SitesBLAST
Comparing 15812 FitnessBrowser__Keio:15812 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)
P05194 3-dehydroquinate dehydratase; 3-dehydroquinase; Type I DHQase; Type I dehydroquinase; DHQ1; EC 4.2.1.10 from Escherichia coli (strain K12) (see 3 papers)
100% identity, 100% coverage: 1:252/252 of query aligns to 1:252/252 of P05194
- H143 (= H143) active site, Proton donor/acceptor; mutation to A: Loss of dehydratase activity.
- H146 (= H146) mutation to A: It retains full catalytic activity.
- K170 (= K170) active site, Schiff-base intermediate with substrate; mutation to A: Loss of dehydratase activity, but it is still able to bind substrate.
- M205 (= M205) mutation to L: It has little effect on the catalytic efficiency and affinity for 3-dehydroquinate.
P58687 3-dehydroquinate dehydratase; 3-dehydroquinase; DHQD; Type I DHQase; Type I dehydroquinase; DHQ1; EC 4.2.1.10 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) (see 4 papers)
80% identity, 100% coverage: 1:252/252 of query aligns to 1:252/252 of P58687
- S21 (= S21) binding
- EWR 46:48 (= EWR 46:48) binding
- R82 (= R82) binding
- E86 (= E86) mutation to A: Very strong reduction of the catalytic efficiency and almost the same affinity for 3-dehydroquinate.; mutation to Q: Strong reduction of the catalytic efficiency and slight increase of the affinity for 3-dehydroquinate.
- H143 (= H143) active site, Proton donor/acceptor
- K170 (= K170) active site, Schiff-base intermediate with substrate; mutation to M: Abolishes enzyme activity and 1.5-fold reduction of the affinity for 3-dehydroquinate.
- R213 (= R213) binding
- S232 (= S232) binding ; mutation to A: Reduces enzyme activity 50-fold.
- Q236 (= Q236) binding ; mutation to A: Nearly abolishes enzyme activity.
4gujA 1.50 angstrom crystal structure of the salmonella enterica 3- dehydroquinate dehydratase (arod) in complex with shikimate (see paper)
80% identity, 100% coverage: 2:252/252 of query aligns to 1:251/251 of 4gujA
- active site: E85 (= E86), H142 (= H143), K169 (= K170)
- binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: E45 (= E46), R47 (= R48), R81 (= R82), H142 (= H143), R212 (= R213), F224 (= F225), S231 (= S232), A232 (= A233), Q235 (= Q236)
4guiA 1.78 angstrom crystal structure of the salmonella enterica 3- dehydroquinate dehydratase (arod) in complex with quinate (see paper)
80% identity, 100% coverage: 2:252/252 of query aligns to 1:251/251 of 4guiA
- active site: E85 (= E86), H142 (= H143), K169 (= K170)
- binding (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid: E45 (= E46), R47 (= R48), R81 (= R82), H142 (= H143), K169 (= K170), M204 (= M205), R212 (= R213), F224 (= F225), A232 (= A233), Q235 (= Q236)
3m7wA Crystal structure of type i 3-dehydroquinate dehydratase (arod) from salmonella typhimurium lt2 in covalent complex with dehydroquinate (see paper)
80% identity, 100% coverage: 2:252/252 of query aligns to 1:251/251 of 3m7wA
- active site: E85 (= E86), H142 (= H143), K169 (= K170)
- binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: E45 (= E46), R47 (= R48), H142 (= H143), K169 (= K170), M202 (= M203), M204 (= M205), R212 (= R213), F224 (= F225), A232 (= A233), Q235 (= Q236)
4guhB 1.95 angstrom crystal structure of the salmonella enterica 3- dehydroquinate dehydratase (arod) e86a mutant in complex with dehydroshikimate (crystal form #2) (see paper)
80% identity, 100% coverage: 1:252/252 of query aligns to 14:265/265 of 4guhB
- active site: A99 (≠ E86), H156 (= H143), K183 (= K170)
- binding (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid: E59 (= E46), R61 (= R48), R95 (= R82), K183 (= K170), M216 (= M203), R226 (= R213), F238 (= F225), A246 (= A233), Q249 (= Q236)
1l9wA Crystal structure of 3-dehydroquinase from salmonella typhi complexed with reaction product (see paper)
77% identity, 100% coverage: 1:252/252 of query aligns to 1:252/252 of 1l9wA
- active site: E86 (= E86), H143 (= H143), K170 (= K170)
- binding 3-amino-4,5-dihydroxy-cyclohex-1-enecarboxylate: E46 (= E46), R48 (= R48), R82 (= R82), H143 (= H143), K170 (= K170), R213 (= R213), F225 (= F225), S232 (= S232), A233 (= A233), Q236 (= Q236)
8b2cAAA 3-dehydroquinate dehydratase (see paper)
77% identity, 100% coverage: 1:252/252 of query aligns to 1:252/252 of 8b2cAAA
- binding (1~{S},2~{R},4~{R},5~{S},6~{S})-2,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptane-2-carboxylic acid: E46 (= E46), R48 (= R48), H143 (= H143), K170 (= K170), M205 (= M205), R213 (= R213), F225 (= F225), A233 (= A233), Q236 (= Q236)
8b2bAAA 3-dehydroquinate dehydratase (see paper)
77% identity, 100% coverage: 1:252/252 of query aligns to 1:252/252 of 8b2bAAA
- binding (4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid: E46 (= E46), R48 (= R48), H143 (= H143), K170 (= K170), R213 (= R213), F225 (= F225), S232 (= S232), A233 (= A233), Q236 (= Q236)
6sfeA Crystal structure of dhq1 from salmonella typhi covalently modified by compound 7 (see paper)
77% identity, 100% coverage: 1:252/252 of query aligns to 1:252/252 of 6sfeA
- active site: E86 (= E86), H143 (= H143), K170 (= K170)
- binding (1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid: E46 (= E46), R48 (= R48), R82 (= R82), H143 (= H143), K170 (= K170), R213 (= R213), F225 (= F225), S232 (= S232), A233 (= A233), Q236 (= Q236)
6h5jA Crystal structure of dhq1 from salmonella typhi covalently modified by ligand 4
77% identity, 100% coverage: 1:252/252 of query aligns to 1:252/252 of 6h5jA
- active site: E86 (= E86), H143 (= H143), K170 (= K170)
- binding (3~{R})-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid: E46 (= E46), R48 (= R48), R82 (= R82), H143 (= H143), K170 (= K170), R213 (= R213), F225 (= F225), S232 (= S232), A233 (= A233), Q236 (= Q236)
6h5gA Crystal structure of dhq1 from salmonella typhi covalently modified by ligand 3
77% identity, 100% coverage: 1:252/252 of query aligns to 1:252/252 of 6h5gA
- active site: E86 (= E86), H143 (= H143), K170 (= K170)
- binding (1~{R},3~{S},4~{R},5~{R})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid: E46 (= E46), R48 (= R48), R82 (= R82), K170 (= K170), M203 (= M203), R213 (= R213), F225 (= F225), S232 (= S232), A233 (= A233), Q236 (= Q236)
6h5cA Crystal structure of dhq1 from salmonella typhi covalently modified by ligand 1
77% identity, 100% coverage: 1:252/252 of query aligns to 1:252/252 of 6h5cA
- active site: E86 (= E86), H143 (= H143), K170 (= K170)
- binding (1~{S},3~{R},4~{S},5~{R})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic Acid: E46 (= E46), R48 (= R48), R82 (= R82), H143 (= H143), K170 (= K170), R213 (= R213), F225 (= F225), S232 (= S232), A233 (= A233), Q236 (= Q236)
4cnpA Structure of the salmonella typhi type i dehydroquinase inhibited by a 3-epiquinic acid derivative
77% identity, 100% coverage: 1:252/252 of query aligns to 1:252/252 of 4cnpA
- active site: E86 (= E86), H143 (= H143), K170 (= K170)
- binding (2s)-2-hydroxy-3-epiquinic acid: E46 (= E46), R48 (= R48), R82 (= R82), K170 (= K170), M203 (= M203), R213 (= R213), F225 (= F225), S232 (= S232), A233 (= A233), Q236 (= Q236)
P24670 3-dehydroquinate dehydratase; 3-dehydroquinase; Type I DHQase; Type I dehydroquinase; DHQ1; EC 4.2.1.10 from Salmonella typhi (see 3 papers)
77% identity, 100% coverage: 1:252/252 of query aligns to 1:252/252 of P24670
- S21 (= S21) binding
- EWR 46:48 (= EWR 46:48) binding
- R82 (= R82) binding
- K170 (= K170) active site, Schiff-base intermediate with substrate
- R213 (= R213) binding
- S232 (= S232) binding
- Q236 (= Q236) binding
4clmB Structure of salmonella typhi type i dehydroquinase irreversibly inhibited with a 1,3,4-trihydroxyciclohexane-1-carboxylic acid derivative (see paper)
77% identity, 100% coverage: 2:252/252 of query aligns to 1:251/251 of 4clmB
- active site: E85 (= E86), H142 (= H143), K169 (= K170)
- binding (1~{S},3~{S},4~{R},5~{R})-3-methyl-1,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid: E45 (= E46), R47 (= R48), R81 (= R82), K169 (= K170), M204 (= M205), R212 (= R213), F224 (= F225), S231 (= S232), A232 (= A233), Q235 (= Q236)
4uioA Structure of the salmonella typhi type i dehydroquinase covalently inhibited by a 3-dehydroquinic acid derivative (see paper)
77% identity, 99% coverage: 3:252/252 of query aligns to 1:250/250 of 4uioA
- active site: E84 (= E86), H141 (= H143), K168 (= K170)
- binding (1~{R},3~{R},4~{S},5~{R})-3-methyl-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid: E44 (= E46), R46 (= R48), R80 (= R82), H141 (= H143), K168 (= K170), M203 (= M205), R211 (= R213), F223 (= F225), A231 (= A233), Q234 (= Q236)
4cnoA Structure of the salmonella typhi type i dehydroquinase inhibited by a 3-dehydroquinic acid derivative (see paper)
76% identity, 100% coverage: 2:252/252 of query aligns to 1:247/247 of 4cnoA
Q186A6 3-dehydroquinate dehydratase; 3-dehydroquinase; Type I DHQase; Type I dehydroquinase; DHQ1; EC 4.2.1.10 from Clostridioides difficile (strain 630) (Peptoclostridium difficile) (see paper)
53% identity, 100% coverage: 2:252/252 of query aligns to 3:253/255 of Q186A6
- EWR 47:49 (= EWR 46:48) binding
- R83 (= R82) binding
- H144 (= H143) active site, Proton donor/acceptor
- K171 (= K170) active site, Schiff-base intermediate with substrate
- R214 (= R213) binding
- S233 (= S232) binding
- Q237 (= Q236) binding
4h3dB 1.95 angstrom crystal structure of of type i 3-dehydroquinate dehydratase (arod) from clostridium difficile with covalent modified comenic acid.
53% identity, 100% coverage: 2:252/252 of query aligns to 3:253/254 of 4h3dB
Query Sequence
>15812 FitnessBrowser__Keio:15812
MKTVTVKDLVIGTGAPKIIVSLMAKDIASVKSEALAYREADFDILEWRVDHYADLSNVES
VMAAAKILRETMPEKPLLFTFRSAKEGGEQAISTEAYIALNRAAIDSGLVDMIDLELFTG
DDQVKETVAYAHAHDVKVVMSNHDFHKTPEAEEIIARLRKMQSFDADIPKIALMPQSTSD
VLTLLAATLEMQEQYADRPIITMSMAKTGVISRLAGEVFGSAATFGAVKKASAPGQISVN
DLRTVLTILHQA
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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