SitesBLAST
Comparing WP_012853276.1 NCBI__GCF_000024385.1:WP_012853276.1 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)
4cl0A Structure of the mycobacterium tuberculosis type ii dehydroquinase inhibited by a 3-dehydroquinic acid derivative
51% identity, 93% coverage: 4:141/149 of query aligns to 3:140/140 of 4cl0A
- active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N73 (= N74), G76 (≠ A77), E97 (= E98), H99 (= H100), R106 (= R107)
- binding (2r)-2-methyl-3-dehydroquinic acid: R17 (= R18), Y22 (= Y23), N73 (= N74), G75 (≠ A76), G76 (≠ A77), H79 (= H80), H99 (= H100), I100 (= I101), S101 (= S102), R110 (= R111)
4b6pA Structure of mycobacterium tuberculosis type ii dehydroquinase inhibited by (2s)-2-perfluorobenzyl-3-dehydroquinic acid (see paper)
51% identity, 93% coverage: 4:141/149 of query aligns to 3:140/142 of 4b6pA
- active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N73 (= N74), G76 (≠ A77), E97 (= E98), H99 (= H100), R106 (= R107)
- binding (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: N10 (= N11), L14 (= L15), R17 (= R18), Y22 (= Y23), N73 (= N74), G75 (≠ A76), G76 (≠ A77), H79 (= H80), H99 (= H100), I100 (= I101), S101 (= S102), R110 (= R111)
4kiwA Design and structural analysis of aromatic inhibitors of type ii dehydroquinate dehydratase from mycobacterium tuberculosis - compound 49e [5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid] (see paper)
51% identity, 93% coverage: 4:141/149 of query aligns to 3:140/141 of 4kiwA
- active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N73 (= N74), G76 (≠ A77), E97 (= E98), H99 (= H100), R106 (= R107)
- binding 5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid: N10 (= N11), L11 (= L12), R13 (= R14), L14 (= L15), Y22 (= Y23), N73 (= N74), G75 (≠ A76), G76 (≠ A77), H79 (= H80), H99 (= H100), I100 (= I101), S101 (= S102), V103 (≠ P104), R110 (= R111)
4kiuA Design and structural analysis of aromatic inhibitors of type ii dehydroquinate dehydratase from mycobacterium tuberculosis - compound 49d [5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid] (see paper)
51% identity, 93% coverage: 4:141/149 of query aligns to 3:140/141 of 4kiuA
- active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N73 (= N74), G76 (≠ A77), E97 (= E98), H99 (= H100), R106 (= R107)
- binding 5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid: N10 (= N11), R13 (= R14), L14 (= L15), E18 (= E19), Y22 (= Y23), G75 (≠ A76), H79 (= H80), H99 (= H100), I100 (= I101), S101 (= S102), R110 (= R111)
4ciwA Crystal structure of mycobacterium tuberculosis type 2 dehydroquinase in complex with (1r,4r,5r)-1,4,5-trihydroxy-3-(2-hydroxy) ethylcyclohex-2-ene-1-carboxylic acid (see paper)
51% identity, 93% coverage: 4:141/149 of query aligns to 3:140/141 of 4ciwA
- active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N73 (= N74), G76 (≠ A77), E97 (= E98), H99 (= H100), R106 (= R107)
- binding (1R,4R,5R)-1,4,5-trihydroxy-3-(2-hydroxy)ethylcyclohex-2-ene-1-carboxylic acid: Y22 (= Y23), N73 (= N74), G75 (≠ A76), G76 (≠ A77), H79 (= H80), H99 (= H100), I100 (= I101), S101 (= S102), R110 (= R111)
3n87A Crystal structure of 3-dehydroquinate dehydratase from mycobacterium tuberculosis in complex with inhibitor 3 (see paper)
51% identity, 93% coverage: 4:141/149 of query aligns to 3:140/141 of 3n87A
- active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N73 (= N74), G76 (≠ A77), E97 (= E98), H99 (= H100), R106 (= R107)
- binding (1R,4R,5R)-1,4,5-trihydroxy-3-[3-(phenylcarbonyl)phenyl]cyclohex-2-ene-1-carboxylic acid: N10 (= N11), Y22 (= Y23), N73 (= N74), G75 (≠ A76), G76 (≠ A77), H79 (= H80), H99 (= H100), I100 (= I101), S101 (= S102), R110 (= R111)
3n86A Crystal structure of 3-dehydroquinate dehydratase from mycobacterium tuberculosis in complex with inhibitor 4 (see paper)
51% identity, 93% coverage: 4:141/149 of query aligns to 3:140/141 of 3n86A
- active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N73 (= N74), G76 (≠ A77), E97 (= E98), H99 (= H100), R106 (= R107)
- binding (1R,5R)-1,5-dihydroxy-4-oxo-3-[3-oxo-3-(phenylamino)propyl]cyclohex-2-ene-1-carboxylic acid: N10 (= N11), R13 (= R14), E18 (= E19), Y22 (= Y23), N73 (= N74), G75 (≠ A76), G76 (≠ A77), H79 (= H80), D86 (= D87), E90 (≠ Q91), H99 (= H100), I100 (= I101), S101 (= S102), R110 (= R111)
2xb8A Structure of mycobacterium tuberculosis type ii dehydroquinase in complex with inhibitor compound (2r)-2-(4-methoxybenzyl)-3- dehydroquinic acid (see paper)
51% identity, 93% coverage: 4:141/149 of query aligns to 3:140/141 of 2xb8A
- active site: P9 (= P10), N10 (= N11), R17 (= R18), Y22 (= Y23), N73 (= N74), G76 (≠ A77), E97 (= E98), H99 (= H100), R106 (= R107)
- binding (1r,2r,4s,5r)-1,4,5-trihydroxy-2-(4-methoxybenzyl)-3-oxocyclohexanecarboxylic acid: N10 (= N11), L11 (= L12), Y22 (= Y23), N73 (= N74), G75 (≠ A76), G76 (≠ A77), H79 (= H80), H99 (= H100), I100 (= I101), S101 (= S102), V103 (≠ P104), R110 (= R111)
4b6oA Structure of mycobacterium tuberculosis type ii dehydroquinase inhibited by (2s)-2-(4-methoxy)benzyl-3-dehydroquinic acid (see paper)
51% identity, 93% coverage: 4:141/149 of query aligns to 4:141/142 of 4b6oA
- active site: P10 (= P10), N11 (= N11), R18 (= R18), Y23 (= Y23), N74 (= N74), G77 (≠ A77), E98 (= E98), H100 (= H100), R107 (= R107)
- binding (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: N11 (= N11), N74 (= N74), G76 (≠ A76), G77 (≠ A77), H80 (= H80), H100 (= H100), I101 (= I101), S102 (= S102), R111 (= R111)
3n59C Type ii dehydroquinase from mycobacterium tuberculosis complexed with 3-dehydroshikimate (see paper)
51% identity, 93% coverage: 4:141/149 of query aligns to 4:141/142 of 3n59C
- active site: P10 (= P10), N11 (= N11), R18 (= R18), N74 (= N74), G77 (≠ A77), E98 (= E98), H100 (= H100), R107 (= R107)
- binding (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid: R18 (= R18), Y23 (= Y23), G76 (≠ A76), G77 (≠ A77), H80 (= H80), H100 (= H100), I101 (= I101), S102 (= S102), R111 (= R111)
3n8kM Type ii dehydroquinase from mycobacterium tuberculosis complexed with citrazinic acid (see paper)
51% identity, 93% coverage: 4:141/149 of query aligns to 12:149/151 of 3n8kM
- active site: P18 (= P10), N19 (= N11), N82 (= N74), G85 (≠ A77), E106 (= E98), H108 (= H100), R115 (= R107)
- binding 2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid: R26 (= R18), Y31 (= Y23), N82 (= N74), G84 (≠ A76), H88 (= H80), H108 (= H100), I109 (= I101), S110 (= S102), R119 (= R111)
3n76A Crystal structure of 3-dehydroquinate dehydratase from mycobacterium tuberculosis in complex with compound 5 (see paper)
51% identity, 93% coverage: 4:141/149 of query aligns to 4:141/143 of 3n76A
- active site: P10 (= P10), N11 (= N11), R18 (= R18), Y23 (= Y23), N74 (= N74), G77 (≠ A77), E98 (= E98), H100 (= H100), R107 (= R107)
- binding (1s,3r,4r,5s)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid: N11 (= N11), R14 (= R14), R18 (= R18), Y23 (= Y23), N74 (= N74), G76 (≠ A76), G77 (≠ A77), H80 (= H80), H100 (= H100), I101 (= I101), S102 (= S102), R111 (= R111)
4kijA Design and structural analysis of aromatic inhibitors of type ii dehydroquinase dehydratase from mycobacterium tuberculosis - compound 35c [3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid] (see paper)
51% identity, 93% coverage: 4:141/149 of query aligns to 4:141/142 of 4kijA
- active site: P10 (= P10), N11 (= N11), R18 (= R18), Y23 (= Y23), N74 (= N74), G77 (≠ A77), E98 (= E98), H100 (= H100), R107 (= R107)
- binding 3,4-dihydroxy-5-(3-nitrophenoxy)benzoic acid: E19 (= E19), Y23 (= Y23), N74 (= N74), G76 (≠ A76), H100 (= H100), I101 (= I101), S102 (= S102), R111 (= R111)
P15474 3-dehydroquinate dehydratase; 3-dehydroquinase; Type II DHQase; EC 4.2.1.10 from Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145) (see 2 papers)
46% identity, 98% coverage: 4:149/149 of query aligns to 10:156/157 of P15474
- R24 (= R18) mutation to A: Reduces kcat 30000-fold. Reduces KM for 3-dehydroquinate 6-fold.; mutation to K: Reduces kcat 2700-fold. Reduces KM for 3-dehydroquinate 4-fold.; mutation to Q: Reduces kcat 3100-fold. Reduces KM for 3-dehydroquinate 8-fold.
Sites not aligning to the query:
- 1 modified: Initiator methionine, Removed
2cjfA Type ii dehydroquinase inhibitor complex (see paper)
47% identity, 93% coverage: 4:142/149 of query aligns to 8:147/149 of 2cjfA
- binding (1s,4s,5s)-1,4,5-trihydroxy-3-[3-(phenylthio)phenyl]cyclohex-2-ene-1-carboxylic acid: N15 (= N11), L16 (= L12), L18 (≠ R14), L19 (= L15), R22 (= R18), Y27 (= Y23), N78 (= N74), A80 (= A76), A81 (= A77), H84 (= H80), H105 (= H100), I106 (= I101), S107 (= S102), R116 (= R111)
2bt4A Type ii dehydroquinase inhibitor complex (see paper)
47% identity, 93% coverage: 4:142/149 of query aligns to 8:147/149 of 2bt4A
- binding (1s,3r,4r,5s)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid: N15 (= N11), L18 (≠ R14), R22 (= R18), Y27 (= Y23), N78 (= N74), A80 (= A76), A81 (= A77), H84 (= H80), H105 (= H100), I106 (= I101), S107 (= S102), R116 (= R111)
1gu1A Crystal structure of type ii dehydroquinase from streptomyces coelicolor complexed with 2,3-anhydro-quinic acid (see paper)
47% identity, 93% coverage: 4:142/149 of query aligns to 8:147/149 of 1gu1A
- active site: P14 (= P10), N15 (= N11), R22 (= R18), Y27 (= Y23), N78 (= N74), A81 (= A77), E103 (= E98), H105 (= H100), R112 (= R107)
- binding 2,3 -anhydro-quinic acid: Y27 (= Y23), N78 (= N74), A80 (= A76), A81 (= A77), H84 (= H80), H105 (= H100), I106 (= I101), S107 (= S102), R116 (= R111)
- binding glycerol: N15 (= N11), L16 (= L12), L19 (= L15), Y27 (= Y23)
1v1jA Crystal structure of type ii dehydroquintae dehydratase from streptomyces coelicolor in complex with 3-fluoro (see paper)
47% identity, 93% coverage: 4:142/149 of query aligns to 9:148/150 of 1v1jA
- active site: P15 (= P10), N16 (= N11), R23 (= R18), Y28 (= Y23), N79 (= N74), A82 (= A77), E104 (= E98), H106 (= H100), R113 (= R107)
- binding 2-anhydro-3-fluoro-quinic acid: Y28 (= Y23), N79 (= N74), A81 (= A76), A82 (= A77), H85 (= H80), H106 (= H100), I107 (= I101), S108 (= S102), R117 (= R111)
2y71A Structure of mycobacterium tuberculosis type ii dehydroquinase complexed with (1r,4s,5r)-1,4,5-trihydroxy-3-((5-methylbenzo(b) thiophen-2-yl)methoxy)cyclohex-2-enecarboxylate (see paper)
50% identity, 91% coverage: 6:141/149 of query aligns to 5:137/138 of 2y71A
- active site: P9 (= P10), N10 (= N11), Y19 (= Y23), N70 (= N74), G73 (≠ A77), E94 (= E98), H96 (= H100), R103 (= R107)
- binding (1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid: N10 (= N11), R13 (= R14), Y19 (= Y23), N70 (= N74), G72 (≠ A76), G73 (≠ A77), H76 (= H80), H96 (= H100), I97 (= I101), S98 (= S102), R107 (= R111)
1gtzA Structure of streptomyces coelicolor type ii dehydroquinase r23a mutant in complex with dehydroshikimate (see paper)
46% identity, 93% coverage: 4:142/149 of query aligns to 8:147/149 of 1gtzA
- active site: P14 (= P10), N15 (= N11), A22 (≠ R18), Y27 (= Y23), N78 (= N74), A81 (= A77), E103 (= E98), H105 (= H100), R112 (= R107)
- binding 3-dehydroshikimate: Y27 (= Y23), A80 (= A76), A81 (= A77), H84 (= H80), H105 (= H100), I106 (= I101), S107 (= S102), R116 (= R111)
Query Sequence
>WP_012853276.1 NCBI__GCF_000024385.1:WP_012853276.1
MRHVLVLNGPNLRRLGTREPDVYGVQTFADLEALCRETGRRLSLHVDVRQTDDEAEMIRW
VHEAADSRLPIVINPAAFTHYSYALRDALAQRTAPLVEVHISNPAAREEFRHNSVVAGVA
DGTIAGFGLYSYVLALQAVAEMLAREEAR
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