SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_074200387.1 NCBI__GCF_900141795.1:WP_074200387.1 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)

U3KRF2 3-dehydroquinate synthase, chloroplastic; EC 4.2.3.4 from Actinidia chinensis var. chinensis (Chinese soft-hair kiwi) (see paper)
61% identity, 98% coverage: 6:359/361 of query aligns to 86:444/445 of U3KRF2

query
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U3KRF2

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N122 (= N42) binding NAD(+)
DGE 153:155 (= DGE 69:71) binding NAD(+)
K158 (= K74) binding NAD(+)
GGVIGD 186:191 (= GGVIGD 102:107) binding NAD(+)
TT 211:212 (= TT 127:128) binding NAD(+)
K224 (= K140) binding NAD(+)
K233 (= K149) binding NAD(+)
TLNT 251:254 (≠ TLDT 167:170) binding NAD(+)
K308 (= K224) binding NAD(+)

3zokA Structure of 3-dehydroquinate synthase from actinidia chinensis in complex with NAD (see paper)
60% identity, 98% coverage: 6:359/361 of query aligns to 6:364/365 of 3zokA

query
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3zokA

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active site: R122 (= R118), K144 (= K140), E186 (= E182), K228 (= K224), E238 (= E234), R242 (= R238), N246 (= N242), H249 (= H245), H253 (= H249), H266 (= H262)
binding glycine: K144 (= K140), K228 (= K224), R242 (= R238)
binding nicotinamide-adenine-dinucleotide: T44 (= T44), V45 (= V45), D73 (= D69), E75 (= E71), K78 (= K74), G106 (= G102), G107 (= G103), V108 (= V104), D111 (= D107), T131 (= T127), T132 (= T128), M134 (≠ L130), D138 (= D134), S139 (= S135), K144 (= K140), K153 (= K149), T174 (= T170), L175 (= L171), E179 (≠ Q175), H266 (= H262)

Q9KNV2 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
54% identity, 99% coverage: 1:358/361 of query aligns to 1:359/361 of Q9KNV2

query
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Q9KNV2

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N41 (= N42) binding NAD(+)
DGEQYK 70:75 (= DGEQYK 69:74) binding NAD(+)
GVIGD 104:108 (= GVIGD 103:107) binding NAD(+)
TT 128:129 (= TT 127:128) binding NAD(+)
K141 (= K140) binding NAD(+)
KN 150:151 (= KN 149:150) binding NAD(+)
CLTT 168:171 (≠ TLDT 167:170) binding NAD(+)

5eksA Structure of 3-dehydroquinate synthase from acinetobacter baumannii in complex with NAD
56% identity, 97% coverage: 1:350/361 of query aligns to 2:345/355 of 5eksA

query
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5eksA

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K

T

T

G

G

V

I

N

N

H

H

P

P

R

L

G

G

K

K

N

N

M

M

I

L

G

G

A

A

F

F

H

Q

Q

Q

P

P

Q

Q

A

V

V

V

I

L

I

A

D

D

T

M

D

A

T

Q

L

L

D

N

T
|
T

L
|
L

E

P

D

E

R

R

Q
x
E

L

L

S

S

A

A

G

G

L

L

A

A

E
|
E

V

V

I

I

K

K

Y

Y

G

A

L

L

I

L

R

G

D

D

A

E

E

D

F

F

F

L

D

V

Y

W

L

L

E

E

D

E

H

N

L

M

L

D

H

G

L

L

L

V

A

A

R

R

D

D

K

A

D

D

Q

L

L

L

A

A

Y

E

A

A

I

V

E

Y

R

R

S

S

C

C

W

A

N

H

K
|
K

A

A

E

R

V

I

V

V

A

A

A

N

D

D

E

E

R

K

E

E

A

-

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

I

I

E

E

A

S

G

Y

M

L

G

G

Y

Y

G

G

N

T

W

W

L

L

H
|
H

G

G

E

E

A

A

I

V

A

A

A

T

G

G

M

M

M

V

Q

M

A

A

G

A

Y

D

M

L

S

S

K

Q

L

R

M

L

G

G

D

W

L

I

T

S

D

N

D

E

D

D

L

V

R

A

R

R

M

T

A

K

D

K

A

I

F

I

T

Q

T

R

A

A

R

N

L

L

P

P

I

I

Y

S

P

C

P

P

D

-

D

Q

M

I

S

P

P

L

E

D

R

D

F

F

L

L

E

G

L

Y

M

M

A

A

G

H

D

D

K

K

V

V

Q

Q

A

-

G

-

T

-

I

L

R

R

L

L

V

V

L

L

K

K

A

Q

I

L

G

G

K

Q

A

A

Y

V

V

I

T

T

G

K

D

D

Y

F

P

D

Q

V

E

E

L

L

L

M

active site: R120 (= R118), K142 (= K140), E184 (= E182), K226 (= K224), R237 (= R238), N241 (= N242), H244 (= H245), H248 (= H249), H261 (= H262)
binding magnesium ion: E184 (= E182), H244 (= H245), H261 (= H262)
binding nicotinamide-adenine-dinucleotide: N42 (= N42), V45 (= V45), D71 (= D69), E73 (= E71), K76 (= K74), G104 (= G102), G105 (= G103), V106 (= V104), D109 (= D107), T129 (= T127), T130 (= T128), D136 (= D134), S137 (= S135), K142 (= K140), T172 (= T170), L173 (= L171), E177 (≠ Q175)

3okfA 2.5 angstrom resolution crystal structure of 3-dehydroquinate synthase (arob) from vibrio cholerae
54% identity, 99% coverage: 1:358/361 of query aligns to 2:358/360 of 3okfA

query
sites
3okfA

M

M

K

E

T

R

L

I

T

T

V

V

D

N

L

L

G

G

D

E

R

R

S

S

Y

Y

P

P

I

I

H

S

I

I

G

G

Q

A

G

G

L

L

L

F

N

A

Q

N

P

P

E

A

L

L

V

L

R

S

P

L

H

S

V

A

R

K

G

-

T

Q

Q

K

V

V

M

V

I

I

V

V

T

T

N
|
N

T

H

T

T

V

V

A

A

P

P

L
|
L

Y

Y

L

A

D

P

K

A

A

I

R

I

A

S

L

L

F

L

D

D

-

H

-

I

G

G

F

C

E

Q

V

H

A

A

D

L

V

L

V

E

L

L

P

P

D
|
D

G

G

E
|
E

Q

Q

Y

Y

K
|
K

N

T

L

L

D

E

T

T

L

F

K

N

L

T

I

V

F

M

D

S

A

F

L

L

I

L

E

E

K

H

R

N

F

Y

D

S

R

R

K

D

C

V

T

V

L

V

V

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

I

L

T

V

G

G

F

F

A

A

S

C

Y

Y

Q

Q

R
|
R

G

G

V

V

N

D

F

F

I

I

Q

Q

I

I

P

P

T
|
T

L

L

L
|
L

A

S

Q

Q

V

V

D
|
D

S

S

V

V

G

G

K
|
K

T

T

G

A

V

V

N

N

H

H

P

P

R

L

G

G

K

K

N

N

M

M

I

I

G

G

A

A

F

F

H

Y

Q

Q

P

P

Q

K

A

A

V

V

I

V

I

I

D

D

T

T

D

D

T

C

L

L

D

T

T
|
T

L
|
L

E

P

D

A

R

R

Q
x
E

L

F

S

A

A

A

G

G

L

M

A

A

E
|
E

V

V

I

I

K

K

Y

Y

G

G

L

I

I

I

R

Y

D

D

A

S

E

A

F

F

D

D

Y

W

L

L

E

E

D

A

H

Q

L

M

L

E

H

A

L

L

L

Y

A

A

R

L

D

D

K

E

D

Q

Q

A

L

L

A

T

Y

Y

A

A

I

I

E

A

R

R

S

C

C

C

W

Q

N

I

K
|
K

A

A

E

E

V

V

A

A

A

Q

D

D

E

E

R

K

E

-

A

-

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

I

I

E

E

A

A

G

H

M

M

G

G

Y

Y

G

G

N

N

W

W

L

L

H
|
H

G

G

E

E

A

A

I

V

A

S

A

A

G

G

M

T

M

V

Q

M

A

A

G

A

Y

K

M

T

S

A

K

Q

L

L

M

Q

G

G

D

L

L

I

T

D

D

A

D

S

D

Q

L

F

R

E

R

R

M

I

A

L

D

A

A

I

F

L

T

K

A

A

R

H

L

L

P

P

I

V

Y

R

P

T

P

P

D

E

D

N

M

M

S

T

P

F

E

A

R

D

F

F

L

M

E

Q

L

H

M

M

A

M

G

R

D

D

K

K

V

V

Q

L

A

A

G

G

T

E

I

L

R

R

L

L

V

V

L

L

L

P

K

T

A

S

I

I

G

G

K

T

A

S

Y

A

V

V

T

V

G

K

D

G

Y

V

P

P

Q

E

E

A

L

V

L

I

L

A

R

Q

T

A

L

I

Q

E

E

Y

W

C

R

R

active site: R120 (= R118), K142 (= K140), E184 (= E182), K226 (= K224), R238 (= R238), N242 (= N242), H245 (= H245), H249 (= H249), H262 (= H262)
binding nicotinamide-adenine-dinucleotide: N42 (= N42), L48 (= L48), D71 (= D69), E73 (= E71), K76 (= K74), G104 (= G102), G105 (= G103), V106 (= V104), D109 (= D107), T129 (= T127), T130 (= T128), L132 (= L130), D136 (= D134), T172 (= T170), L173 (= L171), E177 (≠ Q175)

6llaB Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+ and NAD (see paper)
56% identity, 95% coverage: 1:344/361 of query aligns to 2:348/363 of 6llaB

query
sites
6llaB

M

M

K

E

T

K

L

V

T

T

V

V

D

T

L

L

G

D

D

E

R

R

S

S

Y

Y

P

P

I

I

H

N

I

I

G

A

Q

P

G

S

L

L

L

Y

N

Q

Q

Q

P

Q

E

D

L

A

V

F

R

W

P

P

H

L

V

T

R

A

G

G

T

Q

Q

R

V

A

M

M

I

I

V

V

T

T

N

N

T

E

T

T

V
x
L

A

A

P

P

L

L

Y

Y

L

L

D

H

K

K

A

I

R

Q

A

T

L

V

F

L

D

E

-

V

-

S

G

G

F

V

E

K

V

V

A

D

D

S

V

I

L

L

P

P

D
|
D

G

G

E
|
E

Q

Q

Y

Y

K
|
K

N

S

L

L

D

F

T

I

L

M

K

N

L

D

I

V

F

F

D

T

A

A

L

L

I

L

E

E

K

K

R

H

F

H

D

N

R

R

K

D

C

T

T

T

L

L

V

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

I

L

T

T

G

G

F

F

A

A

S

S

Y

Y

Q

Q

R
|
R

G

G

V

V

N

R

F

F

I

I

Q

Q

I

V

P

P

T
|
T

L

L

L
|
L

A

S

Q

Q

V

V

D
|
D

S

S

V

V

G

G

K
|
K

T

T

G

A

V

V

N

N

H

H

P

P

R

L

G

G

K

K

N

N

M

M

I

I

G

G

A

A

F

F

H

Y

Q

Q

P

P

Q

A

A

S

V

V

I

V

I

I

D

D

T

L

D

D

T

C

L

L

D

K

T
|
T

L
|
L

E

P

D

K

R

R

Q
x
E

L

L

S

S

A

S

G

G

L

L

A

A

E
|
E

V

V

I

I

K

K

Y

Y

G

G

L

I

I

I

R

L

D

D

A

G

E

E

F

F

D

S

Y

W

L

L

E

E

D

E

H

N

L

I

L

D

H

A

L

L

L

M

A

A

R

L

D

D

K

N

D

Q

Q

A

L

M

A

A

Y

Y

A

C

I

I

E

R

R

R

S

C

C

C

W

E

N

L

K
|
K

A

A

E

Q

V

V

A

A

D

D

E

E

R

K

E
|
E

-

T

A

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

I

I

E

E

A

A

G

E

M

M

G

G

Y

Y

G

G

N

V

W

W

L

L

H
|
H

G

G

E

E

A

A

I

V

A

A

G

G

M

M

M

V

Q

M

A

A

G

A

Y

K

M

T

S

A

K

E

L

L

M

I

G

G

D

Q

L

F

T

T

D

P

D

E

D

Q

L

T

R

D

R

R

M

V

A

I

D

A

A

L

F

L

T

K

T

R

A

A

R

E

L

L

P

P

I

V

Y

T

P

G

P

P

D

A

D

K

M

M

S

Q

P

P

E

D

R

D

F

Y

L

L

E

P

L

H

M

M

A

M

G

R

D

D

K

K

V

V

Q

M

A

G

G

G

T

K

I

L

R

H

L

L

V

I

L

L

L

P

K

T

A

T

I

I

G

G

K

H

A

S

Y

E

V

M

T

R

G

S

D

D

active site: R121 (= R118), K143 (= K140), E185 (= E182), K227 (= K224), E237 (= E234), R242 (= R238), N246 (= N242), H249 (= H245), H253 (= H249), H266 (= H262)
binding magnesium ion: E185 (= E182), H249 (= H245), H266 (= H262)
binding nicotinamide-adenine-dinucleotide: L46 (≠ V45), D72 (= D69), E74 (= E71), K77 (= K74), G105 (= G102), G106 (= G103), V107 (= V104), D110 (= D107), T130 (= T127), T131 (= T128), L133 (= L130), D137 (= D134), K143 (= K140), T173 (= T170), L174 (= L171), E178 (≠ Q175)

6lk2A Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+, NAD and chlorogenic acid (see paper)
56% identity, 95% coverage: 1:344/361 of query aligns to 2:344/357 of 6lk2A

query
sites
6lk2A

M

M

K

E

T

K

L

V

T

T

V

V

D

T

L

L

G

D

D

E

R

R

S

S

Y

Y

P

P

I

I

H

N

I

I

G

A

Q

P

G

S

L

L

L

Y

N

Q

Q

Q

P

Q

E

D

L

A

V

F

R

W

P

P

H

L

V

T

R

A

G

G

T

Q

Q

R

V

A

M

M

I

I

V

V

T

T

N

N

T

E

T

T

V
x
L

A

A

P

P

L

L

Y

Y

L

L

D

H

K

K

A

I

R

Q

A

T

L

V

F

L

D

E

-

V

-

S

G

G

F

V

E

K

V

V

A

D

D

S

V

I

L

L

P

P

D
|
D

G

G

E
|
E

Q

Q

Y

Y

K
|
K

N

S

L

L

D

F

T

I

L

M

K

N

L

D

I

V

F

F

D

T

A

A

L

L

I

L

E

E

K

K

R

H

F

H

D

N

R

R

K

D

C

T

T

T

L

L

V

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

I

L

T

T

G

G

F

F

A

A

S

S

Y

Y

Q

Q

R
|
R

G

G

V

V

N

R

F

F

I

I

Q

Q

I

V

P

P

T
|
T

L

L

L
|
L

A

S

Q

Q

V

V

D
|
D

S
|
S

S

S

V

V

G

G

K
|
K

T

T

G

A

V

V

N

N

H

H

P

P

R

L

G

G

K

K

N

N

M

M

I

I

G

G

A

A

F

F

H

Y

Q

Q

P

P

Q

A

A

S

V

V

I

V

I

I

D

D

T

L

D

D

T
x
C

L

L

D

K

T
|
T

L
|
L

E
x
P

D

K

R

R

Q
x
E

L

L

S

S

A

S

G

G

L

L

A

A

E
|
E

V

V

I

I

K

K

Y

Y

G

G

L

I

I

I

R

L

D

D

A

G

E

E

F

F

D

S

Y

W

L

L

E

E

D

E

H

N

L

I

L

D

H

A

L

L

L

M

A

A

R

L

D

D

K

N

D

Q

Q

A

L

M

A

A

Y

Y

A

C

I

I

E

R

R

R

S

C

C

C

W

E

N

L

K
|
K

A

A

E

Q

V

V

A

A

D

D

E

E

R

-

E

-

A

-

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

I

I

E

E

A

A

G

E

M

M

G

G

Y

Y

G

G

N

V

W

W

L

L

H
|
H

G

G

E

E

A

A

I

V

A

A

G

G

M

M

M

V

Q

M

A

A

G

A

Y

K

M

T

S

A

K

E

L

L

M

I

G

G

D

Q

L

F

T

T

D

P

D

E

D

Q

L

T

R

D

R

R

M

V

A

I

D

A

A

L

F

L

T

K

T

R

A

A

R

E

L

L

P

P

I

V

Y

T

P

G

P

P

D

A

D

K

M

M

S

Q

P

P

E

D

R

D

F

Y

L

L

E

P

L

H

M

M

A

M

G

R

D

D

K

K

V

V

Q

M

A

G

G

G

T

K

I

L

R

H

L

L

V

I

L

L

L

P

K

T

A

T

I

I

G

G

K

H

A

S

Y

E

V

M

T

R

G

S

D

D

active site: R121 (= R118), K143 (= K140), E185 (= E182), K227 (= K224), R238 (= R238), N242 (= N242), H245 (= H245), H249 (= H249), H262 (= H262)
binding (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid: D137 (= D134), E185 (= E182), K227 (= K224), R238 (= R238), N242 (= N242), H245 (= H245), T246 (= T246), H249 (= H249), H262 (= H262)
binding magnesium ion: E185 (= E182), H245 (= H245), H262 (= H262)
binding nicotinamide-adenine-dinucleotide: L46 (≠ V45), D72 (= D69), E74 (= E71), K77 (= K74), G105 (= G102), G106 (= G103), V107 (= V104), D110 (= D107), T130 (= T127), T131 (= T128), L133 (= L130), D137 (= D134), S138 (= S135), C170 (≠ T167), T173 (= T170), L174 (= L171), P175 (≠ E172), E178 (≠ Q175)

Q5NFS1 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
48% identity, 89% coverage: 28:349/361 of query aligns to 28:351/359 of Q5NFS1

query
sites
Q5NFS1

V

I

R

L

P

E

H

Y

V

V

R

T

G

N

T

K

Q

Q

V

V

M

L

I

V

V

V

T

T

N
|
N

T

T

V

V

A

A

P

K

L

L

Y

Y

L

L

D

T

K

K

-

F

A

L

R

A

A

A

L

L

F

V

D

D

G

D

F

L

E

D

V

V

A

R

D

T

V

C

V

I

L

L

P

E

D
|
D

G
|
G

E
|
E

Q
|
Q

Y
|
Y

K
|
K

N

S

L

Q

D

Q

T

S

L

L

K

D

L

K

I

I

F

L

D

S

A

T

L

L

I

L

E

E

K

N

R

H

F

F

D

T

R

R

K

N

C

S

T

T

-

V

L

L

V

V

A

A

L

L

G

G

G
|
G

V
|
V

I
|
I

G
|
G

D
|
D

I

I

T

T

G

G

F

F

A

A

S

I

Y

Y

Q

Q

R

R

G

G

V

I

N

D

F

F

I

I

Q

Q

I

I

P

P

T
|
T

L

L

A

S

Q

Q

V

V

D

D

S

S

V

V

G

G

K
|
K

T

T

G

A

V

I

N

N

H

H

P

Q

R

L

G

G

K

K

N

N

M

M

I

I

G

G

A

A

F

F

H

Y

Q

Q

P

P

Q

K

A

V

V

V

I

Y

I

T

D

S

T

I

D

E

T
x
F

L
x
Y

D
x
K

T
|
T

L

L

E

P

D

Q

R

R

Q

E

L

Y

S

I

A

A

G

G

L

M

A

A

E

E

V

V

I

V

K

K

Y

Y

G

A

L

F

I

I

R

-

D

S

A

K

E

D

F

F

F

Y

D

L

Y

W

L

L

E

D

D

S

H

N

L

R

L

D

H

K

L

I

L

L

A

A

R

K

D

D

K

S

D

V

Q

T

L

L

A

I

Y

E

A

M

I

V

E

K

R

R

S

S

C

C

W

Q

N

I

K

K

A

A

E

Q

V

V

A

A

A

M

D

D

E

E

R

K

E

E

-

L

A

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

I

I

E

E

A

K

G

C

M

Q

G

N

Y

Y

G

R

N

G

W

L

L

K

H

H

G

G

E

E

A

A

I

V

A

G

A

V

G

G

M

M

M

A

Q

Q

A

A

G

I

Y

D

M

F

S

S

K

H

L

Y

M

L

G

G

D

L

L

I

T

S

D

Q

L

A

R

K

R

D

M

F

A

N

D

D

A

F

F

I

T

V

T

S

A

F

R

G

L

I

P

S

I

I

Y

D

P

F

P

P

D

N

D

D

M

I

S

C

P

Q

E

K

R

E

F

F

L

L

E

E

L

A

M

M

A

L

G

L

D

D

K

K

V

N

Q

S

A

N

G

K

T

E

I

L

R

K

L

F

V

I

L

L

L

I

K

E

A

N

I

I

G

G

K

S

A

L

Y

S

V

L

T

Q

G

K

D

Q

Y

S

P

K

Q

N

E

E

L

L

N42 (= N42) binding NAD(+)
DGEQYK 70:75 (= DGEQYK 69:74) binding NAD(+)
GVIGD 105:109 (= GVIGD 103:107) binding NAD(+)
TT 129:130 (= TT 127:128) binding NAD(+)
K142 (= K140) binding NAD(+)
FYKT 169:172 (≠ TLDT 167:170) binding NAD(+)

5hvnA 3.0 angstrom crystal structure of 3-dehydroquinate synthase (arob) from francisella tularensis in complex with NAD.
47% identity, 89% coverage: 28:349/361 of query aligns to 31:346/354 of 5hvnA

query
sites
5hvnA

V

I

R

L

P

E

H

Y

V

V

R

T

G

N

T

K

Q

Q

V

V

M

L

I

V

V

V

T

T

N
|
N

T

T

V

V

A

A

P

K

L
|
L

Y

Y

L

L

D

T

K

K

-

F

A

L

R

A

A

A

L

L

F

V

D

D

G

D

F

L

E

D

V

V

A

R

D

T

V

C

V

I

L

L

P

E

D
|
D

G

G

E
|
E

Q

Q

Y

Y

K
|
K

N

S

L

Q

D

Q

T

S

L

L

K

D

L

K

I

I

F

L

D

S

A

T

L

L

I

L

E

E

K

N

R

H

F

F

D

T

R

R

K

N

C

S

T

T

-

V

L

L

V

V

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

I

I

T

T

G

G

F

F

A

A

S

I

Y

Y

Q

Q

R
|
R

G

G

V

I

N

D

F

F

I

I

Q

Q

I

I

P

P

T
|
T

L

L

L
|
L

A

S

Q

Q

V

V

D
|
D

S

S

V

V

G

G

K
|
K

T

T

G

A

V

I

N

N

H

H

P

Q

R

L

G

G

K

K

N

N

M

M

I

I

G

G

A

A

F

F

H

Y

Q

Q

P

P

Q

K

A

V

V

V

I

Y

I

T

D

S

T

I

D

E

T
x
F

L

Y

D

K

T
|
T

L
|
L

E

P

D

Q

R

R

Q
x
E

L

Y

S

I

A

A

G

G

L

M

A

A

E
|
E

V

V

I

V

K

K

Y

Y

G

A

L

F

I

I

R

-

D

S

A

K

E

D

F

F

F

Y

D

L

Y

W

L

L

E

D

D

S

H

N

L

R

L

D

H

K

L

I

L

L

A

A

R

K

D

D

K

S

D

V

Q

T

L

L

A

I

Y

E

A

M

I

V

E

K

R

R

S

S

C

C

W

Q

N

I

K
|
K

A

A

E

Q

V

V

A

A

A

M

D

D

E

-

R

-

E

-

A

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

I

I

E

E

A

K

G

C

M

Q

G

N

Y

Y

G

R

N

G

W

L

L

K

H
|
H

G

G

E

E

A

A

I

V

A

G

A

V

G

G

M

M

M

A

Q

Q

A

A

G

I

Y

D

M

F

S

S

K

H

L

Y

M

L

G

G

D

L

L

I

T

S

D

Q

L

A

R

K

R

D

M

F

A

N

D

D

A

F

F

I

T

V

T

S

A

F

R

G

L

I

P

S

I

I

Y

D

P

F

P

P

D

N

D

D

M

I

S

C

P

Q

E

K

R

E

F

F

L

L

E

E

L

A

M

M

A

L

G

L

D

D

K

N

K

K

V

-

Q

-

A

-

G

-

T

E

I

L

R

K

L

F

V

I

L

L

L

I

K

E

A

N

I

I

G

G

K

S

A

L

Y

S

V

L

T

Q

G

K

D

Q

Y

S

P

K

Q

N

E

E

L

L

active site: R123 (= R118), K145 (= K140), E187 (= E182), K228 (= K224), R239 (= R238), N243 (= N242), H246 (= H245), H250 (= H249), H263 (= H262)
binding nicotinamide-adenine-dinucleotide: N45 (= N42), L51 (= L48), D73 (= D69), E75 (= E71), K78 (= K74), G107 (= G102), G108 (= G103), V109 (= V104), D112 (= D107), T132 (= T127), T133 (= T128), L135 (= L130), D139 (= D134), K145 (= K140), F172 (≠ T167), T175 (= T170), L176 (= L171), E180 (≠ Q175)

P56081 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
40% identity, 99% coverage: 1:357/361 of query aligns to 1:342/343 of P56081

query
sites
P56081

M

M

K

Q

T

E

L

I

T

L

V

I

D

P

L

L

G

K

D

E

R

K

S

N

Y

Y

P

K

I

V

H

F

I

L

G

G

Q

E

G

-

L

-

N

-

Q

-

P

-

E

-

L

-

V

-

R

L

P

P

H

E

V

I

R

K

G

L

T

K

Q

Q

-

K

V

A

M

L

I

I

V

I

T

S

N

D

T

S

T

I

V

V

A

A

P

G

L

L

Y

H

L

L

D

P

K

Y

A

L

R

L

A

E

L

R

F

L

D

K

G

A

F

L

E

E

V

V

A

R

D

V

V

C

V

V

L

I

P

E

D
x
S

G
|
G

E
|
E

Q
x
K

Y
|
Y

K
|
K

N

N

L

F

D

H

T

S

L

L

K

E

L

R

I

I

F

L

D

N

A

N

L

A

I

F

E

E

K

M

R

Q

F

L

D

N

R

R

K

H

C

S

T

L

L

M

V

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

S

D

D

I

M

T

V

G

G

F

F

A

A

A

S

S

I

Y

Y

Q

F

R

R

G

G

V

I

N

D

F

F

I

I

Q

N

I

I

P

P

T
|
T

L

L

A

A

Q

Q

V

V

D

D

S

A

S

S

V

V

G

G

K

K

T

T

G

G

V

I

N

N

H

T

P

P

R

Y

G

G

K

K

N
|
N

M

L

I

I

G

G

A

S

F

F

H

H

Q

Q

P

P

Q

K

A

A

V

V

I

Y

I

M

D

D

T

L

D

A

T
x
F

L
|
L

D
x
K

T
|
T

L

L

E

E

D

K

R

R

Q

E

L

F

S

Q

A

A

G

G

L

V

A

A

E

E

V

I

I

I

K

K

Y

M

G

A

L

V

I

C

R

F

D

D

A

K

E

N

F

L

F

V

D

E

Y

R

L

L

E

E

D

T

H

K

L

D

L

L

H

-

L

-

A

-

R

-

D

-

K

K

D

D

Q

C

L

L

A

E

Y

E

A

V

I

I

E

F

R

Q

S

S

C

V

W

N

N

I

K

K

A

A

E

Q

V

V

A

V

A

Q

D

D

E

E

R

K

E

E

A

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

I

I

E

E

A

K

G

E

M

T

G

D

Y

Y

G

E

N

R

W

F

L

L

H

H

G

G

E

E

A

A

I

I

A

A

A

I

G

G

M

M

M

R

Q

M

A

A

G

N

Y

D

M

L

S

A

K

L

L

S

M

L

G

G

D

M

L

L

T

T

D

L

D

K

D

E

L

Y

R

E

R

R

M

I

A

E

D

N

A

L

F

L

T

K

A

F

R

D

L

L

P

-

I

I

Y

F

P

H

P

Y

D

K

D

I

M

L

S

D

P

L

E

Q

R

K

F

F

L

Y

E

E

L

R

M

L

A

F

G

L

D

D

K

K

V

S

Q

E

A

N

G

K

T

T

I

I

R

K

L

F

V

I

L

L

L

P

K

K

A

G

I

V

G

G

K

A

A

F

Y

E

V

V

T

A

G

S

D

H

Y

I

P

P

Q

K

E

E

L

T

L

I

R

K

T

V

L

L

Q

E

E

K

W

W

SGEKYK 61:66 (≠ DGEQYK 69:74) binding NAD(+)
GV 95:96 (= GV 103:104) binding NAD(+)
TT 119:120 (= TT 127:128) binding NAD(+)
N142 (= N150) binding NAD(+)
FLKT 159:162 (≠ TLDT 167:170) binding NAD(+)

P9WPX9 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
43% identity, 78% coverage: 59:338/361 of query aligns to 63:340/362 of P9WPX9

query
sites
P9WPX9

G

G

F

V

E

D

V

A

A

H

D

R

V

I

V

E

L

I

P

P

D
|
D

G
x
A

E
|
E

Q
x
A

Y
x
G

K
|
K

N

D

L

L

D

P

T

V

L

V

K

G

L

F

I

I

F

W

D

E

A

V

L

L

I

G

E

R

K

I

R

G

F

I

D

G

R

R

K

K

C

D

T

A

L

L

V

V

A

S

L

L

G

G

G
|
G

V
x
A

I
x
A

G
x
T

D
|
D

I

V

T

A

G

G

F

F

A

A

S

T

Y

W

Q

L

R

R

G

G

V

V

N

S

F

I

I

V

Q

H

I

L

P

P

T
|
T

L

L

A

G

Q

M

V

V

D

D

S

A

V

V

G

G

K
|
K

T

T

G

G

V

I

N

N

H

T

P

D

R

A

G

G

K

K

N

N

M

L

I

V

G

G

A

A

F

F

H

H

Q

Q

P

P

Q

L

A

A

V

V

I

L

I

V

D

D

T

L

D

A

T
|
T

L
|
L

D
x
Q

T
|
T

L

L

E

P

D

R

R

D

Q

E

L

M

S

I

A

C

G

G

L

M

A

A

E

E

V

V

I

V

K

K

Y

A

G

G

L

F

I

I

R

A

D

D

A

P

E

V

F

I

F

L

D

D

Y

L

L

I

E

E

D

A

H

D

L

P

L

Q

H

A

L

A

L

L

A

D

R

P

D

A

K

G

D

D

Q

V

L

L

A

P

Y

E

A

L

I

I

E

R

R

R

S

A

C

I

W

T

N

V

K

K

A

A

E

E

V

V

A

A

D

D

E

E

R

K

E

E

A

S

G

E

Q

L

R

R

A

E

L

I

L

L

N

N

L

Y

G

G

H

H

T

T

F

L

G

G

H

H

A

A

I

I

E

E

A

R

G

R

M

E

G

R

Y

Y

G

-

N

R

W

W

L

R

H

H

G

G

E

A

A

A

I

V

A

S

A

V

G

G

M

L

M

V

Q

F

A

A

G

A

Y

E

M

L

S

A

K

R

L

L

M

A

G

G

D

R

L

L

T

D

D

D

D

A

D

T

L

A

R

Q

R

R

M

H

A

R

D

T

A

I

F

L

T

S

A

L

R

G

L

L

P

P

I

V

-

S

Y

Y

P

D

P

P

D

D

D

A

M

L

S

P

P

-

E

-

R

Q

F

L

L

L

E

E

L

I

M

M

A

A

G

G

D

D

K

K

V

T

Q

R

A

A

G

G

T

V

I

L

R

R

L

F

V

V

L

V

L

L

K

D

A

G

I

L

G

A

K

K

DAEAGK 73:78 (≠ DGEQYK 69:74) binding NAD(+)
GAATD 107:111 (≠ GVIGD 103:107) binding NAD(+)
TT 131:132 (= TT 127:128) binding NAD(+)
K144 (= K140) binding NAD(+)
TLQT 171:174 (≠ TLDT 167:170) binding NAD(+)

Sites not aligning to the query:

45 binding NAD(+)

3clhA Crystal structure of 3-dehydroquinate synthase (dhqs)from helicobacter pylori (see paper)
37% identity, 98% coverage: 4:358/361 of query aligns to 1:308/308 of 3clhA

query
sites
3clhA

L

I

T

L

V

I

D

P

L

L

G

K

D

E

R

K

S

N

Y

Y

P

K

I

V

H

F

I

L

G

G

Q

E

G

-

L

-

N

-

Q

-

P

-

E

-

L

-

V

-

R

L

P

P

H

E

V

I

R

K

G

L

T

K

Q

Q

-

K

V

A

M

L

I

I

V

I

T

S

N

D

T

S

T
x
I

V
|
V

A

A

P

G

L

L

Y
x
H

L

L

D

P

K

Y

A

L

R

L

A

E

L

R

F

L

D

K

G

A

F

L

E

E

V

V

A

R

D

V

V

C

V

V

L

I

P

E

D
x
S

G

G

E
|
E

Q

K

Y

Y

K
|
K

N

N

L

F

D

H

T

S

L

L

K

E

L

R

I

I

F

L

D

N

A

N

L

A

I

F

E

E

K

M

R

Q

F

L

D

N

R

R

K

H

C

S

T

L

L

M

V

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

S

D
|
D

I

M

T

V

G

G

F

F

A

A

A

S

S

I

Y

Y

Q

F

R
|
R

G

G

V

I

N

D

F

F

I

I

Q

N

I

I

P

P

T
|
T

L

L

L
|
L

A

A

Q

Q

V

V

D
|
D

S
x
A

S

S

V

V

G

G

K
|
K

T

T

G

G

V

I

N

N

H

T

P

P

R

Y

G

G

K

K

N
|
N

M

L

I

I

G

G

A

S

F

F

H

H

Q

Q

P

P

Q

K

A

A

V

V

I

Y

I

M

D

D

T

L

D

A

T

F

L

L

D

K

T
|
T

L
|
L

E

E

D

K

R

R

Q
x
E

L

F

S

Q

A

A

G

G

L

V

A

A

E
|
E

V

I

I

I

K

K

Y

M

G

A

L

V

I

C

R

F

D

D

A

K

E

N

F

L

F

V

D

E

Y

R

L

L

E

E

D

T

H

K

L

D

L

L

H

-

L

-

A

-

R

-

D

-

K

K

D

D

Q

C

L

L

A

E

Y

E

A

V

I

I

E

F

R

Q

S

S

C

V

W

N

N

I

K
|
K

A

A

E

Q

V

V

A

-

D

-

E

-

R

-

E

-

A

-

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

I

I

E

E

A

K

G

E

M

T

G

D

Y

Y

G

E

N

R

W

F

L

L

H
|
H

G

G

E

E

A

A

I

I

A

A

A

I

G

G

M

M

M

R

Q

M

A

A

G

N

Y

D

M

L

S

A

K

L

L

S

M

L

G

G

D

M

L

L

T

T

D

L

D

K

D

E

L

Y

R

E

R

R

M

I

A

E

D

N

A

L

F

L

T

K

A

F

R

D

L

L

P

I

I

F

Y

H

P

-

D

-

M

-

S

-

P

-

E

-

R

-

F

-

L

-

E

-

L

-

M

-

A

-

G

-

D

-

K

-

V

-

Q

-

A

-

G

-

T

-

I

Y

R

K

L

F

V

I

L

L

L

P

K

K

A

G

I

V

G

G

K

A

A

F

Y

E

V

V

T

A

G

S

D

H

Y

I

P

P

Q

K

E

E

L

T

L

I

R

K

T

V

L

L

Q

E

E

K

W

W

R

H

active site: R107 (= R118), K129 (= K140), E171 (= E182), K207 (= K224), R212 (= R238), N216 (= N242), H219 (= H245), H223 (= H249), H236 (= H262)
binding nicotinamide-adenine-dinucleotide: I33 (≠ T44), V34 (= V45), H38 (≠ Y49), S58 (≠ D69), E60 (= E71), K63 (= K74), G91 (= G102), G92 (= G103), V93 (= V104), D96 (= D107), T116 (= T127), T117 (= T128), L119 (= L130), D123 (= D134), A124 (≠ S135), K129 (= K140), N139 (= N150), T159 (= T170), L160 (= L171), E164 (≠ Q175)

3qbeA Crystal structure of the 3-dehydroquinate synthase (arob) from mycobacterium tuberculosis
43% identity, 78% coverage: 59:338/361 of query aligns to 58:331/352 of 3qbeA

query
sites
3qbeA

G

G

F

V

E

D

V

A

A

H

D

R

V

I

V

E

L

I

P

P

D

D

G

A

E

E

Q

A

Y

G

K

K

N

D

L

L

D

P

T

V

L

V

K

G

L

F

I

I

F

W

D

E

A

V

L

L

I

G

E

R

K

I

R

G

F

I

D

G

R

R

K

K

C

D

T

A

L

L

V

V

A

S

L

L

G

G

V

A

I

A

G

T

D

D

I

V

T

A

G

G

F

F

A

A

S

T

Y

W

Q

L

R
|
R

G

G

V

V

N

S

F

I

I

V

Q

H

I

L

P

P

T

T

L

L

A

G

Q

M

V

V

D

D

S

A

V

V

G

G

K
|
K