2228 Zn-dependent alcohol dehydrogenase
MAQMMKAAVVHEFGKPLVIEEVPVPEVPPGQVLVKVVASGVCHTDLHAADGDWPVKPSLP
FIPGHEGVGYVAAVGAGVTHVKEGDRVGVPWLHTACGHCEHCITGWETLCDSQQMTGYTV
NGGYAEYVLADPGYVGKLPDTLEFAPAAPVLCAGVTVYKGLKVLECKPGDWVAISGIGGL
GHMAVQYAKAMGFHVIAVDVADEKLALAKTLGADVTLNAARVDPVAEIQKQIKGAHGILV
TAVSRSAFGQALGMLHKRGTMSLVGLPPGDFGLPIFDVVLNAKTVRGSIVGTRKDLEEAL
AFAGEGKVKTHYSTDRIENINDIFGRMKAGHIDGRIVLNI
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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