SitesBLAST
Comparing RR42_RS28050 RR42_RS28050 3-hydroxypropionyl-CoA dehydratase 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)
5zaiC Crystal structure of 3-hydroxypropionyl-coa dehydratase from metallosphaera sedula (see paper)
38% identity, 97% coverage: 9:261/261 of query aligns to 6:256/259 of 5zaiC
- active site: A65 (≠ S68), F70 (= F73), S82 (≠ A92), R86 (= R96), G110 (= G115), E113 (= E118), P132 (= P137), E133 (= E138), I138 (≠ V143), P140 (= P145), G141 (= G146), A226 (≠ P235), F236 (= F241)
- binding coenzyme a: K24 (≠ P26), L25 (= L27), A63 (= A66), G64 (= G67), A65 (≠ S68), D66 (= D69), I67 (= I70), P132 (= P137), R166 (≠ P171), F248 (= F253), K251 (≠ R256)
2hw5C The crystal structure of human enoyl-coenzyme a (coa) hydratase short chain 1, echs1
37% identity, 95% coverage: 14:261/261 of query aligns to 14:257/260 of 2hw5C
- active site: A68 (≠ S68), M73 (≠ F73), S83 (≠ G85), L87 (= L89), G111 (= G115), E114 (= E118), P133 (= P137), E134 (= E138), T139 (≠ V143), P141 (= P145), G142 (= G146), K227 (≠ R231), F237 (= F241)
- binding crotonyl coenzyme a: K26 (≠ P26), A27 (vs. gap), L28 (= L27), A30 (≠ V29), K62 (≠ R62), I70 (= I70), F109 (= F113)
1dubA 2-enoyl-coa hydratase, data collected at 100 k, ph 6.5 (see paper)
37% identity, 94% coverage: 17:261/261 of query aligns to 17:257/260 of 1dubA
- active site: A68 (≠ S68), M73 (≠ F73), S83 (≠ G85), L87 (= L89), G111 (= G115), E114 (= E118), P133 (= P137), E134 (= E138), T139 (≠ V143), P141 (= P145), G142 (= G146), K227 (≠ R231), F237 (= F241)
- binding acetoacetyl-coenzyme a: K26 (≠ P26), A27 (vs. gap), L28 (= L27), A30 (≠ V29), A66 (= A66), A68 (≠ S68), D69 (= D69), I70 (= I70), Y107 (≠ L111), G110 (= G114), G111 (= G115), E114 (= E118), P133 (= P137), E134 (= E138), L137 (= L141), G142 (= G146), F233 (≠ S237), F249 (= F253)
1ey3A Structure of enoyl-coa hydratase complexed with the substrate dac-coa (see paper)
37% identity, 94% coverage: 17:261/261 of query aligns to 15:255/258 of 1ey3A
- active site: A66 (≠ S68), M71 (≠ F73), S81 (≠ G85), L85 (= L89), G109 (= G115), E112 (= E118), P131 (= P137), E132 (= E138), T137 (≠ V143), P139 (= P145), G140 (= G146), K225 (≠ R231), F235 (= F241)
- binding 4-(n,n-dimethylamino)cinnamoyl-coa: K24 (≠ P26), L26 (= L27), A28 (≠ V29), A64 (= A66), G65 (= G67), A66 (≠ S68), D67 (= D69), I68 (= I70), L85 (= L89), W88 (≠ F94), G109 (= G115), P131 (= P137), L135 (= L141), G140 (= G146)
P14604 Enoyl-CoA hydratase, mitochondrial; mECH; mECH1; Enoyl-CoA hydratase 1; ECHS1; Short-chain enoyl-CoA hydratase; SCEH; EC 4.2.1.17; EC 5.3.3.8 from Rattus norvegicus (Rat) (see 3 papers)
37% identity, 94% coverage: 17:261/261 of query aligns to 47:287/290 of P14604
- E144 (= E118) mutation to D: Reduces activity 50-fold.; mutation to Q: Reduces activity 3300-fold.
- E164 (= E138) mutation to D: Reduces activity 1250-fold.; mutation to Q: Reduces activity 330000-fold.
Sites not aligning to the query:
- 1:29 modified: transit peptide, Mitochondrion
1mj3A Crystal structure analysis of rat enoyl-coa hydratase in complex with hexadienoyl-coa (see paper)
36% identity, 94% coverage: 17:261/261 of query aligns to 17:255/258 of 1mj3A
- active site: A68 (≠ S68), M73 (= M77), S83 (≠ L87), L85 (= L89), G109 (= G115), E112 (= E118), P131 (= P137), E132 (= E138), T137 (≠ V143), P139 (= P145), G140 (= G146), K225 (≠ R231), F235 (= F241)
- binding hexanoyl-coenzyme a: K26 (≠ P26), A27 (vs. gap), L28 (= L27), A30 (≠ V29), A66 (= A66), G67 (= G67), A68 (≠ S68), D69 (= D69), I70 (= I70), G109 (= G115), P131 (= P137), E132 (= E138), L135 (= L141), G140 (= G146)
2dubA Enoyl-coa hydratase complexed with octanoyl-coa (see paper)
36% identity, 94% coverage: 17:261/261 of query aligns to 16:251/254 of 2dubA
- active site: A67 (≠ S68), M72 (≠ F73), S82 (≠ A92), G105 (= G115), E108 (= E118), P127 (= P137), E128 (= E138), T133 (≠ V143), P135 (= P145), G136 (= G146), K221 (≠ R231), F231 (= F241)
- binding octanoyl-coenzyme a: K25 (≠ P26), A26 (vs. gap), L27 (= L27), A29 (≠ V29), A65 (= A66), A67 (≠ S68), D68 (= D69), I69 (= I70), K70 (≠ A71), G105 (= G115), E108 (= E118), P127 (= P137), E128 (= E138), G136 (= G146), A137 (≠ S147)
3h81A Crystal structure of enoyl-coa hydratase from mycobacterium tuberculosis (see paper)
36% identity, 94% coverage: 17:261/261 of query aligns to 13:253/256 of 3h81A
- active site: A64 (≠ S68), M69 (≠ F73), T79 (≠ L87), F83 (≠ H91), G107 (= G115), E110 (= E118), P129 (= P137), E130 (= E138), V135 (= V143), P137 (= P145), G138 (= G146), L223 (≠ R231), F233 (= F241)
- binding calcium ion: F233 (= F241), Q238 (≠ A246)
3q0jC Crystal structure of the mycobacterium tuberculosis crotonase in complex with the inhibitor acetoacetylcoa
36% identity, 94% coverage: 17:261/261 of query aligns to 14:254/255 of 3q0jC
- active site: A65 (≠ S68), M70 (≠ F73), T80 (≠ L87), F84 (≠ H91), G108 (= G115), E111 (= E118), P130 (= P137), E131 (= E138), V136 (= V143), P138 (= P145), G139 (= G146), L224 (≠ R231), F234 (= F241)
- binding acetoacetyl-coenzyme a: Q23 (≠ P26), A24 (vs. gap), L25 (= L27), A27 (≠ V29), A63 (= A66), G64 (= G67), A65 (≠ S68), D66 (= D69), I67 (= I70), K68 (≠ A71), M70 (≠ F73), F84 (≠ H91), G107 (= G114), G108 (= G115), E111 (= E118), P130 (= P137), E131 (= E138), P138 (= P145), G139 (= G146), M140 (≠ S147)
3q0gC Crystal structure of the mycobacterium tuberculosis crotonase bound to a reaction intermediate derived from crotonyl coa
36% identity, 94% coverage: 17:261/261 of query aligns to 14:254/255 of 3q0gC
- active site: A65 (≠ S68), M70 (≠ F73), T80 (≠ L87), F84 (≠ H91), G108 (= G115), E111 (= E118), P130 (= P137), E131 (= E138), V136 (= V143), P138 (= P145), G139 (= G146), L224 (≠ R231), F234 (= F241)
- binding coenzyme a: L25 (= L27), A63 (= A66), I67 (= I70), K68 (≠ A71), Y104 (≠ L111), P130 (= P137), E131 (= E138), L134 (= L141)
5jbxB Crystal structure of liuc in complex with coenzyme a and malonic acid (see paper)
36% identity, 97% coverage: 10:261/261 of query aligns to 8:258/261 of 5jbxB
- active site: A67 (≠ S68), R72 (= R74), L84 (≠ K86), R88 (≠ Q90), G112 (= G115), E115 (= E118), T134 (≠ P137), E135 (= E138), I140 (≠ V143), P142 (= P145), G143 (= G146), A228 (≠ R231), L238 (≠ F241)
- binding coenzyme a: S24 (≠ P26), R25 (≠ L27), R26 (vs. gap), A28 (≠ V29), A65 (= A66), D68 (= D69), L69 (≠ I70), K70 (≠ A71), L110 (≠ F113), G111 (= G114), T134 (≠ P137), E135 (= E138), L138 (= L141), R168 (≠ P171)
3q0gD Crystal structure of the mycobacterium tuberculosis crotonase bound to a reaction intermediate derived from crotonyl coa
35% identity, 94% coverage: 17:261/261 of query aligns to 13:249/250 of 3q0gD
- active site: A64 (≠ S68), M69 (≠ F73), T75 (≠ L87), F79 (≠ H91), G103 (= G115), E106 (= E118), P125 (= P137), E126 (= E138), V131 (= V143), P133 (= P145), G134 (= G146), L219 (≠ R231), F229 (= F241)
- binding Butyryl Coenzyme A: F225 (≠ S237), F241 (= F253)
6slbAAA Enoyl-CoA hydratase/carnithine racemase (see paper)
37% identity, 98% coverage: 7:261/261 of query aligns to 3:254/257 of 6slbAAA
- active site: Q64 (≠ S68), F69 (= F73), L80 (= L87), N84 (≠ H91), A108 (≠ G115), S111 (≠ E118), A130 (≠ P137), F131 (≠ E138), L136 (≠ V143), P138 (= P145), D139 (≠ G146), A224 (≠ R231), G234 (≠ F241)
- binding (~{E})-6-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-oxidanylidene-hex-3-enoic acid: R58 (= R62), A62 (= A66), Q64 (≠ S68), D65 (= D69), L66 (≠ I70), Y76 (≠ V83), A108 (≠ G115), F131 (≠ E138), D139 (≠ G146)
6slaAAA Enoyl-CoA hydratase/carnithine racemase (see paper)
37% identity, 95% coverage: 14:261/261 of query aligns to 7:242/245 of 6slaAAA
- active site: Q61 (≠ S68), L68 (= L76), N72 (≠ G80), A96 (≠ G115), S99 (≠ E118), A118 (≠ P137), F119 (≠ E138), L124 (≠ V143), P126 (= P145), N127 (≠ G146), A212 (≠ R231), G222 (≠ F241)
- binding ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-(2,5-dihydrooxepin-7-yl)ethanethioate: L21 (= L27), A59 (= A66), Q61 (≠ S68), D62 (= D69), L63 (≠ I70), L68 (= L76), Y71 (≠ P79), A94 (≠ F113), G95 (= G114), A96 (≠ G115), F119 (≠ E138), I122 (≠ L141), L124 (≠ V143), N127 (≠ G146), F234 (= F253), K237 (≠ R256)
O53561 Enoyl-CoA hydratase EchA19; EC 4.2.1.- from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 2 papers)
34% identity, 100% coverage: 1:261/261 of query aligns to 1:263/266 of O53561
- K135 (≠ R133) modified: N6-succinyllysine; mutation to E: Nearly wild-type levels of succinylation in vitro, reduces specific activity 8-fold.
- 135:142 (vs. 133:140, 38% identical) mutation to EFGISEAE: Very low levels of succinylation in vitro, reduces specific activity 15-fold.
- K142 (= K140) modified: N6-succinyllysine; mutation to E: About 50% succinylation in vitro, reduces specific activity 7-fold.
Q4WF54 Mevalonyl-coenzyme A hydratase sidH; Siderophore biosynthesis protein H; EC 4.2.1.- from Aspergillus fumigatus (strain ATCC MYA-4609 / CBS 101355 / FGSC A1100 / Af293) (Neosartorya fumigata) (see paper)
31% identity, 94% coverage: 17:261/261 of query aligns to 21:265/270 of Q4WF54
Sites not aligning to the query:
- 268:270 PTS1-type peroxisomal targeting signal
6iunB Crystal structure of enoyl-coa hydratase (ech) from ralstonia eutropha h16 in complex with NAD
38% identity, 75% coverage: 10:204/261 of query aligns to 3:189/692 of 6iunB
Sites not aligning to the query:
- active site: 248, 407, 428, 440, 478
- binding nicotinamide-adenine-dinucleotide: 300, 301, 302, 321, 322, 365, 377, 378, 380, 384, 388, 405, 407
Q7CQ56 1,4-dihydroxy-2-naphthoyl-CoA synthase; DHNA-CoA synthase; EC 4.1.3.36 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
34% identity, 96% coverage: 12:261/261 of query aligns to 29:278/285 of Q7CQ56
3h02A 2.15 angstrom resolution crystal structure of naphthoate synthase from salmonella typhimurium.
33% identity, 96% coverage: 12:261/261 of query aligns to 25:259/266 of 3h02A
- active site: G82 (≠ S68), H86 (≠ E72), L90 (= L76), G114 (= G115), V117 (≠ E118), G137 (≠ E138), S142 (≠ V143), D144 (≠ P145), G145 (= G146), A231 (≠ P235), Y239 (≠ F241)
- binding bicarbonate ion: G113 (= G114), Q135 (≠ L136), G137 (≠ E138), W165 (≠ M166)
4elwA Structure of e. Coli. 1,4-dihydroxy-2- naphthoyl coenzyme a synthases (menb) in complex with nitrate (see paper)
32% identity, 96% coverage: 12:261/261 of query aligns to 26:260/267 of 4elwA
- active site: G83 (≠ S68), L91 (= L76), G115 (= G115), V118 (≠ E118), G138 (≠ E138), S143 (≠ V143), D145 (≠ P145), G146 (= G146), A232 (≠ P235), Y240 (≠ F241)
- binding nitrate ion: G114 (= G114), T137 (≠ P137), G138 (≠ E138), F144 (= F144), W166 (≠ M166)
Query Sequence
>RR42_RS28050 RR42_RS28050 3-hydroxypropionyl-CoA dehydratase
MAEISAGPVRCSAKDGIATLTLDNPPLNVVFRGLTEALDRALDALARDPAVRAVVLTGAG
TRAFCAGSDIAEFRPLMRPGQIVPGKLALQHAVFGRLDDFPKPTVAAVNGLAFGGGLEIA
VCCDLIVADETARFALPEIKLGVFPGSGGPVRVTRRVGEGRAKELMFLGEPIDAATALAW
GLVNRVAPPGQALQAALALAATLARRPPLALALCKQAIDLSFDTTEDEAMRQALPLSDRV
FSSKEAQEGVRAFFARETPRF
Or try a new SitesBLAST search
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