SitesBLAST
Comparing WP_012707678.1 NCBI__GCF_000018545.1:WP_012707678.1 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)
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)
52% identity, 96% coverage: 2:143/148 of query aligns to 7:149/157 of P15474
- R24 (= R19) 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)
52% identity, 96% coverage: 2:143/148 of query aligns to 5:147/149 of 2cjfA
- binding (1s,4s,5s)-1,4,5-trihydroxy-3-[3-(phenylthio)phenyl]cyclohex-2-ene-1-carboxylic acid: N15 (= N12), L16 (= L13), L18 (≠ A15), L19 (= L16), R22 (= R19), Y27 (= Y24), N78 (= N75), A80 (= A77), A81 (= A78), H84 (= H81), H105 (= H101), I106 (≠ L102), S107 (= S103), R116 (= R112)
2bt4A Type ii dehydroquinase inhibitor complex (see paper)
52% identity, 96% coverage: 2:143/148 of query aligns to 5:147/149 of 2bt4A
- binding (1s,3r,4r,5s)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid: N15 (= N12), L18 (≠ A15), R22 (= R19), Y27 (= Y24), N78 (= N75), A80 (= A77), A81 (= A78), H84 (= H81), H105 (= H101), I106 (≠ L102), S107 (= S103), R116 (= R112)
1gu1A Crystal structure of type ii dehydroquinase from streptomyces coelicolor complexed with 2,3-anhydro-quinic acid (see paper)
52% identity, 96% coverage: 2:143/148 of query aligns to 5:147/149 of 1gu1A
- active site: P14 (= P11), N15 (= N12), R22 (= R19), Y27 (= Y24), N78 (= N75), A81 (= A78), E103 (= E99), H105 (= H101), R112 (= R108)
- binding 2,3 -anhydro-quinic acid: Y27 (= Y24), N78 (= N75), A80 (= A77), A81 (= A78), H84 (= H81), H105 (= H101), I106 (≠ L102), S107 (= S103), R116 (= R112)
- binding glycerol: N15 (= N12), L16 (= L13), L19 (= L16), Y27 (= Y24)
1v1jA Crystal structure of type ii dehydroquintae dehydratase from streptomyces coelicolor in complex with 3-fluoro (see paper)
52% identity, 96% coverage: 2:143/148 of query aligns to 6:148/150 of 1v1jA
- active site: P15 (= P11), N16 (= N12), R23 (= R19), Y28 (= Y24), N79 (= N75), A82 (= A78), E104 (= E99), H106 (= H101), R113 (= R108)
- binding 2-anhydro-3-fluoro-quinic acid: Y28 (= Y24), N79 (= N75), A81 (= A77), A82 (= A78), H85 (= H81), H106 (= H101), I107 (≠ L102), S108 (= S103), R117 (= R112)
1gtzA Structure of streptomyces coelicolor type ii dehydroquinase r23a mutant in complex with dehydroshikimate (see paper)
51% identity, 96% coverage: 2:143/148 of query aligns to 5:147/149 of 1gtzA
- active site: P14 (= P11), N15 (= N12), A22 (≠ R19), Y27 (= Y24), N78 (= N75), A81 (= A78), E103 (= E99), H105 (= H101), R112 (= R108)
- binding 3-dehydroshikimate: Y27 (= Y24), A80 (= A77), A81 (= A78), H84 (= H81), H105 (= H101), I106 (≠ L102), S107 (= S103), R116 (= R112)
8idrC Crystal structure of apo-form of dehydroquinate dehydratase from corynebacterium glutamicum (see paper)
53% identity, 94% coverage: 5:143/148 of query aligns to 4:142/147 of 8idrC
3n8kM Type ii dehydroquinase from mycobacterium tuberculosis complexed with citrazinic acid (see paper)
46% identity, 95% coverage: 1:140/148 of query aligns to 7:147/151 of 3n8kM
- active site: P18 (= P11), N19 (= N12), N82 (= N75), G85 (≠ A78), E106 (= E99), H108 (= H101), R115 (= R108)
- binding 2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid: R26 (= R19), Y31 (= Y24), N82 (= N75), G84 (≠ A77), H88 (= H81), H108 (= H101), I109 (≠ L102), S110 (= S103), R119 (= R112)
5ydbA Crystal structure of the complex of type ii dehydroquinate dehydratase from acinetobacter baumannii with dehydroquinic acid at 1.76 angstrom resolution
50% identity, 91% coverage: 3:137/148 of query aligns to 1:136/145 of 5ydbA
- active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N74 (= N75), A77 (= A78), E98 (= E99), H100 (= H101), R107 (= R108)
- binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: N74 (= N75), A76 (= A77), A77 (= A78), H80 (= H81), H100 (= H101), L101 (= L102), S102 (= S103), R111 (= R112)
5b6pB Structure of the dodecameric type-ii dehydrogenate dehydratase from acinetobacter baumannii at 2.00 a resolution (see paper)
50% identity, 91% coverage: 3:137/148 of query aligns to 1:136/145 of 5b6pB
- active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N74 (= N75), A77 (= A78), E98 (= E99), H100 (= H101), R107 (= R108)
- binding sulfate ion: N74 (= N75), H100 (= H101), L101 (= L102), S102 (= S103)
8iduA Crystal structure of substrate bound-form dehydroquinate dehydratase from corynebacterium glutamicum (see paper)
52% identity, 94% coverage: 5:143/148 of query aligns to 4:142/145 of 8iduA
- binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: Y23 (= Y24), N74 (= N75), G76 (≠ A77), G77 (≠ A78), H80 (= H81), H100 (= H101), I101 (≠ L102), S102 (= S103), R111 (= R112)
4cl0A Structure of the mycobacterium tuberculosis type ii dehydroquinase inhibited by a 3-dehydroquinic acid derivative
46% identity, 91% coverage: 7:140/148 of query aligns to 5:138/140 of 4cl0A
- active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N73 (= N75), G76 (≠ A78), E97 (= E99), H99 (= H101), R106 (= R108)
- binding (2r)-2-methyl-3-dehydroquinic acid: R17 (= R19), Y22 (= Y24), N73 (= N75), G75 (≠ A77), G76 (≠ A78), H79 (= H81), H99 (= H101), I100 (≠ L102), S101 (= S103), R110 (= R112)
3n76A Crystal structure of 3-dehydroquinate dehydratase from mycobacterium tuberculosis in complex with compound 5 (see paper)
46% identity, 91% coverage: 7:140/148 of query aligns to 6:139/143 of 3n76A
- active site: P10 (= P11), N11 (= N12), R18 (= R19), Y23 (= Y24), N74 (= N75), G77 (≠ A78), E98 (= E99), H100 (= H101), R107 (= R108)
- binding (1s,3r,4r,5s)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid: N11 (= N12), R14 (≠ A15), R18 (= R19), Y23 (= Y24), N74 (= N75), G76 (≠ A77), G77 (≠ A78), H80 (= H81), H100 (= H101), I101 (≠ L102), S102 (= S103), R111 (= R112)
4b6pA Structure of mycobacterium tuberculosis type ii dehydroquinase inhibited by (2s)-2-perfluorobenzyl-3-dehydroquinic acid (see paper)
46% identity, 91% coverage: 7:140/148 of query aligns to 5:138/142 of 4b6pA
- active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N73 (= N75), G76 (≠ A78), E97 (= E99), H99 (= H101), R106 (= R108)
- binding (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: N10 (= N12), L14 (= L16), R17 (= R19), Y22 (= Y24), N73 (= N75), G75 (≠ A77), G76 (≠ A78), H79 (= H81), H99 (= H101), I100 (≠ L102), S101 (= S103), R110 (= R112)
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)
46% identity, 91% coverage: 7:140/148 of query aligns to 5:138/141 of 4kiwA
- active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N73 (= N75), G76 (≠ A78), E97 (= E99), H99 (= H101), R106 (= R108)
- binding 5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid: N10 (= N12), L11 (= L13), R13 (≠ A15), L14 (= L16), Y22 (= Y24), N73 (= N75), G75 (≠ A77), G76 (≠ A78), H79 (= H81), H99 (= H101), I100 (≠ L102), S101 (= S103), V103 (≠ I105), R110 (= R112)
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)
46% identity, 91% coverage: 7:140/148 of query aligns to 5:138/141 of 4kiuA
- active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N73 (= N75), G76 (≠ A78), E97 (= E99), H99 (= H101), R106 (= R108)
- binding 5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid: N10 (= N12), R13 (≠ A15), L14 (= L16), E18 (= E20), Y22 (= Y24), G75 (≠ A77), H79 (= H81), H99 (= H101), I100 (≠ L102), S101 (= S103), R110 (= R112)
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)
46% identity, 91% coverage: 7:140/148 of query aligns to 5:138/141 of 4ciwA
- active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N73 (= N75), G76 (≠ A78), E97 (= E99), H99 (= H101), R106 (= R108)
- binding (1R,4R,5R)-1,4,5-trihydroxy-3-(2-hydroxy)ethylcyclohex-2-ene-1-carboxylic acid: Y22 (= Y24), N73 (= N75), G75 (≠ A77), G76 (≠ A78), H79 (= H81), H99 (= H101), I100 (≠ L102), S101 (= S103), R110 (= R112)
4b6oA Structure of mycobacterium tuberculosis type ii dehydroquinase inhibited by (2s)-2-(4-methoxy)benzyl-3-dehydroquinic acid (see paper)
46% identity, 91% coverage: 7:140/148 of query aligns to 6:139/142 of 4b6oA
- active site: P10 (= P11), N11 (= N12), R18 (= R19), Y23 (= Y24), N74 (= N75), G77 (≠ A78), E98 (= E99), H100 (= H101), R107 (= R108)
- binding (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: N11 (= N12), N74 (= N75), G76 (≠ A77), G77 (≠ A78), H80 (= H81), H100 (= H101), I101 (≠ L102), S102 (= S103), R111 (= R112)
3n87A Crystal structure of 3-dehydroquinate dehydratase from mycobacterium tuberculosis in complex with inhibitor 3 (see paper)
46% identity, 91% coverage: 7:140/148 of query aligns to 5:138/141 of 3n87A
- active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N73 (= N75), G76 (≠ A78), E97 (= E99), H99 (= H101), R106 (= R108)
- binding (1R,4R,5R)-1,4,5-trihydroxy-3-[3-(phenylcarbonyl)phenyl]cyclohex-2-ene-1-carboxylic acid: N10 (= N12), Y22 (= Y24), N73 (= N75), G75 (≠ A77), G76 (≠ A78), H79 (= H81), H99 (= H101), I100 (≠ L102), S101 (= S103), R110 (= R112)
3n86A Crystal structure of 3-dehydroquinate dehydratase from mycobacterium tuberculosis in complex with inhibitor 4 (see paper)
46% identity, 91% coverage: 7:140/148 of query aligns to 5:138/141 of 3n86A
- active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N73 (= N75), G76 (≠ A78), E97 (= E99), H99 (= H101), R106 (= R108)
- binding (1R,5R)-1,5-dihydroxy-4-oxo-3-[3-oxo-3-(phenylamino)propyl]cyclohex-2-ene-1-carboxylic acid: N10 (= N12), R13 (≠ A15), E18 (= E20), Y22 (= Y24), N73 (= N75), G75 (≠ A77), G76 (≠ A78), H79 (= H81), D86 (= D88), E90 (≠ A92), H99 (= H101), I100 (≠ L102), S101 (= S103), R110 (= R112)
Query Sequence
>WP_012707678.1 NCBI__GCF_000018545.1:WP_012707678.1
MSSTIFVLNGPNLNALGKREPGIYGGQTLADIEAMCKAEGNLLGFDVDFRQSNVEGVLVD
WLHEAGEVAAGVAINPAAYGHTSIAMHDAIRAIAVPVVELHLSNIHAREEFRHKSMIAPA
VKGVICGFGAQSYILALHALKNLTNTSK
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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