SitesBLAST
Comparing BWI76_RS13115 BWI76_RS13115 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)
1mj3A Crystal structure analysis of rat enoyl-coa hydratase in complex with hexadienoyl-coa (see paper)
47% identity, 97% coverage: 7:253/255 of query aligns to 12:256/258 of 1mj3A
- active site: A68 (= A63), M73 (= M68), S83 (≠ P82), L85 (= L84), G109 (≠ A106), E112 (= E109), P131 (= P128), E132 (= E129), T137 (≠ M134), P139 (= P136), G140 (= G137), K225 (≠ Q222), F235 (≠ S232)
- binding hexanoyl-coenzyme a: K26 (≠ Q21), A27 (= A22), L28 (≠ R23), A30 (= A25), A66 (= A61), G67 (= G62), A68 (= A63), D69 (= D64), I70 (≠ L65), G109 (≠ A106), P131 (= P128), E132 (= E129), L135 (= L132), G140 (= G137)
1dubA 2-enoyl-coa hydratase, data collected at 100 k, ph 6.5 (see paper)
46% identity, 97% coverage: 7:253/255 of query aligns to 12:258/260 of 1dubA
- active site: A68 (= A63), M73 (= M68), S83 (≠ D78), L87 (≠ P82), G111 (≠ A106), E114 (= E109), P133 (= P128), E134 (= E129), T139 (≠ M134), P141 (= P136), G142 (= G137), K227 (≠ Q222), F237 (≠ S232)
- binding acetoacetyl-coenzyme a: K26 (≠ Q21), A27 (= A22), L28 (≠ R23), A30 (= A25), A66 (= A61), A68 (= A63), D69 (= D64), I70 (≠ L65), Y107 (= Y102), G110 (= G105), G111 (≠ A106), E114 (= E109), P133 (= P128), E134 (= E129), L137 (= L132), G142 (= G137), F233 (= F228), F249 (= F244)
2dubA Enoyl-coa hydratase complexed with octanoyl-coa (see paper)
47% identity, 97% coverage: 7:253/255 of query aligns to 11:252/254 of 2dubA
- active site: A67 (= A63), M72 (= M68), S82 (≠ P82), G105 (≠ A106), E108 (= E109), P127 (= P128), E128 (= E129), T133 (≠ M134), P135 (= P136), G136 (= G137), K221 (≠ Q222), F231 (≠ S232)
- binding octanoyl-coenzyme a: K25 (≠ Q21), A26 (= A22), L27 (≠ R23), A29 (= A25), A65 (= A61), A67 (= A63), D68 (= D64), I69 (≠ L65), K70 (≠ N66), G105 (≠ A106), E108 (= E109), P127 (= P128), E128 (= E129), G136 (= G137), A137 (= A138)
1ey3A Structure of enoyl-coa hydratase complexed with the substrate dac-coa (see paper)
46% identity, 97% coverage: 7:253/255 of query aligns to 10:256/258 of 1ey3A
- active site: A66 (= A63), M71 (= M68), S81 (≠ D78), L85 (≠ P82), G109 (≠ A106), E112 (= E109), P131 (= P128), E132 (= E129), T137 (≠ M134), P139 (= P136), G140 (= G137), K225 (≠ Q222), F235 (≠ S232)
- binding 4-(n,n-dimethylamino)cinnamoyl-coa: K24 (≠ Q21), L26 (≠ R23), A28 (= A25), A64 (= A61), G65 (= G62), A66 (= A63), D67 (= D64), I68 (≠ L65), L85 (≠ P82), W88 (= W85), G109 (≠ A106), P131 (= P128), L135 (= L132), G140 (= G137)
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, 96% coverage: 8:253/255 of query aligns to 43:288/290 of P14604
- E144 (= E109) mutation to D: Reduces activity 50-fold.; mutation to Q: Reduces activity 3300-fold.
- E164 (= E129) 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, 94% coverage: 15:253/255 of query aligns to 20:258/260 of 2hw5C
- active site: A68 (= A63), M73 (= M68), S83 (≠ D78), L87 (≠ P82), G111 (≠ A106), E114 (= E109), P133 (= P128), E134 (= E129), T139 (≠ M134), P141 (= P136), G142 (= G137), K227 (≠ Q222), F237 (≠ S232)
- binding crotonyl coenzyme a: K26 (≠ Q21), A27 (= A22), L28 (≠ R23), A30 (= A25), K62 (≠ R57), I70 (≠ L65), F109 (≠ L104)
3h81A Crystal structure of enoyl-coa hydratase from mycobacterium tuberculosis (see paper)
43% identity, 99% coverage: 4:255/255 of query aligns to 5:256/256 of 3h81A
- active site: A64 (= A63), M69 (= M68), T79 (≠ D78), F83 (≠ P82), G107 (≠ A106), E110 (= E109), P129 (= P128), E130 (= E129), V135 (≠ M134), P137 (= P136), G138 (= G137), L223 (≠ Q222), F233 (≠ S232)
- binding calcium ion: F233 (≠ S232), Q238 (≠ R237)
3q0jC Crystal structure of the mycobacterium tuberculosis crotonase in complex with the inhibitor acetoacetylcoa
43% identity, 98% coverage: 4:252/255 of query aligns to 6:254/255 of 3q0jC
- active site: A65 (= A63), M70 (= M68), T80 (≠ D78), F84 (≠ P82), G108 (≠ A106), E111 (= E109), P130 (= P128), E131 (= E129), V136 (≠ M134), P138 (= P136), G139 (= G137), L224 (≠ Q222), F234 (≠ S232)
- binding acetoacetyl-coenzyme a: Q23 (= Q21), A24 (= A22), L25 (≠ R23), A27 (= A25), A63 (= A61), G64 (= G62), A65 (= A63), D66 (= D64), I67 (≠ L65), K68 (≠ N66), M70 (= M68), F84 (≠ P82), G107 (= G105), G108 (≠ A106), E111 (= E109), P130 (= P128), E131 (= E129), P138 (= P136), G139 (= G137), M140 (≠ A138)
3q0gC Crystal structure of the mycobacterium tuberculosis crotonase bound to a reaction intermediate derived from crotonyl coa
43% identity, 98% coverage: 4:252/255 of query aligns to 6:254/255 of 3q0gC
- active site: A65 (= A63), M70 (= M68), T80 (≠ D78), F84 (≠ P82), G108 (≠ A106), E111 (= E109), P130 (= P128), E131 (= E129), V136 (≠ M134), P138 (= P136), G139 (= G137), L224 (≠ Q222), F234 (≠ S232)
- binding coenzyme a: L25 (≠ R23), A63 (= A61), I67 (≠ L65), K68 (≠ N66), Y104 (= Y102), P130 (= P128), E131 (= E129), L134 (= L132)
3q0gD Crystal structure of the mycobacterium tuberculosis crotonase bound to a reaction intermediate derived from crotonyl coa
43% identity, 98% coverage: 4:252/255 of query aligns to 5:249/250 of 3q0gD
- active site: A64 (= A63), M69 (= M68), T75 (≠ P74), F79 (≠ P82), G103 (≠ A106), E106 (= E109), P125 (= P128), E126 (= E129), V131 (≠ M134), P133 (= P136), G134 (= G137), L219 (≠ Q222), F229 (≠ S232)
- binding Butyryl Coenzyme A: F225 (= F228), F241 (= F244)
5zaiC Crystal structure of 3-hydroxypropionyl-coa dehydratase from metallosphaera sedula (see paper)
40% identity, 97% coverage: 8:255/255 of query aligns to 10:259/259 of 5zaiC
- active site: A65 (= A63), F70 (≠ M68), S82 (≠ R81), R86 (vs. gap), G110 (≠ A106), E113 (= E109), P132 (= P128), E133 (= E129), I138 (≠ M134), P140 (= P136), G141 (= G137), A226 (≠ Q222), F236 (≠ S232)
- binding coenzyme a: K24 (≠ A22), L25 (≠ R23), A63 (= A61), G64 (= G62), A65 (= A63), D66 (= D64), I67 (≠ L65), P132 (= P128), R166 (≠ S162), F248 (= F244), K251 (= K247)
5jbxB Crystal structure of liuc in complex with coenzyme a and malonic acid (see paper)
36% identity, 100% coverage: 1:255/255 of query aligns to 4:261/261 of 5jbxB
- active site: A67 (= A63), R72 (vs. gap), L84 (= L77), R88 (= R81), G112 (≠ A106), E115 (= E109), T134 (≠ P128), E135 (= E129), I140 (≠ M134), P142 (= P136), G143 (= G137), A228 (≠ Q222), L238 (≠ S232)
- binding coenzyme a: S24 (≠ Q21), R25 (≠ A22), R26 (= R23), A28 (= A25), A65 (= A61), D68 (= D64), L69 (= L65), K70 (≠ N66), L110 (= L104), G111 (= G105), T134 (≠ P128), E135 (= E129), L138 (= L132), R168 (≠ S162)
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)
37% identity, 95% coverage: 11:253/255 of query aligns to 20:266/270 of Q4WF54
Sites not aligning to the query:
- 268:270 PTS1-type peroxisomal targeting signal
3p85A Crystal structure enoyl-coa hydratase from mycobacterium avium (see paper)
42% identity, 84% coverage: 11:224/255 of query aligns to 10:210/224 of 3p85A
- active site: L62 (≠ A63), L67 (= L77), P68 (≠ D78), G92 (≠ A106), E95 (= E109), T114 (≠ P128), H115 (≠ E129), L120 (≠ M134), P122 (= P136), T123 (≠ G137), W208 (≠ Q222)
- binding calcium ion: D43 (= D44), D45 (≠ T46)
Sites not aligning to the query:
O53561 Enoyl-CoA hydratase EchA19; EC 4.2.1.- from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 2 papers)
31% identity, 98% coverage: 5:255/255 of query aligns to 11:266/266 of O53561
- K135 (≠ R124) modified: N6-succinyllysine; mutation to E: Nearly wild-type levels of succinylation in vitro, reduces specific activity 8-fold.
- 135:142 (vs. 124:131, 38% identical) mutation to EFGISEAE: Very low levels of succinylation in vitro, reduces specific activity 15-fold.
- K142 (≠ T131) modified: N6-succinyllysine; mutation to E: About 50% succinylation in vitro, reduces specific activity 7-fold.
O69762 Hydroxycinnamoyl-CoA hydratase-lyase; HCHL; P-hydroxycinnamoyl CoA hydratase/lyase; Trans-feruloyl-CoA hydratase/vanillin synthase; EC 4.1.2.61 from Pseudomonas fluorescens (see 2 papers)
32% identity, 92% coverage: 15:249/255 of query aligns to 22:266/276 of O69762
- K29 (≠ A22) binding
- A68 (= A61) binding
- M70 (≠ A63) binding
- L72 (= L65) binding
- Y75 (vs. gap) binding
- G120 (≠ A106) binding
- S123 (≠ E109) mutation to A: Reduced kcat compared to wild-type but not markerdly.
- S142 (≠ P128) binding
- E143 (= E129) mutation to A: Abolishes catalytic activity.
- W146 (≠ L132) binding
- G151 (= G137) binding
- Y239 (≠ F228) binding ; mutation to F: Increased KM for feruloyl-CoA but retains a significant amount of catalytic activity with a kcat 10 times less than that of the wild-type.
Sites not aligning to the query:
- 1 modified: Initiator methionine, Removed
2vssB Wild-type hydroxycinnamoyl-coa hydratase lyase in complex with acetyl- coa and vanillin (see paper)
33% identity, 86% coverage: 15:234/255 of query aligns to 19:242/247 of 2vssB
- active site: M67 (≠ A63), Y72 (vs. gap), D77 (= D72), R89 (= R83), Q93 (vs. gap), G117 (≠ A106), S120 (≠ E109), S139 (≠ P128), E140 (= E129), I145 (≠ M134), P147 (= P136), G148 (= G137), Y236 (≠ F228)
- binding acetyl coenzyme *a: E25 (≠ Q21), K26 (≠ A22), R27 (= R23), A29 (= A25), A65 (= A61), M67 (≠ A63), D68 (= D64), W113 (≠ Y102), F115 (≠ L104), G117 (≠ A106), S139 (≠ P128), E140 (= E129)
Sites not aligning to the query:
2vssD Wild-type hydroxycinnamoyl-coa hydratase lyase in complex with acetyl- coa and vanillin (see paper)
33% identity, 86% coverage: 15:234/255 of query aligns to 20:243/246 of 2vssD
- active site: M68 (≠ A63), Y73 (vs. gap), D78 (= D72), R90 (= R83), Q94 (vs. gap), G118 (≠ A106), S121 (≠ E109), S140 (≠ P128), E141 (= E129), I146 (≠ M134), P148 (= P136), G149 (= G137), Y237 (≠ F228)
- binding acetyl coenzyme *a: E26 (≠ Q21), K27 (≠ A22), R28 (= R23), A30 (= A25), A66 (= A61), M68 (≠ A63), D69 (= D64), L70 (= L65), F74 (≠ M68), W114 (≠ Y102), F116 (≠ L104), S140 (≠ P128)
- binding 4-hydroxy-3-methoxybenzaldehyde: M68 (≠ A63), Y73 (vs. gap), F74 (≠ M68), Q96 (≠ L84), E141 (= E129), G149 (= G137), N150 (≠ A138)
6p5uE Structure of an enoyl-coa hydratase/aldolase isolated from a lignin- degrading consortium (see paper)
35% identity, 78% coverage: 12:210/255 of query aligns to 16:221/246 of 6p5uE
- active site: M67 (≠ A63), Y72 (≠ M68), D77 (≠ N71), R89 (vs. gap), A93 (≠ P82), G117 (≠ A106), T120 (≠ E109), E140 (= E129), I145 (≠ M134), P147 (= P136), A148 (≠ G137)
- binding coenzyme a: D25 (≠ Q21), K26 (≠ A22), R27 (= R23), A29 (= A25), A65 (= A61), M67 (≠ A63), D68 (= D64), L69 (= L65), W113 (≠ Y102), F115 (≠ L104), S139 (≠ P128), W143 (≠ L132)
Sites not aligning to the query:
3h02A 2.15 angstrom resolution crystal structure of naphthoate synthase from salmonella typhimurium.
33% identity, 95% coverage: 12:252/255 of query aligns to 30:259/266 of 3h02A
- active site: G82 (≠ A63), H86 (≠ E67), L90 (= L77), G114 (≠ A106), V117 (≠ E109), G137 (≠ E129), S142 (≠ M134), D144 (≠ P136), G145 (= G137), A231 (≠ R225), Y239 (≠ S232)
- binding bicarbonate ion: G113 (= G105), Q135 (≠ L127), G137 (≠ E129), W165 (≠ V157)
Query Sequence
>BWI76_RS13115 BWI76_RS13115 2,3-dehydroadipyl-CoA hydratase
MSELFIARHARVLQLTLNRPQARNALNNALLMQIADVLDAAALDPTVGVCVISGNERFFA
AGADLNEMAENDLPATLDDIRPRLWARIDAFSKPLIASVNGYALGAGCELALICDLIVAG
DNARFGLPEITLGMMPGAGGTQRLIRSVGKALASRMVLSGESIDAHQALRAGLVSEVYPP
ALTDEYALSLAATVARHSPLALRAAKQSLRLSQEVSLQAGLQQERQLFTLLSATEDRREG
IDAFLHKRTAEFKGR
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