SitesBLAST
Comparing Ac3H11_4989 Enoyl-CoA hydratase (EC 4.2.1.17) to proteins with known functional sites using BLASTp with E ≤ 0.001.
Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures
Found 20 (the maximum) hits to proteins with known functional sites (download)
6slbAAA Enoyl-CoA hydratase/carnithine racemase (see paper)
40% identity, 95% coverage: 13:266/266 of query aligns to 5:257/257 of 6slbAAA
- active site: Q64 (≠ G72), F69 (≠ L77), L80 (= L89), N84 (= N93), A108 (= A117), S111 (= S120), A130 (= A139), F131 (≠ Y140), L136 (≠ T145), P138 (≠ C147), D139 (= D148), A224 (= A233), G234 (≠ A243)
- 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 (= R66), A62 (= A70), Q64 (≠ G72), D65 (= D73), L66 (= L74), Y76 (≠ A85), A108 (= A117), F131 (≠ Y140), D139 (= D148)
6slaAAA Enoyl-CoA hydratase/carnithine racemase (see paper)
39% identity, 95% coverage: 13:266/266 of query aligns to 2:245/245 of 6slaAAA
- active site: Q61 (≠ G72), L68 (≠ A79), N72 (≠ Q83), A96 (= A117), S99 (= S120), A118 (= A139), F119 (≠ Y140), L124 (≠ T145), P126 (≠ C147), N127 (≠ D148), A212 (= A233), G222 (≠ A243)
- 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 (= L32), A59 (= A70), Q61 (≠ G72), D62 (= D73), L63 (= L74), L68 (≠ A79), Y71 (≠ V82), A94 (= A115), G95 (= G116), A96 (= A117), F119 (≠ Y140), I122 (≠ L143), L124 (≠ T145), N127 (≠ D148), F234 (= F255), K237 (≠ R258)
5zaiC Crystal structure of 3-hydroxypropionyl-coa dehydratase from metallosphaera sedula (see paper)
32% identity, 94% coverage: 16:266/266 of query aligns to 9:259/259 of 5zaiC
- active site: A65 (≠ G72), F70 (≠ L77), S82 (≠ L89), R86 (≠ N93), G110 (≠ A117), E113 (≠ S120), P132 (≠ A139), E133 (≠ Y140), I138 (≠ T145), P140 (≠ C147), G141 (≠ D148), A226 (= A233), F236 (≠ A243)
- binding coenzyme a: K24 (≠ A31), L25 (= L32), A63 (= A70), G64 (= G71), A65 (≠ G72), D66 (= D73), I67 (≠ L74), P132 (≠ A139), R166 (≠ A173), F248 (= F255), K251 (≠ R258)
1mj3A Crystal structure analysis of rat enoyl-coa hydratase in complex with hexadienoyl-coa (see paper)
31% identity, 94% coverage: 13:263/266 of query aligns to 6:255/258 of 1mj3A
- active site: A68 (≠ G72), M73 (≠ L77), S83 (≠ D87), L85 (= L89), G109 (≠ A117), E112 (≠ S120), P131 (≠ A139), E132 (≠ Y140), T137 (= T145), P139 (≠ C147), G140 (≠ D148), K225 (≠ A233), F235 (≠ A243)
- binding hexanoyl-coenzyme a: K26 (≠ E30), A27 (= A31), L28 (= L32), A30 (= A34), A66 (= A70), G67 (= G71), A68 (≠ G72), D69 (= D73), I70 (≠ L74), G109 (≠ A117), P131 (≠ A139), E132 (≠ Y140), L135 (= L143), G140 (≠ D148)
2dubA Enoyl-coa hydratase complexed with octanoyl-coa (see paper)
31% identity, 94% coverage: 13:263/266 of query aligns to 5:251/254 of 2dubA
- active site: A67 (≠ G72), M72 (≠ L77), S82 (≠ T90), G105 (≠ A117), E108 (≠ S120), P127 (≠ A139), E128 (≠ Y140), T133 (= T145), P135 (≠ C147), G136 (≠ D148), K221 (≠ A233), F231 (≠ A243)
- binding octanoyl-coenzyme a: K25 (≠ E30), A26 (= A31), L27 (= L32), A29 (= A34), A65 (= A70), A67 (≠ G72), D68 (= D73), I69 (≠ L74), K70 (≠ A75), G105 (≠ A117), E108 (≠ S120), P127 (≠ A139), E128 (≠ Y140), G136 (≠ D148), A137 (≠ V149)
1ey3A Structure of enoyl-coa hydratase complexed with the substrate dac-coa (see paper)
30% identity, 94% coverage: 13:263/266 of query aligns to 4:255/258 of 1ey3A
- active site: A66 (≠ G72), M71 (≠ L77), S81 (vs. gap), L85 (= L89), G109 (≠ A117), E112 (≠ S120), P131 (≠ A139), E132 (≠ Y140), T137 (= T145), P139 (≠ C147), G140 (≠ D148), K225 (≠ A233), F235 (≠ A243)
- binding 4-(n,n-dimethylamino)cinnamoyl-coa: K24 (≠ E30), L26 (= L32), A28 (= A34), A64 (= A70), G65 (= G71), A66 (≠ G72), D67 (= D73), I68 (≠ L74), L85 (= L89), W88 (≠ L92), G109 (≠ A117), P131 (≠ A139), L135 (= L143), G140 (≠ D148)
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)
30% identity, 94% coverage: 13:263/266 of query aligns to 36:287/290 of P14604
- E144 (≠ S120) mutation to D: Reduces activity 50-fold.; mutation to Q: Reduces activity 3300-fold.
- E164 (≠ Y140) 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
1dubA 2-enoyl-coa hydratase, data collected at 100 k, ph 6.5 (see paper)
30% identity, 94% coverage: 13:263/266 of query aligns to 6:257/260 of 1dubA
- active site: A68 (≠ G72), M73 (≠ L77), S83 (vs. gap), L87 (= L89), G111 (≠ A117), E114 (≠ S120), P133 (≠ A139), E134 (≠ Y140), T139 (= T145), P141 (≠ C147), G142 (≠ D148), K227 (≠ A233), F237 (≠ A243)
- binding acetoacetyl-coenzyme a: K26 (≠ E30), A27 (= A31), L28 (= L32), A30 (= A34), A66 (= A70), A68 (≠ G72), D69 (= D73), I70 (≠ L74), Y107 (≠ V113), G110 (= G116), G111 (≠ A117), E114 (≠ S120), P133 (≠ A139), E134 (≠ Y140), L137 (= L143), G142 (≠ D148), F233 (= F239), F249 (= F255)
2hw5C The crystal structure of human enoyl-coenzyme a (coa) hydratase short chain 1, echs1
30% identity, 93% coverage: 17:263/266 of query aligns to 13:257/260 of 2hw5C
- active site: A68 (≠ G72), M73 (≠ L77), S83 (≠ D87), L87 (≠ N93), G111 (≠ A117), E114 (≠ S120), P133 (≠ A139), E134 (≠ Y140), T139 (= T145), P141 (≠ C147), G142 (≠ D148), K227 (≠ A233), F237 (≠ A243)
- binding crotonyl coenzyme a: K26 (≠ E30), A27 (= A31), L28 (= L32), A30 (= A34), K62 (≠ R66), I70 (≠ L74), F109 (≠ A115)
3q0gD Crystal structure of the mycobacterium tuberculosis crotonase bound to a reaction intermediate derived from crotonyl coa
31% identity, 94% coverage: 13:263/266 of query aligns to 5:249/250 of 3q0gD
- active site: A64 (≠ G72), M69 (≠ L77), T75 (≠ Q83), F79 (≠ N93), G103 (≠ A117), E106 (≠ S120), P125 (≠ A139), E126 (≠ Y140), V131 (≠ T145), P133 (≠ C147), G134 (≠ D148), L219 (≠ A233), F229 (≠ A243)
- binding Butyryl Coenzyme A: F225 (= F239), F241 (= F255)
3h81A Crystal structure of enoyl-coa hydratase from mycobacterium tuberculosis (see paper)
31% identity, 95% coverage: 13:266/266 of query aligns to 5:256/256 of 3h81A
- active site: A64 (≠ G72), M69 (≠ L77), T79 (≠ L89), F83 (≠ N93), G107 (≠ A117), E110 (≠ S120), P129 (≠ A139), E130 (≠ Y140), V135 (≠ T145), P137 (≠ C147), G138 (≠ D148), L223 (≠ A233), F233 (≠ A243)
- binding calcium ion: F233 (≠ A243), Q238 (≠ F248)
3q0jC Crystal structure of the mycobacterium tuberculosis crotonase in complex with the inhibitor acetoacetylcoa
31% identity, 94% coverage: 13:263/266 of query aligns to 6:254/255 of 3q0jC
- active site: A65 (≠ G72), M70 (≠ L77), T80 (≠ L89), F84 (≠ N93), G108 (≠ A117), E111 (≠ S120), P130 (≠ A139), E131 (≠ Y140), V136 (≠ T145), P138 (≠ C147), G139 (≠ D148), L224 (≠ A233), F234 (≠ A243)
- binding acetoacetyl-coenzyme a: Q23 (≠ E30), A24 (= A31), L25 (= L32), A27 (= A34), A63 (= A70), G64 (= G71), A65 (≠ G72), D66 (= D73), I67 (≠ L74), K68 (≠ A75), M70 (≠ L77), F84 (≠ N93), G107 (= G116), G108 (≠ A117), E111 (≠ S120), P130 (≠ A139), E131 (≠ Y140), P138 (≠ C147), G139 (≠ D148), M140 (≠ V149)
3q0gC Crystal structure of the mycobacterium tuberculosis crotonase bound to a reaction intermediate derived from crotonyl coa
31% identity, 94% coverage: 13:263/266 of query aligns to 6:254/255 of 3q0gC
- active site: A65 (≠ G72), M70 (≠ L77), T80 (≠ L89), F84 (≠ N93), G108 (≠ A117), E111 (≠ S120), P130 (≠ A139), E131 (≠ Y140), V136 (≠ T145), P138 (≠ C147), G139 (≠ D148), L224 (≠ A233), F234 (≠ A243)
- binding coenzyme a: L25 (= L32), A63 (= A70), I67 (≠ L74), K68 (≠ A75), Y104 (≠ V113), P130 (≠ A139), E131 (≠ Y140), L134 (= L143)
3rrvB Crystal structure of an enoyl-coa hydratase/isomerase from mycobacterium paratuberculosis (see paper)
32% identity, 88% coverage: 18:252/266 of query aligns to 13:247/254 of 3rrvB
7borA Structure of pseudomonas aeruginosa coa-bound odaa (see paper)
33% identity, 85% coverage: 15:239/266 of query aligns to 6:228/247 of 7borA
- active site: N63 (≠ G72), F68 (≠ L77), D77 (= D87), G81 (≠ N93), I105 (≠ A117), T108 (≠ S120), F128 (≠ Y140), L133 (≠ T145), P135 (≠ C147), E136 (≠ D148), A222 (= A233)
- binding coenzyme a: D21 (≠ E30), K22 (≠ A31), A25 (= A34), S61 (≠ A70), I65 (≠ L74), V103 (≠ A115), F128 (≠ Y140), L131 (= L143)
Sites not aligning to the query:
3omeC Crystal structure of a probable enoyl-coa hydratase from mycobacterium smegmatis (see paper)
32% identity, 77% coverage: 20:225/266 of query aligns to 13:216/247 of 3omeC
- active site: H65 (≠ G72), E70 (≠ V82), A82 (= A94), L86 (= L98), G110 (≠ A117), L113 (≠ S120), V133 (≠ L138), I138 (≠ L143), G139 (= G144), E142 (≠ C147)
- binding zinc ion: E81 (≠ N93), E142 (≠ C147)
Sites not aligning to the query:
1wdmA Fatty acid beta-oxidation multienzyme complex from pseudomonas fragi, form i (native3) (see paper)
29% identity, 94% coverage: 18:266/266 of query aligns to 14:267/707 of 1wdmA
Sites not aligning to the query:
- active site: 430, 451, 463, 501
- binding acetyl coenzyme *a: 297, 459, 501, 534, 652, 658
- binding nicotinamide-adenine-dinucleotide: 321, 322, 324, 325, 344, 401, 403, 428, 430, 454
1wdlA Fatty acid beta-oxidation multienzyme complex from pseudomonas fragi, form ii (native4) (see paper)
29% identity, 94% coverage: 18:266/266 of query aligns to 14:267/715 of 1wdlA
Sites not aligning to the query:
- active site: 430, 451, 463, 501
- binding nicotinamide-adenine-dinucleotide: 322, 324, 325, 344, 345, 400, 401, 403, 428, 429, 430
P28793 Fatty acid oxidation complex subunit alpha; EC 4.2.1.17; EC 5.1.2.3; EC 5.3.3.8; EC 1.1.1.35 from Pseudomonas fragi (see paper)
29% identity, 94% coverage: 18:266/266 of query aligns to 14:267/715 of P28793
Sites not aligning to the query:
- 297 binding
- 325 binding
- 344 binding
- 401:403 binding
- 408 binding
- 430 binding
- 454 binding
- 501 binding
- 660 binding
Q62651 Delta(3,5)-Delta(2,4)-dienoyl-CoA isomerase, mitochondrial; EC 5.3.3.- from Rattus norvegicus (Rat) (see paper)
27% identity, 87% coverage: 24:254/266 of query aligns to 69:312/327 of Q62651
- D176 (≠ S120) mutation D->A,D: Strongly decreases dienoyl-CoA and trienoyl-CoA isomerase activity.
- E196 (≠ Y140) mutation E->D,Q: Strongly decreases dienoyl-CoA and trienoyl-CoA isomerase activity.
- D204 (= D148) mutation D->A,N: Strongly decreases dienoyl-CoA and trienoyl-CoA isomerase activity.
Query Sequence
>Ac3H11_4989 Enoyl-CoA hydratase (EC 4.2.1.17)
MKNTATTPATPPLLLEREGAIATLRFNRPEALNAIDVPMANAFLAAVQTVAADPAVRAVV
LCGNGRGFMAGGDLATLRADPVQSAIDILTPLNAALLLLAQMNAPVVAQVHGVAAGAGLS
LLLMADYVIAAEGTRLNLAYINLGTSCDVGASWALPRIVGVRQALEIALLGDAFTADDAL
RLGLVNRVVPAAELDSATAALAQRLASGPTLAYGAMKRLMRASMDHTLPEQLAAEKDAFV
HCAGTEDFRAGVEAFHLRQSASFAGR
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