SitesBLAST
Comparing WP_010964217.1 NCBI__GCF_000008765.1:WP_010964217.1 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)
6hsaA The crystal structure of type ii dehydroquinase from butyrivibrio crossotus dsm 2876
61% identity, 96% coverage: 1:138/144 of query aligns to 4:143/145 of 6hsaA
6hs9A The crystal structure of type ii dehydroquinase from butyrivibrio crossotus dsm 2876
61% identity, 96% coverage: 1:138/144 of query aligns to 4:143/145 of 6hs9A
- active site: P12 (= P9), N13 (= N10), R20 (= R17), Y25 (= Y22), N77 (= N73), A80 (= A76), E102 (= E97), H104 (= H99), R111 (= R106)
- binding (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid: R20 (= R17), Y25 (= Y22), G79 (= G75), A80 (= A76), H83 (= H79), I105 (= I100), S106 (= S101), R115 (= R110)
8idrC Crystal structure of apo-form of dehydroquinate dehydratase from corynebacterium glutamicum (see paper)
49% identity, 97% coverage: 2:141/144 of query aligns to 3:142/147 of 8idrC
8iduA Crystal structure of substrate bound-form dehydroquinate dehydratase from corynebacterium glutamicum (see paper)
49% identity, 97% coverage: 2:141/144 of query aligns to 3:142/145 of 8iduA
- binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: Y23 (= Y22), N74 (= N73), G76 (= G75), G77 (≠ A76), H80 (= H79), H100 (= H99), I101 (= I100), S102 (= S101), R111 (= R110)
2c4wA Type ii dehydroquinase from h. Pylori in complex with ah9095 (see paper)
46% identity, 100% coverage: 1:144/144 of query aligns to 10:156/168 of 2c4wA
- active site: P18 (= P9), N19 (= N10), R26 (= R17), Y31 (= Y22), N85 (= N73), A88 (= A76), E109 (= E97), H111 (= H99), R118 (= R106)
- binding n-tetrazol-5-yl 9-oxo-9h-xanthene-2 sulphonamide: L20 (≠ I11), L23 (= L14), D27 (≠ E18), G87 (= G75), H91 (= H79), H111 (= H99), L112 (≠ I100), T113 (≠ S101), I115 (= I103), R122 (= R110)
Q48255 3-dehydroquinate dehydratase; 3-dehydroquinase; Type II DHQase; EC 4.2.1.10 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
46% identity, 100% coverage: 1:144/144 of query aligns to 1:147/167 of Q48255
- N76 (= N73) binding substrate
- H82 (= H79) binding substrate
- D89 (= D86) binding substrate
- R113 (= R110) binding substrate
4b6rA Structure of helicobacter pylori type ii dehydroquinase inhibited by (2s)-2-(4-methoxy)benzyl-3-dehydroquinic acid (see paper)
46% identity, 100% coverage: 1:144/144 of query aligns to 1:147/157 of 4b6rA
- active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N76 (= N73), A79 (= A76), E100 (= E97), H102 (= H99), R109 (= R106)
- binding (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: Y22 (= Y22), N76 (= N73), G78 (= G75), A79 (= A76), H82 (= H79), D89 (= D86), L93 (≠ S90), H102 (= H99), L103 (≠ I100), T104 (≠ S101), R113 (= R110)
2xd9A Structure of helicobacter pylori type ii dehydroquinase in complex with inhibitor compound (4r,6r,7s)-4,6,7-trihydroxy-2-((e)-prop-1- enyl)-4,5,6,7-tetrahydrobenzo(b)thiophene-4-carboxylic acid (see paper)
46% identity, 100% coverage: 1:144/144 of query aligns to 1:147/153 of 2xd9A
- active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N76 (= N73), A79 (= A76), E100 (= E97), H102 (= H99), R109 (= R106)
- binding (4r,6r,7s)-4,6,7-trihydroxy-2-[(1e)-prop-1-en-1-yl]-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid: N10 (= N10), L14 (= L14), Y22 (= Y22), N76 (= N73), G78 (= G75), A79 (= A76), H82 (= H79), H102 (= H99), L103 (≠ I100), T104 (≠ S101), R113 (= R110)
2wksA Structure of helicobacter pylori type ii dehydroquinase with a new carbasugar-thiophene inhibitor. (see paper)
46% identity, 100% coverage: 1:144/144 of query aligns to 1:147/153 of 2wksA
- active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N76 (= N73), A79 (= A76), E100 (= E97), H102 (= H99), R109 (= R106)
- binding (1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid: L11 (≠ I11), Y22 (= Y22), N76 (= N73), G78 (= G75), A79 (= A76), H82 (= H79), H102 (= H99), L103 (≠ I100), T104 (≠ S101), R113 (= R110)
4b6sA Structure of helicobacter pylori type ii dehydroquinase inhibited by (2s)-2-perfluorobenzyl-3-dehydroquinic acid (see paper)
46% identity, 100% coverage: 1:144/144 of query aligns to 1:147/158 of 4b6sA
- active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N76 (= N73), A79 (= A76), E100 (= E97), H102 (= H99), R109 (= R106)
- binding (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: N10 (= N10), L14 (= L14), Y22 (= Y22), N76 (= N73), G78 (= G75), A79 (= A76), H82 (= H79), H102 (= H99), L103 (≠ I100), T104 (≠ S101), R113 (= R110)
2xb9A Structure of helicobacter pylori type ii dehydroquinase in complex with inhibitor compound (2r)-2-(4-methoxybenzyl)-3-dehydroquinic acid (see paper)
46% identity, 100% coverage: 1:144/144 of query aligns to 1:147/158 of 2xb9A
- active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N76 (= N73), A79 (= A76), E100 (= E97), H102 (= H99), R109 (= R106)
- binding (1r,2r,4s,5r)-1,4,5-trihydroxy-2-(4-methoxybenzyl)-3-oxocyclohexanecarboxylic acid: N10 (= N10), Y22 (= Y22), N76 (= N73), A79 (= A76), H82 (= H79), H102 (= H99), L103 (≠ I100), T104 (≠ S101), R113 (= R110)
1j2yA Crystal structure of the type ii 3-dehydroquinase (see paper)
46% identity, 100% coverage: 1:144/144 of query aligns to 1:147/158 of 1j2yA
- active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N76 (= N73), A79 (= A76), E100 (= E97), H102 (= H99), R109 (= R106)
- binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: Y22 (= Y22), N76 (= N73), G78 (= G75), H82 (= H79), H102 (= H99), L103 (≠ I100), T104 (≠ S101), R113 (= R110)
2xdaA Structure of helicobacter pylori type ii dehydroquinase in complex with inhibitor compound (4r,6r,7s)-2-(2-cyclopropyl)ethyl-4,6,7- trihydroxy-4,5,6,7-tetrahydrobenzo(b)thiophene-4-carboxylic acid (see paper)
46% identity, 100% coverage: 1:144/144 of query aligns to 1:147/150 of 2xdaA
- active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N76 (= N73), A79 (= A76), E100 (= E97), H102 (= H99), R109 (= R106)
- binding (4r,6r,7s)-2-(2-cyclopropylethyl)-4,6,7-trihydroxy-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid: N10 (= N10), L11 (≠ I11), M13 (≠ F13), Y22 (= Y22), N76 (= N73), A79 (= A76), H82 (= H79), H102 (= H99), L103 (≠ I100), T104 (≠ S101), R113 (= R110)
4cl0A Structure of the mycobacterium tuberculosis type ii dehydroquinase inhibited by a 3-dehydroquinic acid derivative
39% identity, 91% coverage: 5:135/144 of query aligns to 5:135/140 of 4cl0A
- active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N73 (= N73), G76 (≠ A76), E97 (= E97), H99 (= H99), R106 (= R106)
- binding (2r)-2-methyl-3-dehydroquinic acid: R17 (= R17), Y22 (= Y22), N73 (= N73), G75 (= G75), G76 (≠ A76), H79 (= H79), H99 (= H99), I100 (= I100), S101 (= S101), R110 (= R110)
4b6oA Structure of mycobacterium tuberculosis type ii dehydroquinase inhibited by (2s)-2-(4-methoxy)benzyl-3-dehydroquinic acid (see paper)
39% identity, 93% coverage: 5:138/144 of query aligns to 6:139/142 of 4b6oA
- active site: P10 (= P9), N11 (= N10), R18 (= R17), Y23 (= Y22), N74 (= N73), G77 (≠ A76), E98 (= E97), H100 (= H99), R107 (= R106)
- binding (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: N11 (= N10), N74 (= N73), G76 (= G75), G77 (≠ A76), H80 (= H79), H100 (= H99), I101 (= I100), S102 (= S101), R111 (= R110)
3n59C Type ii dehydroquinase from mycobacterium tuberculosis complexed with 3-dehydroshikimate (see paper)
39% identity, 93% coverage: 5:138/144 of query aligns to 6:139/142 of 3n59C
- active site: P10 (= P9), N11 (= N10), R18 (= R17), N74 (= N73), G77 (≠ A76), E98 (= E97), H100 (= H99), R107 (= R106)
- binding (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid: R18 (= R17), Y23 (= Y22), G76 (= G75), G77 (≠ A76), H80 (= H79), H100 (= H99), I101 (= I100), S102 (= S101), R111 (= R110)
3n8kM Type ii dehydroquinase from mycobacterium tuberculosis complexed with citrazinic acid (see paper)
39% identity, 93% coverage: 5:138/144 of query aligns to 14:147/151 of 3n8kM
- active site: P18 (= P9), N19 (= N10), N82 (= N73), G85 (≠ A76), E106 (= E97), H108 (= H99), R115 (= R106)
- binding 2,6-dioxo-1,2,3,6-tetrahydropyridine-4-carboxylic acid: R26 (= R17), Y31 (= Y22), N82 (= N73), G84 (= G75), H88 (= H79), H108 (= H99), I109 (= I100), S110 (= S101), R119 (= R110)
4b6pA Structure of mycobacterium tuberculosis type ii dehydroquinase inhibited by (2s)-2-perfluorobenzyl-3-dehydroquinic acid (see paper)
39% identity, 93% coverage: 5:138/144 of query aligns to 5:138/142 of 4b6pA
- active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N73 (= N73), G76 (≠ A76), E97 (= E97), H99 (= H99), R106 (= R106)
- binding (1R,2S,4S,5R)-2-(2,3,4,5,6-pentafluorophenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: N10 (= N10), L14 (= L14), R17 (= R17), Y22 (= Y22), N73 (= N73), G75 (= G75), G76 (≠ A76), H79 (= H79), H99 (= H99), I100 (= I100), S101 (= S101), R110 (= R110)
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)
39% identity, 93% coverage: 5:138/144 of query aligns to 5:138/141 of 4kiwA
- active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N73 (= N73), G76 (≠ A76), E97 (= E97), H99 (= H99), R106 (= R106)
- binding 5-[(3-nitrobenzyl)amino]benzene-1,3-dicarboxylic acid: N10 (= N10), L11 (≠ I11), R13 (≠ F13), L14 (= L14), Y22 (= Y22), N73 (= N73), G75 (= G75), G76 (≠ A76), H79 (= H79), H99 (= H99), I100 (= I100), S101 (= S101), V103 (≠ I103), R110 (= R110)
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)
39% identity, 93% coverage: 5:138/144 of query aligns to 5:138/141 of 4kiuA
- active site: P9 (= P9), N10 (= N10), R17 (= R17), Y22 (= Y22), N73 (= N73), G76 (≠ A76), E97 (= E97), H99 (= H99), R106 (= R106)
- binding 5-[(3-nitrobenzyl)oxy]benzene-1,3-dicarboxylic acid: N10 (= N10), R13 (≠ F13), L14 (= L14), E18 (= E18), Y22 (= Y22), G75 (= G75), H79 (= H79), H99 (= H99), I100 (= I100), S101 (= S101), R110 (= R110)
Query Sequence
>WP_010964217.1 NCBI__GCF_000008765.1:WP_010964217.1
MKILVINGPNINFLGIREKEIYGEGTYEDLCKFIKDEGSKIGIEVEVMQSNIEGEIINFL
QAAYNKVDGIVINPGAYTHYSIAIYDAIKSINIPTVEVHISNIHTREEYRRKSVTAPACI
GQICGFGFYGYVMGITALKNMLSK
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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