SitesBLAST
Comparing HSERO_RS20665 HSERO_RS20665 2,3-dehydroadipyl-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)
1ey3A Structure of enoyl-coa hydratase complexed with the substrate dac-coa (see paper)
46% identity, 97% coverage: 7:259/262 of query aligns to 1:255/258 of 1ey3A
- active site: A66 (= A70), M71 (= M75), S81 (≠ L85), L85 (≠ A89), G109 (≠ A113), E112 (= E116), P131 (= P135), E132 (= E136), T137 (= T141), P139 (= P143), G140 (= G144), K225 (≠ L229), F235 (≠ A239)
- binding 4-(n,n-dimethylamino)cinnamoyl-coa: K24 (≠ A28), L26 (≠ R30), A28 (= A32), A64 (= A68), G65 (= G69), A66 (= A70), D67 (= D71), I68 (≠ L72), L85 (≠ A89), W88 (= W92), G109 (≠ A113), P131 (= P135), L135 (≠ V139), G140 (= G144)
2dubA Enoyl-coa hydratase complexed with octanoyl-coa (see paper)
47% identity, 97% coverage: 7:259/262 of query aligns to 2:251/254 of 2dubA
- active site: A67 (= A70), M72 (= M75), S82 (≠ A89), G105 (≠ A113), E108 (= E116), P127 (= P135), E128 (= E136), T133 (= T141), P135 (= P143), G136 (= G144), K221 (≠ L229), F231 (≠ A239)
- binding octanoyl-coenzyme a: K25 (≠ A28), A26 (≠ L29), L27 (≠ R30), A29 (= A32), A65 (= A68), A67 (= A70), D68 (= D71), I69 (≠ L72), K70 (≠ N73), G105 (≠ A113), E108 (= E116), P127 (= P135), E128 (= E136), G136 (= G144), A137 (= A145)
1dubA 2-enoyl-coa hydratase, data collected at 100 k, ph 6.5 (see paper)
46% identity, 97% coverage: 7:259/262 of query aligns to 3:257/260 of 1dubA
- active site: A68 (= A70), M73 (= M75), S83 (≠ L85), L87 (≠ A89), G111 (≠ A113), E114 (= E116), P133 (= P135), E134 (= E136), T139 (= T141), P141 (= P143), G142 (= G144), K227 (≠ L229), F237 (≠ A239)
- binding acetoacetyl-coenzyme a: K26 (≠ A28), A27 (≠ L29), L28 (≠ R30), A30 (= A32), A66 (= A68), A68 (= A70), D69 (= D71), I70 (≠ L72), Y107 (= Y109), G110 (= G112), G111 (≠ A113), E114 (= E116), P133 (= P135), E134 (= E136), L137 (≠ V139), G142 (= G144), F233 (= F235), F249 (= F251)
1mj3A Crystal structure analysis of rat enoyl-coa hydratase in complex with hexadienoyl-coa (see paper)
46% identity, 97% coverage: 7:259/262 of query aligns to 3:255/258 of 1mj3A
- active site: A68 (= A70), M73 (= M75), S83 (≠ A89), L85 (vs. gap), G109 (≠ A113), E112 (= E116), P131 (= P135), E132 (= E136), T137 (= T141), P139 (= P143), G140 (= G144), K225 (≠ L229), F235 (≠ A239)
- binding hexanoyl-coenzyme a: K26 (≠ A28), A27 (≠ L29), L28 (≠ R30), A30 (= A32), A66 (= A68), G67 (= G69), A68 (= A70), D69 (= D71), I70 (≠ L72), G109 (≠ A113), P131 (= P135), E132 (= E136), L135 (≠ V139), G140 (= G144)
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)
46% identity, 97% coverage: 7:259/262 of query aligns to 33:287/290 of P14604
- E144 (= E116) mutation to D: Reduces activity 50-fold.; mutation to Q: Reduces activity 3300-fold.
- E164 (= E136) 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
44% identity, 97% coverage: 7:259/262 of query aligns to 3:257/260 of 2hw5C
- active site: A68 (= A70), M73 (= M75), S83 (≠ A82), L87 (≠ A89), G111 (≠ A113), E114 (= E116), P133 (= P135), E134 (= E136), T139 (= T141), P141 (= P143), G142 (= G144), K227 (≠ L229), F237 (≠ A239)
- binding crotonyl coenzyme a: K26 (≠ A28), A27 (≠ L29), L28 (≠ R30), A30 (= A32), K62 (= K64), I70 (≠ L72), F109 (≠ L111)
3q0gD Crystal structure of the mycobacterium tuberculosis crotonase bound to a reaction intermediate derived from crotonyl coa
46% identity, 97% coverage: 7:260/262 of query aligns to 2:250/250 of 3q0gD
- active site: A64 (= A70), M69 (= M75), T75 (≠ Q84), F79 (≠ R88), G103 (≠ A113), E106 (= E116), P125 (= P135), E126 (= E136), V131 (≠ T141), P133 (= P143), G134 (= G144), L219 (= L229), F229 (≠ A239)
- binding Butyryl Coenzyme A: F225 (= F235), F241 (= F251)
3h81A Crystal structure of enoyl-coa hydratase from mycobacterium tuberculosis (see paper)
45% identity, 98% coverage: 7:262/262 of query aligns to 2:256/256 of 3h81A
- active site: A64 (= A70), M69 (= M75), T79 (≠ A82), F83 (≠ A89), G107 (≠ A113), E110 (= E116), P129 (= P135), E130 (= E136), V135 (≠ T141), P137 (= P143), G138 (= G144), L223 (= L229), F233 (≠ A239)
- binding calcium ion: F233 (≠ A239), Q238 (≠ R244)
3q0jC Crystal structure of the mycobacterium tuberculosis crotonase in complex with the inhibitor acetoacetylcoa
44% identity, 98% coverage: 5:260/262 of query aligns to 1:255/255 of 3q0jC
- active site: A65 (= A70), M70 (= M75), T80 (≠ A82), F84 (≠ A89), G108 (≠ A113), E111 (= E116), P130 (= P135), E131 (= E136), V136 (≠ T141), P138 (= P143), G139 (= G144), L224 (= L229), F234 (≠ A239)
- binding acetoacetyl-coenzyme a: Q23 (≠ A28), A24 (≠ L29), L25 (≠ R30), A27 (= A32), A63 (= A68), G64 (= G69), A65 (= A70), D66 (= D71), I67 (≠ L72), K68 (≠ N73), M70 (= M75), F84 (≠ A89), G107 (= G112), G108 (≠ A113), E111 (= E116), P130 (= P135), E131 (= E136), P138 (= P143), G139 (= G144), M140 (≠ A145)
3q0gC Crystal structure of the mycobacterium tuberculosis crotonase bound to a reaction intermediate derived from crotonyl coa
44% identity, 98% coverage: 5:260/262 of query aligns to 1:255/255 of 3q0gC
- active site: A65 (= A70), M70 (= M75), T80 (≠ A82), F84 (≠ A89), G108 (≠ A113), E111 (= E116), P130 (= P135), E131 (= E136), V136 (≠ T141), P138 (= P143), G139 (= G144), L224 (= L229), F234 (≠ A239)
- binding coenzyme a: L25 (≠ R30), A63 (= A68), I67 (≠ L72), K68 (≠ N73), Y104 (= Y109), P130 (= P135), E131 (= E136), L134 (≠ V139)
5zaiC Crystal structure of 3-hydroxypropionyl-coa dehydratase from metallosphaera sedula (see paper)
39% identity, 98% coverage: 7:262/262 of query aligns to 3:259/259 of 5zaiC
- active site: A65 (= A70), F70 (vs. gap), S82 (≠ Q84), R86 (= R88), G110 (≠ A113), E113 (= E116), P132 (= P135), E133 (= E136), I138 (≠ T141), P140 (= P143), G141 (= G144), A226 (≠ L229), F236 (≠ A239)
- binding coenzyme a: K24 (≠ L29), L25 (≠ R30), A63 (= A68), G64 (= G69), A65 (= A70), D66 (= D71), I67 (≠ L72), P132 (= P135), R166 (≠ F169), F248 (= F251), K251 (= K254)
5jbxB Crystal structure of liuc in complex with coenzyme a and malonic acid (see paper)
37% identity, 92% coverage: 23:262/262 of query aligns to 19:261/261 of 5jbxB
- active site: A67 (= A70), R72 (vs. gap), L84 (= L85), R88 (≠ A89), G112 (≠ A113), E115 (= E116), T134 (≠ P135), E135 (= E136), I140 (≠ T141), P142 (= P143), G143 (= G144), A228 (≠ L229), L238 (≠ A239)
- binding coenzyme a: S24 (≠ A28), R25 (≠ L29), R26 (= R30), A28 (= A32), A65 (= A68), D68 (= D71), L69 (= L72), K70 (≠ N73), L110 (= L111), G111 (= G112), T134 (≠ P135), E135 (= E136), L138 (≠ V139), R168 (≠ F169)
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)
35% identity, 91% coverage: 18:255/262 of query aligns to 20:261/270 of Q4WF54
Sites not aligning to the query:
- 268:270 PTS1-type peroxisomal targeting signal
6slbAAA Enoyl-CoA hydratase/carnithine racemase (see paper)
36% identity, 93% coverage: 19:262/262 of query aligns to 13:257/257 of 6slbAAA
- active site: Q64 (≠ A70), F69 (≠ M75), L80 (= L85), N84 (≠ A89), A108 (= A113), S111 (≠ E116), A130 (≠ P135), F131 (≠ E136), L136 (≠ T141), P138 (= P143), D139 (≠ G144), A224 (≠ L229), G234 (≠ A239)
- 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 (≠ K64), A62 (= A68), Q64 (≠ A70), D65 (= D71), L66 (= L72), Y76 (≠ I81), A108 (= A113), F131 (≠ E136), D139 (≠ G144)
6slaAAA Enoyl-CoA hydratase/carnithine racemase (see paper)
36% identity, 93% coverage: 19:262/262 of query aligns to 10:245/245 of 6slaAAA
- active site: Q61 (≠ A70), L68 (= L85), N72 (≠ A89), A96 (= A113), S99 (≠ E116), A118 (≠ P135), F119 (≠ E136), L124 (≠ T141), P126 (= P143), N127 (≠ G144), A212 (≠ L229), G222 (≠ A239)
- 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 (≠ R30), A59 (= A68), Q61 (≠ A70), D62 (= D71), L63 (= L72), L68 (= L85), Y71 (≠ R88), A94 (≠ L111), G95 (= G112), A96 (= A113), F119 (≠ E136), I122 (≠ V139), L124 (≠ T141), N127 (≠ G144), F234 (= F251), K237 (= K254)
O53561 Enoyl-CoA hydratase EchA19; EC 4.2.1.- from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 2 papers)
35% identity, 97% coverage: 9:262/262 of query aligns to 9:266/266 of O53561
- K135 (= K131) modified: N6-succinyllysine; mutation to E: Nearly wild-type levels of succinylation in vitro, reduces specific activity 8-fold.
- 135:142 (vs. 131:138, 38% identical) mutation to EFGISEAE: Very low levels of succinylation in vitro, reduces specific activity 15-fold.
- K142 (≠ N138) modified: N6-succinyllysine; mutation to E: About 50% succinylation in vitro, reduces specific activity 7-fold.
3h02A 2.15 angstrom resolution crystal structure of naphthoate synthase from salmonella typhimurium.
33% identity, 97% coverage: 6:260/262 of query aligns to 17:260/266 of 3h02A
- active site: G82 (≠ A70), H86 (≠ E74), L90 (= L85), G114 (≠ A113), V117 (≠ E116), G137 (≠ E136), S142 (≠ T141), D144 (≠ P143), G145 (= G144), A231 (≠ E231), Y239 (≠ A239)
- binding bicarbonate ion: G113 (= G112), Q135 (= Q134), G137 (≠ E136), W165 (≠ V164)
Q7CQ56 1,4-dihydroxy-2-naphthoyl-CoA synthase; DHNA-CoA synthase; EC 4.1.3.36 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
33% identity, 97% coverage: 6:260/262 of query aligns to 21:279/285 of Q7CQ56
4elxA Structure of apo e.Coli. 1,4-dihydroxy-2- naphthoyl coa synthases with cl (see paper)
33% identity, 97% coverage: 6:260/262 of query aligns to 18:262/268 of 4elxA
- active site: G83 (≠ A70), H88 (= H77), L92 (≠ I81), G116 (≠ A113), V119 (≠ E116), G139 (≠ E136), S144 (≠ T141), D146 (≠ P143), G147 (= G144), A233 (≠ E231), Y241 (≠ A239)
- binding chloride ion: G115 (= G112), G139 (≠ E136), W167 (≠ V164)
4elwA Structure of e. Coli. 1,4-dihydroxy-2- naphthoyl coenzyme a synthases (menb) in complex with nitrate (see paper)
33% identity, 97% coverage: 6:260/262 of query aligns to 18:261/267 of 4elwA
- active site: G83 (≠ A70), L91 (= L85), G115 (≠ A113), V118 (≠ E116), G138 (≠ E136), S143 (≠ T141), D145 (≠ P143), G146 (= G144), A232 (≠ E231), Y240 (≠ A239)
- binding nitrate ion: G114 (= G112), T137 (≠ P135), G138 (≠ E136), F144 (≠ L142), W166 (≠ V164)
Query Sequence
>HSERO_RS20665 HSERO_RS20665 2,3-dehydroadipyl-CoA hydratase
MQDTVAYEDLLAARHGEHVLHLTLNRPALRNALRNQSLREIVAALARAEEDDSVRVVVIS
GNEKAFAAGADLNEMIHKDAIATQLDVRAQYWRAIARFPKPILAAVNGYALGAGCELLMH
ADIAIAARGAKIGQPEINVGTLPGAGGTQRLIRTVGKPLAMKMVLSGEFISADQALQAGL
VAEVVDDDATLERTLALAHSIAQKSPLAVRLAKEAMLQSFELGLEAGLLFERKSFSLMAA
SADRQEGIAAFQEKRAAVFSGR
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