SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Pf6N2E2_3754 FitnessBrowser__pseudo6_N2E2:Pf6N2E2_3754 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)
62% identity, 96% coverage: 4:356/366 of query aligns to 84:441/445 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 (= TLNT 167:170) binding NAD(+)
K308 (= K224) binding NAD(+)

3zokA Structure of 3-dehydroquinate synthase from actinidia chinensis in complex with NAD (see paper)
62% identity, 96% coverage: 4:356/366 of query aligns to 4:361/365 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 (= E175), H266 (= H262)

5eksA Structure of 3-dehydroquinate synthase from acinetobacter baumannii in complex with NAD
61% identity, 98% coverage: 1:357/366 of query aligns to 2:352/355 of 5eksA

query
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5eksA

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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 (= E175)

Q9KNV2 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
58% identity, 96% coverage: 1:350/366 of query aligns to 1:351/361 of Q9KNV2

query
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Q9KNV2

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D

D

S

S

V

V

G

G

K
|
K

T

T

G

A

I

V

N

N

H

H

P

P

L

L

G

G

K
|
K

N
|
N

M

M

V

I

G

G

A

A

F

F

Y

Y

Q

Q

P

P

N

K

V

A

V

V

L

V

I

I

D

D

T

T

A

D

T
x
C

L
|
L

N
x
T

T
|
T

L

L

P

P

A

A

R

R

E

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

C

Y

D

D

E

S

P

A

F

F

L

F

G

D

W

W

L

L

E

E

E

A

N

Q

V

M

D

E

R

A

L

L

R

Y

A

A

L

L

D

D

Q

E

A

Q

A

A

L

L

T

T

Y

Y

A

A

I

I

E

A

R

R

S

C

C

C

A

Q

A

I

K

K

A

A

A

E

V

V

G

A

A

Q

D

D

E

E

R

K

E

E

S

S

G

G

V

I

R

R

A

A

T

L

L

L

N

N

L

L

G

G

H

H

T

T

F

F

G

G

H

H

A

A

I

I

E

E

T

A

H

H

M

M

G

G

Y

Y

G

G

V

N

W

W

L

L

H

H

G

G

E

E

A

A

V

V

A

S

A

A

G

G

T

T

V

V

M

M

A

A

L

A

E

K

M

T

S

A

A

Q

R

L

L

Q

G

G

W

L

I

I

S

D

E

A

Q

S

E

Q

R

F

D

E

R

R

G

I

I

L

R

A

L

I

F

L

Q

K

R

K

A

A

G

H

L

L

P

P

V

V

V

R

P

T

P

P

E

E

E

N

M

M

T

T

E

F

A

A

D

D

F

F

L

M

E

Q

H

H

M

M

A

M

I

R

D

D

K

K

V

V

I

L

D

A

G

G

R

E

L

L

R

R

L

L

V

V

L

L

L

P

R

T

H

S

M

I

G

G

E

T

A

S

V

A

V

V

T

V

D

K

D

G

Y

V

P

P

K

E

E

A

V

V

L

I

N41 (= N42) binding NAD(+)
DGEQYK 70:75 (≠ DGEAFK 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 (≠ TLNT 167:170) binding NAD(+)

3okfA 2.5 angstrom resolution crystal structure of 3-dehydroquinate synthase (arob) from vibrio cholerae
57% identity, 96% coverage: 1:350/366 of query aligns to 2:350/360 of 3okfA

query
sites
3okfA

M

M

Q

E

T

R

L

I

K

T

V

V

D

N

L

L

G

G

E

E

R

R

S

S

Y

Y

P

P

I

I

H

S

I

I

G

G

E

A

G

G

L

L

L

F

D

A

Q

N

P

P

E

A

L

L

A

S

P

L

H

S

I

-

A

A

G

K

R

Q

Q

K

V

V

A

V

I

I

I

V

S

T

N
|
N

E

H

T

T

V

V

A

A

P

P

L
|
L

Y

Y

L

A

E

P

R

A

L

I

T

I

R

S

S

L

L

L

S

D

A

H

F

I

S

G

V

C

I

Q

S

H

V

A

V

L

L

L

-

E

-

L

P

P

D
|
D

G

G

E
|
E

A

Q

F

Y

K
|
K

N

T

W

L

E

E

T

T

L

F

Q

N

L

T

I

V

F

M

D

S

G

F

L

L

T

E

A

H

R

N

H

Y

D

S

R

R

R

D

T

V

V

V

L

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

M

L

A

V

G

G

F

F

A

A

C

C

Y

Y

Q

Q

R
|
R

G

G

V

V

D

D

F

F

I

I

Q

Q

I

I

P

P

T
|
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

H

H

P

P

L

L

G

G

K

K

N

N

M

M

V

I

G

G

A

A

F

F

Y

Y

Q

Q

P

P

N

K

V

A

V

V

L

V

I

I

D

D

T

T

A

D

T

C

L

L

N

T

T
|
T

L
|
L

P

P

A

A

R

R

E
|
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

C

Y

D

D

E

S

P

A

F

F

L

F

G

D

W

W

L

L

E

E

E

A

N

Q

V

M

D

E

R

A

L

L

R

Y

A

A

L

L

D

D

Q

E

A

Q

A

A

L

L

T

T

Y

Y

A

A

I

I

E

A

R

R

S

C

C

C

A

Q

A

I

K
|
K

A

A

A

E

V

V

G

A

A

Q

D

D

E

E

R

K

E

-

S

-

G

G

V

I

R
|
R

A

A

T

L

L

L

N
|
N

L

L

G

G

H
|
H

T

T

F

F

G

G

H
|
H

A

A

I

I

E

E

T

A

H

H

M

M

G

G

Y

Y

G

G

V

N

W

W

L

L

H
|
H

G

G

E

E

A

A

V

V

A

S

A

A

G

G

T

T

V

V

M

M

A

A

L

A

E

K

M

T

S

A

A

Q

R

L

L

Q

G

G

W

L

I

I

S

D

E

A

Q

S

E

Q

R

F

D

E

R

R

G

I

I

L

R

A

L

I

F

L

Q

K

R

K

A

A

G

H

L

L

P

P

V

V

V

R

P

T

P

P

E

E

E

N

M

M

T

T

E

F

A

A

D

D

F

F

L

M

E

Q

H

H

M

M

A

M

I

R

D

D

K

K

V

V

I

L

D

A

G

G

R

E

L

L

R

R

L

L

V

V

L

L

L

P

R

T

H

S

M

I

G

G

E

T

A

S

V

A

V

V

T

V

D

K

D

G

Y

V

P

P

K

E

E

A

V

V

L

I

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 (= E175)

6llaB Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+ and NAD (see paper)
56% identity, 97% coverage: 1:356/366 of query aligns to 2:360/363 of 6llaB

query
sites
6llaB

M

M

Q

E

T

K

L

V

K

T

V

V

D

T

L

L

G

D

E

E

R

R

S

S

Y

Y

P

P

I

I

H

N

I

I

G

A

E

P

G

S

L

L

L

Y

D

Q

Q

Q

P

Q

E

D

L

A

L

F

A

W

P

P

H

L

I

T

A

A

G

G

R

Q

Q

R

V

A

A

M

I

I

I

V

S

T

N

N

E

E

T

T

V
x
L

A

A

P

P

L

L

Y

Y

L

L

E

H

R

K

L

I

T

Q

R

T

S

V

L

L

-

E

-

V

S

S

A

G

F

V

S

K

V

V

I

D

S

S

V

I

L

L

P

P

D
|
D

G

G

E
|
E

A

Q

F

Y

K
|
K

N

S

W

L

E

F

T

I

L

M

Q

N

L

D

I

V

F

F

D

T

G

A

L

L

T

E

A

K

R

H

H

H

D

N

R

R

R

D

T

T

V

L

L

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

M

L

A

T

G

G

F

F

A

A

C

S

Y

Y

Q

Q

R
|
R

G

G

V

V

D

R

F

F

I

I

Q

Q

I

V

P

P

T
|
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

H

H

P

P

L

L

G

G

K

K

N

N

M

M

V

I

G

G

A

A

F

F

Y

Y

Q

Q

P

P

N

A

V

S

V

V

L

V

I

I

D

D

T

L

A

D

T

C

L

L

N

K

T
|
T

L
|
L

P

P

A

K

R

R

E
|
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

C

L

D

D

E

G

P

E

F

F

L

F

G

S

W

W

L

L

E

E

N

N

V

I

D

D

R

A

L

L

R

M

A

A

L

L

D

D

Q

N

A

Q

A

A

L

M

T

A

Y

Y

A

C

I

I

E

R

R

R

S

C

C

C

A

E

A

L

K
|
K

A

A

A

Q

V

V

G

A

A

A

D

D

E

E

R

K

E
|
E

-

T

S

S

G

G

V

L

R
|
R

A

A

T

L

L

L

N
|
N

L

L

G

G

H
|
H

T

T

F

F

G

G

H
|
H

A

A

I

I

E

E

T

A

H

E

M

M

G

G

Y

Y

G

G

V

V

W

W

L

L

H
|
H

G

G

E

E

A

A

V

V

A

A

G

G

T

M

V

V

M

M

A

A

L

A

E

K

M

T

S

A

A

E

R

L

L

I

G

G

W

Q

I

F

S

T

E

P

Q

E

E

Q

R

T

D

D

R

R

G

V

I

I

R

A

L

L

F

L

Q

K

R

R

A

A

G

E

L

L

P

P

V

V

V

T

P

G

P

P

E

A

E

K

M

M

T

Q

E

P

A

D

D

D

F

Y

L

L

E

P

H

H

M

M

A

M

I

R

D

D

K

K

V

V

I

M

D

G

G

G

R

K

L

L

R

H

L

L

V

I

L

L

L

P

R

T

H

T

M

I

G

G

E

H

A

S

V

E

V

M

T

R

D

S

D

D

Y

V

P

D

K

A

E

S

V

T

L

V

Q

T

A

A

T

A

L

I

G

S

A

A

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 (= E175)

6lk2A Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+, NAD and chlorogenic acid (see paper)
56% identity, 97% coverage: 1:356/366 of query aligns to 2:356/357 of 6lk2A

query
sites
6lk2A

M

M

Q

E

T

K

L

V

K

T

V

V

D

T

L

L

G

D

E

E

R

R

S

S

Y

Y

P

P

I

I

H

N

I

I

G

A

E

P

G

S

L

L

L

Y

D

Q

Q

Q

P

Q

E

D

L

A

L

F

A

W

P

P

H

L

I

T

A

A

G

G

R

Q

Q

R

V

A

A

M

I

I

I

V

S

T

N

N

E

E

T

T

V
x
L

A

A

P

P

L

L

Y

Y

L

L

E

H

R

K

L

I

T

Q

R

T

S

V

L

L

-

E

-

V

S

S

A

G

F

V

S

K

V

V

I

D

S

S

V

I

L

L

P

P

D
|
D

G

G

E
|
E

A

Q

F

Y

K
|
K

N

S

W

L

E

F

T

I

L

M

Q

N

L

D

I

V

F

F

D

T

G

A

L

L

T

E

A

K

R

H

H

H

D

N

R

R

R

D

T

T

V

L

L

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

M

L

A

T

G

G

F

F

A

A

C

S

Y

Y

Q

Q

R
|
R

G

G

V

V

D

R

F

F

I

I

Q

Q

I

V

P

P

T
|
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

H

H

P

P

L

L

G

G

K

K

N

N

M

M

V

I

G

G

A

A

F

F

Y

Y

Q

Q

P

P

N

A

V

S

V

V

L

V

I

I

D

D

T

L

A

D

T
x
C

L

L

N

K

T
|
T

L
|
L

P
|
P

A

K

R

R

E
|
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

C

L

D

D

E

G

P

E

F

F

L

F

G

S

W

W

L

L

E

E

N

N

V

I

D

D

R

A

L

L

R

M

A

A

L

L

D

D

Q

N

A

Q

A

A

L

M

T

A

Y

Y

A

C

I

I

E

R

R

R

S

C

C

C

A

E

A

L

K
|
K

A

A

A

Q

V

V

G

A

A

A

D

D

E

E

R

-

E

-

S

-

G

G

V

L

R
|
R

A

A

T

L

L

L

N
|
N

L

L

G

G

H
|
H

T
|
T

F

F

G

G

H
|
H

A

A

I

I

E

E

T

A

H

E

M

M

G

G

Y

Y

G

G

V

V

W

W

L

L

H
|
H

G

G

E

E

A

A

V

V

A

A

G

G

T

M

V

V

M

M

A

A

L

A

E

K

M

T

S

A

A

E

R

L

L

I

G

G

W

Q

I

F

S

T

E

P

Q

E

E

Q

R

T

D

D

R

R

G

V

I

I

R

A

L

L

F

L

Q

K

R

R

A

A

G

E

L

L

P

P

V

V

V

T

P

G

P

P

E

A

E

K

M

M

T

Q

E

P

A

D

D

D

F

Y

L

L

E

P

H

H

M

M

A

M

I

R

D

D

K

K

V

V

I

M

D

G

G

G

R

K

L

L

R

H

L

L

V

I

L

L

L

P

R

T

H

T

M

I

G

G

E

H

A

S

V

E

V

M

T

R

D

S

D

D

Y

V

P

D

K

A

E

S

V

T

L

V

Q

T

A

A

T

A

L

I

G

S

A

A

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 (= P172), E178 (= E175)

Q5NFS1 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
46% identity, 93% coverage: 12:351/366 of query aligns to 14:353/359 of Q5NFS1

query
sites
Q5NFS1

S

S

Y

Y

P

N

I

I

H

-

I

I

G

V

E

D

G

S

L

V

L

L

D

D

Q

F

P

S

E

H

L

I

L

L

A

-

P

E

H

Y

I

V

A

T

G

N

R

K

Q

Q

V

V

A

L

I

V

S

T

N
|
N

E

T

T

T

V

V

A

A

P

K

L

L

Y

Y

L

L

E

T

R

K

L

F

T

L

R

A

S

A

L

L

-

V

S

D

A

D

F

L

S

D

V

V

I

R

S

T

V

C

V

I

L

L

P

E

D
|
D

G
|
G

E
|
E

A
x
Q

F
x
Y

K
|
K

N

S

W

Q

E

Q

T

S

L

L

Q

D

L

K

I

I

F

L

D

S

G

T

L

L

T

E

A

N

R

H

H

F

D

T

R

R

R

N

T

S

T

T

V

V

L

L

-

V

A

A

L

L

G

G

G
|
G

V
|
V

I
|
I

G
|
G

D
|
D

M

I

A

T

G

G

F

F

A

A

C

I

Y

Y

Q

Q

R

R

G

G

V

I

D

D

F

F

I

I

Q

Q

I

I

P

P

T
|
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

H

H

P

Q

L

L

G

G

K

K

N

N

M

M

V

I

G

G

A

A

F

F

Y

Y

Q

Q

P

P

N

K

V

V

L

Y

I

T

D

S

T

I

A

E

T
x
F

L
x
Y

N
x
K

T
|
T

L

L

P

P

A

Q

R

R

E

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

C

S

D

K

E

D

P

F

F

Y

L

L

G

-

W

W

L

L

E

D

E

S

N

N

V

R

D

D

R

K

L

I

R

L

A

A

L

K

D

D

Q

S

A

V

A

T

L

L

T

I

Y

E

A

M

I

V

E

K

R

R

S

S

C

C

A

Q

A

I

K

K

A

A

A

Q

V

V

G

A

A

M

D

D

E

E

R

K

E

E

-

L

S

T

G

G

V

A

R

R

A

A

T

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

T

K

H

C

M

Q

G

N

Y

Y

G

R

V

G

W

L

L

K

H

H

G

G

E

E

A

A

V

V

A

G

A

V

G

G

T

M

V

A

M

Q

A

A

L

I

E

D

M

F

S

S

A

H

R

Y

L

L

G

G

W

L

I

I

S

S

E

Q

Q

Q

E

Q

R

A

D

K

R

D

G

F

I

N

R

D

L

F

F

I

Q

V

R

S

A

F

G

G

L

I

P

S

V

I

V

D

P

F

P

P

E

N

E

D

M

I

T

C

E

Q

A

K

D

E

F

F

L

L

E

E

H

A

M

M

A

L

I

L

D

D

K

K

V

N

I

S

D

N

G

K

R

E

L

L

R

K

L

F

V

I

L

L

L

I

R

E

H

N

M

I

G

G

E

S

A

L

V

S

V

L

T

Q

D

K

D

Q

Y

S

P

K

K

N

E

E

V

L

L

E

Q

Q

N42 (= N42) binding NAD(+)
DGEQYK 70:75 (≠ DGEAFK 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 (≠ TLNT 167:170) binding NAD(+)

5hvnA 3.0 angstrom crystal structure of 3-dehydroquinate synthase (arob) from francisella tularensis in complex with NAD.
46% identity, 93% coverage: 12:351/366 of query aligns to 17:348/354 of 5hvnA

query
sites
5hvnA

S

S

Y

Y

P

N

I

I

H

-

I

I

G

V

E

D

G

S

L

V

L

L

D

D

Q

F

P

S

E

H

L

I

L

L

A

-

P

E

H

Y

I

V

A

T

G

N

R

K

Q

Q

V

V

A

L

I

V

S

T

N
|
N

E

T

T

T

V

V

A

A

P

K

L
|
L

Y

Y

L

L

E

T

R

K

L

F

T

L

R

A

S

A

L

L

-

V

S

D

A

D

F

L

S

D

V

V

I

R

S

T

V

C

V

I

L

L

P

E

D
|
D

G

G

E
|
E

A

Q

F

Y

K
|
K

N

S

W

Q

E

Q

T

S

L

L

Q

D

L

K

I

I

F

L

D

S

G

T

L

L

T

E

A

N

R

H

H

F

D

T

R

R

R

N

T

S

T

T

V

V

L

L

-

V

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

M

I

A

T

G

G

F

F

A

A

C

I

Y

Y

Q

Q

R
|
R

G

G

V

I

D

D

F

F

I

I

Q

Q

I

I

P

P

T
|
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

H

H

P

Q

L

L

G

G

K

K

N

N

M

M

V

I

G

G

A

A

F

F

Y

Y

Q

Q

P

P

N

K

V

V

L

Y

I

T

D

S

T

I

A

E

T
x
F

L

Y

N

K

T
|
T

L
|
L

P

P

A

Q

R

R

E
|
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

C

S

D

K

E

D

P

F

F

Y

L

L

G

-

W

W

L

L

E

D

E

S

N

N

V

R

D

D

R

K

L

I

R

L

A

A

L

K

D

D

Q

S

A

V

A

T

L

L

T

I

Y

E

A

M

I

V

E

K

R

R

S

S

C

C

A

Q

A

I

K
|
K

A

A

A

Q

V

V

G

A

A

M

D

D

E

-

R

-

E

-

S

T

G

G

V

A

R
|
R

A

A

T

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

T

K

H

C

M

Q

G

N

Y

Y

G

R

V

G

W

L

L

K

H
|
H

G

G

E

E

A

A

V

V

A

G

A

V

G

G

T

M

V

A

M

Q

A

A

L

I

E

D

M

F

S

S

A

H

R

Y

L

L

G

G

W

L

I

I

S

S

E

Q

Q

Q

E

Q

R

A

D

K

R

D

G

F

I

N

R

D

L

F

F

I

Q

V

R

S

A

F

G

G

L

I

P

S

V

I

V

D

P

F

P

P

E

N

E

D

M

I

T

C

E

Q

A

K

D

E

F

F

L

L

E

E

H

A

M

M

A

L

I

L

D

D

K

N

K

K

V

-

I

-

D

-

G

-

R

E

L

L

R

K

L

F

V

I

L

L

L

I

R

E

H

N

M

I

G

G

E

S

A

L

V

S

V

L

T

Q

D

K

D

Q

Y

S

P

K

K

N

E

E

V

L

L

E

Q

Q

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 (= E175)

P56081 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
40% identity, 97% coverage: 1:354/366 of query aligns to 1:339/343 of P56081

query
sites
P56081

M

M

Q

Q

T

E

L

I

K

L

V

I

D

P

L

L

G

K

E

E

R

K

S

N

Y

Y

P

K

I

V

H

F

I

L

G

G

E

E

G

-

L

-

D

-

Q

-

P

-

E

-

L

-

A

L

P

P

H

E

I

I

A

K

G

L

R

K

Q

Q

V

K

A

A

-

L

I

I

S

S

N

D

E

S

T

I

V

V

A

A

P

G

L

L

Y

H

L

L

E

P

R

Y

L

L

T

L

R

E

S

R

L

L

S

K

A

A

F

L

S

E

V

V

I

R

S

V

V

C

V

V

L

I

P

E

D
x
S

G
|
G

E
|
E

A
x
K

F
x
Y

K
|
K

N

N

W

F

E

H

T

S

L

L

Q

E

L

R

I

I

F

L

D

N

G

N

L

A

L

F

T

E

A

M

R

Q

H

L

D

N

R

R

R

H

T

S

T

L

V

M

L

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

S

D

D

M

M

A

V

G

G

F

F

A

A

A

S

C

I

Y

Y

Q

F

R

R

G

G

V

I

D

D

F

F

I

I

Q

N

I

I

P

P

T
|
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

H

T

P

P

L

Y

G

G

K

K

N
|
N

M

L

V

I

G

G

A

S

F

F

Y

H

Q

Q

P

P

N

K

V

A

V

V

L

Y

I

M

D

D

T

L

A

A

T
x
F

L
|
L

N
x
K

T
|
T

L

L

P

E

A

K

R

R

E

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

C

F

D

D

E

K

P

N

F

L

L

-

G

-

W

-

L

-

E

-

N

-

V

V

D

E

R

R

L

L

R

E

A

T

L

K

D

D

-

L

Q

K

A

D

A

C

L

L

T

E

Y

E

A

V

I

I

E

F

R

Q

S

S

C

V

A

N

A

I

K

K

A

A

A

Q

V

V

G

V

A

Q

D

D

E

E

R

K

E

E

S

Q

G

N

V

I

R

R

A

A

T

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

T

K

H

E

M

T

G

D

Y

Y

G

E

V

R

W

F

L

L

H

H

G

G

E

E

A

A

V

I

A

A

A

I

G

G

T

M

V

R

M

M

A

A

L

N

E

D

M

L

S

A

A

L

R

S

L

L

G

G

W

M

I

L

S

T

E

L

Q

K

E

E

R

Y

D

E

R

R

G

I

I

E

R

N

L

L

F

L

Q

K

R

K

A

F

G

D

L

L

P

-

V

I

V

F

P

H

P

Y

E

K

E

I

M

L

T

D

E

L

A

Q

D

K

F

F

L

Y

E

E

H

R

M

L

A

F

I

L

D

D

K

K

V

S

I

E

D

N

G

K

R

T

L

I

R

K

L

F

V

I

L

L

L

P

R

K

H

G

M

V

G

G

E

A

A

F

V

E

V

V

T

A

D

S

D

H

Y

I

P

P

K

K

E

E

V

T

L

I

Q

I

A

K

T

V

L

L

SGEKYK 61:66 (≠ DGEAFK 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 (≠ TLNT 167:170) binding NAD(+)

3clhA Crystal structure of 3-dehydroquinate synthase (dhqs)from helicobacter pylori (see paper)
43% identity, 81% coverage: 6:300/366 of query aligns to 3:274/308 of 3clhA

query
sites
3clhA

V

I

D

P

L

L

G

K

E

E

R

K

S

N

Y

Y

P

K

I

V

H

F

I

L

G

G

E

E

G

-

L

-

D

-

Q

-

P

-

E

-

L

-

A

L

P

P

H

E

I

I

A

K

G

L

R

K

Q

Q

V

K

A

A

-

L

I

I

S

S

N

D

E

S

T
x
I

V
|
V

A

A

P

G

L

L

Y
x
H

L

L

E

P

R

Y

L

L

T

L

R

E

S

R

L

L

S

K

A

A

F

L

S

E

V

V

I

R

S

V

V

C

V

V

L

I

P

E

D
x
S

G

G

E
|
E

A

K

F

Y

K
|
K

N

N

W

F

E

H

T

S

L

L

Q

E

L

R

I

I

F

L

D

N

G

N

L

A

L

F

T

E

A

M

R

Q

H

L

D

N

R

R

R

H

T

S

T

L

V

M

L

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

S

D
|
D

M

M

A

V

G

G

F

F

A

A

A

S

C

I

Y

Y

Q

F

R
|
R

G

G

V

I

D

D

F

F

I

I

Q

N

I

I

P

P

T
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T

L

L

L
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L

S

A

Q

Q

V

V

D
|
D

S
x
A

S

S

V

V

G

G

K
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K

T

T

G

G

I

I

N

N

H

T

P

P

L

Y

G

G

K

K

N
|
N

M

L

V

I

G

G

A

S

F

F

Y

H

Q

Q

P

P

N

K

V

A

V

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D

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A

A

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L

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T

L
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L

P

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A

K

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E

L

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S

Q

A

A

G

G

L

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A

A

E
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E

V

I

I

I

K

K

Y

M

G

A

L

V

I

C

C

F

D

D

E

K

P

N

F

L

L

-

G

-

W

-

L

-

E

-

N

-

V

V

D

E

R

R

L

L

R

E

A

T

L

K

D

D

-

L

Q

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A

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K

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-

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V

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R
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R

A

A

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G

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N

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H

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H

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H

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A

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A

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M

M

A

A

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N

E

D

M

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A

A

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S

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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 (= E175)

6hqvA Pentafunctional arom complex from chaetomium thermophilum (see paper)
41% identity, 77% coverage: 62:344/366 of query aligns to 67:377/1555 of 6hqvA

query
sites
6hqvA

V

L

I

L

S

T

V

Y

V

A

L

I

P

P

D

P

G

G

E
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E

A

Y

F

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K

N

S

W

R

E

E

T

T

L

K

Q

A

L

E

I

I

F

E

D

D

G

W

L

M

L

L

T

S

A

H

R

A

H

C

D

T

R

R

R

D

T

T

T

V

V

I

L

I

A

A

L

L

G

G

G
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G

V
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V

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I

G

G

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|
D

M

M

A

I

G

G

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Y

A

V

A

A

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Q

M

R
|
R

G

G

V

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D

R

F

F

I

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Q

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P

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T

L

L

L
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L

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A

Q

M

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D

S
|
S

S

S

V

I

G

G

K
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K

T

T

G

A

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N

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K
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K

N

N

M

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A

A

F

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Y

W

Q

Q

P

P

N

R

V

R

V

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I

I

D

D

T

L

A

A

T

F

L

L

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T

L
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L

P
|
P

A

V

R

R

E
|
E

L

F

S

I

A

N

G

G

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A

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E
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E

V

V

I

I

K

K

Y

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G

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A

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C

W

D

N

E

E

P

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F

E

L

F

G

T

W

A

L

L

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E

N

N

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A

-

A

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I

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A

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A

A

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A

A

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-

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K

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E
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E

S

G

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R

A

N

T

L

L

L

N
|
N

L

F

G

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H
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H

T

S

F

I

G

G

H
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H

A

A

I

Y

E

E

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A

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I

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L

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A

Y

P

G

Q

V

V

W

-

L

L

H
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H

G

G

E

E

A

C

V

V

A

A

A

I

G

G

T

M

V

V

M

K

A

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A

A

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R

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L

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S

E

A

R

V

D

A

R

R

G

L

I

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R

K

L

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Q

A

R

S

A

Y

G

D

L

L

P

P

-

T

-

S

-

V

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H

-

D

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K

-

R

-

I

-

A

-

K

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A

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E

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A

D

D

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L

L

L

E

Q

H

K

M

M

A

A

I

V

D

D

K

K

V

N

I

E

D

G

G

R

R

K

L

K

R

K

L

I

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V

L

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H

A

M

I

G

G

-

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T

-

Y

-

E

-

K

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K

A

A

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D

active site: R123 (= R118), K145 (= K140), E187 (= E182), K243 (= K224), E253 (= E234), R257 (= R238), N261 (= N242), H264 (= H245), H268 (= H249), H280 (= H262)
binding glutamic acid: D139 (= D134), K145 (= K140), E187 (= E182), K243 (= K224), R257 (= R238), H264 (= H245), H280 (= H262)
binding nicotinamide-adenine-dinucleotide: E76 (= E71), K79 (= K74), G107 (= G102), G108 (= G103), V109 (= V104), D112 (= D107), T132 (= T127), T133 (= T128), L135 (= L130), D139 (= D134), S140 (= S135), K145 (= K140), K154 (= K149), T175 (= T170), L176 (= L171), P177 (= P172), E180 (= E175), H280 (= H262)
binding zinc ion: E187 (= E182), H264 (= H245), H280 (= H262)

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 nicotinamide-adenine-dinucleotide: 42, 44, 45
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

P9WPX9 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
46% identity, 73% coverage: 67:333/366 of query aligns to 71:335/362 of P9WPX9

query
sites
P9WPX9

L

I

P

P