SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Dsui_1095 FitnessBrowser__PS:Dsui_1095 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)

5eksA Structure of 3-dehydroquinate synthase from acinetobacter baumannii in complex with NAD
60% identity, 98% coverage: 4:360/364 of query aligns to 3:352/355 of 5eksA

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active site: R120 (= R122), K142 (= K144), E184 (= E186), K226 (= K228), R237 (= R242), N241 (= N246), H244 (= H249), H248 (= H253), H261 (= H266)
binding magnesium ion: E184 (= E186), H244 (= H249), H261 (= H266)
binding nicotinamide-adenine-dinucleotide: N42 (= N44), V45 (= V47), D71 (= D73), E73 (= E75), K76 (= K78), G104 (= G106), G105 (= G107), V106 (= V108), D109 (= D111), T129 (= T131), T130 (= T132), D136 (= D138), S137 (= S139), K142 (= K144), T172 (= T174), L173 (= L175), E177 (= E179)

U3KRF2 3-dehydroquinate synthase, chloroplastic; EC 4.2.3.4 from Actinidia chinensis var. chinensis (Chinese soft-hair kiwi) (see paper)
58% identity, 93% coverage: 6:345/364 of query aligns to 84:427/445 of U3KRF2

query
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U3KRF2

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N122 (= N44) binding NAD(+)
DGE 153:155 (= DGE 73:75) binding NAD(+)
K158 (= K78) binding NAD(+)
GGVIGD 186:191 (= GGVIGD 106:111) binding NAD(+)
TT 211:212 (= TT 131:132) binding NAD(+)
K224 (= K144) binding NAD(+)
K233 (= K153) binding NAD(+)
TLNT 251:254 (≠ TLDT 171:174) binding NAD(+)
K308 (= K228) binding NAD(+)

3zokA Structure of 3-dehydroquinate synthase from actinidia chinensis in complex with NAD (see paper)
58% identity, 93% coverage: 6:345/364 of query aligns to 4:347/365 of 3zokA

query
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3zokA

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active site: R122 (= R122), K144 (= K144), E186 (= E186), K228 (= K228), E238 (= E238), R242 (= R242), N246 (= N246), H249 (= H249), H253 (= H253), H266 (= H266)
binding glycine: K144 (= K144), K228 (= K228), R242 (= R242)
binding nicotinamide-adenine-dinucleotide: T44 (= T46), V45 (= V47), D73 (= D73), E75 (= E75), K78 (= K78), G106 (= G106), G107 (= G107), V108 (= V108), D111 (= D111), T131 (= T131), T132 (= T132), M134 (≠ L134), D138 (= D138), S139 (= S139), K144 (= K144), K153 (= K153), T174 (= T174), L175 (= L175), E179 (= E179), H266 (= H266)

Q9KNV2 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
55% identity, 97% coverage: 4:357/364 of query aligns to 2:355/361 of Q9KNV2

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Q9KNV2

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F

F

Y

Y

Q

Q

P

P

K

K

L

A

V

V

L

V

A

I

D

D

I

T

D

D

T
x
C

L
|
L

D
x
T

T
|
T

L

L

P

P

E

A

R

R

E

E

L

F

K

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

P

S

Q

A

F

F

L

F

G

D

W

W

I

L

E

E

S

A

S

Q

L

M

P

E

G

A

L

L

L

Y

A

A

R

L

D

D

K

E

A

Q

L

A

L

L

A

T

E

Y

A

A

V

I

Y

A

R

R

S

C

C

C

A

Q

H

I

K

K

A

A

E

E

V

V

A

A

R

Q

D

D

E

E

R

K

E

E

T

S

G

G

E

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

T

A

G

H

L

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

E

K

L

T

S

A

A

Q

R

L

L

Q

G

G

W

L

I

I

G

D

P

A

A

S

E

Q

V

F

A

E

R

R

V

I

E

L

S

A

V

I

F

L

R

K

L

K

A

A

G

H

L

L

P

P

V

V

S

R

G

T

P

P

-

E

D

N

L

M

G

T

V

F

E

A

R

D

Y

F

L

M

E

Q

L

H

M

M

R

M

H

R

D

D

K

K

V

V

E

L

A

A

G

G

K

E

L

L

R

R

L

L

V

V

L

L

F

P

R

T

G

S

I

I

G

G

D

T

A

S

V

A

V

V

S

V

D

K

A

G

A

V

S

P

D

E

E

A

Q

V

I

I

A

A

A

Q

A

A

I

I

N41 (= N44) binding NAD(+)
DGEQYK 70:75 (≠ DGEEFK 73:78) binding NAD(+)
GVIGD 104:108 (= GVIGD 107:111) binding NAD(+)
TT 128:129 (= TT 131:132) binding NAD(+)
K141 (= K144) binding NAD(+)
KN 150:151 (= KN 153:154) binding NAD(+)
CLTT 168:171 (≠ TLDT 171:174) binding NAD(+)

6llaB Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+ and NAD (see paper)
56% identity, 98% coverage: 4:361/364 of query aligns to 3:362/363 of 6llaB

query
sites
6llaB

Q

E

T

K

L

V

Q

T

V

V

A

T

L

L

G

D

D

E

R

R

S

S

Y

Y

P

P

I

I

H

N

I

I

G

A

S

P

G

S

L

L

L

Y

Q

Q

R

Q

A

Q

D

D

L

A

I

F

L

W

P

P

H

L

L

T

G

A

R

G

K

Q

K

R

A

A

V

M

I

I

V

V

S

T

N

N

E

E

T

T

V
x
L

A

A

P

P

L

L

Y

Y

L

L

E

H

P

K

L

I

A

Q

A

T

L

V

L

L

R

E

A

V

N

S

G

G

V

V

A

K

V

V

S

D

Q

S

V

I

L

L

P

P

D
|
D

G

G

E
|
E

E

Q

F

Y

K
|
K

D

S

W

L

P

F

T

I

L

M

N

N

R

D

I

V

F

F

D

T

A

A

L

L

E

E

S

K

R

H

A

H

E

N

R

R

S

D

T

T

L

L

I

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

T

L

T

T

G

G

F

F

A

A

C

S

Y

Y

Q

Q

R
|
R

G

G

M

V

P

R

F

F

I

I

Q

Q

V

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

A

A

I

V

N

N

H

H

P

P

L

L

G

G

K

K

N

N

M

M

I

I

G

G

A

A

F

F

Y

Y

Q

Q

P

P

K

A

L

S

V

V

L

V

A

I

D

D

I

L

D

D

T

C

L

L

D

K

T
|
T

L
|
L

P

P

E

K

R

R

E
|
E

L

L

K

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

P

G

Q

E

F

F

L

F

G

S

W

W

I

L

E

E

S

E

S

N

L

I

P

D

G

A

L

L

L

M

A

A

R

L

D

D

K

N

A

Q

L

A

L

M

A

A

E

Y

A

C

V

I

Y

R

R

R

S

C

C

C

A

E

H

L

K
|
K

A

A

E

Q

V

V

A

A

R

A

D

D

E

E

R

K

E
|
E

T

T

-

S

G

G

E

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

T

A

G

E

L

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

E

K

L

T

S

A

A

E

R

L

L

I

G

G

W

Q

I

F

G

T

P

P

A

E

E

Q

V

T

A

D

R

R

V

V

E

I

S

A

V

L

F

L

R

K

L

R

A

A

G

E

L

L

P

P

V

V

S

T

G

G

P

P

-

A

D

K

L

M

G

Q

V

P

E

D

R

D

Y

Y

L

L

E

P

L

H

M

M

R

M

H

R

D

D

K

K

V

V

E

M

A

G

G

G

K

K

L

L

R

H

L

L

V

I

L

L

F

P

R

T

G

T

I

I

G

G

D

H

A

S

V

E

V

M

S

R

D

S

A

D

A

V

S

D

D

A

E

S

Q

T

I

V

A

T

A

A

I

I

A

S

A

A

R

C

V

I

active site: R121 (= R122), K143 (= K144), E185 (= E186), K227 (= K228), E237 (= E238), R242 (= R242), N246 (= N246), H249 (= H249), H253 (= H253), H266 (= H266)
binding magnesium ion: E185 (= E186), H249 (= H249), H266 (= H266)
binding nicotinamide-adenine-dinucleotide: L46 (≠ V47), D72 (= D73), E74 (= E75), K77 (= K78), G105 (= G106), G106 (= G107), V107 (= V108), D110 (= D111), T130 (= T131), T131 (= T132), L133 (= L134), D137 (= D138), K143 (= K144), T173 (= T174), L174 (= L175), E178 (= E179)

3okfA 2.5 angstrom resolution crystal structure of 3-dehydroquinate synthase (arob) from vibrio cholerae
55% identity, 98% coverage: 2:357/364 of query aligns to 1:354/360 of 3okfA

query
sites
3okfA

T

T

Q

M

Q

E

T

R

L

I

Q

T

V

V

A

N

L

L

G

G

D

E

R

R

S

S

Y

Y

P

P

I

I

H

S

I

I

G

G

S

A

G

G

L

L

L

F

Q

A

R

N

A

P

D

A

L

L

I

-

L

L

P

S

H

L

L

S

G

A

R

K

K

Q

K

K

A

V

V

V

I

I

V

V

S

T

N
|
N

E

H

T

T

V

V

A

A

P

P

L
|
L

Y

Y

L

A

E

P

P

A

L

I

A

I

A

S

L

L

R

D

A

H

N

I

G

G

V

C

A

Q

V

H

S

A

Q

L

V

L

V

E

L

L

P

P

D
|
D

G

G

E
|
E

E

Q

F

Y

K
|
K

D

T

W

L

P

E

T

T

L

F

N

N

R

T

I

V

F

M

D

S

A

F

L

L

E

E

S

H

R

N

A

Y

E

S

R

R

S

D

T

V

L

V

I

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

T

L

T

V

G

G

F

F

A

A

C

C

Y

Y

Q

Q

R
|
R

G

G

M

V

P

D

F

F

I

I

Q

Q

V

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

A

A

I

V

N

N

H

H

P

P

L

L

G

G

K

K

N

N

M

M

I

I

G

G

A

A

F

F

Y

Y

Q

Q

P

P

K

K

L

A

V

V

L

V

A

I

D

D

I

T

D

D

T

C

L

L

D

T

T
|
T

L
|
L

P

P

E

A

R

R

E
|
E

L

F

K

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

P

S

Q

A

F

F

L

F

G

D

W

W

I

L

E

E

S

A

S

Q

L

M

P

E

G

A

L

L

L

Y

A

A

R

L

D

D

K

E

A

Q

L

A

L

L

A

T

E

Y

A

A

V

I

Y

A

R

R

S

C

C

C

A

Q

H

I

K
|
K

A

A

E

E

V

V

A

A

R

Q

D

D

E

E

R

K

E

-

T

-

G

G

E

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

T

A

G

H

L

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

E

K

L

T

S

A

A

Q

R

L

L

Q

G

G

W

L

I

I

G

D

P

A

A

S

E

Q

V

F

A

E

R

R

V

I

E

L

S

A

V

I

F

L

R

K

L

K

A

A

G

H

L

L

P

P

V

V

S

R

G

T

P

P

-

E

D

N

L

M

G

T

V

F

E

A

R

D

Y

F

L

M

E

Q

L

H

M

M

R

M

H

R

D

D

K

K

V

V

E

L

A

A

G

G

K

E

L

L

R

R

L

L

V

V

L

L

F

P

R

T

G

S

I

I

G

G

D

T

A

S

V

A

V

V

S

V

D

K

A

G

A

V

S

P

D

E

E

A

Q

V

I

I

A

A

A

Q

A

A

I

I

active site: R120 (= R122), K142 (= K144), E184 (= E186), K226 (= K228), R238 (= R242), N242 (= N246), H245 (= H249), H249 (= H253), H262 (= H266)
binding nicotinamide-adenine-dinucleotide: N42 (= N44), L48 (= L50), D71 (= D73), E73 (= E75), K76 (= K78), G104 (= G106), G105 (= G107), V106 (= V108), D109 (= D111), T129 (= T131), T130 (= T132), L132 (= L134), D136 (= D138), T172 (= T174), L173 (= L175), E177 (= E179)

6lk2A Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+, NAD and chlorogenic acid (see paper)
55% identity, 98% coverage: 4:359/364 of query aligns to 3:356/357 of 6lk2A

query
sites
6lk2A

Q

E

T

K

L

V

Q

T

V

V

A

T

L

L

G

D

D

E

R

R

S

S

Y

Y

P

P

I

I

H

N

I

I

G

A

S

P

G

S

L

L

L

Y

Q

Q

R

Q

A

Q

D

D

L

A

I

F

L

W

P

P

H

L

L

T

G

A

R

G

K

Q

K

R

A

A

V

M

I

I

V

V

S

T

N

N

E

E

T

T

V
x
L

A

A

P

P

L

L

Y

Y

L

L

E

H

P

K

L

I

A

Q

A

T

L

V

L

L

R

E

A

V

N

S

G

G

V

V

A

K

V

V

S

D

Q

S

V

I

L

L

P

P

D
|
D

G

G

E
|
E

E

Q

F

Y

K
|
K

D

S

W

L

P

F

T

I

L

M

N

N

R

D

I

V

F

F

D

T

A

A

L

L

E

E

S

K

R

H

A

H

E

N

R

R

S

D

T

T

L

L

I

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

T

L

T

T

G

G

F

F

A

A

C

S

Y

Y

Q

Q

R
|
R

G

G

M

V

P

R

F

F

I

I

Q

Q

V

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

A

A

I

V

N

N

H

H

P

P

L

L

G

G

K

K

N

N

M

M

I

I

G

G

A

A

F

F

Y

Y

Q

Q

P

P

K

A

L

S

V

V

L

V

A

I

D

D

I

L

D

D

T
x
C

L

L

D

K

T
|
T

L
|
L

P
|
P

E

K

R

R

E
|
E

L

L

K

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

P

G

Q

E

F

F

L

F

G

S

W

W

I

L

E

E

S

E

S

N

L

I

P

D

G

A

L

L

L

M

A

A

R

L

D

D

K

N

A

Q

L

A

L

M

A

A

E

Y

A

C

V

I

Y

R

R

R

S

C

C

C

A

E

H

L

K
|
K

A

A

E

Q

V

V

A

A

R

A

D

D

E

E

R

-

E

-

T

-

G

G

E

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

T

A

G

E

L

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

E

K

L

T

S

A

A

E

R

L

L

I

G

G

W

Q

I

F

G

T

P

P

A

E

E

Q

V

T

A

D

R

R

V

V

E

I

S

A

V

L

F

L

R

K

L

R

A

A

G

E

L

L

P

P

V

V

S

T

G

G

P

P

-

A

D

K

L

M

G

Q

V

P

E

D

R

D

Y

Y

L

L

E

P

L

H

M

M

R

M

H

R

D

D

K

K

V

V

E

M

A

G

G

G

K

K

L

L

R

H

L

L

V

I

L

L

F

P

R

T

G

T

I

I

G

G

D

H

A

S

V

E

V

M

S

R

D

S

A

D

A

V

S

D

D

A

E

S

Q

T

I

V

A

T

A

A

I

I

A

S

A

A

active site: R121 (= R122), K143 (= K144), E185 (= E186), K227 (= K228), R238 (= R242), N242 (= N246), H245 (= H249), H249 (= H253), H262 (= H266)
binding (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid: D137 (= D138), E185 (= E186), K227 (= K228), R238 (= R242), N242 (= N246), H245 (= H249), T246 (= T250), H249 (= H253), H262 (= H266)
binding magnesium ion: E185 (= E186), H245 (= H249), H262 (= H266)
binding nicotinamide-adenine-dinucleotide: L46 (≠ V47), D72 (= D73), E74 (= E75), K77 (= K78), G105 (= G106), G106 (= G107), V107 (= V108), D110 (= D111), T130 (= T131), T131 (= T132), L133 (= L134), D137 (= D138), S138 (= S139), C170 (≠ T171), T173 (= T174), L174 (= L175), P175 (= P176), E178 (= E179)

Q5NFS1 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
49% identity, 88% coverage: 30:351/364 of query aligns to 28:350/359 of Q5NFS1

query
sites
Q5NFS1

I

I

L

L

P

E

H

Y

L

V

G

T

R

N

K

K

K

Q

A

V

V

L

I

V

V

V

S

T

N
|
N

E

T

T

T

V

V

A

A

P

K

L

L

Y

Y

L

L

E

T

P

K

L

F

A

L

A

A

L

A

L

L

R

-

A

V

N

D

G

D

V

L

A

D

V

V

S

R

Q

T

V

C

V

I

L

L

P

E

D
|
D

G
|
G

E
|
E

E
x
Q

F
x
Y

K
|
K

D

S

W

Q

P

Q

T

S

L

L

N

D

R

K

I

I

F

L

D

S

A

T

L

L

E

E

S

N

R

H

A

F

E

T

R

R

-

N

S

S

T

T

T

V

L

L

I

V

A

A

L

L

G

G

G
|
G

V
|
V

I
|
I

G
|
G

D
|
D

T

I

T

T

G

G

F

F

A

A

C

I

Y

Y

Q

Q

R

R

G

G

M

I

P

D

F

F

I

I

Q

Q

V

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

A

A

I

I

N

N

H

H

P

Q

L

L

G

G

K

K

N

N

M

M

I

I

G

G

A

A

F

F

Y

Y

Q

Q

P

P

K

K

L

V

V

V

L

Y

A

T

D

S

I

I

D

E

T
x
F

L
x
Y

D
x
K

T
|
T

L

L

P

P

E

Q

R

R

E

E

L

Y

K

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

S

D

K

P

D

Q

F

F

Y

L

L

G

-

W

W

I

L

E

D

S

S

S

N

L

R

P

D

G

K

L

I

L

L

A

A

R

K

D

D

K

S

A

V

L

T

L

L

A

I

E

E

A

M

V

V

Y

K

R

R

S

S

C

C

A

Q

H

I

K

K

A

A

E

Q

V

V

A

A

R

M

D

D

E

E

R

K

E

E

-

L

T

T

G

G

E

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

T

K

G

C

L

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

A

I

E

D

L

F

S

S

A

H

R

Y

L

L

G

G

W

L

I

I

G

S

P

Q

A

Q

E

Q

V

A

A

K

R

D

V

F

E

N

S

D

V

F

F

I

R

V

L

S

A

F

G

G

L

I

P

S

V

I

S

D

G

F

P

P

-

N

D

D

L

I

G

C

V

Q

E

K

R

E

Y

F

L

L

E

E

L

A

M

M

R

L

H

L

D

D

K

K

V

N

E

S

A

N

G

K

K

E

L

L

R

K

L

F

V

I

L

L

F

I

R

E

G

N

I

I

G

G

D

S

A

L

V

S

V

L

S

Q

D

K

A

Q

A

S

S

K

D

N

E

E

N42 (= N44) binding NAD(+)
DGEQYK 70:75 (≠ DGEEFK 73:78) binding NAD(+)
GVIGD 105:109 (= GVIGD 107:111) binding NAD(+)
TT 129:130 (= TT 131:132) binding NAD(+)
K142 (= K144) binding NAD(+)
FYKT 169:172 (≠ TLDT 171:174) binding NAD(+)

5hvnA 3.0 angstrom crystal structure of 3-dehydroquinate synthase (arob) from francisella tularensis in complex with NAD.
48% identity, 88% coverage: 30:351/364 of query aligns to 31:345/354 of 5hvnA

query
sites
5hvnA

I

I

L

L

P

E

H

Y

L

V

G

T

R

N

K

K

K

Q

A

V

V

L

I

V

V

V

S

T

N
|
N

E

T

T

T

V

V

A

A

P

K

L
|
L

Y

Y

L

L

E

T

P

K

L

F

A

L

A

A

L

A

L

L

R

-

A

V

N

D

G

D

V

L

A

D

V

V

S

R

Q

T

V

C

V

I

L

L

P

E

D
|
D

G

G

E
|
E

E

Q

F

Y

K
|
K

D

S

W

Q

P

Q

T

S

L

L

N

D

R

K

I

I

F

L

D

S

A

T

L

L

E

E

S

N

R

H

A

F

E

T

R

R

-

N

S

S

T

T

T

V

L

L

I

V

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

T

I

T

T

G

G

F

F

A

A

C

I

Y

Y

Q

Q

R
|
R

G

G

M

I

P

D

F

F

I

I

Q

Q

V

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

A

A

I

I

N

N

H

H

P

Q

L

L

G

G

K

K

N

N

M

M

I

I

G

G

A

A

F

F

Y

Y

Q

Q

P

P

K

K

L

V

V

V

L

Y

A

T

D

S

I

I

D

E

T
x
F

L

Y

D

K

T
|
T

L
|
L

P

P

E

Q

R

R

E
|
E

L

Y

K

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

S

D

K

P

D

Q

F

F

Y

L

L

G

-

W

W

I

L

E

D

S

S

S

N

L

R

P

D

G

K

L

I

L

L

A

A

R

K

D

D

K

S

A

V

L

T

L

L

A

I

E

E

A

M

V

V

Y

K

R

R

S

S

C

C

A

Q

H

I

K
|
K

A

A

E

Q

V

V

A

A

R

M

D

D

E

-

R

-

E

-

T

T

G

G

E

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

T

K

G

C

L

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

A

I

E

D

L

F

S

S

A

H

R

Y

L

L

G

G

W

L

I

I

G

S

P

Q

A

Q

E

Q

V

A

A

K

R

D

V

F

E

N

S

D

V

F

F

I

R

V

L

S

A

F

G

G

L

I

P

S

V

I

S

D

G

F

P

P

-

N

D

D

L

I

G

C

V

Q

E

K

R

E

Y

F

L

L

E

E

L

A

M

M

R

L

H

L

D

D

K

N

K

K

V

-

E

-

A

-

G

-

K

E

L

L

R

K

L

F

V

I

L

L

F

I

R

E

G

N

I

I

G

G

D

S

A

L

V

S

V

L

S

Q

D

K

A

Q

A

S

S

K

D

N

E

E

active site: R123 (= R122), K145 (= K144), E187 (= E186), K228 (= K228), R239 (= R242), N243 (= N246), H246 (= H249), H250 (= H253), H263 (= H266)
binding nicotinamide-adenine-dinucleotide: N45 (= N44), L51 (= L50), D73 (= D73), E75 (= E75), K78 (= K78), G107 (= G106), G108 (= G107), V109 (= V108), D112 (= D111), T132 (= T131), T133 (= T132), L135 (= L134), D139 (= D138), K145 (= K144), F172 (≠ T171), T175 (= T174), L176 (= L175), E180 (= E179)

P56081 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
39% identity, 97% coverage: 4:357/364 of query aligns to 2:339/343 of P56081

query
sites
P56081

Q

Q

T

E

L

I

Q

L

V

I

A

P

L

L

G

K

D

E

R

K

S

N

Y

Y

P

K

I

V

H

F

I

L

G

G

S

E

G

-

L

-

Q

-

R

-

A

-

D

-

L

-

I

-

L

L

P

P

H

E

L

I

G

K

-

L

R

K

K

Q

K

K

A

A

V

L

I

I

V

I

S

S

N

D

E

S

T

I

V

V

A

A

P

G

L

L

Y

H

L

L

E

P

P

Y

L

L

A

L

A

E

L

R

L

L

R

K

A

A

N

L

G

E

V

V

A

R

V

V

S

C

Q

-

V

-

V

V

L

I

P

E

D
x
S

G
|
G

E
|
E

E
x
K

F
x
Y

K
|
K

D

N

W

F

P

H

T

S

L

L

N

E

R

R

I

I

F

L

D

N

A

N

L

A

L

F

E

E

S

M

R

Q

A

L

E

N

R

R

S

H

T

S

T

L

L

M

I

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

S

D

D

T

M

T

V

G

G

F

F

A

A

A

S

C

I

Y

Y

Q

F

R

R

G

G

M

I

P

D

F

F

I

I

Q

N

V

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

A

G

I

I

N

N

H

T

P

P

L

Y

G

G

K

K

N
|
N

M

L

I

I

G

G

A

S

F

F

Y

H

Q

Q

P

P

K

K

L

A

V

V

L

Y

A

M

D

D

I

L

D

A

T
x
F

L
|
L

D
x
K

T
|
T

L

L

P

E

E

K

R

R

E

E

L

F

K

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

P

K

Q

N

F

L

L

V

G

E

W

R

I

L

E

E

S

T

S

-

L

-

P

-

G

-

L

-

A

-

R

K

D

D

-

L

K

K

A

D

L

C

L

L

A

E

E

E

A

V

V

I

Y

F

R

Q

S

S

C

V

A

N

H

I

K

K

A

A

E

Q

V

V

A

V

R

Q

D

D

E

E

R

K

E

E

T

Q

G

N

E

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

T

K

G

E

L

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

A

N

E

D

L

L

S

A

A

L

R

S

L

L

G

G

W

M

I

L

G

T

P

L

A

K

E

E

V

Y

A

E

R

R

V

I

E

E

S

N

V

L

F

L

R

K

L

K

A

F

G

D

L

L

P

I

V

F

S

H

G

Y

P

K

D

I

L

L

G

D

V

L

E

Q

R

K

Y

F

L

Y

E

E

L

R

M

L

R

F

H

L

D

D

K

K

V

S

E

E

A

N

G

K

K

T

L

I

R

K

L

F

V

I

L

L

F

P

R

K

G

G

I

V

G

G

D

A

A

F

V

E

V

V

S

A

D

S

A

H

A

I

S

P

D

K

E

E

Q

T

I

I

A

I

A

K

A

V

I

L

SGEKYK 61:66 (≠ DGEEFK 73:78) binding NAD(+)
GV 95:96 (= GV 107:108) binding NAD(+)
TT 119:120 (= TT 131:132) binding NAD(+)
N142 (= N154) binding NAD(+)
FLKT 159:162 (≠ TLDT 171:174) binding NAD(+)

P9WPX9 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
42% identity, 92% coverage: 5:339/364 of query aligns to 9:338/362 of P9WPX9

query
sites
P9WPX9

T

T

L

V

Q

Q

V

V

A

A

L

V

G

-

D

D

R

P

S

P

Y

Y

P

P

I

V

H

V

I

I

G

G

S

T

G

G

L

L

Q

D

R

E

A

L

D

E

L

D

I

L

L

L

P

A

H

D

L

-

G

-

R

R

K

H

K

K

A

V

V

A

I

V

V

V

S

H

N
x
Q

E

P

T

G

V

L

A

A

P

E

L

T

Y

A

L

-

E

E

P

E

L

I

A

R

A

K

L

R

L

L

R

A

A

G

N

K

G

G

V

V

A

D

V

A

S

H

Q

R

V

I

V

E

L

I

P

P

D
|
D

G
x
A

E
|
E

E
x
A

F
x
G

K
|
K

D

D

W

L

P

P

T

V

L

V

N

G

R

F

I

I

F

W

D

E

A

V

L

L

L

G

E

R

S

I

R

G

A

I

E

G

R

R

S

K

T

D

T

A

L

L

I

V

A

S

L

L

G

G

G
|
G

V
x
A

I
x
A

G
x
T

D
|
D

T

V

T

A

G

G

F

F

A

A

C

T

Y

W

Q

L

R

R

G

G

M

V

P

S

F

I

I

V

Q

H

V

L

P

P

T
|
T

L

L

S

G

Q

M

V

V

D

D

S

A

V

V

G

G

K
|
K

T

T

A

G

I

I

N

N

H

T

P

D

L

A

G

G

K

K

N

N

M

L

I

V

G

G

A

A

F

F

Y

H

Q

Q

P

P

K

L

L

A

V

V

L

L

A

V

D

D

I

L

D

A

T
|
T

L
|
L

D
x
Q

T
|
T

L

L

P

P

E

R

R

D

E

E

L

M

K

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

P

P

Q

V

F

I

L

L

G

D

W

L

I

I

E

E

S

A

S

D

L

P

P

Q

G

A

L

A

L

L

A

D

R

P

D

A

K

G

A

D

L

V

L

L

A

P

E

E

A

L

V

I

Y

R

R

R

S

A

C

I

A

T

H

V

K

K

A

A

E

E

V

V

A

A

R

A

D

D

E

E

R

K

E

E

T

S

G

E

E

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

T

R

G

R

L

E

G

R

Y

Y

G

R

V

-

W

W

L

R

H

H

G

G

E

A

A

A

V

V

A

S

A

V

G

G

T

L

V

V

M

F

A

A

E

E

L

L

S

A

A

R

R

L

L

A

G

G

W

R

I

L

G

D

P

D

A

A

E

T

V

A

A

Q

R

R

V

H

E

R

S

T

V

I

F

L

R

S

L

S

A

L

G

G

L

L

P

P

V

V

S

S

G

Y

P

D

D

P

L

D

G

A

V

L

E

P

R

Q

Y

L

L

L

E

E

L

I

M

M

R

A

H

G

D

D

K

K

V

T

E

R

A

A

G

G

K

V

L

L

R

R

L

F

V

V

L

V

F

L

R

D

G

G

I

L

Q45 (≠ N44) binding NAD(+)
DAEAGK 73:78 (≠ DGEEFK 73:78) binding NAD(+)
GAATD 107:111 (≠ GVIGD 107:111) binding NAD(+)
TT 131:132 (= TT 131:132) binding NAD(+)
K144 (= K144) binding NAD(+)
TLQT 171:174 (≠ TLDT 171:174) binding NAD(+)

3clhA Crystal structure of 3-dehydroquinate synthase (dhqs)from helicobacter pylori (see paper)
42% identity, 80% coverage: 8:300/364 of query aligns to 3:270/308 of 3clhA

query
sites
3clhA

V

I

A

P

L

L

G

K

D

E

R

K

S

N

Y

Y

P

K

I

V

H

F

I

L

G

G

S

E

G

-

L

-

Q

-

R

-

A

-

D

-

L

-

I

-

L

L

P

P

H

E

L

I

G

K

-

L

R

K

K

Q

K

K

A

A

V

L

I

I

V

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

P

Y

L

L

A

L

A

E

L

R

L

L

R

K

A

A

N

L

G

E

V

V

A

R

V

V

S

C

Q

-

V

-

V

V

L

I

P

E

D
x
S

G

G

E
|
E

E

K

F

Y

K
|
K

D

N

W

F

P

H

T

S

L

L

N

E

R

R

I

I

F

L

D

N

A

N

L

A

L

F

E

E

S

M

R

Q

A

L

E

N

R

R

S

H

T

S

T

L

L

M

I

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

S

D
|
D

T

M

T

V

G

G

F

F

A

A

A

S

C

I

Y

Y

Q

F

R
|
R

G

G

M

I

P

D

F

F

I

I

Q

N

V

I

P

P

T
|
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

A

G

I

I

N

N

H

T

P

P

L

Y

G

G

K

K

N
|
N

M

L

I

I

G

G

A

S

F

F

Y

H

Q

Q

P

P

K

K

L

A

V

V

L

Y

A

M

D

D

I

L

D

A

T

F

L

L

D

K

T
|
T

L
|
L

P

E

E

K

R

R

E
|
E

L

F

K

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

P

K

Q

N

F

L

L

V

G

E

W

R

I

L

E

E

S

T

S

-

L

-

P

-

G

-

L

-

A

-

R

K

D

D

-

L

K

K

A

D

L

C

L

L

A

E

E

E

A

V

V

I

Y

F

R

Q

S

S

C

V

A

N

H

I

K
|
K

A

A

E

Q

V

V

A

-

R

-

D

-

E

-

R

-

E

-

T

-

G

-

E

-

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

T

K

G

E

L

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

A

N

E

D

L

L

S

A

A

L

R

S

L

L

G

G

W

M

I

L

G

T

P

L

A

K

E

E

V

Y

A

E

R

R

V

I

E

E

S

N

V

L

F

L

R

K

active site: R107 (= R122), K129 (= K144), E171 (= E186), K207 (= K228), R212 (= R242), N216 (= N246), H219 (= H249), H223 (= H253), H236 (= H266)
binding nicotinamide-adenine-dinucleotide: I33 (≠ T46), V34 (= V47), H38 (≠ Y51), S58 (≠ D73), E60 (= E75), K63 (= K78), G91 (= G106), G92 (= G107), V93 (= V108), D96 (= D111), T116 (= T131), T117 (= T132), L119 (= L134), D123 (= D138), A124 (≠ S139), K129 (= K144), N139 (= N154), T159 (= T174), L160 (= L175), E164 (= E179)

6hqvA Pentafunctional arom complex from chaetomium thermophilum (see paper)
41% identity, 85% coverage: 30:340/364 of query aligns to 28:365/1555 of 6hqvA

query
sites
6hqvA

I

L

L

L

P

Q

H

T

L

L

G

P

R

S

K

S

K

T

A

Y

V

V

I

L

V

I

S

T

N
x
D

E

T

T
x
N

V
x
L

A

Y

P

T

L

T

Y

Y

L

V

E

P

P

P

L

F

A

Q

A

A

L

V

L

F

R

E

A

A

-

A

-

P

N

R

G

D

V

V

A

R

V

L

S

L

Q

T

V

Y

V

A

L

I

P

P

D

P

G

G

E
|
E

E

Y

F

S

K
|
K

D

S

W

R

P

E

T

T

L

K

N

A

R

E

I

I

F

E

D

D

A

W

L

M

L

L

E

S

S

H

R

A

A

C

E

T

R

R

S

D

T

T

T

V

L

I

I

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|