SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_034997810.1 NCBI__GCF_000745425.1:WP_034997810.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

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)
47% identity, 96% coverage: 7:256/261 of query aligns to 4:252/252 of P05194

query
sites
P05194

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A

H143 (= H147) active site, Proton donor/acceptor; mutation to A: Loss of dehydratase activity.
H146 (≠ A150) mutation to A: It retains full catalytic activity.
K170 (= K174) active site, Schiff-base intermediate with substrate; mutation to A: Loss of dehydratase activity, but it is still able to bind substrate.
M205 (= M209) mutation to L: It has little effect on the catalytic efficiency and affinity for 3-dehydroquinate.

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)
42% identity, 96% coverage: 7:257/261 of query aligns to 5:254/255 of Q186A6

query
sites
Q186A6

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EWR 47:49 (≠ ELR 50:52) binding
R83 (= R86) binding
H144 (= H147) active site, Proton donor/acceptor
K171 (= K174) active site, Schiff-base intermediate with substrate
R214 (= R217) binding
S233 (= S236) binding
Q237 (= Q240) binding

4h3dB 1.95 angstrom crystal structure of of type i 3-dehydroquinate dehydratase (arod) from clostridium difficile with covalent modified comenic acid.
42% identity, 96% coverage: 7:257/261 of query aligns to 5:254/254 of 4h3dB

query
sites
4h3dB

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active site: E87 (= E90), H144 (= H147), K171 (= K174)
binding 5-hydroxy-6-methyl-4-oxo-4H-pyran-2-carboxylic acid: H144 (= H147), K171 (= K174), M204 (= M207), R214 (= R217), F226 (= F229)

3js3A Crystal structure of type i 3-dehydroquinate dehydratase (arod) from clostridium difficile with covalent reaction intermediate (see paper)
42% identity, 96% coverage: 7:256/261 of query aligns to 5:253/253 of 3js3A

query
sites
3js3A

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active site: E87 (= E90), H144 (= H147), K171 (= K174)
binding 3-amino-4,5-dihydroxy-cyclohex-1-enecarboxylate: E47 (= E50), R49 (= R52), K171 (= K174), M204 (= M207), R214 (= R217), F226 (= F229), S233 (= S236), A234 (= A237)

4gujA 1.50 angstrom crystal structure of the salmonella enterica 3- dehydroquinate dehydratase (arod) in complex with shikimate (see paper)
44% identity, 96% coverage: 7:256/261 of query aligns to 3:251/251 of 4gujA

query
sites
4gujA

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V

V

I

I

S

S

R
|
R

L

L

S

A

G

G

E

E

L

V

F

F

G

G

S

S

C

A

A

A

T

T

F
|
F

G

G

M

A

V

V

G

K

E

K

A

A

S
|
S

A
|
A

P

P

G

G

Q
|
Q

V

I

P

S

L

V

P

A

R

D

L

L

H

R

S

T

I

V

L

L

T

T

L

I

I

L

H

H

E

Q

A

A

active site: E85 (= E90), H142 (= H147), K169 (= K174)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: E45 (= E50), R47 (= R52), R81 (= R86), H142 (= H147), R212 (= R217), F224 (= F229), S231 (= S236), A232 (= A237), Q235 (= Q240)

4guiA 1.78 angstrom crystal structure of the salmonella enterica 3- dehydroquinate dehydratase (arod) in complex with quinate (see paper)
44% identity, 96% coverage: 7:256/261 of query aligns to 3:251/251 of 4guiA

query
sites
4guiA

V

V

T

T

I

V

K

R

G

D

V

L

S

V

I

V

G

G

T

E

G

G

Q

A

P

P

K

K

I

I

V

V

P

S

I

L

T

M

A

G

K

K

T

T

H

I

A

T

E

D

V

V

L

K

A

S

G

E

L

A

A

L

G

A

L

Y

A

R

E

E

E

A

D

D

T

-

I

F

D

D

L

I

I

L

E
|
E

L

W

R
|
R

V

V

D

D

H

H

L

F

D

A

I

N

A

V

L

T

D

T

F

A

G

E

A

S

V

V

A

L

A

E

L

A

T

A

R

G

E

A

A

I

A

R

E

E

I

I

V

I

P

T

S

D

K

K

P

P

L

L

V

F

T

T

F

F

R
|
R

T

S

K

A

A

K

E
|
E

G

G

M

E

T

Q

A

A

I

L

D

T

E

G

A

Q

Y

Y

G

I

R

D

F

L

Y

N

A

R

T

A

V

A

L

V

Q

D

E

S

G

G

K

L

A

V

D

D

L

M

I

I

D

D

V

L

E

E

L

L

V

F

R

T

D

G

E

D

T

D

I

E

I

V

R

K

Q

A

I

T

I

V

T

G

A

Y

A

A

H

H

R

Q

T

H

G

N

A

V

Y

A

V

V

V

I

L

M

S

S

N

N

H
|
H

D

D

F

F

A

H

G

K

T

T

A

P

P

A

V

A

D

E

E

E

L

I

I

V

T

Q

R

R

L

L

Q

R

R

K

M

M

Q

Q

D

E

L

L

G

G

A

A

D

D

I

I

I

P

K
|
K

I

I

A

A

T

V

M

M

P

P

K

Q

D

T

A

K

G

A

D

D

L

V

L

L

R

T

L

L

Q

T

A

A

T

T

W

V

E

E

M

M

Y

Q

S

E

R

R

Y

Y

A

A

T

D

C

R

P

P

M

I

I

I

T

T

M

M

A

S

M
|
M

A

S

G

K

T

T

G

G

V

V

I

I

S

S

R
|
R

L

L

S

A

G

G

E

E

L

V

F

F

G

G

S

S

C

A

A

A

T

T

F
|
F

G

G

M

A

V

V

G

K

E

K

A

A

S

S

A
|
A

P

P

G

G

Q
|
Q

V

I

P

S

L

V

P

A

R

D

L

L

H

R

S

T

I

V

L

L

T

T

L

I

I

L

H

H

E

Q

A

A

active site: E85 (= E90), H142 (= H147), K169 (= K174)
binding (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid: E45 (= E50), R47 (= R52), R81 (= R86), H142 (= H147), K169 (= K174), M204 (= M209), R212 (= R217), F224 (= F229), A232 (= A237), Q235 (= Q240)

3m7wA Crystal structure of type i 3-dehydroquinate dehydratase (arod) from salmonella typhimurium lt2 in covalent complex with dehydroquinate (see paper)
44% identity, 96% coverage: 7:256/261 of query aligns to 3:251/251 of 3m7wA

query
sites
3m7wA

V

V

T

T

I

V

K

R

G

D

V

L

S

V

I

V

G

G

T

E

G

G

Q

A

P

P

K

K

I

I

V

V

P

S

I

L

T

M

A

G

K

K

T

T

H

I

A

T

E

D

V

V

L

K

A

S

G

E

L

A

A

L

G

A

L

Y

A

R

E

E

E

A

D

D

T

-

I

F

D

D

L

I

I

L

E
|
E

L

W

R
|
R

V

V

D

D

H

H

L

F

D

A

I

N

A

V

L

T

D

T

F

A

G

E

A

S

V

V

A

L

A

E

L

A

T

A

R

G

E

A

A

I

A

R

E

E

I

I

V

I

P

T

S

D

K

K

P

P

L

L

V

F

T

T

F

F

R

R

T

S

K

A

A

K

E
|
E

G

G

M

E

T

Q

A

A

I

L

D

T

E

G

A

Q

Y

Y

G

I

R

D

F

L

Y

N

A

R

T

A

V

A

L

V

Q

D

E

S

G

G

K

L

A

V

D

D

L

M

I

I

D

D

V

L

E

E

L

L

V

F

R

T

D

G

E

D

T

D

I

E

I

V

R

K

Q

A

I

T

I

V

T

G

A

Y

A

A

H

H

R

Q

T

H

G

N

A

V

Y

A

V

V

V

I

L

M

S

S

N

N

H
|
H

D

D

F

F

A

H

G

K

T

T

A

P

P

A

V

A

D

E

E

E

L

I

I

V

T

Q

R

R

L

L

Q

R

R

K

M

M

Q

Q

D

E

L

L

G

G

A

A

D

D

I

I

I

P

K
|
K

I

I

A

A

T

V

M

M

P

P

K

Q

D

T

A

K

G

A

D

D

L

V

L

L

R

T

L

L

Q

T

A

A

T

T

W

V

E

E

M

M

Y

Q

S

E

R

R

Y

Y

A

A

T

D

C

R

P

P

M

I

I

I

T

T

M
|
M

A

S

M
|
M

A

S

G

K

T

T

G

G

V

V

I

I

S

S

R
|
R

L

L

S

A

G

G

E

E

L

V

F

F

G

G

S

S

C

A

A

A

T

T

F
|
F

G

G

M

A

V

V

G

K

E

K

A

A

S

S

A
|
A

P

P

G

G

Q
|
Q

V

I

P

S

L

V

P

A

R

D

L

L

H

R

S

T

I

V

L

L

T

T

L

I

I

L

H

H

E

Q

A

A

active site: E85 (= E90), H142 (= H147), K169 (= K174)
binding 1,3,4-trihydroxy-5-oxo-cyclohexanecarboxylic acid: E45 (= E50), R47 (= R52), H142 (= H147), K169 (= K174), M202 (= M207), M204 (= M209), R212 (= R217), F224 (= F229), A232 (= A237), Q235 (= Q240)

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)
44% identity, 96% coverage: 7:256/261 of query aligns to 4:252/252 of P58687

query
sites
P58687

V

V

T

T

I

V

K

R

G

D

V

L

S

V

I

V

G

G

T

E

G

G

Q

A

P

P

K

K

I

I

V

V

P
x
S

I

L

T

M

A

G

K

K

T

T

H

I

A

T

E

D

V

V

L

K

A

S

G

E

L

A

A

L

G

A

L

Y

A

R

E

E

E

A

D

D

T

-

I

F

D

D

L

I

I

L

E
|
E

L
x
W

R
|
R

V

V

D

D

H

H

L

F

D

A

I

N

A

V

L

T

D

T

F

A

G

E

A

S

V

V

A

L

A

E

L

A

T

A

R

G

E

A

A

I

A

R

E

E

I

I

V

I

P

T

S

D

K

K

P

P

L

L

V

F

T

T

F

F

R
|
R

T

S

K

A

A

K

E
|
E

G

G

M

E

T

Q

A

A

I

L

D

T

E

G

A

Q

Y

Y

G

I

R

D

F

L

Y

N

A

R

T

A

V

A

L

V

Q

D

E

S

G

G

K

L

A

V

D

D

L

M

I

I

D

D

V

L

E

E

L

L

V

F

R

T

D

G

E

D

T

D

I

E

I

V

R

K

Q

A

I

T

I

V

T

G

A

Y

A

A

H

H

R

Q

T

H

G

N

A

V

Y

A

V

V

V

I

L

M

S

S

N

N

H
|
H

D

D

F

F

A

H

G

K

T

T

A

P

P

A

V

A

D

E

E

E

L

I

I

V

T

Q

R

R

L

L

Q

R

R

K

M

M

Q

Q

D

E

L

L

G

G

A

A

D

D

I

I

I

P

K
|
K

I

I

A

A

T

V

M

M

P

P

K

Q

D

T

A

K

G

A

D

D

L

V

L

L

R

T

L

L

Q

T

A

A

T

T

W

V

E

E

M

M

Y

Q

S

E

R

R

Y

Y

A

A

T

D

C

R

P

P

M

I

I

I

T

T

M

M

A

S

M

M

A

S

G

K

T

T

G

G

V

V

I

I

S

S

R
|
R

L

L

S

A

G

G

E

E

L

V

F

F

G

G

S

S

C

A

A

A

T

T

F

F

G

G

M

A

V

V

G

K

E

K

A

A

S
|
S

A

A

P

P

G

G

Q
|
Q

V

I

P

S

L

V

P

A

R

D

L

L

H

R

S

T

I

V

L

L

T

T

L

I

I

L

H

H

E

Q

A

A

S21 (≠ P24) binding
EWR 46:48 (≠ ELR 50:52) binding
R82 (= R86) binding
E86 (= E90) 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 (= H147) active site, Proton donor/acceptor
K170 (= K174) 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 (= R217) binding
S232 (= S236) binding ; mutation to A: Reduces enzyme activity 50-fold.
Q236 (= Q240) binding ; mutation to A: Nearly abolishes enzyme activity.

1l9wA Crystal structure of 3-dehydroquinase from salmonella typhi complexed with reaction product (see paper)
45% identity, 96% coverage: 7:256/261 of query aligns to 4:252/252 of 1l9wA

query
sites
1l9wA

V

V

T

T

I

V

K

K

G

N

V

L

S

I

I

I

G

G

T

E

G

G

Q

M

P

P

K

K

I

I

V

V

P

S

I

L

T

M

A

G

K

R

-

D

-

I

-

N

-

S

T

V

H

K

A

A

E

E

V

A

L

L

A

A

G

-

L

-

A

-

G

-

L

-

A

Y

E

R

E

E

D

A

T

T

I

F

D

D

L

I

I

L

E
|
E

L

W

R
|
R

V

V

D

D

H

H

-

F

L

M

D

D

I

I

A

A

L

-

D

S

F

T

G

Q

A

S

V

V

A

L

A

T

L

A

T

A

R

R

E

V

A

I

A

R

E

D

I

A

V

M

P

P

S

D

K

I

P

P

L

L

V

F

T

T

F

F

R
|
R

T

S

K

A

A

K

E
|
E

G

G

M

E

T

Q

A

T

I

I

D

T

E

Q

A

H

Y

Y

G

L

R

T

F

L

Y

N

A

R

T

A

V

A

L

I

Q

D

E

S

G

G

K

L

A

V

D

D

L

M

I

I

D

D

V

L

E

E

L

L

V

F

R

T

D

G

E

D

T

A

I

D

I

V

R

K

Q

A

I

T

I

V

T

D

A

Y

A

A

H

H

R

A

T

H

G

N

A

V

Y

Y

V

V

L

M

S

S

N

N

H
|
H

D

D

F

F

A

H

G

Q

T

T

A

P

P

S

V

A

D

E

E

E

L

M

I

V

T

S

R

R

L

L

Q

R

R

K

M

M

Q

Q

D

A

L

L

G

G

A

A

D

D

I

I

I

P

K
|
K

I

I

A

A

T

V

M

M

P

P

K

Q

D

S

A

K

G

H

D

D

L

V

L

L

R

T

L

L

Q

T

A

A

T

T

W

L

E

E

M

M

Y

Q

S

Q

R

H

Y

Y

A

A

T

D

C

R

P

P

M

V

I

I

T

T

M

M

A

S

M

M

A

A

G

K

T

E

G

G

V

V

I

I

S

S

R
|
R

L

L

S

A

G

G

E

E

L

V

F

F

G

G

S

S

C

A

A

A

T

T

F
|
F

G

G

M

A

V

V

G

K

E

Q

A

A

S
|
S

A
|
A

P

P

G

G

Q
|
Q

V

I

P

A

L

V

P

N

R

D

L

L

H

R

S

S

I

V

L

L

T

M

L

I

I

L

H

H

E

N

A

A

active site: E86 (= E90), H143 (= H147), K170 (= K174)
binding 3-amino-4,5-dihydroxy-cyclohex-1-enecarboxylate: E46 (= E50), R48 (= R52), R82 (= R86), H143 (= H147), K170 (= K174), R213 (= R217), F225 (= F229), S232 (= S236), A233 (= A237), Q236 (= Q240)

4uioA Structure of the salmonella typhi type i dehydroquinase covalently inhibited by a 3-dehydroquinic acid derivative (see paper)
45% identity, 96% coverage: 7:256/261 of query aligns to 2:250/250 of 4uioA

query
sites
4uioA

V

V

T

T

I

V

K

K

G

N

V

L

S

I

I

I

G

G

T

E

G

G

Q

M

P

P

K

K

I

I

V

V

P

S

I

L

T

M

A

G

K

R

-

D

-

I

-

N

-

S

T

V

H

K

A

A

E

E

V

A

L

L

A

A

G

-

L

-

A

-

G

-

L

-

A

Y

E

R

E

E

D

A

T

T

I

F

D

D

L

I

I

L

E
|
E

L

W

R
|
R

V

V

D

D

H

H

-

F

L

M

D

D

I

I

A

A

L

-

D

S

F

T

G

Q

A

S

V

V

A

L

A

T

L

A

T

A

R

R

E

V

A

I

A

R

E

D

I

A

V

M

P

P

S

D

K

I

P

P

L

L

V

F

T

T

F

F

R
|
R

T

S

K

A

A

K

E
|
E

G

G

M

E

T

Q

A

T

I

I

D

T

E

Q

A

H

Y

Y

G

L

R

T

F

L

Y

N

A

R

T

A

V

A

L

I

Q

D

E

S

G

G

K

L

A

V

D

D

L

M

I

I

D

D

V

L

E

E

L

L

V

F

R

T

D

G

E

D

T

A

I

D

I

V

R

K

Q

A

I

T

I

V

T

D

A

Y

A

A

H

H

R

A

T

H

G

N

A

V

Y

Y

V

V

L

M

S

S

N

N

H
|
H

D

D

F

F

A

H

G

Q

T

T

A

P

P

S

V

A

D

E

E

E

L

M

I

V

T

L

R

R

L

L

Q

R

R

K

M

M

Q

Q

D

A

L

L

G

G

A

A

D

D

I

I

I

P

K
|
K

I

I

A

A

T

V

M

M

P

P

K

Q

D

S

A

K

G

H

D

D

L

V

L

L

R

T

L

L

Q

T

A

A

T

T

W

L

E

E

M

M

Y

Q

S

Q

R

H

Y

Y

A

A

T

D

C

R

P

P

M

V

I

I

T

T

M

M

A

S

M
|
M

A

A

G

K

T

E

G

G

V

V

I

I

S

S

R
|
R

L

L

S

A

G

G

E

E

L

V

F

F

G

G

S

S

C

A

A

A

T

T

F
|
F

G

G

M

A

V

V

G

K

E

Q

A

A

S

S

A
|
A

P

P

G

G

Q
|
Q

V

I

P

A

L

V

P

N

R

D

L

L

H

R

S

S

I

V

L

L

T

M

L

I

I

L

H

H

E

N

A

A

active site: E84 (= E90), H141 (= H147), K168 (= K174)
binding (1~{R},3~{R},4~{S},5~{R})-3-methyl-1,3,4,5-tetrakis(oxidanyl)cyclohexane-1-carboxylic acid: E44 (= E50), R46 (= R52), R80 (= R86), H141 (= H147), K168 (= K174), M203 (= M209), R211 (= R217), F223 (= F229), A231 (= A237), Q234 (= Q240)

4clmB Structure of salmonella typhi type i dehydroquinase irreversibly inhibited with a 1,3,4-trihydroxyciclohexane-1-carboxylic acid derivative (see paper)
45% identity, 96% coverage: 7:256/261 of query aligns to 3:251/251 of 4clmB

query
sites
4clmB

V

V

T

T

I

V

K

K

G

N

V

L

S

I

I

I

G

G

T

E

G

G

Q

M

P

P

K

K

I

I

V

V

P

S

I

L

T

M

A

G

K

R

-

D

-

I

-

N

-

S

T

V

H

K

A

A

E

E

V

A

L

L

A

A

G

-

L

-

A

-

G

-

L

-

A

Y

E

R

E

E

D

A

T

T

I

F

D

D

L

I

I

L

E
|
E

L

W

R
|
R

V

V

D

D

H

H

-

F

L

M

D

D

I

I

A

A

L

-

D

S

F

T

G

Q

A

S

V

V

A

L

A

T

L

A

T

A

R

R

E

V

A

I

A

R

E

D

I

A

V

M

P

P

S

D

K

I

P

P

L

L

V

F

T

T

F

F

R
|
R

T

S

K

A

A

K

E
|
E

G

G

M

E

T

Q

A

T

I

I

D

T

E

Q

A

H

Y

Y

G

L

R

T

F

L

Y

N

A

R

T

A

V

A

L

I

Q

D

E

S

G

G

K

L

A

V

D

D

L

M

I

I

D

D

V

L

E

E

L

L

V

F

R

T

D

G

E

D

T

A

I

D

I

V

R

K

Q

A

I

T

I

V

T

D

A

Y

A

A

H

H

R

A

T

H

G

N

A

V

Y

Y

V

V

L

M

S

S

N

N

H
|
H

D

D

F

F

A

H

G

Q

T

T

A

P

P

S

V

A

D

E

E

E

L

M

I

V

T

L

R

R

L

L

Q

R

R

K

M

M

Q

Q

D

A

L

L

G

G

A

A

D

D

I

I

I

P

K
|
K

I

I

A

A

T

V

M

M

P

P

K

Q

D

S

A

K

G

H

D

D

L

V

L

L

R

T

L

L

Q

T

A

A

T

T

W

L

E

E

M

M

Y

Q

S

Q

R

H

Y

Y

A

A

T

D

C

R

P

P

M

V

I

I

T

T

M

M

A

S

M
|
M

A

A

G

K

T

E

G

G

V

V

I

I

S

S

R
|
R

L

L

S

A

G

G

E

E

L

V

F

F

G

G

S

S

C

A

A

A

T

T

F
|
F

G

G

M

A

V

V

G

K

E

Q

A

A

S
|
S

A
|
A

P

P

G

G

Q
|
Q

V

I

P

A

L

V

P

N

R

D

L

L

H

R

S

S

I

V

L

L

T

M

L

I

I

L

H

H

E

N

A

A

active site: E85 (= E90), H142 (= H147), K169 (= K174)
binding (1~{S},3~{S},4~{R},5~{R})-3-methyl-1,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid: E45 (= E50), R47 (= R52), R81 (= R86), K169 (= K174), M204 (= M209), R212 (= R217), F224 (= F229), S231 (= S236), A232 (= A237), Q235 (= Q240)

8b2cAAA 3-dehydroquinate dehydratase (see paper)
45% identity, 96% coverage: 7:256/261 of query aligns to 4:252/252 of 8b2cAAA

query
sites
8b2cAAA

V

V

T

T

I

V

K

K

G

N

V

L

S

I

I

I

G

G

T

E

G

G

Q

M

P

P

K

K

I

I

V

V

P

S

I

L

T

M

A

G

K

R

-

D

-

I

-

N

-

S

T

V

H

K

A

A

E

E

V

A

L

L

A

A

G

-

L

-

A

-

G

-

L

-

A

Y

E

R

E

E

D

A

T

T

I

F

D

D

L

I

I

L

E
|
E

L

W

R
|
R

V

V

D

D

H

H

-

F

L

M

D

D

I

I

A

A

L

-

D

S

F

T

G

Q

A

S

V

V

A

L

A

T

L

A

T

A

R

R

E

V

A

I

A

R

E

D

I

A

V

M

P

P

S

D

K

I

P

P

L

L

V

F

T

T

F

F

R

R

T

S

K

A

A

K

E

E

G

G

M

E

T

Q

A

T

I

I

D

T

E

Q

A

H

Y

Y

G

L

R

T

F

L

Y

N

A

R

T

A

V

A

L

I

Q

D

E

S

G

G

K

L

A

V

D

D

L

M

I

I

D

D

V

L

E

E

L

L

V

F

R

T

D

G

E

D

T

A

I

D

I

V

R

K

Q

A

I

T

I

V

T

D

A

Y

A

A

H

H

R

A

T

H

G

N

A

V

Y

Y

V

V

L

M

S

S

N

N

H
|
H

D

D

F

F

A

H

G

Q

T

T

A

P

P

S

V

A

D

E

E

E

L

M

I

V

T

L

R

R

L

L

Q

R

R

K

M

M

Q

Q

D

A

L

L

G

G

A

A

D

D

I

I

I

P

K
|
K

I

I

A

A

T

V

M

M

P

P

K

Q

D

S

A

K

G

H

D

D

L

V

L

L

R

T

L

L

Q

T

A

A

T

T

W

L

E

E

M

M

Y

Q

S

Q

R

H

Y

Y

A

A

T

D

C

R

P

P

M

V

I

I

T

T

M

M

A

S

M
|
M

A

A

G

K

T

E

G

G

V

V

I

I

S

S

R
|
R

L

L

S

A

G

G

E

E

L

V

F

F

G

G

S

S

C

A

A

A

T

T

F
|
F

G

G

M

A

V

V

G

K

E

Q

A

A

S

S

A
|
A

P

P

G

G

Q
|
Q

V

I

P

A

L

V

P

N

R

D

L

L

H

R

S

S

I

V

L

L

T

M

L

I

I

L

H

H

E

N

A

A

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 (= E50), R48 (= R52), H143 (= H147), K170 (= K174), M205 (= M209), R213 (= R217), F225 (= F229), A233 (= A237), Q236 (= Q240)

8b2bAAA 3-dehydroquinate dehydratase (see paper)
45% identity, 96% coverage: 7:256/261 of query aligns to 4:252/252 of 8b2bAAA

query
sites
8b2bAAA

V

V

T

T

I

V

K

K

G

N

V

L

S

I

I

I

G

G

T

E

G

G

Q

M

P

P

K

K

I

I

V

V

P

S

I

L

T

M

A

G

K

R

-

D

-

I

-

N

-

S

T

V

H

K

A

A

E

E

V

A

L

L

A

A

G

-

L

-

A

-

G

-

L

-

A

Y

E

R

E

E

D

A

T

T

I

F

D

D

L

I

I

L

E
|
E

L

W

R
|
R

V

V

D

D

H

H

-

F

L

M

D

D

I

I

A

A

L

-

D

S

F

T

G

Q

A

S

V

V

A

L

A

T

L

A

T

A

R

R

E

V

A

I

A

R

E

D

I

A

V

M

P

P

S

D

K

I

P

P

L

L

V

F

T

T

F

F

R

R

T

S

K

A

A

K

E

E

G

G

M

E

T

Q

A

T

I

I

D

T

E

Q

A

H

Y

Y

G

L

R

T

F

L

Y

N

A

R

T

A

V

A

L

I

Q

D

E

S

G

G

K

L

A

V

D

D

L

M

I

I

D

D

V

L

E

E

L

L

V

F

R

T

D

G

E

D

T

A

I

D

I

V

R

K

Q

A

I

T

I

V

T

D

A

Y

A

A

H

H

R

A

T

H

G

N

A

V

Y

Y

V

V

L

M

S

S

N

N

H
|
H

D

D

F

F

A

H

G

Q

T

T

A

P

P

S

V

A

D

E

E

E

L

M

I

V

T

L

R

R

L

L

Q

R

R

K

M

M

Q

Q

D

A

L

L

G

G

A

A

D

D

I

I

I

P

K
|
K

I

I

A

A

T

V

M

M

P

P

K

Q

D

S

A

K

G

H

D

D

L

V

L

L

R

T

L

L

Q

T

A

A

T

T

W

L

E

E

M

M

Y

Q

S

Q

R

H

Y

Y

A

A

T

D

C

R

P

P

M

V

I

I

T

T

M

M

A

S

M

M

A

A

G

K

T

E

G

G

V

V

I

I

S

S

R
|
R

L

L

S

A

G

G

E

E

L

V

F

F

G

G

S

S

C

A

A

A

T

T

F
|
F

G

G

M

A

V

V

G

K

E

Q

A

A

S
|
S

A
|
A

P

P

G

G

Q
|
Q

V

I

P

A

L

V

P

N

R

D

L

L

H

R

S

S

I

V

L

L

T

M

L

I

I

L

H

H

E

N

A

A

binding (4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid: E46 (= E50), R48 (= R52), H143 (= H147), K170 (= K174), R213 (= R217), F225 (= F229), S232 (= S236), A233 (= A237), Q236 (= Q240)

6sfeA Crystal structure of dhq1 from salmonella typhi covalently modified by compound 7 (see paper)
45% identity, 96% coverage: 7:256/261 of query aligns to 4:252/252 of 6sfeA

query
sites
6sfeA

V

V

T

T

I

V

K

K

G

N

V

L

S

I

I

I

G

G

T

E

G

G

Q

M

P

P

K

K

I

I

V

V

P

S

I

L

T

M

A

G

K

R

-

D

-

I

-

N

-

S

T

V

H

K

A

A

E

E

V

A

L

L

A

A

G

-

L

-

A

-

G

-

L

-

A

Y

E

R

E

E

D

A

T

T

I

F

D

D

L

I

I

L

E
|
E

L

W

R
|
R

V

V

D

D

H

H

-

F

L

M

D

D

I

I

A

A

L

-

D

S

F

T

G

Q

A

S

V

V

A

L

A

T

L

A

T

A

R

R

E

V

A

I

A

R

E

D

I

A

V

M

P

P

S

D

K

I

P

P

L

L

V

F

T

T

F

F

R
|
R

T

S

K

A

A

K

E
|
E

G

G

M

E

T

Q

A

T

I

I

D

T

E

Q

A

H

Y

Y

G

L

R

T

F

L

Y

N

A

R

T

A

V

A

L

I

Q

D

E

S

G

G

K

L

A

V

D

D

L

M

I

I

D

D

V

L

E

E

L

L

V

F

R

T

D

G

E

D

T

A

I

D

I

V

R

K

Q

A

I

T

I

V

T

D

A

Y

A

A

H

H

R

A

T

H

G

N

A

V

Y

Y

V

V

L

M

S

S

N

N

H
|
H

D

D

F

F

A

H

G

Q

T

T

A

P

P

S

V

A

D

E

E

E

L

M

I

V

T

L

R

R

L

L

Q

R

R

K

M

M

Q

Q

D

A

L

L

G

G

A

A

D

D

I

I

I

P

K
|
K

I

I

A

A

T

V

M

M

P

P

K

Q

D

S

A

K

G

H

D

D

L

V

L

L

R

T

L

L

Q

T

A

A

T

T

W

L

E

E

M

M

Y

Q

S

Q

R

H

Y

Y

A

A

T

D

C

R

P

P

M

V

I

I

T

T

M

M

A

S

M

M

A

A

G

K

T

E

G

G

V

V

I

I

S

S

R
|
R

L

L

S

A

G

G

E

E

L

V

F

F

G

G

S

S

C

A

A

A

T

T

F
|
F

G

G

M

A

V

V

G

K

E

Q

A

A

S
|
S

A
|
A

P

P

G

G

Q
|
Q

V

I

P

A

L

V

P

N

R

D

L

L

H

R

S

S

I

V

L

L

T

M

L

I

I

L

H

H

E

N

A

A

active site: E86 (= E90), H143 (= H147), K170 (= K174)
binding (1~{S},3~{S},4~{S},5~{R})-3-(aminomethyl)-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid: E46 (= E50), R48 (= R52), R82 (= R86), H143 (= H147), K170 (= K174), R213 (= R217), F225 (= F229), S232 (= S236), A233 (= A237), Q236 (= Q240)

6h5jA Crystal structure of dhq1 from salmonella typhi covalently modified by ligand 4
45% identity, 96% coverage: 7:256/261 of query aligns to 4:252/252 of 6h5jA

query
sites
6h5jA

V

V

T

T

I

V

K

K

G

N

V

L

S

I

I

I

G

G

T

E

G

G

Q

M

P

P

K

K

I

I

V

V

P

S

I

L

T

M

A

G

K

R

-

D

-

I

-

N

-

S

T

V

H

K

A

A

E

E

V

A

L

L

A

A

G

-

L

-

A

-

G

-

L

-

A

Y

E

R

E

E

D

A

T

T

I

F

D

D

L

I

I

L

E
|
E

L

W

R
|
R

V

V

D

D

H

H

-

F

L

M

D

D

I

I

A

A

L

-

D

S

F

T

G

Q

A

S

V

V

A

L

A

T

L

A

T

A

R

R

E

V

A

I

A

R

E

D

I

A

V

M

P

P

S

D

K

I

P

P

L

L

V

F

T

T

F

F

R
|
R

T

S

K

A

A

K

E
|
E

G

G

M

E

T

Q

A

T

I

I

D

T

E

Q

A

H

Y

Y

G

L

R

T

F

L

Y

N

A

R

T

A

V

A

L

I

Q

D

E

S

G

G

K

L

A

V

D

D

L

M

I

I

D

D

V

L

E

E

L

L

V

F

R

T

D

G

E

D

T

A

I

D

I

V

R

K

Q

A

I

T

I

V

T

D

A

Y

A

A

H

H

R

A

T

H

G

N

A

V

Y

Y

V

V

L

M

S

S

N

N

H
|
H

D

D

F

F

A

H

G

Q

T

T

A

P

P

S

V

A

D

E

E

E

L

M

I

V

T

L

R

R

L

L

Q

R

R

K

M

M

Q

Q

D

A

L

L

G

G

A

A

D

D

I

I

I

P

K
|
K

I

I

A

A

T

V

M

M

P

P

K

Q

D

S

A

K

G

H

D

D

L

V

L

L

R

T

L

L

Q

T

A

A

T

T

W

L

E

E

M

M

Y

Q

S

Q

R

H

Y

Y

A

A

T

D

C

R

P

P

M

V

I

I

T

T

M

M

A

S

M

M

A

A

G

K

T

E

G

G

V

V

I

I

S

S

R
|
R

L

L

S

A

G

G

E

E

L

V

F

F

G

G

S

S

C

A

A

A

T

T

F
|
F

G

G

M

A

V

V

G

K

E

Q

A

A

S
|
S

A
|
A

P

P

G

G

Q
|
Q

V

I

P

A

L

V

P

N

R

D

L

L

H

R

S

S

I

V

L

L

T

M

L

I

I

L

H

H

E

N

A

A

active site: E86 (= E90), H143 (= H147), K170 (= K174)
binding (3~{R})-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic acid: E46 (= E50), R48 (= R52), R82 (= R86), H143 (= H147), K170 (= K174), R213 (= R217), F225 (= F229), S232 (= S236), A233 (= A237), Q236 (= Q240)

6h5gA Crystal structure of dhq1 from salmonella typhi covalently modified by ligand 3
45% identity, 96% coverage: 7:256/261 of query aligns to 4:252/252 of 6h5gA

query
sites
6h5gA

V

V

T

T

I

V

K

K

G

N

V

L

S

I

I

I

G

G

T

E

G

G

Q

M

P

P

K

K

I

I

V

V

P

S

I

L

T

M

A

G

K

R

-

D

-

I

-

N

-

S

T

V

H

K

A

A

E

E

V

A

L

L

A

A

G

-

L

-

A

-

G

-

L

-

A

Y

E

R

E

E

D

A

T

T

I

F

D

D

L

I

I

L

E
|
E

L

W

R
|
R

V

V

D

D

H

H

-

F

L

M

D

D

I

I

A

A

L

-

D

S

F

T

G

Q

A

S

V

V

A

L

A

T

L

A

T

A

R

R

E

V

A

I

A

R

E

D

I

A

V

M

P

P

S

D

K

I

P

P

L

L

V

F

T

T

F

F

R
|
R

T

S

K

A

A

K

E
|
E

G

G

M

E

T

Q

A

T

I

I

D

T

E

Q

A

H

Y

Y

G

L

R

T

F

L

Y

N

A

R

T

A

V

A

L

I

Q

D

E

S

G

G

K

L

A

V

D

D

L

M

I

I

D

D

V

L

E

E

L

L

V

F

R

T

D

G

E

D

T

A

I

D

I

V

R

K

Q

A

I

T

I

V

T

D

A

Y

A

A

H

H

R

A

T

H

G

N

A

V

Y

Y

V

V

L

M

S

S

N

N

H
|
H

D

D

F

F

A

H

G

Q

T

T

A

P

P

S

V

A

D

E

E

E

L

M

I

V

T

L

R

R

L

L

Q

R

R

K

M

M

Q

Q

D

A

L

L

G

G

A

A

D

D

I

I

I

P

K
|
K

I

I

A

A

T

V

M

M

P

P

K

Q

D

S

A

K

G

H

D

D

L

V

L

L

R

T

L

L

Q

T

A

A

T

T

W

L

E

E

M

M

Y

Q

S

Q

R

H

Y

Y

A

A

T

D

C

R

P

P

M

V

I

I

T

T

M
|
M

A

S

M

M

A

A

G

K

T

E

G

G

V

V

I

I

S

S

R
|
R

L

L

S

A

G

G

E

E

L

V

F

F

G

G

S

S

C

A

A

A

T

T

F
|
F

G

G

M

A

V

V

G

K

E

Q

A

A

S
|
S

A
|
A

P

P

G

G

Q
|
Q

V

I

P

A

L

V

P

N

R

D

L

L

H

R

S

S

I

V

L

L

T

M

L

I

I

L

H

H

E

N

A

A

active site: E86 (= E90), H143 (= H147), K170 (= K174)
binding (1~{R},3~{S},4~{R},5~{R})-3-methyl-4,5-bis(hydroxyl)cyclohexane-1-carboxylic acid: E46 (= E50), R48 (= R52), R82 (= R86), K170 (= K174), M203 (= M207), R213 (= R217), F225 (= F229), S232 (= S236), A233 (= A237), Q236 (= Q240)

6h5cA Crystal structure of dhq1 from salmonella typhi covalently modified by ligand 1
45% identity, 96% coverage: 7:256/261 of query aligns to 4:252/252 of 6h5cA

query
sites
6h5cA

V

V

T

T

I

V

K

K

G

N

V

L

S

I

I

I

G

G

T

E

G

G

Q

M

P

P

K

K

I

I

V

V

P

S

I

L

T

M

A

G

K

R

-

D

-

I

-

N

-

S

T

V

H

K

A

A

E

E

V

A

L

L

A

A

G

-

L

-

A

-

G

-

L

-

A

Y

E

R

E

E

D

A

T

T

I

F

D

D

L

I

I

L

E
|
E

L

W

R
|
R

V

V

D

D

H

H

-

F

L

M

D

D

I

I

A

A

L

-

D

S

F

T

G

Q

A

S

V

V

A

L

A

T

L

A

T

A

R

R

E

V

A

I

A

R

E

D

I

A

V

M

P

P

S

D

K

I

P

P

L

L

V

F

T

T

F

F

R
|
R

T

S

K

A

A

K

E
|
E

G

G

M

E

T

Q

A

T

I

I

D

T

E

Q

A

H

Y

Y

G

L

R

T

F

L

Y

N

A

R

T

A

V

A

L

I

Q

D

E

S

G

G

K

L

A

V

D

D

L

M

I

I

D

D

V

L

E

E

L

L

V

F

R

T

D

G

E

D

T

A

I

D

I

V

R

K

Q

A

I

T

I

V

T

D

A

Y

A

A

H

H

R

A

T

H

G

N

A

V

Y

Y

V

V

L

M

S

S

N

N

H
|
H

D

D

F

F

A

H

G

Q

T

T

A

P

P

S

V

A

D

E

E

E

L

M

I

V

T

L

R

R

L

L

Q

R

R

K

M

M

Q

Q

D

A

L

L

G

G

A

A

D

D

I

I

I

P

K
|
K

I

I

A

A

T

V

M

M

P

P

K

Q

D

S

A

K

G

H

D

D

L

V

L

L

R

T

L

L

Q

T

A

A

T

T

W

L

E

E

M

M

Y

Q

S

Q

R

H

Y

Y

A

A

T

D

C

R

P

P

M

V

I

I

T

T

M

M

A

S

M

M

A

A

G

K

T

E

G

G

V

V

I

I

S

S

R
|
R

L

L

S

A

G

G

E

E

L

V

F

F

G

G

S

S

C

A

A

A

T

T

F
|
F

G

G

M

A

V

V

G

K

E

Q

A

A

S
|
S

A
|
A

P

P

G

G

Q
|
Q

V

I

P

A

L

V

P

N

R

D

L

L

H

R

S

S

I

V

L

L

T

M

L

I

I

L

H

H

E

N

A

A

active site: E86 (= E90), H143 (= H147), K170 (= K174)
binding (1~{S},3~{R},4~{S},5~{R})-3-methyl-3,4,5-tris(hydroxyl)cyclohexane-1-carboxylic Acid: E46 (= E50), R48 (= R52), R82 (= R86), H143 (= H147), K170 (= K174), R213 (= R217), F225 (= F229), S232 (= S236), A233 (= A237), Q236 (= Q240)

4cnpA Structure of the salmonella typhi type i dehydroquinase inhibited by a 3-epiquinic acid derivative
45% identity, 96% coverage: 7:256/261 of query aligns to 4:252/252 of 4cnpA

query
sites
4cnpA

V

V

T

T

I

V

K

K

G

N

V

L

S

I

I

I

G

G

T

E

G

G

Q

M

P

P

K

K

I

I

V

V

P

S

I

L

T

M

A

G

K

R

-

D

-

I

-

N

-

S

T

V

H

K

A

A

E

E

V

A

L

L

A

A

G

-

L

-

A

-

G

-

L

-

A

Y

E

R

E

E

D

A

T

T

I

F

D

D

L

I

I

L

E
|
E

L

W

R
|
R

V

V

D

D

H

H

-

F

L

M

D

D

I

I

A

A

L

-

D

S

F

T

G

Q

A

S

V

V

A

L

A

T

L

A

T

A

R

R

E

V

A

I

A

R

E

D

I

A

V

M

P

P

S

D

K

I

P

P

L

L

V

F

T

T

F

F

R
|
R

T

S

K

A

A

K

E
|
E

G

G

M

E

T

Q

A

T

I

I

D

T

E

Q

A

H

Y

Y

G

L

R

T

F

L

Y

N

A

R

T

A

V

A

L

I

Q

D

E

S

G

G

K

L

A

V

D

D

L

M

I

I

D

D

V

L

E

E

L

L

V

F

R

T

D

G

E

D

T

A

I

D

I

V

R

K

Q

A

I

T

I

V

T

D

A

Y

A

A

H

H

R

A

T

H

G

N

A

V

Y

Y

V

V

L

M

S

S

N

N

H
|
H

D

D

F

F

A

H

G

Q

T

T

A

P

P

S

V

A

D

E

E

E

L

M

I

V

T

L

R

R

L

L

Q

R

R

K

M

M

Q

Q

D

A

L

L

G

G

A

A

D

D

I

I

I

P

K
|
K

I

I

A

A

T

V

M

M

P

P

K

Q

D

S

A

K

G

H

D

D

L

V

L

L

R

T

L

L

Q

T

A

A

T

T

W

L

E

E

M

M

Y

Q

S

Q

R

H

Y

Y

A

A

T

D

C

R

P

P

M

V

I

I

T

T

M
|
M

A

S

M

M

A

A

G

K

T

E

G

G

V

V

I

I

S

S

R
|
R

L

L

S

A

G

G

E

E

L

V

F

F

G

G

S

S

C

A

A

A

T

T

F
|
F

G

G

M

A

V

V

G

K

E

Q

A

A

S
|
S

A
|
A

P

P

G

G

Q
|
Q

V

I

P

A

L

V

P

N

R

D

L

L

H

R

S

S

I

V

L

L

T

M

L

I

I

L

H

H

E

N

A

A

active site: E86 (= E90), H143 (= H147), K170 (= K174)
binding (2s)-2-hydroxy-3-epiquinic acid: E46 (= E50), R48 (= R52), R82 (= R86), K170 (= K174), M203 (= M207), R213 (= R217), F225 (= F229), S232 (= S236), A233 (= A237), Q236 (= Q240)

P24670 3-dehydroquinate dehydratase; 3-dehydroquinase; Type I DHQase; Type I dehydroquinase; DHQ1; EC 4.2.1.10 from Salmonella typhi (see 3 papers)
45% identity, 96% coverage: 7:256/261 of query aligns to 4:252/252 of P24670

query
sites
P24670

V

V

T

T

I

V

K

K

G

N

V

L

S

I

I

I

G

G

T

E

G

G

Q

M

P

P

K

K

I

I

V

V

P
x
S

I

L

T

M

A

G

K

R

-

D

-

I

-

N

-

S

T

V

H

K

A

A

E

E

V

A

L

L

A

A

G

-

L

-

A

-

G

-

L

-

A

Y

E

R

E

E

D

A

T

T

I

F

D

D

L

I

I

L

E
|
E

L
x
W

R
|
R

V

V

D

D

H

H

-

F

L

M

D

D

I

I

A

A

L

-

D

S

F

T

G

Q

A

S

V

V

A

L

A

T

L

A

T

A

R

R

E

V

A

I

A

R

E

D

I

A

V

M

P

P

S

D

K

I

P

P

L

L

V

F

T

T

F

F

R
|
R

T

S

K

A

A

K

E

E

G

G

M

E

T

Q

A

T

I

I

D

T

E

Q

A

H

Y

Y

G

L

R

T

F

L

Y

N

A

R

T

A

V

A

L

I

Q

D

E

S

G

G

K

L

A

V

D

D

L

M

I

I

D

D

V

L

E

E

L

L

V

F

R

T

D

G

E

D

T

A

I

D

I

V

R

K

Q

A

I

T

I

V

T

D

A

Y

A

A

H

H

R

A

T

H

G

N

A

V

Y

Y

V

V

L

M

S

S

N

N

H

H

D

D

F

F

A

H

G

Q

T

T

A

P

P

S

V

A

D

E

E

E

L

M

I

V

T

L

R

R

L

L

Q

R

R

K

M

M

Q

Q

D

A

L

L

G

G

A

A

D

D

I

I

I

P

K
|
K

I

I

A

A

T

V

M

M

P

P

K

Q

D

S

A

K

G

H

D

D

L

V

L

L

R

T

L

L

Q

T

A

A

T

T

W

L

E

E

M

M

Y

Q

S

Q

R

H

Y

Y

A

A

T

D

C

R

P

P

M

V

I

I

T

T

M

M

A

S

M

M

A

A

G

K

T

E

G

G

V

V

I

I

S

S

R
|
R

L

L

S

A

G

G

E

E

L

V

F

F

G

G

S

S

C

A

A

A

T

T

F

F

G

G

M

A

V

V

G

K

E

Q

A

A

S
|
S

A

A

P

P

G

G

Q
|
Q

V

I

P

A

L

V

P

N

R

D

L

L

H

R

S

S

I

V

L

L

T

M

L

I

I

L

H

H

E

N

A

A

S21 (≠ P24) binding
EWR 46:48 (≠ ELR 50:52) binding
R82 (= R86) binding
K170 (= K174) active site, Schiff-base intermediate with substrate
R213 (= R217) binding
S232 (= S236) binding
Q236 (= Q240) binding

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)
43% identity, 96% coverage: 7:256/261 of query aligns to 17:265/265 of 4guhB

query
sites
4guhB

V

V

T

T

I

V

K

R

G

D

V

L

S

V

I

V

G

G

T

E

G

G

Q

A

P

P

K

K

I

I

V

V

P

S

I

L

T

M

A

G

K

K

T

T

H

I

A

T

E

D

V

V

L

K

A

S

G

E

L

A

A

L

G

A

L

Y

A

R

E

E

E

A

D

D

T

-

I

F

D

D

L

I

I

L

E
|
E

L

W

R
|
R

V

V

D

D

H

H

L

F

D

A

I

N

A

V

L

T

D

T

F

A

G

E

A

S

V

V

A

L

A

E

L

A

T

A

R

G

E

A

A

I

A

R

E

E

I

I

V

I

P

T

S

D

K

K

P

P

L

L

V

F

T

T

F

F

R
|
R

T

S

K

A

A

K

E
x
A

G

G

M

E

T

Q

A

A

I

L

D

T

E

G

A

Q

Y

Y

G

I

R

D

F

L

Y

N

A

R

T

A

V

A

L

V

Q

D

E

S

G

G

K

L

A

V

D

D

L

M

I

I

D

D

V

L

E

E

L

L

V

F

R

T

D

G

E

D

T

D

I

E

I

V

R

K

Q

A

I

T

I

V

T

G

A

Y

A

A

H

H

R

Q

T

H

G

N

A

V

Y

A

V

V

V

I

L

M

S

S

N

N

H
|
H

D

D

F

F

A

H

G

K

T

T

A

P

P

A

V

A

D

E

E

E

L

I

I

V

T

Q

R

R

L

L

Q

R

R

K

M

M

Q

Q

D

E

L

L

G

G

A

A

D

D

I

I

I

P

K
|
K

I

I

A

A

T

V

M

M

P

P

K

Q

D

T

A

K

G

A

D

D

L

V

L

L

R

T

L

L

Q

T

A

A

T

T

W

V

E

E

M

M

Y

Q

S

E

R

R

Y

Y

A

A

T

D

C

R

P

P

M

I

I

I

T

T

M
|
M

A

S

M

M

A

S

G

K

T

T

G

G

V

V

I

I

S

S

R
|
R

L

L

S

A

G

G

E

E

L

V

F

F

G

G

S

S

C

A

A

A

T

T

F
|
F

G

G

M

A

V

V

G

K

E

K

A

A

S

S

A
|
A

P

P

G

G

Q
|
Q

V

I

P

S

L

V

P

A

R

D

L

L

H

R

S

T

I

V

L

L

T

T

L

I

I

L

H

H

E

Q

A

A

active site: A99 (≠ E90), H156 (= H147), K183 (= K174)
binding (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid: E59 (= E50), R61 (= R52), R95 (= R86), K183 (= K174), M216 (= M207), R226 (= R217), F238 (= F229), A246 (= A237), Q249 (= Q240)

Query Sequence

>WP_034997810.1 NCBI__GCF_000745425.1:WP_034997810.1
MIETPVVTIKGVSIGTGQPKIIVPITAKTHAEVLAGLAGLAEEDTIDLIELRVDHLDIAL
DFGAVAALTREAAEIVPSKPLLVTFRTKAEGGMTAIDDEAYGRFYATVLQEGKADLIDVE
LVRDETIIRQIITAAHRTGAYVVLSNHDFAGTAPVDELITRLQRMQDLGADIIKIATMPK
DAGDLLRLLQATWEMYSRYATCPMITMAMAGTGVISRLSGELFGSCATFGMVGEASAPGQ
VPLPRLHSILTLIHEALAPRS

Or try a new SitesBLAST search

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