SitesBLAST
Comparing 7025616 FitnessBrowser__ANA3:7025616 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)
3bptA Crystal structure of human beta-hydroxyisobutyryl-coa hydrolase in complex with quercetin
36% identity, 86% coverage: 31:360/383 of query aligns to 16:336/362 of 3bptA
- active site: G67 (= G82), P84 (≠ K103), R88 (≠ E107), G115 (= G134), G118 (= G137), E138 (= E157), D146 (= D165)
- binding (2r)-3-hydroxy-2-methylpropanoic acid: G66 (= G81), G67 (= G82), I69 (≠ V84), E90 (= E109), G114 (= G133), G115 (= G134), E138 (= E157), D146 (= D165), V147 (= V166)
- binding 3,5,7,3',4'-pentahydroxyflavone: F25 (≠ A40), L26 (= L41), A28 (= A43), G66 (= G81), G67 (= G82), I69 (≠ V84), P137 (= P156), I141 (= I160), L319 (= L343)
Q9LKJ1 3-hydroxyisobutyryl-CoA hydrolase 1; CoA-thioester hydrolase CHY1; EC 3.1.2.-; EC 3.1.2.4 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
33% identity, 88% coverage: 30:366/383 of query aligns to 19:350/378 of Q9LKJ1
- G70 (= G82) mutation to S: Loss of activity.
- E142 (= E157) mutation to A: Loss of activity.
- D150 (= D165) mutation to G: Reduced activity.
4hdtA Crystal structure of a carnitinyl-coa dehydratase from mycobacterium thermoresistibile (see paper)
36% identity, 88% coverage: 30:366/383 of query aligns to 12:325/340 of 4hdtA
- active site: G64 (= G82), I69 (≠ L87), W84 (≠ F106), Y88 (= Y110), G112 (= G134), G115 (= G137), E135 (= E157), P142 (= P164), D143 (= D165), R283 (≠ K320)
- binding zinc ion: H28 (≠ L46), E42 (≠ K60), E57 (= E75), E79 (≠ Q97), H93 (≠ L115), H185 (≠ R207)
Sites not aligning to the query:
3q0jC Crystal structure of the mycobacterium tuberculosis crotonase in complex with the inhibitor acetoacetylcoa
30% identity, 53% coverage: 17:219/383 of query aligns to 1:192/255 of 3q0jC
- active site: A65 (≠ G82), M70 (≠ V101), T80 (≠ R111), F84 (≠ L115), G108 (= G134), E111 (≠ G137), P130 (= P156), E131 (= E157), V136 (≠ L162), P138 (= P164), G139 (≠ D165)
- binding acetoacetyl-coenzyme a: Q23 (≠ K39), A24 (= A40), L25 (= L41), A27 (= A43), A63 (= A80), G64 (= G81), A65 (≠ G82), D66 (= D83), I67 (≠ V84), K68 (≠ R85), M70 (≠ V101), F84 (≠ L115), G107 (= G133), G108 (= G134), E111 (≠ G137), P130 (= P156), E131 (= E157), P138 (= P164), G139 (≠ D165), M140 (≠ V166)
Sites not aligning to the query:
3q0gC Crystal structure of the mycobacterium tuberculosis crotonase bound to a reaction intermediate derived from crotonyl coa
30% identity, 53% coverage: 17:219/383 of query aligns to 1:192/255 of 3q0gC
- active site: A65 (≠ G82), M70 (≠ V101), T80 (≠ R111), F84 (≠ L115), G108 (= G134), E111 (≠ G137), P130 (= P156), E131 (= E157), V136 (≠ L162), P138 (= P164), G139 (≠ D165)
- binding coenzyme a: L25 (= L41), A63 (= A80), I67 (≠ V84), K68 (≠ R85), Y104 (≠ I130), P130 (= P156), E131 (= E157), L134 (≠ I160)
Sites not aligning to the query:
3h81A Crystal structure of enoyl-coa hydratase from mycobacterium tuberculosis (see paper)
30% identity, 52% coverage: 19:219/383 of query aligns to 2:191/256 of 3h81A
- active site: A64 (≠ G82), M69 (≠ V101), T79 (≠ R111), F83 (≠ L115), G107 (= G134), E110 (≠ G137), P129 (= P156), E130 (= E157), V135 (≠ L162), P137 (= P164), G138 (≠ D165)
Sites not aligning to the query:
5zaiC Crystal structure of 3-hydroxypropionyl-coa dehydratase from metallosphaera sedula (see paper)
27% identity, 49% coverage: 19:205/383 of query aligns to 3:182/259 of 5zaiC
- active site: A65 (≠ G82), F70 (≠ L87), S82 (≠ T99), R86 (≠ K103), G110 (= G134), E113 (≠ G137), P132 (= P156), E133 (= E157), I138 (≠ L162), P140 (= P164), G141 (≠ D165)
- binding coenzyme a: K24 (≠ A40), L25 (= L41), A63 (= A80), G64 (= G81), A65 (≠ G82), D66 (= D83), I67 (≠ V84), P132 (= P156), R166 (≠ Q189)
Sites not aligning to the query:
2hw5C The crystal structure of human enoyl-coenzyme a (coa) hydratase short chain 1, echs1
32% identity, 45% coverage: 30:200/383 of query aligns to 17:178/260 of 2hw5C
- active site: A68 (≠ G82), M73 (≠ L87), S83 (≠ R111), L87 (= L115), G111 (= G134), E114 (≠ G137), P133 (= P156), E134 (= E157), T139 (≠ L162), P141 (= P164), G142 (≠ D165)
- binding crotonyl coenzyme a: K26 (= K39), A27 (= A40), L28 (= L41), A30 (= A43), K62 (= K76), I70 (≠ V84), F109 (≠ M132)
Sites not aligning to the query:
3q0gD Crystal structure of the mycobacterium tuberculosis crotonase bound to a reaction intermediate derived from crotonyl coa
30% identity, 52% coverage: 19:219/383 of query aligns to 2:187/250 of 3q0gD
- active site: A64 (≠ G82), M69 (≠ F105), T75 (≠ R111), F79 (≠ L115), G103 (= G134), E106 (≠ G137), P125 (= P156), E126 (= E157), V131 (≠ L162), P133 (= P164), G134 (≠ D165)
Sites not aligning to the query:
1dubA 2-enoyl-coa hydratase, data collected at 100 k, ph 6.5 (see paper)
31% identity, 45% coverage: 30:200/383 of query aligns to 17:178/260 of 1dubA
- active site: A68 (≠ G82), M73 (≠ L87), S83 (≠ R111), L87 (= L115), G111 (= G134), E114 (≠ G137), P133 (= P156), E134 (= E157), T139 (≠ L162), P141 (= P164), G142 (≠ D165)
- binding acetoacetyl-coenzyme a: K26 (= K39), A27 (= A40), L28 (= L41), A30 (= A43), A66 (= A80), A68 (≠ G82), D69 (= D83), I70 (≠ V84), Y107 (≠ I130), G110 (= G133), G111 (= G134), E114 (≠ G137), P133 (= P156), E134 (= E157), L137 (≠ I160), G142 (≠ D165)
Sites not aligning to the query:
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)
31% identity, 45% coverage: 30:200/383 of query aligns to 47:208/290 of P14604
- E144 (≠ G137) mutation to D: Reduces activity 50-fold.; mutation to Q: Reduces activity 3300-fold.
- E164 (= E157) 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
1ey3A Structure of enoyl-coa hydratase complexed with the substrate dac-coa (see paper)
31% identity, 45% coverage: 30:200/383 of query aligns to 15:176/258 of 1ey3A
- active site: A66 (≠ G82), M71 (≠ L87), S81 (≠ R111), L85 (= L115), G109 (= G134), E112 (≠ G137), P131 (= P156), E132 (= E157), T137 (≠ L162), P139 (= P164), G140 (≠ D165)
- binding 4-(n,n-dimethylamino)cinnamoyl-coa: K24 (= K39), L26 (= L41), A28 (= A43), A64 (= A80), G65 (= G81), A66 (≠ G82), D67 (= D83), I68 (≠ V84), L85 (= L115), W88 (vs. gap), G109 (= G134), P131 (= P156), L135 (≠ I160), G140 (≠ D165)
Sites not aligning to the query:
6z1pBI mS93 (see paper)
29% identity, 48% coverage: 18:201/383 of query aligns to 21:201/1413 of 6z1pBI
- active site: T85 (≠ G82), S134 (≠ G134), E157 (= E157), D165 (= D165)
- binding : Y41 (≠ K39), K42 (≠ A40), Q43 (≠ L41), T45 (≠ A43), D47 (= D45), H49 (≠ D47), K83 (≠ A80), T85 (≠ G82), D86 (= D83), F87 (≠ V84), K88 (≠ R85), K92 (≠ H89), L130 (≠ I130), K152 (≠ R152)
Sites not aligning to the query:
2dubA Enoyl-coa hydratase complexed with octanoyl-coa (see paper)
30% identity, 45% coverage: 30:200/383 of query aligns to 16:172/254 of 2dubA
- active site: A67 (≠ G82), M72 (≠ L87), S82 (≠ R111), G105 (= G134), E108 (≠ G137), P127 (= P156), E128 (= E157), T133 (≠ L162), P135 (= P164), G136 (≠ D165)
- binding octanoyl-coenzyme a: K25 (= K39), A26 (= A40), L27 (= L41), A29 (= A43), A65 (= A80), A67 (≠ G82), D68 (= D83), I69 (≠ V84), K70 (≠ R85), G105 (= G134), E108 (≠ G137), P127 (= P156), E128 (= E157), G136 (≠ D165), A137 (≠ V166)
Sites not aligning to the query:
1mj3A Crystal structure analysis of rat enoyl-coa hydratase in complex with hexadienoyl-coa (see paper)
31% identity, 45% coverage: 30:200/383 of query aligns to 17:176/258 of 1mj3A
- active site: A68 (≠ G82), M73 (≠ L87), S83 (≠ R111), L85 (= L112), G109 (= G134), E112 (≠ G137), P131 (= P156), E132 (= E157), T137 (≠ L162), P139 (= P164), G140 (≠ D165)
- binding hexanoyl-coenzyme a: K26 (= K39), A27 (= A40), L28 (= L41), A30 (= A43), A66 (= A80), G67 (= G81), A68 (≠ G82), D69 (= D83), I70 (≠ V84), G109 (= G134), P131 (= P156), E132 (= E157), L135 (≠ I160), G140 (≠ D165)
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)
30% identity, 45% coverage: 32:205/383 of query aligns to 20:189/266 of O53561
- K135 (≠ R152) modified: N6-succinyllysine; mutation to E: Nearly wild-type levels of succinylation in vitro, reduces specific activity 8-fold.
- 135:142 (vs. 152:159, 13% identical) mutation to EFGISEAE: Very low levels of succinylation in vitro, reduces specific activity 15-fold.
- K142 (≠ T159) modified: N6-succinyllysine; mutation to E: About 50% succinylation in vitro, reduces specific activity 7-fold.
7o4uA Structure of the alpha subunit of mycobacterium tuberculosis beta- oxidation trifunctional enzyme in complex with oxidized nicotinamide adenine dinucleotide (see paper)
30% identity, 46% coverage: 31:205/383 of query aligns to 12:189/711 of 7o4uA
Sites not aligning to the query:
8oqsB Structure of mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with fragment-m-83
30% identity, 46% coverage: 31:205/383 of query aligns to 29:206/735 of 8oqsB
- binding 4-phenylbenzenesulfonic acid: M45 (≠ L44), I50 (≠ V49), G82 (= G81), G83 (= G82), D84 (= D83), T87 (≠ A86), T87 (≠ A86), M88 (≠ L87), M88 (≠ L87), A91 (= A90), D95 (≠ A94), D98 (≠ Q97), V99 (= V98), T102 (≠ V101), T102 (≠ V101), E134 (≠ G137), E156 (= E157), L159 (≠ I160)
Sites not aligning to the query:
- binding 4-phenylbenzenesulfonic acid: 7, 10, 11, 16, 17, 302, 302, 319, 456, 457, 485, 486, 523, 527, 535, 560, 575, 578, 578, 682, 683, 686
8oqlA Structure of mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with fragment-m-1
30% identity, 46% coverage: 31:205/383 of query aligns to 22:199/728 of 8oqlA
- binding Hexafluorophosphate anion: V37 (≠ A43), N39 (≠ D45), G75 (= G81), D77 (= D83), M81 (≠ L87), V92 (= V98), T95 (≠ V101), P148 (= P156), E149 (= E157), L152 (≠ I160), Q180 (≠ Y188)
- binding formamide: V78 (= V84), K79 (≠ R85)
Sites not aligning to the query:
8pf8A Structure of mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with fragment-m-72
30% identity, 46% coverage: 31:205/383 of query aligns to 23:200/729 of 8pf8A
- binding [2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boronic acid: G76 (= G81), F169 (≠ P176), N173 (≠ G180), S177 (≠ G184), I193 (≠ V198)
- binding bis[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-bis(oxidanyl)boranuide: M39 (≠ L44), N40 (≠ D45), E41 (≠ L46), T81 (≠ A86), D92 (≠ Q97), V93 (= V98)
- binding [(2~{R})-2,3-bis(oxidanyl)propoxy]-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]borinic acid: M39 (≠ L44), G77 (= G82), D78 (= D83), M82 (≠ L87), V93 (= V98)
- binding (2~{R})-3-bis[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]boranyloxypropane-1,2-diol: T152 (= T159), R184 (≠ Q189)
Sites not aligning to the query:
Query Sequence
>7025616 FitnessBrowser__ANA3:7025616
MTNLVDKAAHTSTTQNVVFQTLATASGKLVGVVTLNVEKALNALDLDMVRAMTVQLNLWK
KDPLIACVVLDGSGEKAFCAGGDVRALYHASVAAKGQVTEVAKVFFEEEYRLDYLLHTYG
KPVLVWGDGIVMGGGLGLMAGASHRVVTETSRIAMPEVTIGLYPDVGGSYFLNRMPGKMG
LFLGLTAYQMNAADACYVGLADHYLNRDDKELMFDAMATLDWSDTPALNHQRLDTMINEL
SNQVDIPKGDSLLAESQEMIDRLMAGSLTDIVSRMSTLSTEEAWLNKACATMLAGSPISW
HLAYIQTQLGTKLSLAQCFKWELTVSVNTCAKGDFCEGVRALLIDKDRQPKWQFADVQSV
PNSVIEDILTSPWGEEHPLSQLS
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