SitesBLAST
Comparing 3608351 Dshi_1753 Enoyl-CoA hydratase/isomerase (RefSeq) 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)
6slbAAA Enoyl-CoA hydratase/carnithine racemase (see paper)
43% identity, 96% coverage: 11:258/258 of query aligns to 10:257/257 of 6slbAAA
- active site: Q64 (= Q63), F69 (vs. gap), L80 (= L80), N84 (≠ V85), A108 (= A109), S111 (≠ N112), A130 (= A131), F131 (= F132), L136 (= L137), P138 (= P139), D139 (= D140), A224 (= A225), G234 (= G235)
- 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 (= R57), A62 (≠ S61), Q64 (= Q63), D65 (= D64), L66 (= L65), Y76 (≠ L76), A108 (= A109), F131 (= F132), D139 (= D140)
6slaAAA Enoyl-CoA hydratase/carnithine racemase (see paper)
41% identity, 96% coverage: 11:258/258 of query aligns to 7:245/245 of 6slaAAA
- active site: Q61 (= Q63), L68 (= L74), N72 (≠ V85), A96 (= A109), S99 (≠ N112), A118 (= A131), F119 (= F132), L124 (= L137), P126 (= P139), N127 (≠ D140), A212 (= A225), G222 (= G235)
- 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 (≠ M25), A59 (≠ S61), Q61 (= Q63), D62 (= D64), L63 (= L65), L68 (= L74), Y71 (= Y84), A94 (= A107), G95 (= G108), A96 (= A109), F119 (= F132), I122 (= I135), L124 (= L137), N127 (≠ D140), F234 (= F247), K237 (= K250)
5zaiC Crystal structure of 3-hydroxypropionyl-coa dehydratase from metallosphaera sedula (see paper)
35% identity, 100% coverage: 1:258/258 of query aligns to 1:259/259 of 5zaiC
- active site: A65 (≠ Q63), F70 (vs. gap), S82 (≠ E77), R86 (= R81), G110 (≠ A109), E113 (≠ N112), P132 (≠ A131), E133 (≠ F132), I138 (≠ L137), P140 (= P139), G141 (≠ D140), A226 (= A225), F236 (≠ G235)
- binding coenzyme a: K24 (≠ V24), L25 (≠ M25), A63 (≠ S61), G64 (= G62), A65 (≠ Q63), D66 (= D64), I67 (≠ L65), P132 (≠ A131), R166 (≠ K165), F248 (= F247), K251 (= K250)
3q0jC Crystal structure of the mycobacterium tuberculosis crotonase in complex with the inhibitor acetoacetylcoa
32% identity, 99% coverage: 1:255/258 of query aligns to 1:254/255 of 3q0jC
- active site: A65 (≠ Q63), M70 (≠ R68), T80 (≠ R81), F84 (≠ V85), G108 (≠ A109), E111 (≠ N112), P130 (≠ A131), E131 (≠ F132), V136 (≠ L137), P138 (= P139), G139 (≠ D140), L224 (≠ A225), F234 (≠ G235)
- binding acetoacetyl-coenzyme a: Q23 (≠ D23), A24 (≠ V24), L25 (≠ M25), A27 (= A27), A63 (≠ S61), G64 (= G62), A65 (≠ Q63), D66 (= D64), I67 (≠ L65), K68 (≠ G66), M70 (≠ R68), F84 (≠ V85), G107 (= G108), G108 (≠ A109), E111 (≠ N112), P130 (≠ A131), E131 (≠ F132), P138 (= P139), G139 (≠ D140), M140 (≠ A141)
3q0gC Crystal structure of the mycobacterium tuberculosis crotonase bound to a reaction intermediate derived from crotonyl coa
32% identity, 99% coverage: 1:255/258 of query aligns to 1:254/255 of 3q0gC
- active site: A65 (≠ Q63), M70 (≠ R68), T80 (≠ R81), F84 (≠ V85), G108 (≠ A109), E111 (≠ N112), P130 (≠ A131), E131 (≠ F132), V136 (≠ L137), P138 (= P139), G139 (≠ D140), L224 (≠ A225), F234 (≠ G235)
- binding coenzyme a: L25 (≠ M25), A63 (≠ S61), I67 (≠ L65), K68 (≠ G66), Y104 (≠ P105), P130 (≠ A131), E131 (≠ F132), L134 (≠ I135)
3h81A Crystal structure of enoyl-coa hydratase from mycobacterium tuberculosis (see paper)
32% identity, 100% coverage: 2:258/258 of query aligns to 1:256/256 of 3h81A
- active site: A64 (≠ Q63), M69 (≠ R68), T79 (≠ R81), F83 (≠ V85), G107 (≠ A109), E110 (≠ N112), P129 (≠ A131), E130 (≠ F132), V135 (≠ L137), P137 (= P139), G138 (≠ D140), L223 (≠ A225), F233 (≠ G235)
- binding calcium ion: F233 (≠ G235), Q238 (≠ F240)
3q0gD Crystal structure of the mycobacterium tuberculosis crotonase bound to a reaction intermediate derived from crotonyl coa
32% identity, 98% coverage: 2:255/258 of query aligns to 1:249/250 of 3q0gD
- active site: A64 (≠ Q63), M69 (≠ R68), T75 (≠ N73), F79 (≠ V85), G103 (≠ A109), E106 (≠ N112), P125 (≠ A131), E126 (≠ F132), V131 (≠ L137), P133 (= P139), G134 (≠ D140), L219 (≠ A225), F229 (≠ G235)
- binding Butyryl Coenzyme A: F225 (≠ Q231), F241 (= F247)
2hw5C The crystal structure of human enoyl-coenzyme a (coa) hydratase short chain 1, echs1
33% identity, 93% coverage: 16:256/258 of query aligns to 19:258/260 of 2hw5C
- active site: A68 (≠ Q63), M73 (≠ R68), S83 (≠ R81), L87 (≠ V85), G111 (≠ A109), E114 (≠ N112), P133 (≠ A131), E134 (≠ F132), T139 (≠ L137), P141 (= P139), G142 (≠ D140), K227 (≠ A225), F237 (≠ G235)
- binding crotonyl coenzyme a: K26 (≠ D23), A27 (≠ V24), L28 (≠ M25), A30 (= A27), K62 (≠ R57), I70 (≠ L65), F109 (≠ A107)
1mj3A Crystal structure analysis of rat enoyl-coa hydratase in complex with hexadienoyl-coa (see paper)
33% identity, 93% coverage: 16:256/258 of query aligns to 19:256/258 of 1mj3A
- active site: A68 (≠ Q63), M73 (≠ R68), S83 (≠ V85), L85 (≠ M87), G109 (≠ A109), E112 (≠ N112), P131 (≠ A131), E132 (≠ F132), T137 (≠ L137), P139 (= P139), G140 (≠ D140), K225 (≠ A225), F235 (≠ G235)
- binding hexanoyl-coenzyme a: K26 (≠ D23), A27 (≠ V24), L28 (≠ M25), A30 (= A27), A66 (≠ S61), G67 (= G62), A68 (≠ Q63), D69 (= D64), I70 (≠ L65), G109 (≠ A109), P131 (≠ A131), E132 (≠ F132), L135 (≠ I135), G140 (≠ D140)
1dubA 2-enoyl-coa hydratase, data collected at 100 k, ph 6.5 (see paper)
32% identity, 93% coverage: 16:256/258 of query aligns to 19:258/260 of 1dubA
- active site: A68 (≠ Q63), M73 (≠ R68), S83 (≠ V85), L87 (≠ R89), G111 (≠ A109), E114 (≠ N112), P133 (≠ A131), E134 (≠ F132), T139 (≠ L137), P141 (= P139), G142 (≠ D140), K227 (≠ A225), F237 (≠ G235)
- binding acetoacetyl-coenzyme a: K26 (≠ D23), A27 (≠ V24), L28 (≠ M25), A30 (= A27), A66 (≠ S61), A68 (≠ Q63), D69 (= D64), I70 (≠ L65), Y107 (≠ P105), G110 (= G108), G111 (≠ A109), E114 (≠ N112), P133 (≠ A131), E134 (≠ F132), L137 (≠ I135), G142 (≠ D140), F233 (≠ Q231), F249 (= F247)
1ey3A Structure of enoyl-coa hydratase complexed with the substrate dac-coa (see paper)
32% identity, 93% coverage: 16:256/258 of query aligns to 17:256/258 of 1ey3A
- active site: A66 (≠ Q63), M71 (≠ R68), S81 (≠ V85), L85 (≠ R89), G109 (≠ A109), E112 (≠ N112), P131 (≠ A131), E132 (≠ F132), T137 (≠ L137), P139 (= P139), G140 (≠ D140), K225 (≠ A225), F235 (≠ G235)
- binding 4-(n,n-dimethylamino)cinnamoyl-coa: K24 (≠ D23), L26 (≠ M25), A28 (= A27), A64 (≠ S61), G65 (= G62), A66 (≠ Q63), D67 (= D64), I68 (≠ L65), L85 (≠ R89), W88 (≠ F92), G109 (≠ A109), P131 (≠ A131), L135 (≠ I135), G140 (≠ D140)
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)
32% identity, 93% coverage: 16:256/258 of query aligns to 49:288/290 of P14604
- E144 (≠ N112) mutation to D: Reduces activity 50-fold.; mutation to Q: Reduces activity 3300-fold.
- E164 (≠ F132) 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
5jbxB Crystal structure of liuc in complex with coenzyme a and malonic acid (see paper)
34% identity, 93% coverage: 18:258/258 of query aligns to 19:261/261 of 5jbxB
- active site: A67 (≠ Q63), R72 (= R68), L84 (≠ R81), R88 (≠ V85), G112 (≠ A109), E115 (≠ N112), T134 (≠ A131), E135 (≠ F132), I140 (≠ L137), P142 (= P139), G143 (≠ D140), A228 (= A225), L238 (≠ G235)
- binding coenzyme a: S24 (≠ D23), R25 (≠ V24), R26 (≠ M25), A28 (= A27), A65 (≠ S61), D68 (= D64), L69 (= L65), K70 (≠ G66), L110 (≠ A107), G111 (= G108), T134 (≠ A131), E135 (≠ F132), L138 (≠ I135), R168 (≠ K165)
2dubA Enoyl-coa hydratase complexed with octanoyl-coa (see paper)
33% identity, 93% coverage: 16:256/258 of query aligns to 18:252/254 of 2dubA
- active site: A67 (≠ Q63), M72 (≠ R68), S82 (≠ P86), G105 (≠ A109), E108 (≠ N112), P127 (≠ A131), E128 (≠ F132), T133 (≠ L137), P135 (= P139), G136 (≠ D140), K221 (≠ A225), F231 (≠ G235)
- binding octanoyl-coenzyme a: K25 (≠ D23), A26 (≠ V24), L27 (≠ M25), A29 (= A27), A65 (≠ S61), A67 (≠ Q63), D68 (= D64), I69 (≠ L65), K70 (≠ G66), G105 (≠ A109), E108 (≠ N112), P127 (≠ A131), E128 (≠ F132), G136 (≠ D140), A137 (= A141)
5dufA Crystal structure of m. Tuberculosis echa6 bound to ligand gsk729a (see paper)
33% identity, 98% coverage: 4:257/258 of query aligns to 2:244/245 of 5dufA
- active site: A62 (≠ Q63), D67 (≠ R68), P74 (≠ D75), I78 (≠ V85), A102 (= A109), Q105 (≠ N112), P124 (≠ A131), T125 (≠ F132), L130 (= L137), L132 (≠ P139), D133 (= D140), P212 (≠ A225), W222 (≠ G235)
- binding (5R,7S)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxylic acid: L77 (≠ Y84), I78 (≠ V85), H81 (≠ L88), D85 (≠ F92), Q105 (≠ N112), D133 (= D140), W135 (≠ G142)
5ducA Crystal structure of m. Tuberculosis echa6 bound to ligand gsk951a (see paper)
33% identity, 98% coverage: 4:257/258 of query aligns to 1:243/244 of 5ducA
- active site: A61 (≠ Q63), D66 (≠ R68), P73 (≠ D75), I77 (≠ V85), A101 (= A109), Q104 (≠ N112), P123 (≠ A131), T124 (≠ F132), L129 (= L137), L131 (≠ P139), D132 (= D140), P211 (≠ A225), W221 (≠ G235)
- binding (5R,7S)-N-(1,3-benzodioxol-5-ylmethyl)-5-(4-ethylphenyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide: L76 (≠ Y84), H80 (≠ L88), D84 (≠ F92), Q104 (≠ N112), D132 (= D140), W134 (≠ G142), F217 (≠ Q231)
5du4A Crystal structure of m. Tuberculosis echa6 bound to ligand gsk366a (see paper)
33% identity, 98% coverage: 4:257/258 of query aligns to 1:243/244 of 5du4A
- active site: A61 (≠ Q63), D66 (≠ R68), P73 (≠ D75), I77 (≠ V85), A101 (= A109), Q104 (≠ N112), P123 (≠ A131), T124 (≠ F132), L129 (= L137), L131 (≠ P139), D132 (= D140), P211 (≠ A225), W221 (≠ G235)
- binding (5R,7S)-5-(4-ethylphenyl)-N-(4-methoxybenzyl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide: L76 (≠ Y84), I77 (≠ V85), H80 (≠ L88), D84 (≠ F92), Q104 (≠ N112), D132 (= D140), W134 (≠ G142)
5dtwA Crystal structure of m. Tuberculosis echa6 bound to c20-coa (see paper)
33% identity, 98% coverage: 4:257/258 of query aligns to 1:243/244 of 5dtwA
- active site: A61 (≠ Q63), D66 (≠ R68), P73 (≠ D75), I77 (≠ V85), A101 (= A109), Q104 (≠ N112), P123 (≠ A131), T124 (≠ F132), L129 (= L137), L131 (≠ P139), D132 (= D140), P211 (≠ A225), W221 (≠ G235)
- binding Arachinoyl-CoA: R18 (= R21), E20 (≠ D23), R21 (≠ V24), R21 (≠ V24), R22 (≠ M25), A24 (= A27), A59 (≠ S61), A61 (≠ Q63), D62 (= D64), L63 (= L65), H80 (≠ L88), D84 (≠ F92), G100 (= G108), A101 (= A109), Y127 (≠ I135), W134 (≠ G142)
5du6A Crystal structure of m. Tuberculosis echa6 bound to ligand gsk059a. (see paper)
33% identity, 98% coverage: 4:257/258 of query aligns to 1:241/242 of 5du6A
- active site: A61 (≠ Q63), P71 (≠ R81), I75 (≠ V85), A99 (= A109), Q102 (≠ N112), P121 (≠ A131), T122 (≠ F132), L127 (= L137), L129 (≠ P139), D130 (= D140), P209 (≠ A225), W219 (≠ G235)
- binding (5R,7R)-5-(4-ethylphenyl)-N-(4-fluorobenzyl)-7-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine-3-carboxamide: L74 (≠ Y84), D82 (≠ F92), D130 (= D140), W132 (≠ G142), A207 (≠ Q223), K212 (≠ A228), F215 (≠ Q231)
4i52A Scmenb im complex with 1-hydroxy-2-naphthoyl-coa (see paper)
33% identity, 98% coverage: 2:255/258 of query aligns to 8:268/275 of 4i52A
- active site: G77 (≠ Q63), R82 (= R68), Y87 (≠ N73), R95 (= R81), L99 (≠ V85), G123 (≠ A109), V126 (≠ N112), G146 (≠ F132), S151 (≠ L137), D153 (≠ P139), G154 (≠ D140), A240 (vs. gap), Y248 (≠ K233)
- binding 1-hydroxy-2-naphthoyl-CoA: H29 (≠ D23), K30 (≠ V24), R31 (≠ M25), A33 (= A27), S75 (= S61), G76 (= G62), G77 (≠ Q63), D78 (= D64), Q79 (≠ L65), L96 (≠ D82), V98 (≠ Y84), Y119 (≠ P105), I121 (≠ A107), G123 (≠ A109), T145 (≠ A131), V149 (≠ I135), S151 (≠ L137), F152 (≠ I138)
Query Sequence
>3608351 Dshi_1753 Enoyl-CoA hydratase/isomerase (RefSeq)
MSYQTITLTIEDDAAVLTLNRPDVMNALNSQMRAEITDAVKLAGAEARVLVMTGAGRAFC
SGQDLGDRANAANLDLERTLRDEYVPMLRAIFDCPVPTIAAVNGPAAGAGANLALAADVV
IATESAVFLQAFTRIGLIPDAGGTYWLPRQMGFAKAMGAALFADKITARQADAWGMIWEA
VPDAEFEAVWRARAAHLAKGPTAAYEAVKQALRDSFNNDLDGQLALEAKLQGKMGETRDF
KEGVLAFLEKRSASFEGR
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