SitesBLAST
Comparing N515DRAFT_1164 N515DRAFT_1164 enoyl-CoA hydratase 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)
46% identity, 100% coverage: 1:260/260 of query aligns to 1:259/259 of 5zaiC
- active site: A65 (= A66), F70 (≠ M71), S82 (= S83), R86 (≠ Q87), G110 (= G111), E113 (= E114), P132 (= P133), E133 (= E134), I138 (≠ L139), P140 (= P141), G141 (= G142), A226 (≠ E227), F236 (= F237)
- binding coenzyme a: K24 (= K24), L25 (= L25), A63 (= A64), G64 (= G65), A65 (= A66), D66 (= D67), I67 (= I68), P132 (= P133), R166 (≠ M167), F248 (= F249), K251 (= K252)
1mj3A Crystal structure analysis of rat enoyl-coa hydratase in complex with hexadienoyl-coa (see paper)
44% identity, 96% coverage: 9:258/260 of query aligns to 12:256/258 of 1mj3A
- active site: A68 (= A66), M73 (= M71), S83 (≠ A85), L85 (≠ Q87), G109 (= G111), E112 (= E114), P131 (= P133), E132 (= E134), T137 (≠ L139), P139 (= P141), G140 (= G142), K225 (≠ E227), F235 (= F237)
- binding hexanoyl-coenzyme a: K26 (≠ D23), A27 (≠ K24), L28 (= L25), A30 (= A27), A66 (= A64), G67 (= G65), A68 (= A66), D69 (= D67), I70 (= I68), G109 (= G111), P131 (= P133), E132 (= E134), L135 (= L137), G140 (= G142)
1ey3A Structure of enoyl-coa hydratase complexed with the substrate dac-coa (see paper)
44% identity, 96% coverage: 9:258/260 of query aligns to 10:256/258 of 1ey3A
- active site: A66 (= A66), M71 (= M71), S81 (= S83), L85 (≠ Q87), G109 (= G111), E112 (= E114), P131 (= P133), E132 (= E134), T137 (≠ L139), P139 (= P141), G140 (= G142), K225 (≠ E227), F235 (= F237)
- binding 4-(n,n-dimethylamino)cinnamoyl-coa: K24 (≠ D23), L26 (= L25), A28 (= A27), A64 (= A64), G65 (= G65), A66 (= A66), D67 (= D67), I68 (= I68), L85 (≠ Q87), W88 (≠ M90), G109 (= G111), P131 (= P133), L135 (= L137), G140 (= G142)
1dubA 2-enoyl-coa hydratase, data collected at 100 k, ph 6.5 (see paper)
44% identity, 96% coverage: 9:258/260 of query aligns to 12:258/260 of 1dubA
- active site: A68 (= A66), M73 (= M71), S83 (= S83), L87 (≠ Q87), G111 (= G111), E114 (= E114), P133 (= P133), E134 (= E134), T139 (≠ L139), P141 (= P141), G142 (= G142), K227 (≠ E227), F237 (= F237)
- binding acetoacetyl-coenzyme a: K26 (≠ D23), A27 (≠ K24), L28 (= L25), A30 (= A27), A66 (= A64), A68 (= A66), D69 (= D67), I70 (= I68), Y107 (≠ F107), G110 (= G110), G111 (= G111), E114 (= E114), P133 (= P133), E134 (= E134), L137 (= L137), G142 (= G142), F233 (= F233), F249 (= F249)
2dubA Enoyl-coa hydratase complexed with octanoyl-coa (see paper)
44% identity, 96% coverage: 9:258/260 of query aligns to 11:252/254 of 2dubA
- active site: A67 (= A66), M72 (= M71), S82 (≠ Q87), G105 (= G111), E108 (= E114), P127 (= P133), E128 (= E134), T133 (≠ L139), P135 (= P141), G136 (= G142), K221 (≠ E227), F231 (= F237)
- binding octanoyl-coenzyme a: K25 (≠ D23), A26 (≠ K24), L27 (= L25), A29 (= A27), A65 (= A64), A67 (= A66), D68 (= D67), I69 (= I68), K70 (≠ A69), G105 (= G111), E108 (= E114), P127 (= P133), E128 (= E134), G136 (= G142), A137 (≠ F143)
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)
44% identity, 96% coverage: 9:258/260 of query aligns to 42:288/290 of P14604
- E144 (= E114) mutation to D: Reduces activity 50-fold.; mutation to Q: Reduces activity 3300-fold.
- E164 (= E134) 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
2hw5C The crystal structure of human enoyl-coenzyme a (coa) hydratase short chain 1, echs1
41% identity, 97% coverage: 9:260/260 of query aligns to 12:260/260 of 2hw5C
- active site: A68 (= A66), M73 (= M71), S83 (= S83), L87 (≠ Q87), G111 (= G111), E114 (= E114), P133 (= P133), E134 (= E134), T139 (≠ L139), P141 (= P141), G142 (= G142), K227 (≠ E227), F237 (= F237)
- binding crotonyl coenzyme a: K26 (≠ D23), A27 (≠ K24), L28 (= L25), A30 (= A27), K62 (= K60), I70 (= I68), F109 (≠ L109)
3q0jC Crystal structure of the mycobacterium tuberculosis crotonase in complex with the inhibitor acetoacetylcoa
40% identity, 99% coverage: 1:257/260 of query aligns to 1:254/255 of 3q0jC
- active site: A65 (= A66), M70 (= M71), T80 (≠ Q78), F84 (= F82), G108 (= G111), E111 (= E114), P130 (= P133), E131 (= E134), V136 (≠ L139), P138 (= P141), G139 (= G142), L224 (≠ E227), F234 (= F237)
- binding acetoacetyl-coenzyme a: Q23 (≠ D23), A24 (≠ K24), L25 (= L25), A27 (= A27), A63 (= A64), G64 (= G65), A65 (= A66), D66 (= D67), I67 (= I68), K68 (≠ A69), M70 (= M71), F84 (= F82), G107 (= G110), G108 (= G111), E111 (= E114), P130 (= P133), E131 (= E134), P138 (= P141), G139 (= G142), M140 (≠ F143)
3q0gC Crystal structure of the mycobacterium tuberculosis crotonase bound to a reaction intermediate derived from crotonyl coa
40% identity, 99% coverage: 1:257/260 of query aligns to 1:254/255 of 3q0gC
- active site: A65 (= A66), M70 (= M71), T80 (≠ Q78), F84 (= F82), G108 (= G111), E111 (= E114), P130 (= P133), E131 (= E134), V136 (≠ L139), P138 (= P141), G139 (= G142), L224 (≠ E227), F234 (= F237)
- binding coenzyme a: L25 (= L25), A63 (= A64), I67 (= I68), K68 (≠ A69), Y104 (≠ F107), P130 (= P133), E131 (= E134), L134 (= L137)
3h81A Crystal structure of enoyl-coa hydratase from mycobacterium tuberculosis (see paper)
39% identity, 99% coverage: 3:260/260 of query aligns to 2:256/256 of 3h81A
- active site: A64 (= A66), M69 (= M71), T79 (≠ Q78), F83 (= F82), G107 (= G111), E110 (= E114), P129 (= P133), E130 (= E134), V135 (≠ L139), P137 (= P141), G138 (= G142), L223 (≠ E227), F233 (= F237)
- binding calcium ion: F233 (= F237), Q238 (≠ M242)
3q0gD Crystal structure of the mycobacterium tuberculosis crotonase bound to a reaction intermediate derived from crotonyl coa
40% identity, 98% coverage: 3:257/260 of query aligns to 2:249/250 of 3q0gD
- active site: A64 (= A66), M69 (= M71), T75 (= T75), F79 (= F82), G103 (= G111), E106 (= E114), P125 (= P133), E126 (= E134), V131 (≠ L139), P133 (= P141), G134 (= G142), L219 (≠ E227), F229 (= F237)
- binding Butyryl Coenzyme A: F225 (= F233), F241 (= F249)
5jbxB Crystal structure of liuc in complex with coenzyme a and malonic acid (see paper)
40% identity, 96% coverage: 11:260/260 of query aligns to 12:261/261 of 5jbxB
- active site: A67 (= A66), R72 (≠ M71), L84 (≠ S83), R88 (≠ Q87), G112 (= G111), E115 (= E114), T134 (≠ P133), E135 (= E134), I140 (≠ L139), P142 (= P141), G143 (= G142), A228 (≠ E227), L238 (≠ F237)
- binding coenzyme a: S24 (≠ D23), R25 (≠ K24), R26 (≠ L25), A28 (= A27), A65 (= A64), D68 (= D67), L69 (≠ I68), K70 (≠ A69), L110 (= L109), G111 (= G110), T134 (≠ P133), E135 (= E134), L138 (= L137), R168 (≠ M167)
6eqoA Tri-functional propionyl-coa synthase of erythrobacter sp. Nap1 with bound NADP+ and phosphomethylphosphonic acid adenylate ester (see paper)
47% identity, 64% coverage: 14:180/260 of query aligns to 867:1041/1804 of 6eqoA
Sites not aligning to the query:
- binding phosphomethylphosphonic acid adenylate ester: 456, 458, 535, 536, 537, 538, 558, 559, 560, 561, 562, 688, 714
- binding nadp nicotinamide-adenine-dinucleotide phosphate: 1261, 1265, 1379, 1400, 1403, 1404, 1405, 1424, 1425, 1429, 1444, 1492, 1493, 1497, 1514, 1517, 1713, 1730, 1731, 1774
6slbAAA Enoyl-CoA hydratase/carnithine racemase (see paper)
36% identity, 95% coverage: 14:260/260 of query aligns to 13:257/257 of 6slbAAA
- active site: Q64 (≠ A66), F69 (≠ M71), L80 (≠ S83), N84 (≠ Q87), A108 (≠ G111), S111 (≠ E114), A130 (≠ P133), F131 (≠ E134), L136 (= L139), P138 (= P141), D139 (≠ G142), A224 (≠ E227), G234 (≠ F237)
- 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 (≠ K60), A62 (= A64), Q64 (≠ A66), D65 (= D67), L66 (≠ I68), Y76 (≠ A79), A108 (≠ G111), F131 (≠ E134), D139 (≠ G142)
6yswA E. Coli anaerobic trifunctional enzyme subunit-alpha in complex with coenzyme a
41% identity, 74% coverage: 14:205/260 of query aligns to 13:209/707 of 6yswA
- active site: A66 (= A66), I71 (≠ M71), A84 (≠ S83), Q88 (= Q87), G112 (= G111), E115 (= E114), P136 (= P133), E137 (= E134), G145 (= G142)
- binding coenzyme a: E23 (≠ D23), M25 (≠ L25), A66 (= A66), D67 (= D67), I68 (= I68), P136 (= P133), E137 (= E134), L140 (= L137)
Sites not aligning to the query:
P40939 Trifunctional enzyme subunit alpha, mitochondrial; 78 kDa gastrin-binding protein; Monolysocardiolipin acyltransferase; TP-alpha; EC 2.3.1.-; EC 4.2.1.17; EC 1.1.1.211 from Homo sapiens (Human) (see 5 papers)
36% identity, 70% coverage: 5:185/260 of query aligns to 40:224/763 of P40939
Sites not aligning to the query:
- 282 V → D: in MTPD1; mild phenotype with slowly progressive myopathy and sensorimotor polyneuropathy; dbSNP:rs137852773
- 305 I → N: in MTPD1; mild phenotype with slowly progressive myopathy and sensorimotor polyneuropathy; dbSNP:rs137852774
- 342 L → P: in LCHAD deficiency; dbSNP:rs137852772
- 510 active site, For hydroxyacyl-coenzyme A dehydrogenase activity; E → Q: in AFLP and LCHAD deficiency; loss of long-chain-3-hydroxyacyl-CoA dehydrogenase activity; dbSNP:rs137852769
1ef9A The crystal structure of methylmalonyl coa decarboxylase complexed with 2s-carboxypropyl coa (see paper)
32% identity, 100% coverage: 1:260/260 of query aligns to 1:261/261 of 1ef9A
- active site: H66 (≠ A66), L71 (≠ M71), D82 (≠ Q80), R86 (= R84), G110 (= G111), E113 (= E114), P133 (≠ E134), V138 (≠ L139), Y140 (≠ P141), N141 (≠ G142), E228 (= E229), Y238 (≠ F237)
- binding 2-carboxypropyl-coenzyme a: A64 (= A64), H66 (≠ A66), D67 (= D67), I68 (= I68), H69 (≠ A69), W108 (≠ L109), G110 (= G111), T132 (≠ P133), P133 (≠ E134), K253 (= K252)
P52045 Methylmalonyl-CoA decarboxylase; MMCD; Transcarboxylase; EC 4.1.1.- from Escherichia coli (strain K12) (see paper)
32% identity, 100% coverage: 1:260/260 of query aligns to 1:261/261 of P52045
- G110 (= G111) binding
- T132 (≠ P133) binding
- K253 (= K252) binding
6n97A Methylmalonyl-coa decarboxylase in complex with 2-sulfonate-propionyl- amino(dethia)-coa (see paper)
33% identity, 100% coverage: 2:260/260 of query aligns to 1:260/260 of 6n97A
- active site: H65 (≠ A66), L70 (≠ M71), G109 (= G111), E112 (= E114), P132 (≠ E134), V137 (≠ L139), Y139 (≠ P141), E227 (= E229), Y237 (≠ F237)
- binding (2R)-sulfonatepropionyl-amino(dethia)-CoA: L24 (= L25), K59 (= K60), A63 (= A64), H65 (≠ A66), D66 (= D67), I67 (= I68), W107 (≠ L109), G108 (= G110), G109 (= G111), T131 (≠ P133), P132 (≠ E134), L135 (= L137), Y139 (≠ P141), F249 (= F249), K252 (= K252)
- binding (2S)-sulfonatepropionyl-amino(dethia)-CoA: L24 (= L25), K59 (= K60), A63 (= A64), H65 (≠ A66), D66 (= D67), I67 (= I68), W107 (≠ L109), G108 (= G110), G109 (= G111), T131 (≠ P133), P132 (≠ E134), L135 (= L137), Y139 (≠ P141), F249 (= F249), K252 (= K252)
6n96A Methylmalonyl-coa decarboxylase in complex with 2-sulfonate-propionyl- oxa(dethia)-coa (see paper)
33% identity, 100% coverage: 2:260/260 of query aligns to 1:260/260 of 6n96A
- active site: H65 (≠ A66), L70 (≠ M71), G109 (= G111), E112 (= E114), P132 (≠ E134), V137 (≠ L139), Y139 (≠ P141), E227 (= E229), Y237 (≠ F237)
- binding (2~{S})-1-[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]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid: K59 (= K60), A63 (= A64), H65 (≠ A66), D66 (= D67), I67 (= I68), H68 (≠ A69), W107 (≠ L109), G108 (= G110), G109 (= G111), T131 (≠ P133), P132 (≠ E134), L135 (= L137), V137 (≠ L139), Y139 (≠ P141), F249 (= F249), K252 (= K252)
- binding (2~{R})-1-[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]ethoxy]-1-oxidanylidene-propane-2-sulfonic acid: K59 (= K60), A63 (= A64), H65 (≠ A66), D66 (= D67), I67 (= I68), H68 (≠ A69), W107 (≠ L109), G108 (= G110), G109 (= G111), T131 (≠ P133), P132 (≠ E134), L135 (= L137), V137 (≠ L139), Y139 (≠ P141), F249 (= F249), K252 (= K252)
Query Sequence
>N515DRAFT_1164 N515DRAFT_1164 enoyl-CoA hydratase
MAYRNLDIGNRGAVRIITVNRPDKLNALNRDTLNELTLAFAQAAQDDAVRTVVLAGAGDK
AFVAGADIAEMNGYTPVQAQGFSRAGQRLMSSIERLGKPVVARIQGFALGGGMELAMACH
LRVASEKARFGQPEINLGLIPGFGGTQRLLRLAGRGAALELCLTGAMVGAQRAYELGVVN
RVVAPEALDETVDALADQLAASAPLAAAGILDAILQGGEMALDQGLEFETQAFALAFSTE
DMREGTTAFLEKRKAEFKGR
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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