SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011427022.1 NCBI__GCF_000092045.1:WP_011427022.1 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)

Q9KNV2 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
47% identity, 94% coverage: 10:364/377 of query aligns to 1:347/361 of Q9KNV2

query
sites
Q9KNV2

V

M

Q

E

T

R

V

I

H

T

V

V

P

N

L

L

G

G

E

E

R

R

A

S

Y

Y

D

P

I

I

L

S

I

I

G

G

P

A

G

G

L

L

I

F

A

A

R

N

A

P

G

A

T

-

E

-

I

L

A

L

S

S

R

L

L

S

K

A

G

K

R

Q

K

K

A

V

I

I

I

V

T

T

D
x
N

E

H

N

T

V

V

A

A

P

P

L

L

Y

Y

L

A

D

P

A

A

L

I

V

I

A

S

S

L

L

L

D

D

A

H

A

I

G

G

I

C

V

Q

S

H

A

A

E

L

V

L

V

E

L

L

P

P

A
x
D

G
|
G

E
|
E

K
x
Q

T
x
Y

K
|
K

S

T

F

L

E

E

H

T

L

F

I

N

T

T

V

V

C

M

D

S

K

F

V

L

L

L

E

E

A

H

R

N

V

Y

E

S

R

R

N

D

D

V

C

V

V

V

I

I

A

A

L

L

G

G

G
|
G

V
|
V

I
|
I

G
|
G

D
|
D

L

L

S

V

G

G

F

F

A

A

G

A

I

C

V

Y

R

Q

R

R

G

G

V

V

R

D

F

F

V

I

Q

Q

V

I

P

P

T
|
T

S
x
T

L

L

S

S

Q

Q

V

V

D

D

S

S

V

V

G

G

K
|
K

T

T

G

A

I

V

N

N

S

H

P

P

R

L

H

-

G

G

K
|
K

N
|
N

L

M

I

I

G

G

V

A

F

F

H

Y

Q

Q

P

P

D

K

L

A

V

V

L

V

A

I

D

D

T

T

D

D

V
x
C

L
|
L

N
x
T

T
|
T

L

L

S

P

E

A

R

R

E

E

F

F

R

A

A

A

G

G

Y

M

A

A

E

E

V

V

A

I

K

K

Y

Y

G

G

L

I

I

I

D

Y

K

D

P

S

D

A

F

F

T

D

W

W

L

L

E

E

A

A

N

Q

W

M

R

E

S

A

V

L

F

Y

T

A

-

L

G

D

G

E

S

Q

A

A

R

L

I

T

E

Y

A

A

I

I

A

A

A

R

S

C

C

C

Q

Q

A

I

K

K

A

A

D

E

V

V

V

A

A

Q

D

D

E

E

R

K

E

E

N

S

G

G

Q

I

R

R

A

A

L

L

N

N

L

L

G

G

H

H

T

T

F

F

G

G

H

H

A

A

L

I

E

E

A

A

A

H

T

M

A

G

Y

Y

D

G

S

N

R

-

L

W

V

L

H

H

G

G

E

E

G

A

V

V

S

S

I

A

G

G

M

T

V

V

L

M

A

A

H

A

E

K

F

T

S

A

A

Q

R

L

M

Q

N

G

L

L

A

I

S

D

P

A

D

S

D

Q

A

F

R

E

R

R

V

I

E

L

R

A

H

I

L

L

R

K

E

K

V

A

G

H

L

L

P

P

T

V

R

R

M

T

S

P

E

E

I

-

A

-

G

-

E

N

L

M

P

T

P

F

A

A

E

D

V

-

L

F

M

M

E

Q

A

H

I

M

A

M

Q

R

D

D

K

K

V

V

K

L

S

A

G

G

K

E

L

L

T

R

F

L

I

V

L

L

T

P

R

T

G

S

I

I

G

G

Q

T

S

S

F

A

V

V

A

V

D

K

D

G

V

V

P

P

N41 (≠ D52) binding NAD(+)
DGEQYK 70:75 (≠ AGEKTK 81:86) binding NAD(+)
GVIGD 104:108 (= GVIGD 115:119) binding NAD(+)
TT 128:129 (≠ TS 139:140) binding NAD(+)
K141 (= K152) binding NAD(+)
KN 150:151 (= KN 162:163) binding NAD(+)
CLTT 168:171 (≠ VLNT 180:183) binding NAD(+)

5eksA Structure of 3-dehydroquinate synthase from acinetobacter baumannii in complex with NAD
45% identity, 94% coverage: 10:362/377 of query aligns to 2:339/355 of 5eksA

query
sites
5eksA

V

M

Q

Q

T

T

V

L

H

H

V

V

P

E

L

L

G

G

E

E

R

R

A

R

Y

Y

D

P

I

I

L

F

I

I

G

G

P

S

G

Q

L

L

I

D

A

P

R

K

A

Q

G

L

T

L

E

E

I

-

A

-

S

P

R

Y

L

I

K

H

G

G

R

Q

K

Q

A

V

A

M

I

I

I

V

T

S

D
x
N

E

V

N

T

V
|
V

A

A

P

P

L

L

Y

Y

L

L

D

S

A

H

L

Y

V

Q

A

E

S

A

L

L

D

E

A

S

A

L

G

G

I

K

V

T

S

V

A

A

E

T

V

C

V

I

L

L

P

P

A
x
D

G

G

E
|
E

K

K

T

Y

K
|
K

S

D

F

I

E

Q

H

H

L

L

I

N

T

L

V

I

C

F

D

D

K

A

V

L

L

L

E

E

A

A

R

G

V

F

E

N

R

R

N

D

D

C

C

T

V

V

I

L

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

L

M

S

A

G

G

F

F

A

A

A

S

G

A

I

C

V

F

R

Q

R
|
R

G

G

V

V

R

Y

F

F

V

V

Q

Q

V

V

P

P

T
|
T

S
x
T

L

L

S

S

Q

Q

V

V

D
|
D

S
|
S

S

S

V

V

G

G

K
|
K

T

T

G

G

I

I

N

N

S

H

P

P

R

L

H

-

G

G

K

K

N

N

L

M

I

L

G

G

V

A

F

F

H

Q

Q

Q

P

P

D

Q

L

V

V

V

L

L

A

A

D

D

T

M

D

A

V

Q

L

L

N

N

T
|
T

L
|
L

S

P

E

E

R

R

E
|
E

F

L

R

S

A

A

G

G

Y

L

A

A

E
|
E

V

V

A

I

K

K

Y

Y

G

A

L

L

I

L

D

G

K

D

P

E

D

D

F

F

F

L

T

V

W

W

L

L

E

E

A

E

N

N

W

M

R

D

S

G

V

L

F

V

T

A

G

R

G

D

S

A

A

D

R

L

I

L

-

A

E

E

A

A

I

V

A

Y

A

R

S

S

C

C

Q

A

A

H

K
|
K

A

A

D

R

V

I

V

V

V

A

A

N

D

D

E

E

R

K

E

E

N

-

G

-

Q

-

R
|
R

A

A

L

L

N
|
N

L

L

G

G

H
|
H

T

T

F

F

G

G

H
|
H

A

A

L

I

E

E

A

S

A

Y

T

L

A

G

Y

Y

D

G

S

T

R

-

L

W

V

L

H
|
H

G

G

E

E

G

A

V

V

S

A

I

T

G

G

M

M

V

V

L

M

A

A

H

A

E

D

F

L

S

S

A

Q

R

R

M

L

N

G

L

W

A

I

S

S

P

N

D

E

D

D

A

V

R

A

R

R

V

T

E

K

R

K

H

I

L

I

R

Q

E

R

V

A

G

N

L

L

P

P

T

I

R

S

M

C

S

P

E

Q

I

I

A

-

G

-

E

-

L

-

P

-

P

P

A

L

E

D

V

D

L

F

M

L

E

G

A

Y

I

M

A

A

Q

H

D

D

K

K

V

V

K

-

S

-

G

-

K

Q

L

L

T

R

F

L

I

V

L

L

T

L

R

K

G

Q

I

L

G

G

Q

Q

S

A

F

V

V

I

A

T

D

K

D

D

active site: R120 (= R130), K142 (= K152), E184 (= E195), K226 (= K236), R237 (= R250), N241 (= N254), H244 (= H257), H248 (= H261), H261 (= H276)
binding magnesium ion: E184 (= E195), H244 (= H257), H261 (= H276)
binding nicotinamide-adenine-dinucleotide: N42 (≠ D52), V45 (= V55), D71 (≠ A81), E73 (= E83), K76 (= K86), G104 (= G114), G105 (= G115), V106 (= V116), D109 (= D119), T129 (= T139), T130 (≠ S140), D136 (= D146), S137 (= S147), K142 (= K152), T172 (= T183), L173 (= L184), E177 (= E188)

U3KRF2 3-dehydroquinate synthase, chloroplastic; EC 4.2.3.4 from Actinidia chinensis var. chinensis (Chinese soft-hair kiwi) (see paper)
46% identity, 92% coverage: 7:353/377 of query aligns to 78:419/445 of U3KRF2

query
sites
U3KRF2

T

S

S

S

A

A

V

P

Q

T

T

I

V

V

H

D

V

V

P

D

L

L

G

G

E

D

R

R

A

S

Y

Y

D

P

I

I

L

Y

I

I

G

G

P

S

G

G

L

L

I

L

A

D

R

Q

A

P

G

D

T

L

E

-

I

L

A

Q

S

R

R

H

L

V

K

H

G

G

R

K

K

R

A

V

A

L

I

V

T

T

D
x
N

E

S

N

T

V

V

A

A

P

P

L

I

Y

Y

L

L

D

D

A

K

L

V

V

V

A

G

S

A

L

L

-

T

D

N

A

G

A

N

G

P

I

N

V

V

S

S

A

V

E

E

-

S

V

V

V

I

L

L

P

P

A
x
D

G
|
G

E
|
E

K

K

T

Y

K
|
K

S

N

F

M

E

D

H

T

L

L

I

M

T

K

V

V

C

F

D

D

K

K

V

A

L

I

E

E

A

S

R

R

V

L

E

D

R

R

N

R

D

C

C

T

V

F

I

V

A

A

L

L

G

G

G
|
G

V
|
V

I
|
I

G
|
G

D
|
D

L

M

S

C

G

G

F

Y

A

A

G

A

I

S

V

F

R

L

R

R

G

G

V

V

R

N

F

F

V

I

Q

Q

V

I

P

P

T
|
T

S
x
T

L

V

L

M

S

A

Q

Q

V

V

D

D

S

S

V

V

G

G

K
|
K

T

T

G

G

I

I

N

N

S

H

P

-

R

R

H

L

G

G

K
|
K

N

N

L

L

I

I

G

G

V

A

F

F

H

Y

Q

Q

P

P

D

Q

L

C

V

V

L

L

A

I

D

D

T

T

D

D

V
x
T

L
|
L

N
|
N

T
|
T

L

L

S

P

E

D

R

R

E

E

F

L

R

A

A

S

G

G

Y

L

A

A

E

E

V

V

A

V

K

K

Y

Y

G

G

L

L

I

I

D

R

K

D

P

A

D

N

F

F

T

E

W

W

L

Q

E

E

A

K

N

N

W

M

R

P

S

A

V

L

F

M

T

A

-

R

G

D

G

P

S

S

A

A

R

L

I

A

E

Y

A

A

I

I

A

K

A

R

S

S

C

C

Q

E

A

N

K
|
K

A

A

D

E

V

V

V

S

A

L

D

D

E

E

R

K

E

E

N

S

G

G

Q

L

R

R

A

A

L

T

L

L

N

N

L

L

G

G

H

H

T

T

F

F

G

G

H

H

A

A

L

I

E

E

A

T

A

G

T

F

A

G

Y

Y

D

G

S

-

R

-

R

Q

L

W

V

L

H

H

G

G

E

E

G

A

V

V

S

A

I

A

G

G

M

M

V

V

L

M

A

A

H

V

E

D

F

M

S

S

A

Y

R

R

M

L

N

G

L

W

A

I

S

D

P

E

D

S

D

I

A

V

R

N

R

R

V

A

E

H

R

N

H

I

L

L

R

Q

E

Q

V

A

G

K

L

L

P

P

T

T

R

A

M

P

S

P

E

E

I

T

A

M

G

-

E

-

L

-

P

-

P

T

A

V

E

E

V

M

L

F

M

K

E

S

A

V

I

M

A

A

Q

V

D

D

K

K

V

V

K

A

S

D

G

G

K

L

L

L

T

R

F

L

I

I

L

L

T

L

R

K

G

G

N122 (≠ D52) binding NAD(+)
DGE 153:155 (≠ AGE 81:83) binding NAD(+)
K158 (= K86) binding NAD(+)
GGVIGD 186:191 (= GGVIGD 114:119) binding NAD(+)
TT 211:212 (≠ TS 139:140) binding NAD(+)
K224 (= K152) binding NAD(+)
K233 (= K162) binding NAD(+)
TLNT 251:254 (≠ VLNT 180:183) binding NAD(+)
K308 (= K236) binding NAD(+)

3zokA Structure of 3-dehydroquinate synthase from actinidia chinensis in complex with NAD (see paper)
46% identity, 90% coverage: 13:353/377 of query aligns to 4:339/365 of 3zokA

query
sites
3zokA

V

V

H

D

V

V

P

D

L

L

G

G

E

D

R

R

A

S

Y

Y

D

P

I

I

L

Y

I

I

G

G

P

S

G

G

L

L

I

L

A

D

R

Q

A

P

G

D

T

L

E

-

I

L

A

Q

S

R

R

H

L

V

K

H

G

G

R

K

K

R

A

V

A

L

I

V

T

T

D

N

E

S

N
x
T

V
|
V

A

A

P

P

L

I

Y

Y

L

L

D

D

A

K

L

V

V

V

A

G

S

A

L

L

-

T

-

N

D

E

A

N

A

P

G

N

I

V

V

S

S

V

A

E

E

S

V

V

V

I

L

L

P

P

A
x
D

G

G

E
|
E

K

K

T

Y

K
|
K

S

N

F

M

E

D

H

T

L

L

I

M

T

K

V

V

C

F

D

D

K

K

V

A

L

I

E

E

A

S

R

R

V

L

E

D

R

R

N

R

D

C

C

T

V

F

I

V

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

L

M

S

C

G

G

F

Y

A

A

G

A

I

S

V

F

R

L

R
|
R

G

G

V

V

R

N

F

F

V

I

Q

Q

V

I

P

P

T
|
T

S
x
T

L

V

L
x
M

S

A

Q

Q

V

V

D
|
D

S
|
S

S

S

V

V

G

G

K
|
K

T

T

G

G

I

I

N

N

S

H

P

-

R

R

H

L

G

G

K
|
K

N

N

L

L

I

I

G

G

V

A

F

F

H

Y

Q

Q

P

P

D

Q

L

C

V

V

L

L

A

I

D

D

T

T

D

D

V

T

L

L

N

N

T
|
T

L
|
L

S

P

E

D

R

R

E
|
E

F

L

R

A

A

S

G

G

Y

L

A

A

E
|
E

V

V

A

V

K

K

Y

Y

G

G

L

L

I

I

D

R

K

D

P

A

D

N

F

F

T

E

W

W

L

Q

E

E

A

K

N

N

W

M

R

P

S

A

V

L

F

M

T

A

-

R

G

D

G

P

S

S

A

A

R

L

I

A

E

Y

A

A

I

I

A

K

A

R

S

S

C

C

Q

E

A

N

K
|
K

A

A

D

E

V

V

V

S

A

L

D

D

E

E

R

K

E
|
E

N

S

G

G

Q

L

R
|
R

A

A

L

T

L

L

N
|
N

L

L

G

G

H
|
H

T

T

F

F

G

G

H
|
H

A

A

L

I

E

E

A

T

A

G

T

F

A

G

Y

Y

D

G

S

-

R

-

R

Q

L

W

V

L

H
|
H

G

G

E

E

G

A

V

V

S

A

I

A

G

G

M

M

V

V

L

M

A

A

H

V

E

D

F

M

S

S

A

Y

R

R

M

L

N

G

L

W

A

I

S

D

P

E

D

S

D

I

A

V

R

N

R

R

V

A

E

H

R

N

H

I

L

L

R

Q

E

Q

V

A

G

K

L

L

P

P

T

T

R

A

M

P

S

P

E

E

I

T

A

M

G

-

E

-

L

-

P

-

P

T

A

V

E

E

V

M

L

F

M

K

E

S

A

V

I

M

A

A

Q

V

D

D

K

K

V

V

K

A

S

D

G

G

K

L

L

L

T

R

F

L

I

I

L

L

T

L

R

K

G

G

active site: R122 (= R130), K144 (= K152), E186 (= E195), K228 (= K236), E238 (= E246), R242 (= R250), N246 (= N254), H249 (= H257), H253 (= H261), H266 (= H276)
binding glycine: K144 (= K152), K228 (= K236), R242 (= R250)
binding nicotinamide-adenine-dinucleotide: T44 (≠ N54), V45 (= V55), D73 (≠ A81), E75 (= E83), K78 (= K86), G106 (= G114), G107 (= G115), V108 (= V116), D111 (= D119), T131 (= T139), T132 (≠ S140), M134 (≠ L142), D138 (= D146), S139 (= S147), K144 (= K152), K153 (= K162), T174 (= T183), L175 (= L184), E179 (= E188), H266 (= H276)

3okfA 2.5 angstrom resolution crystal structure of 3-dehydroquinate synthase (arob) from vibrio cholerae
47% identity, 94% coverage: 10:364/377 of query aligns to 2:346/360 of 3okfA

query
sites
3okfA

V

M

Q

E

T

R

V

I

H

T

V

V

P

N

L

L

G

G

E

E

R

R

A

S

Y

Y

D

P

I

I

L

S

I

I

G

G

P

A

G

G

L

L

I

F

A

A

R

N

A

P

G

A

T

-

E

-

I

L

A

L

S

S

R

L

L

S

K

A

G

K

R

Q

K

K

A

V

I

I

I

V

T

T

D
x
N

E

H

N

T

V

V

A

A

P

P

L
|
L

Y

Y

L

A

D

P

A

A

L

I

V

I

A

S

S

L

L

L

D

D

A

H

A

I

G

G

I

C

V

Q

S

H

A

A

E

L

V

L

V

E

L

L

P

P

A
x
D

G

G

E
|
E

K

Q

T

Y

K
|
K

S

T

F

L

E

E

H

T

L

F

I

N

T

T

V

V

C

M

D

S

K

F

V

L

L

L

E

E

A

H

R

N

V

Y

E

S

R

R

N

D

D

V

C

V

V

V

I

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

L

L

S

V

G

G

F

F

A

A

G

A

I

C

V

Y

R

Q

R
|
R

G

G

V

V

R

D

F

F

V

I

Q

Q

V

I

P

P

T
|
T

S
x
T

L

L

L
|
L

S

S

Q

Q

V

V

D
|
D

S

S

V

V

G

G

K
|
K

T

T

G

A

I

V

N

N

S

H

P

P

R

L

H

-

G

G

K

K

N

N

L

M

I

I

G

G

V

A

F

F

H

Y

Q

Q

P

P

D

K

L

A

V

V

L

V

A

I

D

D

T

T

D

D

V

C

L

L

N

T

T
|
T

L
|
L

S

P

E

A

R

R

E
|
E

F

F

R

A

A

A

G

G

Y

M

A

A

E
|
E

V

V

A

I

K

K

Y

Y

G

G

L

I

I

I

D

Y

K

D

P

S

D

A

F

F

T

D

W

W

L

L

E

E

A

A

N

Q

W

M

R

E

S

A

V

L

F

Y

T

A

-

L

G

D

G

E

S

Q

A

A

R

L

I

T

E

Y

A

A

I

I

A

A

A

R

S

C

C

C

Q

Q

A

I

K
|
K

A

A

D

E

V

V

V

A

A

Q

D

D

E

E

R

K

E

-

N

-

G

G

Q

I

R
|
R

A

A

L

L

N
|
N

L

L

G

G

H
|
H

T

T

F

F

G

G

H
|
H

A

A

L

I

E

E

A

A

A

H

T

M

A

G

Y

Y

D

G

S

N

R

-

L

W

V

L

H
|
H

G

G

E

E

G

A

V

V

S

S

I

A

G

G

M

T

V

V

L

M

A

A

H

A

E

K

F

T

S

A

A

Q

R

L

M

Q

N

G

L

L

A

I

S

D

P

A

D

S

D

Q

A

F

R

E

R

R

V

I

E

L

R

A

H

I

L

L

R

K

E

K

V

A

G

H

L

L

P

P

T

V

R

R

M

T

S

P

E

E

I

-

A

-

G

-

E

N

L

M

P

T

P

F

A

A

E

D

V

-

L

F

M

M

E

Q

A

H

I

M

A

M

Q

R

D

D

K

K

V

V

K

L

S

A

G

G

K

E

L

L

T

R

F

L

I

V

L

L

T

P

R

T

G

S

I

I

G

G

Q

T

S

S

F

A

V

V

A

V

D

K

D

G

V

V

P

P

active site: R120 (= R130), K142 (= K152), E184 (= E195), K226 (= K236), R238 (= R250), N242 (= N254), H245 (= H257), H249 (= H261), H262 (= H276)
binding nicotinamide-adenine-dinucleotide: N42 (≠ D52), L48 (= L58), D71 (≠ A81), E73 (= E83), K76 (= K86), G104 (= G114), G105 (= G115), V106 (= V116), D109 (= D119), T129 (= T139), T130 (≠ S140), L132 (= L142), D136 (= D146), T172 (= T183), L173 (= L184), E177 (= E188)

6llaB Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+ and NAD (see paper)
45% identity, 95% coverage: 10:368/377 of query aligns to 2:354/363 of 6llaB

query
sites
6llaB

V

M

Q

E

T

K

V

V

H

T

V

V

P

T

L

L

G

D

E

E

R

R

A

S

Y

Y

D

P

I

I

L

N

I

I

G

A

P

P

G

S

L

L

I

Y

A

Q

R

Q

A

Q

G

D

T

A

E

-

I

F

A

W

S

P

R

L

L

T

K

A

G

G

R

Q

K

R

A

A

A

M

I

I

I

V

T

T

D

N

E

E

N

T

V
x
L

A

A

P

P

L

L

Y

Y

L

L

D

H

A

K

L

I

V

Q

A

T

S

V

L

L

D

E

A

V

A

S

G

G

I

V

V

K

S

V

A

D

E

S

V

I

L

L

P

P

A
x
D

G

G

E
|
E

K

Q

T

Y

K
|
K

S

S

F

L

E

F

H

I

L

M

I

N

T

D

V

V

C

F

D

T

K

A

V

L

L

L

E

E

A

K

R

H

V

H

E

N

R

R

N

D

D

T

C

T

V

L

I

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

L

L

S

T

G

G

F

F

A

A

G

A

I

S

V

Y

R

Q

R
|
R

G

G

V

V

R

R

F

F

V

I

Q

Q

V

V

P

P

T
|
T

S
x
T

L

L

L
|
L

S

S

Q

Q

V

V

D
|
D

S

S

V

V

G

G

K
|
K

T

T

G

A

I

V

N

N

S

H

P

P

R

L

H

-

G

G

K

K

N

N

L

M

I

I

G

G

V

A

F

F

H

Y

Q

Q

P

P

D

A

L

S

V

V

L

V

A

I

D

D

T

L

D

D

V

C

L

L

N

K

T
|
T

L
|
L

S

P

E

K

R

R

E
|
E

F

L

R

S

A

S

G

G

Y

L

A

A

E
|
E

V

V

A

I

K

K

Y

Y

G

G

L

I

I

I

D

L

K

D

P

G

D

E

F

F

T

S

W

W

L

L

E

E

A

E

N

N

W

I

R

D

S

A

V

L

F

M

T

A

-

L

G

D

G

N

S

Q

A

A

R

M

I

A

E

Y

A

C

I

I

A

R

S

C

C

C

Q

E

A

L

K
|
K

A

A

D

Q

V

V

V

A

A

A

D

D

E

E

R

K

E
|
E

-

T

N

S

G

G

Q

L

R
|
R

A

A

L

L

N
|
N

L

L

G

G

H
|
H

T

T

F

F

G

G

H
|
H

A

A

L

I

E

E

A

A

A

E

T

M

A

G

Y

Y

D

G

S

V

R

-

L

W

V

L

H
|
H

G

G

E

E

G

A

V

V

S

A

I

A

G

G

M

M

V

V

L

M

A

A

H

A

E

K

F

T

S

A

A

E

R

L

M

I

N

G

L

Q

A

F

S

T

P

P

D

E

D

Q

A

T

R

D

R

R

V

V

E

I

R

A

H

L

L

L

R

K

E

R

V

A

G

E

L

L

P

P

T

V

R

T

M

G

S

P

E

-

I

-

A

-

G

A

E

K

L

M

P

Q

P

P

A

D

E

D

V

Y

L

L

M

-

E

P

A

H

I

M

A

M

Q

R

D

D

K

K

V

V

K

M

S

G

G

G

K

K

L

L

T

H

F

L

I

I

L

L

T

P

R

T

G

T

I

I

G

G

Q

H

S

S

F

E

V

M

A

R

D

S

D

D

V

V

P

D

A

A

S

S

E

T

V

V

active site: R121 (= R130), K143 (= K152), E185 (= E195), K227 (= K236), E237 (= E246), R242 (= R250), N246 (= N254), H249 (= H257), H253 (= H261), H266 (= H276)
binding magnesium ion: E185 (= E195), H249 (= H257), H266 (= H276)
binding nicotinamide-adenine-dinucleotide: L46 (≠ V55), D72 (≠ A81), E74 (= E83), K77 (= K86), G105 (= G114), G106 (= G115), V107 (= V116), D110 (= D119), T130 (= T139), T131 (≠ S140), L133 (= L142), D137 (= D146), K143 (= K152), T173 (= T183), L174 (= L184), E178 (= E188)

6lk2A Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+, NAD and chlorogenic acid (see paper)
45% identity, 95% coverage: 10:368/377 of query aligns to 2:350/357 of 6lk2A

query
sites
6lk2A

V

M

Q

E

T

K

V

V

H

T

V

V

P

T

L

L

G

D

E

E

R

R

A

S

Y

Y

D

P

I

I

L

N

I

I

G

A

P

P

G

S

L

L

I

Y

A

Q

R

Q

A

Q

G

D

T

A

E

-

I

F

A

W

S

P

R

L

L

T

K

A

G

G

R

Q

K

R

A

A

A

M

I

I

I

V

T

T

D

N

E

E

N

T

V
x
L

A

A

P

P

L

L

Y

Y

L

L

D

H

A

K

L

I

V

Q

A

T

S

V

L

L

D

E

A

V

A

S

G

G

I

V

V

K

S

V

A

D

E

S

V

I

L

L

P

P

A
x
D

G

G

E
|
E

K

Q

T

Y

K
|
K

S

S

F

L

E

F

H

I

L

M

I

N

T

D

V

V

C

F

D

T

K

A

V

L

L

L

E

E

A

K

R

H

V

H

E

N

R

R

N

D

D

T

C

T

V

L

I

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

L

L

S

T

G

G

F

F

A

A

G

A

I

S

V

Y

R

Q

R
|
R

G

G

V

V

R

R

F

F

V

I

Q

Q

V

V

P

P

T
|
T

S
x
T

L

L

L
|
L

S

S

Q

Q

V

V

D
|
D

S
|
S

S

S

V

V

G

G

K
|
K

T

T

G

A

I

V

N

N

S

H

P

P

R

L

H

-

G

G

K

K

N

N

L

M

I

I

G

G

V

A

F

F

H

Y

Q

Q

P

P

D

A

L

S

V

V

L

V

A

I

D

D

T

L

D

D

V
x
C

L

L

N

K

T
|
T

L
|
L

S
x
P

E

K

R

R

E
|
E

F

L

R

S

A

S

G

G

Y

L

A

A

E
|
E

V

V

A

I

K

K

Y

Y

G

G

L

I

I

I

D

L

K

D

P

G

D

E

F

F

T

S

W

W

L

L

E

E

A

E

N

N

W

I

R

D

S

A

V

L

F

M

T

A

-

L

G

D

G

N

S

Q

A

A

R

M

I

A

E

Y

A

C

I

I

A

R

S

C

C

C

Q

E

A

L

K
|
K

A

A

D

Q

V

V

V

A

A

A

D

D

E

E

R

-

E

-

N

-

G

G

Q

L

R
|
R

A

A

L

L

N
|
N

L

L

G

G

H
|
H

T
|
T

F

F

G

G

H
|
H

A

A

L

I

E

E

A

A

A

E

T

M

A

G

Y

Y

D

G

S

V

R

-

L

W

V

L

H
|
H

G

G

E

E

G

A

V

V

S

A

I

A

G

G

M

M

V

V

L

M

A

A

H

A

E

K

F

T

S

A

A

E

R

L

M

I

N

G

L

Q

A

F

S

T

P

P

D

E

D

Q

A

T

R

D

R

R

V

V

E

I

R

A

H

L

L

L

R

K

E

R

V

A

G

E

L

L

P

P

T

V

R

T

M

G

S

P

E

-

I

-

A

-

G

A

E

K

L

M

P

Q

P

P

A

D

E

D

V

Y

L

L

M

-

E

P

A

H

I

M

A

M

Q

R

D

D

K

K

V

V

K

M

S

G

G

G

K

K

L

L

T

H

F

L

I

I

L

L

T

P

R

T

G

T

I

I

G

G

Q

H

S

S

F

E

V

M

A

R

D

S

D

D

V

V

P

D

A

A

S

S

E

T

V

V

active site: R121 (= R130), K143 (= K152), E185 (= E195), K227 (= K236), R238 (= R250), N242 (= N254), H245 (= H257), H249 (= H261), H262 (= H276)
binding (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid: D137 (= D146), E185 (= E195), K227 (= K236), R238 (= R250), N242 (= N254), H245 (= H257), T246 (= T258), H249 (= H261), H262 (= H276)
binding magnesium ion: E185 (= E195), H245 (= H257), H262 (= H276)
binding nicotinamide-adenine-dinucleotide: L46 (≠ V55), D72 (≠ A81), E74 (= E83), K77 (= K86), G105 (= G114), G106 (= G115), V107 (= V116), D110 (= D119), T130 (= T139), T131 (≠ S140), L133 (= L142), D137 (= D146), S138 (= S147), C170 (≠ V180), T173 (= T183), L174 (= L184), P175 (≠ S185), E178 (= E188)

Q5NFS1 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
41% identity, 90% coverage: 16:355/377 of query aligns to 9:339/359 of Q5NFS1

query
sites
Q5NFS1

P

P

L

T

G

F

E

S

R

P

A

S

Y

Y

D

N

I

I

L

I

I

V

G

D

P

S

G

V

L

L

I

-

A

-

R

-

A

D

G

F

T

S

E

H

I

I

A

L

S

E

R

Y

L

V

K

T

G

N

R

K

K

Q

A

V

A

L

I

V

T

T

D
x
N

E

T

N

T

V

V

A

A

P

K

L

L

Y

Y

L

L

D

T

A

K

L

F

V

L

A

A

S

A

L

L

-

V

D

D

A

D

A

L

G

D

I

V

V

R

S

T

A

C

E

-

V

-

V

I

L

L

P

E

A
x
D

G
|
G

E
|
E

K
x
Q

T
x
Y

K
|
K

S

S

F

Q

E

Q

H

S

L

L

I

D

T

K

V

I

C

L

D

S

K

T

V

L

L

L

E

E

A

N

R

H

V

F

E

T

R

R

N

N

D

S

C

T

V

V

-

L

I

V

A

A

L

L

G

G

G
|
G

V
|
V

I
|
I

G
|
G

D
|
D

L

I

S

T

G

G

F

F

A

A

G

A

I

I

V

Y

R

Q

R

R

G

G

V

I

R

D

F

F

V

I

Q

Q

V

I

P

P

T
|
T

S
x
T

L

L

S

S

Q

Q

V

V

D

D

S

S

V

V

G

G

K
|
K

T

T

G

A

I

I

N

N

S

H

P

-

R

Q

H

L

G

G

K

K

N

N

L

M

I

I

G

G

V

A

F

F

H

Y

Q

Q

P

P

D

K

L

V

V

V

L

Y

A

T

D

S

T

I

D

E

V
x
F

L
x
Y

N
x
K

T
|
T

L

L

S

P

E

Q

R

R

E

E

F

Y

R

I

A

A

G

G

Y

M

A

A

E

E

V

V

A

V

K

K

Y

Y

G

A

L

F

I

I

D

S

K

K

P

-

D

D

F

F

F

Y

T

L

W

W

L

L

E

D

A

S

N

N

W

R

R

D

S

K

V

I

F

L

T

A

G

K

G

D

S

S

A

V

R

T

-

L

I

I

E

E

A

M

I

V

A

K

A

R

S

S

C

C

Q

Q

A

I

K

K

A

A

D

Q

V

V

V

A

A

M

D

D

E

E

R

K

E

E

-

L

N

T

G

G

Q

A

R

R

A

A

L

I

L

L

N

N

L

F

G

G

H

H

T

T

F

F

G

G

H

H

A

A

L

I

E

E

A

K

A

C

T

Q

A

N

Y

Y

D

-

S

-

R

R

R

G

L

L

V

K

H

H

G

G

E

E

G

A

V

V

S

G

I

V

G

G

M

M

V

A

L

Q

A

A

H

I

E

D

F

F

S

S

A

H

R

Y

M

L

N

G

L

L

A

I

S

S

P

Q

D

Q

A

A

R

K

R

D

V

F

E

N

R

D

H

F

L

I

R

V

E

S

V

F

G

G

L

I

P

S

T

I

R

-

M

-

S

-

E

D

I

F

A

P

G

N

E

D

L

I

P

C

P

Q

A

K

E

E

V

F

L

L

M

-

E

E

A

A

I

M

A

L

Q

L

D

D

K

K

V

N

K

S

S

N

G

K

K

E

L

L

T

K

F

F

I

I

L

L

T

I

R

E

G

N

I

I

G

G

N42 (≠ D52) binding NAD(+)
DGEQYK 70:75 (≠ AGEKTK 81:86) binding NAD(+)
GVIGD 105:109 (= GVIGD 115:119) binding NAD(+)
TT 129:130 (≠ TS 139:140) binding NAD(+)
K142 (= K152) binding NAD(+)
FYKT 169:172 (≠ VLNT 180:183) binding NAD(+)

P56081 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
37% identity, 97% coverage: 10:376/377 of query aligns to 1:343/343 of P56081

query
sites
P56081

V

M

Q

Q

T

E

V

I

H

L

V

I

P

P

L

L

G

K

E

E

R

K

A

N

Y

Y

D

K

I

V

L

F

I

L

G

G

P

-

G

-

L

-

I

-

A

-

R

-

A

-

G

-

T

-

E

E

I

L

A

P

S

E

R

I

L

K

K

L

G

K

R

Q

K

K

A

A

A

L

I

I

T

S

D

D

E

S

N

I

V

V

A

A

P

G

L

L

Y

H

L

L

D

P

A

Y

L

L

V

L

A

E

S

R

L

L

D

K

A

A

A

L

G

E

I

V

V

R

S

V

A

C

E

-

V

-

V

V

L

I

P

E

A
x
S

G
|
G

E
|
E

K
|
K

T
x
Y

K
|
K

S

N

F

F

E

H

H

S

L

L

I

E

T

R

V

I

C

L

D

N

K

N

V

A

L

F

E

E

A

M

R

Q

V

L

E

N

R

R

N

H

D

S

C

L

V

M

I

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

S

D

D

L

M

S

V

G

G

F

F

A

A

A

S

G

S

I

I

V

Y

R

F

R

R

G

G

V

I

R

D

F

F

V

I

Q

N

V

I

P

P

T
|
T

S
x
T

L

L

S

A

Q

Q

V

V

D

D

S

A

S

S

V

V

G

G

K

K

T

T

G

G

I

I

N

N

S

T

P

P

R

-

H

Y

G

G

K

K

N
|
N

L

L

I

I

G

G

V

S

F

F

H

H

Q

Q

P

P

D

K

L

A

V

V

L

Y

A

M

D

D

T

L

D

A

V
x
F

L
|
L

N
x
K

T
|
T

L

L

S

E

E

K

R

R

E

E

F

F

R

Q

A

A

G

G

Y

V

A

A

E

E

V

I

A

I

K

K

Y

M

G

A

L

V

I

C

D

F

K

D

P

K

D

N

F

L

F

V

T

E

W

R

L

L

E

E

A

T

N

K

W

-

R

-

S

-

V

-

F

-

T

D

G

L

G

K

S

D

A

C

R

L

I

E

E

E

A

V

I

I

A

F

A

Q

S

S

C

V

Q

N

A

I

K

K

A

A

D

Q

V

V

A

Q

D

D

E

E

R

K

E

E

N

Q

G

N

Q

I

R

R

A

A

L

G

L

L

N

N

L

Y

G

G

H

H

T

T

F

F

G

G

H

H

A

A

L

I

E

E

A

K

A

E

T

T

A

D

Y

Y

D

E

S

-

R

-

R

R

L

F

V

L

H

H

G

G

E

E

G

A

V

I

S

A

I

I

G

G

M

M

V

R

L

M

A

A

H

N

E

D

F

L

S

A

A

L

R

S

M

L

N

G

L

M

A

L

S

T

P

L

D

K

D

E

A

Y

R

E

R

R

V

I

E

E

R

N

H

L

L

L

R

K

E

K

V

F

G

D

L

L

P

I

T

F

R

H

M

Y

S

-

E

-

I

-

A

-

G

-

E

K

L

I

P

L

P

D

A

L

E

Q

V

K

L

F

M

Y

E

E

A

R

I

L

A

F

Q

L

D

D

K

K

V

S

K

E

S

N

G

K

K

T

L

I

T

K

F

F

I

I

L

L

T

P

R

K

G

G

I

V

G

G

Q

A

S

F

F

E

V

V

A

A

D

S

D

H

V

I

P

P

A

K

S

E

E

T

V

I

L

I

S

K

F

V

L

L

R

E

E

K

K

W

H

H

SGEKYK 61:66 (≠ AGEKTK 81:86) binding NAD(+)
GV 95:96 (= GV 115:116) binding NAD(+)
TT 119:120 (≠ TS 139:140) binding NAD(+)
N142 (= N163) binding NAD(+)
FLKT 159:162 (≠ VLNT 180:183) binding NAD(+)

5hvnA 3.0 angstrom crystal structure of 3-dehydroquinate synthase (arob) from francisella tularensis in complex with NAD.
40% identity, 94% coverage: 2:355/377 of query aligns to 2:334/354 of 5hvnA

query
sites
5hvnA

N

N

A

A

I

M

S

I

S

S

T

K

S

L

A

S

V

V

Q

N

T

P

V

T

H

F

V

S

P

P

L

-

G

-

E

-

R

-

A

S

Y

Y

D

N

I

I

L

I

I

V

G

D

P

S

G

V

L

L

I

-

A

-

R

-

A

D

G

F

T

S

E

H

I

I

A

L

S

E

R

Y

L

V

K

T

G

N

R

K

K

Q

A

V

A

L

I

V

T

T

D
x
N

E

T

N

T

V

V

A

A

P

K

L
|
L

Y

Y

L

L

D

T

A

K

L

F

V

L

A

A

S

A

L

L

-

V

D

D

A

D

A

L

G

D

I

V

V

R

S

T

A

C

E

-

V

-

V

I

L

L

P

E

A
x
D

G

G

E
|
E

K

Q

T

Y

K
|
K

S

S

F

Q

E

Q

H

S

L

L

I

D

T

K

V

I

C

L

D

S

K

T

V

L

L

L

E

E

A

N

R

H

V

F

E

T

R

R

N

N

D

S

C

T

V

V

-

L

I

V

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

L

I

S

T

G

G

F

F

A

A

G

A

I

I

V

Y

R

Q

R
|
R

G

G

V

I

R

D

F

F

V

I

Q

Q

V

I

P

P

T
|
T

S
x
T

L

L

L
|
L

S

S

Q

Q

V

V

D
|
D

S

S

V

V

G

G

K
|
K

T

T

G

A

I

I

N

N

S

H

P

-

R

Q

H

L

G

G

K

K

N

N

L

M

I

I

G

G

V

A

F

F

H

Y

Q

Q

P

P

D

K

L

V

V

V

L

Y

A

T

D

S

T

I

D

E

V
x
F

L

Y

N

K

T
|
T

L
|
L

S

P

E

Q

R

R

E
|
E

F

Y

R

I

A

A

G

G

Y

M

A

A

E
|
E

V

V

A

V

K

K

Y

Y

G

A

L

F

I

I

D

S

K

K

P

-

D

D

F

F

F

Y

T

L

W

W

L

L

E

D

A

S

N

N

W

R

R

D

S

K

V

I

F

L

T

A

G

K

G

D

S

S

A

V

R

T

-

L

I

I

E

E

A

M

I

V

A

K

A

R

S

S

C

C

Q

Q

A

I

K
|
K

A

A

D

Q

V

V

V

A

A

M

D

D

E

-

R

-

E

-

N

T

G

G

Q

A

R
|
R

A

A

L

I

L

L

N
|
N

L

F

G

G

H
|
H

T

T

F

F

G

G

H
|
H

A

A

L

I

E

E

A

K

A

C

T

Q

A

N

Y

Y

D

-

S

-

R

R

R

G

L

L

V

K

H
|
H

G

G

E

E

G

A

V

V

S

G

I

V

G

G

M

M

V

A

L

Q

A

A

H

I

E

D

F

F

S

S

A

H

R

Y

M

L

N

G

L

L

A

I

S

S

P

Q

D

Q

A

A

R

K

R

D

V

F

E

N

R

D

H

F

L

I

R

V

E

S

V

F

G

G

L

I

P

S

T

I

R

-

M

-

S

-

E

D

I

F

A

P

G

N

E

D

L

I

P

C

P

Q

A

K

E

E

V

F

L

L

M

-

E

E

A

A

I

M

A

L

Q

L

D

D

K

N

K

K

V

-

K

-

S

-

G

-

K

E

L

L

T

K

F

F

I

I

L

L

T

I

R

E

G

N

I

I

G

G

active site: R123 (= R130), K145 (= K152), E187 (= E195), K228 (= K236), R239 (= R250), N243 (= N254), H246 (= H257), H250 (= H261), H263 (= H276)
binding nicotinamide-adenine-dinucleotide: N45 (≠ D52), L51 (= L58), D73 (≠ A81), E75 (= E83), K78 (= K86), G107 (= G114), G108 (= G115), V109 (= V116), D112 (= D119), T132 (= T139), T133 (≠ S140), L135 (= L142), D139 (= D146), K145 (= K152), F172 (≠ V180), T175 (= T183), L176 (= L184), E180 (= E188)

6hqvA Pentafunctional arom complex from chaetomium thermophilum (see paper)
38% identity, 92% coverage: 23:370/377 of query aligns to 12:385/1555 of 6hqvA

query
sites
6hqvA

D

D

I

I

L

I

I

V

G

D

P

H

G

G

L

I

-

W

I

L

A

N

R

F

A

V

G

A

T

H

E

D

I

L

A

L

S

Q

R

T

L

L

K

P

G

S

R

S

K

T

A

Y

A

V

I

L

I

I

T

T

D
|
D

E

T

N
|
N

V
x
L

A

Y

P

T

L

T

Y

Y

L

V

D

P

A

P

L

F

V

Q

A

A

S

V

L

F

D

E

A

A

G

A

I

P

V

R

S

D

A

V

E

R

V

L

-

T

-

Y

-

A

L

I

P

P

A

P

G

G

E
|
E

K

Y

T

S

K
|
K

S

S

F

R

E

E

H

T

L

K

I

A

T

E

V

I

C

E

D

D

K

W

V

M

L

L

E

S

A

H

R

A

V

C

E

T

R

R

N

D

D

T

C

V

V

I

I

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

L

M

S

I

G

G

F

Y

A

V

A

A

G

A

I

T

V

F

R

M

R
|
R

G

G

V

V

R

R

F

F

V

V

Q

Q

V

V

P

P

T
|
T

S
x
T

L

L

L
|
L

S

A

Q

M

V

V

D
|
D

S
|
S

S

S

V

I

G

G

K
|
K

T

T

G

A

I

I

N

D

S

T

P

P

R

M

H

-

G

G

K
|
K

N

N

L

L

I

I

G

G

V

A

F

F

H

W

Q

Q

P

P

D

R

L

R

V

I

L

Y

A

I

D

D

T

L

D

A

V

F

L

L

N

E

T
|
T

L
|
L

S
x
P

E

V

R

R

E
|
E

F

F

R

I

A

N

G

G

Y

M

A

A

E
|
E

V

V

A

I

K

K

Y

T

G

A

L

A

I

I

D

W

K

N

P

E

D

T

F

E

F

F

T

T

W

A

L

L

E

E

A

E

N

N

W

A

-

A

-

I

-

L

-

E

-

A

-

V

R

R

S

S

V

K

F

A

T

S

G

S

G

P

S

A

A

A

R

R

I

L

E

A

A

P

I

I

-

R

-

H

-

I

-

L

-

K

-

R

-

I

-

V

A

L

A

G

S

S

C

A

Q

R

A

V

K
|
K

A

A

D

E

V

V

V

S

A

A

D

D

E

E

R

R

E
|
E

N

G

G

G

Q

L

R
|
R

A

N

L

L

N
|
N

L

F

G

G

H
|
H

T

S

F

I

G

G

H
|
H

A

A

L

Y

E

E

A

A

A

I

T

L

A

A

Y

-

D

-

S

-

R

P

R

Q

L

V

V

L

H
|
H

G

G

E

E

G

C

V

V

S

A

I

I

G

G

M

M

V

V

L

K

A

E

H

A

E

E

F

L

S

A

A

R

R

Y

M

L

N

G

L

V

A

L

S

R

P

P

D

S

D

A

A

V

R

A

R

R

V

L

E

T

R

K

H

L

L

I

R

A

E

S

V

Y

G

D

L

L

P

P

T

T

-

S

-

V

-

H

-

D

-

K

R

R

M

I

S

A

E

K

I

L

-

S

A

A

G

G

E

K

L

E

P

C

P

P

A

V

E

D

V

V

L

L

M

L

E

Q

A

K

I

M

A

A

Q

V

D

D

K

K

V

N

K

E

S

G

G

R

K

K

L

K

T

K

F

I

I

V

L

L

T

L

R

S

G

A

I

I

G

G

Q

K

S

T

F

Y

-

E

-

K

-

A

-

T

V

V

A

V

D

D

V

R

P

A

A

I

S

R

E

L

V

V

L

L

S

S

active site: R123 (= R130), K145 (= K152), E187 (= E195), K243 (= K236), E253 (= E246), R257 (= R250), N261 (= N254), H264 (= H257), H268 (= H261), H280 (= H276)
binding glutamic acid: D139 (= D146), K145 (= K152), E187 (= E195), K243 (= K236), R257 (= R250), H264 (= H257), H280 (= H276)
binding nicotinamide-adenine-dinucleotide: D42 (= D52), N44 (= N54), L45 (≠ V55), E76 (= E83), K79 (= K86), G107 (= G114), G108 (= G115), V109 (= V116), D112 (= D119), T132 (= T139), T133 (≠ S140), L135 (= L142), D139 (= D146), S140 (= S147), K145 (= K152), K154 (= K162), T175 (= T183), L176 (= L184), P177 (≠ S185), E180 (= E188), H280 (= H276)
binding zinc ion: E187 (= E195), H264 (= H257), H280 (= H276)

Sites not aligning to the query:

binding (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid: 1060, 1062, 1181, 1224, 1232, 1242, 1243
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: 413, 562, 563, 874, 923, 924, 979, 1277, 1279, 1323, 1327, 1348, 1368, 1526

3clhA Crystal structure of 3-dehydroquinate synthase (dhqs)from helicobacter pylori (see paper)
35% identity, 96% coverage: 15:376/377 of query aligns to 3:308/308 of 3clhA

query
sites
3clhA

V

I

P

P

L

L

G

K

E

E

R

K

A

N

Y

Y

D

K

I

V

L

F

I

L

G

G

P

-

G

-

L

-

I

-

A

-

R

-

A

-

G

-

T

-

E

E

I

L

A

P

S

E

R

I

L

K

K

L

G

K

R

Q

K

K

A

A

A

L

I

I

T

S

D

D

E

S

N
x
I

V
|
V

A

A

P

G

L

L

Y
x
H

L

L

D

P

A

Y

L

L

V

L

A

E

S

R

L

L

D

K

A

A

A

L

G

E

I

V

V

R

S

V

A

C

E

-

V

-

V

V

L

I

P

E

A
x
S

G

G

E
|
E

K

K

T

Y

K
|
K

S

N

F

F

E

H

H

S

L

L

I

E

T

R

V

I

C

L

D

N

K

N

V

A

L

F

E

E

A

M

R

Q

V

L

E

N

R

R

N

H

D

S

C

L

V

M

I

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

S

D
|
D

L

M

S

V

G

G

F

F

A

A

A

S

G

S

I

I

V

Y

R

F

R
|
R

G

G

V

I

R

D

F

F

V

I

Q

N

V

I

P

P

T
|
T

S
x
T

L

L

L
|
L

S

A

Q

Q

V

V

D
|
D

S
x
A

S

S

V

V

G

G

K
|
K

T

T

G

G

I

I

N

N

S

T

P

P

R

-

H

Y

G

G

K

K

N
|
N

L

L

I

I

G

G

V

S

F

F

H

H

Q

Q

P

P

D

K

L

A

V

V

L

Y

A

M

D

D

T

L

D

A

V

F

L

L

N

K

T
|
T

L
|
L

S

E

E

K

R

R

E
|
E

F

F

R

Q

A

A

G

G

Y

V

A

A

E
|
E

V

I

A

I

K

K

Y

M

G

A

L

V

I

C

D

F

K

D

P

K

D

N

F

L

F

V

T

E

W

R

L

L

E

E

A

T

-

K

N

D

W

L

R

K

S

D

V

C

F

L

T

E

G

-

S

-

A

-

R

-

I

-

E

E

A

V

I

I

A

F

A

Q

S

S

C

V

Q

N

A

I

K
|
K

A

A

D

Q

V

V

V

-

A

-

D

-

E

-

R

-

E

-

N

-

G

-

Q

-

R
|
R

A

A

L

G

L

L

N
|
N

L

Y

G

G

H
|
H

T

T

F

F

G

G

H
|
H

A

A

L

I

E

E

A

K

A

E

T

T

A

D

Y

Y

D

E

S

-

R

-

R

R

L

F

V

L

H
|
H

G

G

E

E

G

A

V

I