SitesBLAST
Comparing WP_012973695.1 NCBI__GCF_000010725.1:WP_012973695.1 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)
60% identity, 94% coverage: 4:143/149 of query aligns to 7:147/157 of P15474
- R24 (= R21) 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)
60% identity, 94% coverage: 4:143/149 of query aligns to 5:145/149 of 2cjfA
- binding (1s,4s,5s)-1,4,5-trihydroxy-3-[3-(phenylthio)phenyl]cyclohex-2-ene-1-carboxylic acid: N15 (= N14), L16 (= L15), L18 (≠ M17), L19 (= L18), R22 (= R21), Y27 (= Y26), N78 (= N77), A80 (≠ G79), A81 (= A80), H84 (= H83), H105 (= H103), I106 (≠ L104), S107 (= S105), R116 (= R114)
2bt4A Type ii dehydroquinase inhibitor complex (see paper)
60% identity, 94% coverage: 4:143/149 of query aligns to 5:145/149 of 2bt4A
- binding (1s,3r,4r,5s)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid: N15 (= N14), L18 (≠ M17), R22 (= R21), Y27 (= Y26), N78 (= N77), A80 (≠ G79), A81 (= A80), H84 (= H83), H105 (= H103), I106 (≠ L104), S107 (= S105), R116 (= R114)
1gu1A Crystal structure of type ii dehydroquinase from streptomyces coelicolor complexed with 2,3-anhydro-quinic acid (see paper)
60% identity, 94% coverage: 4:143/149 of query aligns to 5:145/149 of 1gu1A
- active site: P14 (= P13), N15 (= N14), R22 (= R21), Y27 (= Y26), N78 (= N77), A81 (= A80), E103 (= E101), H105 (= H103), R112 (= R110)
- binding 2,3 -anhydro-quinic acid: Y27 (= Y26), N78 (= N77), A80 (≠ G79), A81 (= A80), H84 (= H83), H105 (= H103), I106 (≠ L104), S107 (= S105), R116 (= R114)
- binding glycerol: N15 (= N14), L16 (= L15), L19 (= L18), Y27 (= Y26)
1v1jA Crystal structure of type ii dehydroquintae dehydratase from streptomyces coelicolor in complex with 3-fluoro (see paper)
60% identity, 94% coverage: 4:143/149 of query aligns to 6:146/150 of 1v1jA
- active site: P15 (= P13), N16 (= N14), R23 (= R21), Y28 (= Y26), N79 (= N77), A82 (= A80), E104 (= E101), H106 (= H103), R113 (= R110)
- binding 2-anhydro-3-fluoro-quinic acid: Y28 (= Y26), N79 (= N77), A81 (≠ G79), A82 (= A80), H85 (= H83), H106 (= H103), I107 (≠ L104), S108 (= S105), R117 (= R114)
1gtzA Structure of streptomyces coelicolor type ii dehydroquinase r23a mutant in complex with dehydroshikimate (see paper)
59% identity, 94% coverage: 4:143/149 of query aligns to 5:145/149 of 1gtzA
- active site: P14 (= P13), N15 (= N14), A22 (≠ R21), Y27 (= Y26), N78 (= N77), A81 (= A80), E103 (= E101), H105 (= H103), R112 (= R110)
- binding 3-dehydroshikimate: Y27 (= Y26), A80 (≠ G79), A81 (= A80), H84 (= H83), H105 (= H103), I106 (≠ L104), S107 (= S105), R116 (= R114)
8idrC Crystal structure of apo-form of dehydroquinate dehydratase from corynebacterium glutamicum (see paper)
54% identity, 94% coverage: 6:145/149 of query aligns to 3:142/147 of 8idrC
8iduA Crystal structure of substrate bound-form dehydroquinate dehydratase from corynebacterium glutamicum (see paper)
54% identity, 94% coverage: 6:145/149 of query aligns to 3:142/145 of 8iduA
- binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: Y23 (= Y26), N74 (= N77), G76 (= G79), G77 (≠ A80), H80 (= H83), H100 (= H103), I101 (≠ L104), S102 (= S105), R111 (= R114)
5ydbA Crystal structure of the complex of type ii dehydroquinate dehydratase from acinetobacter baumannii with dehydroquinic acid at 1.76 angstrom resolution
52% identity, 91% coverage: 5:140/149 of query aligns to 1:137/145 of 5ydbA
- active site: P9 (= P13), N10 (= N14), R17 (= R21), Y22 (= Y26), N74 (= N77), A77 (= A80), E98 (= E101), H100 (= H103), R107 (= R110)
- binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: N74 (= N77), A76 (≠ G79), A77 (= A80), H80 (= H83), H100 (= H103), L101 (= L104), S102 (= S105), R111 (= R114)
5b6pB Structure of the dodecameric type-ii dehydrogenate dehydratase from acinetobacter baumannii at 2.00 a resolution (see paper)
52% identity, 91% coverage: 5:140/149 of query aligns to 1:137/145 of 5b6pB
- active site: P9 (= P13), N10 (= N14), R17 (= R21), Y22 (= Y26), N74 (= N77), A77 (= A80), E98 (= E101), H100 (= H103), R107 (= R110)
- binding sulfate ion: N74 (= N77), H100 (= H103), L101 (= L104), S102 (= S105)
4cl0A Structure of the mycobacterium tuberculosis type ii dehydroquinase inhibited by a 3-dehydroquinic acid derivative
49% identity, 91% coverage: 9:144/149 of query aligns to 5:140/140 of 4cl0A
- active site: P9 (= P13), N10 (= N14), R17 (= R21), Y22 (= Y26), N73 (= N77), G76 (≠ A80), E97 (= E101), H99 (= H103), R106 (= R110)
- binding (2r)-2-methyl-3-dehydroquinic acid: R17 (= R21), Y22 (= Y26), N73 (= N77), G75 (= G79), G76 (≠ A80), H79 (= H83), H99 (= H103), I100 (≠ L104), S101 (= S105), R110 (= R114)
3n76A Crystal structure of 3-dehydroquinate dehydratase from mycobacterium tuberculosis in complex with compound 5 (see paper)
49% identity, 91% coverage: 9:144/149 of query aligns to 6:141/143 of 3n76A
- active site: P10 (= P13), N11 (= N14), R18 (= R21), Y23 (= Y26), N74 (= N77), G77 (≠ A80), E98 (= E101), H100 (= H103), R107 (= R110)
- binding (1s,3r,4r,5s)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid: N11 (= N14), R14 (≠ M17), R18 (= R21), Y23 (= Y26), N74 (= N77), G76 (= G79), G77 (≠ A80), H80 (= H83), H100 (= H103), I101 (≠ L104), S102 (= S105), R111 (= R114)
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)
49% identity, 91% coverage: 9:144/149 of query aligns to 5:140/141 of 4kiwA
- active site: P9 (= P13), N10 (= N14), R17 (= R21), Y22 (= Y26), N73 (= N77), G76 (≠ A80), E97 (= E101), H99 (= H103), R106 (= R110)
- binding 5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid: N10 (= N14), L11 (= L15), R13 (≠ M17), L14 (= L18), Y22 (= Y26), N73 (= N77), G75 (= G79), G76 (≠ A80), H79 (= H83), H99 (= H103), I100 (≠ L104), S101 (= S105), V103 (≠ I107), R110 (= R114)
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)
49% identity, 91% coverage: 9:144/149 of query aligns to 5:140/141 of 4kiuA
- active site: P9 (= P13), N10 (= N14), R17 (= R21), Y22 (= Y26), N73 (= N77), G76 (≠ A80), E97 (= E101), H99 (= H103), R106 (= R110)
- binding 5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid: N10 (= N14), R13 (≠ M17), L14 (= L18), E18 (= E22), Y22 (= Y26), G75 (= G79), H79 (= H83), H99 (= H103), I100 (≠ L104), S101 (= S105), R110 (= R114)
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)
49% identity, 91% coverage: 9:144/149 of query aligns to 5:140/141 of 4ciwA
- active site: P9 (= P13), N10 (= N14), R17 (= R21), Y22 (= Y26), N73 (= N77), G76 (≠ A80), E97 (= E101), H99 (= H103), R106 (= R110)
- binding (1R,4R,5R)-1,4,5-trihydroxy-3-(2-hydroxy)ethylcyclohex-2-ene-1-carboxylic acid: Y22 (= Y26), N73 (= N77), G75 (= G79), G76 (≠ A80), H79 (= H83), H99 (= H103), I100 (≠ L104), S101 (= S105), R110 (= R114)
4b6oA Structure of mycobacterium tuberculosis type ii dehydroquinase inhibited by (2s)-2-(4-methoxy)benzyl-3-dehydroquinic acid (see paper)
49% identity, 91% coverage: 9:144/149 of query aligns to 6:141/142 of 4b6oA
- active site: P10 (= P13), N11 (= N14), R18 (= R21), Y23 (= Y26), N74 (= N77), G77 (≠ A80), E98 (= E101), H100 (= H103), R107 (= R110)
- binding (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: N11 (= N14), N74 (= N77), G76 (= G79), G77 (≠ A80), H80 (= H83), H100 (= H103), I101 (≠ L104), S102 (= S105), R111 (= R114)
3n87A Crystal structure of 3-dehydroquinate dehydratase from mycobacterium tuberculosis in complex with inhibitor 3 (see paper)
49% identity, 91% coverage: 9:144/149 of query aligns to 5:140/141 of 3n87A
- active site: P9 (= P13), N10 (= N14), R17 (= R21), Y22 (= Y26), N73 (= N77), G76 (≠ A80), E97 (= E101), H99 (= H103), R106 (= R110)
- binding (1R,4R,5R)-1,4,5-trihydroxy-3-[3-(phenylcarbonyl)phenyl]cyclohex-2-ene-1-carboxylic acid: N10 (= N14), Y22 (= Y26), N73 (= N77), G75 (= G79), G76 (≠ A80), H79 (= H83), H99 (= H103), I100 (≠ L104), S101 (= S105), R110 (= R114)
3n86A Crystal structure of 3-dehydroquinate dehydratase from mycobacterium tuberculosis in complex with inhibitor 4 (see paper)
49% identity, 91% coverage: 9:144/149 of query aligns to 5:140/141 of 3n86A
- active site: P9 (= P13), N10 (= N14), R17 (= R21), Y22 (= Y26), N73 (= N77), G76 (≠ A80), E97 (= E101), H99 (= H103), R106 (= R110)
- binding (1R,5R)-1,5-dihydroxy-4-oxo-3-[3-oxo-3-(phenylamino)propyl]cyclohex-2-ene-1-carboxylic acid: N10 (= N14), R13 (≠ M17), E18 (= E22), Y22 (= Y26), N73 (= N77), G75 (= G79), G76 (≠ A80), H79 (= H83), D86 (= D90), E90 (≠ L94), H99 (= H103), I100 (≠ L104), S101 (= S105), R110 (= R114)
3n59C Type ii dehydroquinase from mycobacterium tuberculosis complexed with 3-dehydroshikimate (see paper)
49% identity, 91% coverage: 9:144/149 of query aligns to 6:141/142 of 3n59C
- active site: P10 (= P13), N11 (= N14), R18 (= R21), N74 (= N77), G77 (≠ A80), E98 (= E101), H100 (= H103), R107 (= R110)
- binding (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid: R18 (= R21), Y23 (= Y26), G76 (= G79), G77 (≠ A80), H80 (= H83), H100 (= H103), I101 (≠ L104), S102 (= S105), R111 (= R114)
2xb8A Structure of mycobacterium tuberculosis type ii dehydroquinase in complex with inhibitor compound (2r)-2-(4-methoxybenzyl)-3- dehydroquinic acid (see paper)
49% identity, 91% coverage: 9:144/149 of query aligns to 5:140/141 of 2xb8A
- active site: P9 (= P13), N10 (= N14), R17 (= R21), Y22 (= Y26), N73 (= N77), G76 (≠ A80), E97 (= E101), H99 (= H103), R106 (= R110)
- binding (1r,2r,4s,5r)-1,4,5-trihydroxy-2-(4-methoxybenzyl)-3-oxocyclohexanecarboxylic acid: N10 (= N14), L11 (= L15), Y22 (= Y26), N73 (= N77), G75 (= G79), G76 (≠ A80), H79 (= H83), H99 (= H103), I100 (≠ L104), S101 (= S105), V103 (≠ I107), R110 (= R114)
Query Sequence
>WP_012973695.1 NCBI__GCF_000010725.1:WP_012973695.1
MAIDASILVLNGPNLNMLGVREPQIYGSMTLDDLEAACHERADTLGLTVDFRQSNHEGEL
VSWIQQARTENDGIVINAGAYTHTSVAIMDSLILSELPVIEVHLSNIFKREPVRHHSYIS
PVARGMICGFGPHGYLLALDAIANIIDRD
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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