SitesBLAST
Comparing WP_020176525.1 NCBI__GCF_000385335.1:WP_020176525.1 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)
53% identity, 93% coverage: 5:142/149 of query aligns to 10:148/157 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
1v1jA Crystal structure of type ii dehydroquintae dehydratase from streptomyces coelicolor in complex with 3-fluoro (see paper)
53% identity, 93% coverage: 5:142/149 of query aligns to 9:147/150 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 (≠ G77), A82 (= A78), H85 (= H81), H106 (= H101), I107 (≠ L102), S108 (= S103), R117 (= R112)
2cjfA Type ii dehydroquinase inhibitor complex (see paper)
53% identity, 93% coverage: 5:142/149 of query aligns to 8:146/149 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 (= L15), L19 (= L16), R22 (= R19), Y27 (= Y24), N78 (= N75), A80 (≠ G77), A81 (= A78), H84 (= H81), H105 (= H101), I106 (≠ L102), S107 (= S103), R116 (= R112)
2bt4A Type ii dehydroquinase inhibitor complex (see paper)
53% identity, 93% coverage: 5:142/149 of query aligns to 8:146/149 of 2bt4A
- binding (1s,3r,4r,5s)-1,3,4-trihydroxy-5-(3-phenoxypropyl)cyclohexanecarboxylic acid: N15 (= N12), L18 (= L15), R22 (= R19), Y27 (= Y24), N78 (= N75), A80 (≠ G77), 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)
53% identity, 93% coverage: 5:142/149 of query aligns to 8:146/149 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 (≠ G77), A81 (= A78), H84 (= H81), H105 (= H101), I106 (≠ L102), S107 (= S103), R116 (= R112)
- binding glycerol: N15 (= N12), L16 (= L13), L19 (= L16), Y27 (= Y24)
1gtzA Structure of streptomyces coelicolor type ii dehydroquinase r23a mutant in complex with dehydroshikimate (see paper)
53% identity, 93% coverage: 5:142/149 of query aligns to 8:146/149 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 (≠ G77), 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)
48% identity, 97% coverage: 5:148/149 of query aligns to 4:146/147 of 8idrC
5ydbA Crystal structure of the complex of type ii dehydroquinate dehydratase from acinetobacter baumannii with dehydroquinic acid at 1.76 angstrom resolution
53% identity, 90% coverage: 4:137/149 of query aligns to 2:136/145 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 (≠ G77), 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)
53% identity, 90% coverage: 4:137/149 of query aligns to 2:136/145 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)
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)
47% identity, 97% coverage: 5:149/149 of query aligns to 3:150/167 of Q48255
- N76 (= N75) binding substrate
- H82 (= H81) binding substrate
- D89 (= D88) binding substrate
- R113 (= R112) binding substrate
4b6rA Structure of helicobacter pylori type ii dehydroquinase inhibited by (2s)-2-(4-methoxy)benzyl-3-dehydroquinic acid (see paper)
47% identity, 97% coverage: 5:149/149 of query aligns to 3:150/157 of 4b6rA
- active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N76 (= N75), A79 (= A78), E100 (= E99), H102 (= H101), R109 (= R108)
- binding (1R,2S,4S,5R)-2-(4-methoxyphenyl)methyl-1,4,5-trihydroxy-3-oxocyclohexane-1-carboxylic acid: Y22 (= Y24), N76 (= N75), G78 (= G77), A79 (= A78), H82 (= H81), D89 (= D88), L93 (≠ G92), H102 (= H101), L103 (= L102), T104 (≠ S103), R113 (= R112)
8iduA Crystal structure of substrate bound-form dehydroquinate dehydratase from corynebacterium glutamicum (see paper)
47% identity, 95% coverage: 5:146/149 of query aligns to 4:144/145 of 8iduA
- binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: Y23 (= Y24), N74 (= N75), G76 (= G77), G77 (≠ A78), H80 (= H81), H100 (= H101), I101 (≠ L102), S102 (= S103), R111 (= R112)
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)
47% identity, 97% coverage: 5:149/149 of query aligns to 3:150/153 of 2xd9A
- active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N76 (= N75), A79 (= A78), E100 (= E99), H102 (= H101), R109 (= R108)
- 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 (= N12), L14 (= L16), Y22 (= Y24), N76 (= N75), G78 (= G77), A79 (= A78), H82 (= H81), H102 (= H101), L103 (= L102), T104 (≠ S103), R113 (= R112)
2wksA Structure of helicobacter pylori type ii dehydroquinase with a new carbasugar-thiophene inhibitor. (see paper)
47% identity, 97% coverage: 5:149/149 of query aligns to 3:150/153 of 2wksA
- active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N76 (= N75), A79 (= A78), E100 (= E99), H102 (= H101), R109 (= R108)
- binding (1R,4S,5R)-1,4,5-trihydroxy-3-[(5-methyl-1-benzothiophen-2-yl)methoxy]cyclohex-2-ene-1-carboxylic acid: L11 (= L13), Y22 (= Y24), N76 (= N75), G78 (= G77), A79 (= A78), H82 (= H81), H102 (= H101), L103 (= L102), T104 (≠ S103), R113 (= R112)
4b6sA Structure of helicobacter pylori type ii dehydroquinase inhibited by (2s)-2-perfluorobenzyl-3-dehydroquinic acid (see paper)
47% identity, 97% coverage: 5:149/149 of query aligns to 3:150/158 of 4b6sA
- active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N76 (= N75), A79 (= A78), E100 (= E99), H102 (= H101), R109 (= 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), Y22 (= Y24), N76 (= N75), G78 (= G77), A79 (= A78), H82 (= H81), H102 (= H101), L103 (= L102), T104 (≠ S103), R113 (= R112)
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)
47% identity, 97% coverage: 5:149/149 of query aligns to 3:150/150 of 2xdaA
- active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N76 (= N75), A79 (= A78), E100 (= E99), H102 (= H101), R109 (= R108)
- binding (4r,6r,7s)-2-(2-cyclopropylethyl)-4,6,7-trihydroxy-4,5,6,7-tetrahydro-1-benzothiophene-4-carboxylic acid: N10 (= N12), L11 (= L13), M13 (≠ L15), Y22 (= Y24), N76 (= N75), A79 (= A78), H82 (= H81), H102 (= H101), L103 (= L102), T104 (≠ S103), R113 (= R112)
2xb9A Structure of helicobacter pylori type ii dehydroquinase in complex with inhibitor compound (2r)-2-(4-methoxybenzyl)-3-dehydroquinic acid (see paper)
47% identity, 97% coverage: 5:149/149 of query aligns to 3:150/158 of 2xb9A
- active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N76 (= N75), A79 (= A78), E100 (= E99), H102 (= H101), R109 (= R108)
- binding (1r,2r,4s,5r)-1,4,5-trihydroxy-2-(4-methoxybenzyl)-3-oxocyclohexanecarboxylic acid: N10 (= N12), Y22 (= Y24), N76 (= N75), A79 (= A78), H82 (= H81), H102 (= H101), L103 (= L102), T104 (≠ S103), R113 (= R112)
1j2yA Crystal structure of the type ii 3-dehydroquinase (see paper)
47% identity, 97% coverage: 5:149/149 of query aligns to 3:150/158 of 1j2yA
- active site: P9 (= P11), N10 (= N12), R17 (= R19), Y22 (= Y24), N76 (= N75), A79 (= A78), E100 (= E99), H102 (= H101), R109 (= R108)
- binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: Y22 (= Y24), N76 (= N75), G78 (= G77), H82 (= H81), H102 (= H101), L103 (= L102), T104 (≠ S103), R113 (= R112)
2c4wA Type ii dehydroquinase from h. Pylori in complex with ah9095 (see paper)
47% identity, 97% coverage: 5:149/149 of query aligns to 12:159/168 of 2c4wA
- active site: P18 (= P11), N19 (= N12), R26 (= R19), Y31 (= Y24), N85 (= N75), A88 (= A78), E109 (= E99), H111 (= H101), R118 (= R108)
- binding n-tetrazol-5-yl 9-oxo-9h-xanthene-2 sulphonamide: L20 (= L13), L23 (= L16), D27 (≠ E20), G87 (= G77), H91 (= H81), H111 (= H101), L112 (= L102), T113 (≠ S103), I115 (= I105), R122 (= R112)
4cl0A Structure of the mycobacterium tuberculosis type ii dehydroquinase inhibited by a 3-dehydroquinic acid derivative
47% identity, 89% coverage: 5:137/149 of query aligns to 3:135/140 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 (= G77), G76 (≠ A78), H79 (= H81), H99 (= H101), I100 (≠ L102), S101 (= S103), R110 (= R112)
Query Sequence
>WP_020176525.1 NCBI__GCF_000385335.1:WP_020176525.1
MTKTIHVLNGPNLNLLGSREPETYGTQTLADIEAKLAAICKTHGVALQFRQSNHEGELVT
WIQEAGKAGDPIIINAGAYSHTSIALIDAIKGTNAKVIEVHLSNIHARESYRHHSFISGA
ARGIIMGLGALGYELALTAIFADMAKSES
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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