SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011815043.1 NCBI__GCF_000015585.1:WP_011815043.1 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)
56% identity, 97% coverage: 6:350/354 of query aligns to 86:439/445 of U3KRF2

query
sites
U3KRF2

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N122 (= N41) binding NAD(+)
DGE 153:155 (= DGE 66:68) binding NAD(+)
K158 (= K71) binding NAD(+)
GGVIGD 186:191 (≠ GGVVGD 99:104) binding NAD(+)
TT 211:212 (= TT 124:125) binding NAD(+)
K224 (= K137) binding NAD(+)
K233 (= K146) binding NAD(+)
TLNT 251:254 (≠ VLAT 164:167) binding NAD(+)
K308 (= K221) binding NAD(+)

3zokA Structure of 3-dehydroquinate synthase from actinidia chinensis in complex with NAD (see paper)
56% identity, 97% coverage: 6:350/354 of query aligns to 6:359/365 of 3zokA

query
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3zokA

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active site: R122 (= R115), K144 (= K137), E186 (= E179), K228 (= K221), E238 (= E231), R242 (= R235), N246 (= N239), H249 (= H242), H253 (= H246), H266 (= H259)
binding glycine: K144 (= K137), K228 (= K221), R242 (= R235)
binding nicotinamide-adenine-dinucleotide: T44 (= T43), V45 (= V44), D73 (= D66), E75 (= E68), K78 (= K71), G106 (= G99), G107 (= G100), V108 (= V101), D111 (= D104), T131 (= T124), T132 (= T125), M134 (≠ L127), D138 (= D131), S139 (= S132), K144 (= K137), K153 (= K146), T174 (= T167), L175 (= L168), E179 (= E172), H266 (= H259)

5eksA Structure of 3-dehydroquinate synthase from acinetobacter baumannii in complex with NAD
54% identity, 99% coverage: 1:351/354 of query aligns to 2:350/355 of 5eksA

query
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active site: R120 (= R115), K142 (= K137), E184 (= E179), K226 (= K221), R237 (= R235), N241 (= N239), H244 (= H242), H248 (= H246), H261 (= H259)
binding magnesium ion: E184 (= E179), H244 (= H242), H261 (= H259)
binding nicotinamide-adenine-dinucleotide: N42 (= N41), V45 (= V44), D71 (= D66), E73 (= E68), K76 (= K71), G104 (= G99), G105 (= G100), V106 (= V101), D109 (= D104), T129 (= T124), T130 (= T125), D136 (= D131), S137 (= S132), K142 (= K137), T172 (= T167), L173 (= L168), E177 (= E172)

Q9KNV2 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
55% identity, 98% coverage: 6:352/354 of query aligns to 6:356/361 of Q9KNV2

query
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Q9KNV2

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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

R

K

A

A

V

V

A

I

D

D

T

T

G

D

V
x
C

L
|
L

A
x
T

T
|
T

L

L

P

P

E

A

R

R

E

E

Y

F

N

A

A

A

G

G

L

M

A

A

E

E

V

V

V

I

K

K

Y

Y

G

G

L

I

I

I

R

Y

D

D

P

S

A

A

F

F

D

D

W

W

L

L

E

E

A

A

H

Q

V

M

D

E

A

A

L

L

R

Y

R

A

R

L

D

D

P

E

E

Q

A

A

L

L

A

T

H

Y

A

A

V

I

A

A

E

R

S

C

C

C

R

Q

N

I

K

K

A

A

E

E

V

V

A

A

A

Q

D

D

E

E

R

K

E

E

A

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

Y

H

T

M

D

G

Y

Y

C

G

T

N

W

W

L

L

H

H

G

G

E

E

A

A

V

V

A

S

A

A

G

G

M

T

V

V

M

M

A

A

R

K

M

T

S

A

V

Q

R

L

L

Q

G

G

W

L

L

I

Q

D

R

A

N

S

G

Q

L

F

E

E

R

R

T

I

I

L

A

A

L

I

L

L

E

K

A

K

F

A

G

H

L

L

P

P

T

V

R

R

P

T

P

P

A

E

-

N

I

M

P

T

E

F

A

A

R

D

F

F

R

M

E

Q

L

H

M

M

S

M

V

R

D

D

K

K

N

V

R

L

G

A

G

G

Q

E

L

L

R

R

L

L

V

V

L

L

L

P

R

T

S

S

V

I

G

G

-

T

D

S

A

A

V

V

T

K

G

G

E

-

F

-

A

V

P

P

E

E

A

A

L

V

T

I

D

A

T

Q

L

A

V

I

E

E

N41 (= N41) binding NAD(+)
DGEQYK 70:75 (≠ DGERYK 66:71) binding NAD(+)
GVIGD 104:108 (≠ GVVGD 100:104) binding NAD(+)
TT 128:129 (= TT 124:125) binding NAD(+)
K141 (= K137) binding NAD(+)
KN 150:151 (= KN 146:147) binding NAD(+)
CLTT 168:171 (≠ VLAT 164:167) binding NAD(+)

3okfA 2.5 angstrom resolution crystal structure of 3-dehydroquinate synthase (arob) from vibrio cholerae
55% identity, 98% coverage: 6:352/354 of query aligns to 7:355/360 of 3okfA

query
sites
3okfA

V

V

E

N

L

L

G

G

E

E

R

R

S

S

Y

Y

P

P

I

I

Y

S

I

I

G

G

D

A

G

G

V

L

L

F

D

A

Q

N

G

P

V

A

L

L

A

L

E

S

H

L

L

S

V

A

A

K

D

Q

R

K

A

V

L

V

L

I

V

V

S

T

N
|
N

E

H

T

T

V

V

A

A

P

P

L
|
L

Y

Y

A

A

-

P

-

A

-

I

E

S

R

L

L

L

A

D

V

H

P

I

G

G

A

C

E

Q

V

H

Q

A

S

L

V

L

T

E

L

L

H

P

D
|
D

G

G

E
|
E

R

Q

Y

Y

K
|
K

T

T

L

L

Q

E

T

T

C

F

E

N

Q

T

V

V

Y

M

D

S

A

F

L

L

I

L

E

E

G

H

R

N

F

Y

D

S

R

R

S

D

A

V

T

V

V

V

I

I

A

A

L

L

G

G

G
|
G

V
|
V

V

I

G

G

D
|
D

M

L

A

V

G

G

F

F

C

A

A

A

T

C

Y

Y

Q

Q

R
|
R

G

G

V

V

G

D

Y

F

I

I

Q

Q

V

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

R

K

A

A

V

V

A

I

D

D

T

T

G

D

V

C

L

L

A

T

T
|
T

L
|
L

P

P

E

A

R

R

E
|
E

Y

F

N

A

A

A

G

G

L

M

A

A

E
|
E

V

V

V

I

K

K

Y

Y

G

G

L

I

I

I

R

Y

D

D

P

S

A

A

F

F

D

D

W

W

L

L

E

E

A

A

H

Q

V

M

D

E

A

A

L

L

R

Y

R

A

R

L

D

D

P

E

E

Q

A

A

L

L

A

T

H

Y

A

A

V

I

A

A

E

R

S

C

C

C

R

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

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

Y

H

T

M

D

G

Y

Y

C

G

T

N

W

W

L

L

H
|
H

G

G

E

E

A

A

V

V

A

S

A

A

G

G

M

T

V

V

M

M

A

A

R

K

M

T

S

A

V

Q

R

L

L

Q

G

G

W

L

L

I

Q

D

R

A

N

S

G

Q

L

F

E

E

R

R

T

I

I

L

A

A

L

I

L

L

E

K

A

K

F

A

G

H

L

L

P

P

T

V

R

R

P

T

P

P

-

E

A

N

I

M

P

T

E

F

A

A

R

D

F

F

R

M

E

Q

L

H

M

M

S

M

V

R

D

D

K

K

N

V

R

L

G

A

G

G

Q

E

L

L

R

R

L

L

V

V

L

L

L

P

R

T

S

S

V

I

G

G

-

T

D

S

A

A

V

V

T

K

G

G

E

-

F

-

A

V

P

P

E

E

A

A

L

V

T

I

D

A

T

Q

L

A

V

I

E

E

active site: R120 (= R115), K142 (= K137), E184 (= E179), K226 (= K221), R238 (= R235), N242 (= N239), H245 (= H242), H249 (= H246), H262 (= H259)
binding nicotinamide-adenine-dinucleotide: N42 (= N41), L48 (= L47), D71 (= D66), E73 (= E68), K76 (= K71), G104 (= G99), G105 (= G100), V106 (= V101), D109 (= D104), T129 (= T124), T130 (= T125), L132 (= L127), D136 (= D131), T172 (= T167), L173 (= L168), E177 (= E172)

6llaB Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+ and NAD (see paper)
54% identity, 95% coverage: 1:335/354 of query aligns to 2:343/363 of 6llaB

query
sites
6llaB

M

M

R

E

T

K

Q

V

W

T

V

V

E

T

L

L

G

D

E

E

R

R

S

S

Y

Y

P

P

I

I

Y

N

I

I

G

A

D

P

G

S

V

L

L

Y

D

Q

Q

Q

G

Q

V

D

L

A

A

F

E

W

H

P

L

L

V

T

A

A

-

G

D

Q

R

R

A

A

L

M

L

I

V

V

S

T

N

N

E

E

T

T

V
x
L

A

A

P

P

L

L

Y

Y

A

L

E

H

R

K

-

I

-

Q

-

T

-

V

L

L

A

E

V

V

P

S

G

G

A

V

E

K

V

V

Q

D

S

S

V

I

T

I

L

L

H

P

D
|
D

G

G

E
|
E

R

Q

Y

Y

K
|
K

T

S

L

L

Q

F

T

I

C

M

E

N

Q

D

V

V

Y

F

D

T

A

A

L

L

I

L

E

E

G

K

R

H

F

H

D

N

R

R

S

D

A

T

T

T

V

L

I

I

A

A

L

L

G

G

G
|
G

V
|
V

V

I

G

G

D
|
D

M

L

A

T

G

G

F

F

C

A

A

A

T

S

Y

Y

Q

Q

R
|
R

G

G

V

V

G

R

Y

F

I

I

Q

Q

V

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

R

A

A

S

V

V

A

I

D

D

T

L

G

D

V

C

L

L

A

K

T
|
T

L
|
L

P

P

E

K

R

R

E
|
E

Y

L

N

S

A

S

G

G

L

L

A

A

E
|
E

V

V

V

I

K

K

Y

Y

G

G

L

I

I

I

R

L

D

D

P

G

A

E

F

F

D

S

W

W

L

L

E

E

A

E

H

N

V

I

D

D

A

A

L

L

R

M

R

A

R

L

D

D

P

N

E

Q

A

A

L

M

A

A

H

Y

A

C

V

I

A

R

E

R

S

C

C

C

R

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

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

Y

E

T

M

D

G

Y

Y

C

G

T

V

W

W

L

L

H
|
H

G

G

E

E

A

A

V

V

A

A

G

G

M

M

V

V

M

M

A

A

R

K

M

T

S

A

V

E

R

L

L

I

G

G

W

Q

L

F

Q

T

R

P

N

E

G

Q

L

T

E

D

R

R

T

V

I

I

A

A

L

L

E

K

A

R

F

A

G

E

L

L

P

P

T

V

R

T

P

G

P

P

A

A

I

K

-

M

-

Q

P

P

E

D

A

D

R

Y

F

L

R

P

E

H

L

M

M

M

S

R

V

-

D

D

K

K

N

V

R

M

G

G

Q

K

L

L

R

H

L

L

V

I

L

L

L

P

R

T

S

T

V

I

G

G

D

H

A

S

active site: R121 (= R115), K143 (= K137), E185 (= E179), K227 (= K221), E237 (= E231), R242 (= R235), N246 (= N239), H249 (= H242), H253 (= H246), H266 (= H259)
binding magnesium ion: E185 (= E179), H249 (= H242), H266 (= H259)
binding nicotinamide-adenine-dinucleotide: L46 (≠ V44), D72 (= D66), E74 (= E68), K77 (= K71), G105 (= G99), G106 (= G100), V107 (= V101), D110 (= D104), T130 (= T124), T131 (= T125), L133 (= L127), D137 (= D131), K143 (= K137), T173 (= T167), L174 (= L168), E178 (= E172)

6lk2A Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+, NAD and chlorogenic acid (see paper)
54% identity, 95% coverage: 1:335/354 of query aligns to 2:339/357 of 6lk2A

query
sites
6lk2A

M

M

R

E

T

K

Q

V

W

T

V

V

E

T

L

L

G

D

E

E

R

R

S

S

Y

Y

P

P

I

I

Y

N

I

I

G

A

D

P

G

S

V

L

L

Y

D

Q

Q

Q

G

Q

V

D

L

A

A

F

E

W

H

P

L

L

V

T

A

A

-

G

D

Q

R

R

A

A

L

M

L

I

V

V

S

T

N

N

E

E

T

T

V
x
L

A

A

P

P

L

L

Y

Y

A

L

E

H

R

K

-

I

-

Q

-

T

-

V

L

L

A

E

V

V

P

S

G

G

A

V

E

K

V

V

Q

D

S

S

V

I

T

I

L

L

H

P

D
|
D

G

G

E
|
E

R

Q

Y

Y

K
|
K

T

S

L

L

Q

F

T

I

C

M

E

N

Q

D

V

V

Y

F

D

T

A

A

L

L

I

L

E

E

G

K

R

H

F

H

D

N

R

R

S

D

A

T

T

T

V

L

I

I

A

A

L

L

G

G

G
|
G

V
|
V

V

I

G

G

D
|
D

M

L

A

T

G

G

F

F

C

A

A

A

T

S

Y

Y

Q

Q

R
|
R

G

G

V

V

G

R

Y

F

I

I

Q

Q

V

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

R

A

A

S

V

V

A

I

D

D

T

L

G

D

V
x
C

L

L

A

K

T
|
T

L
|
L

P
|
P

E

K

R

R

E
|
E

Y

L

N

S

A

S

G

G

L

L

A

A

E
|
E

V

V

V

I

K

K

Y

Y

G

G

L

I

I

I

R

L

D

D

P

G

A

E

F

F

D

S

W

W

L

L

E

E

A

E

H

N

V

I

D

D

A

A

L

L

R

M

R

A

R

L

D

D

P

N

E

Q

A

A

L

M

A

A

H

Y

A

C

V

I

A

R

E

R

S

C

C

C

R

E

N

L

K
|
K

A

A

E

Q

V

V

A

A

D

D

E

E

R

-

E

-

A

-

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

Y

E

T

M

D

G

Y

Y

C

G

T

V

W

W

L

L

H
|
H

G

G

E

E

A

A

V

V

A

A

G

G

M

M

V

V

M

M

A

A

R

K

M

T

S

A

V

E

R

L

L

I

G

G

W

Q

L

F

Q

T

R

P

N

E

G

Q

L

T

E

D

R

R

T

V

I

I

A

A

L

L

E

K

A

R

F

A

G

E

L

L

P

P

T

V

R

T

P

G

P

P

A

A

I

K

-

M

-

Q

P

P

E

D

A

D

R

Y

F

L

R

P

E

H

L

M

M

M

S

R

V

-

D

D

K

K

N

V

R

M

G

G

Q

K

L

L

R

H

L

L

V

I

L

L

L

P

R

T

S

T

V

I

G

G

D

H

A

S

active site: R121 (= R115), K143 (= K137), E185 (= E179), K227 (= K221), R238 (= R235), N242 (= N239), H245 (= H242), H249 (= H246), H262 (= H259)
binding (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid: D137 (= D131), E185 (= E179), K227 (= K221), R238 (= R235), N242 (= N239), H245 (= H242), T246 (= T243), H249 (= H246), H262 (= H259)
binding magnesium ion: E185 (= E179), H245 (= H242), H262 (= H259)
binding nicotinamide-adenine-dinucleotide: L46 (≠ V44), D72 (= D66), E74 (= E68), K77 (= K71), G105 (= G99), G106 (= G100), V107 (= V101), D110 (= D104), T130 (= T124), T131 (= T125), L133 (= L127), D137 (= D131), S138 (= S132), C170 (≠ V164), T173 (= T167), L174 (= L168), P175 (= P169), E178 (= E172)

Q5NFS1 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
46% identity, 91% coverage: 12:333/354 of query aligns to 14:339/359 of Q5NFS1

query
sites
Q5NFS1

S

S

Y

Y

P

N

I

I

Y

-

I

I

G

V

D

D

G

S

V

V

L

L

D

D

Q

F

G

S

V

H

L

I

A

L

E

E

H

Y

L

V

V

T

A

N

D

K

R

Q

A

V

L

L

L

V

V

V

S

T

N
|
N

E

T

T

T

V

V

A

A

P

K

L

L

Y

Y

A

L

E

T

R

K

L

F

A

L

-

A

-

L

V

V

P

D

G

D

A

L

E

D

V

V

Q

R

S

T

V

C

T

I

L

L

H

E

D
|
D

G
|
G

E
|
E

R
x
Q

Y
|
Y

K
|
K

T

S

L

Q

Q

Q

T

S

C

L

E

D

Q

K

V

I

Y

L

D

S

A

T

L

L

I

L

E

E

G

N

R

H

F

F

D

T

R

R

S

N

A

S

T

T

V

V

-

L

I

V

A

A

L

L

G

G

G
|
G

V
|
V

V
x
I

G
|
G

D
|
D

M

I

A

T

G

G

F

F

C

A

A

A

T

I

Y

Y

Q

Q

R

R

G

G

V

I

G

D

Y

F

I

I

Q

Q

V

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

R

K

A

V

V

V

V

Y

A

T

D

S

T

I

G

E

V
x
F

L
x
Y

A
x
K

T
|
T

L

L

P

P

E

Q

R

R

E

E

Y

Y

N

I

A

A

G

G

L

M

A

A

E

E

V

V

K

K

Y

Y

G

A

L

F

I

I

R

S

D

K

P

D

A

-

F

F

F

Y

D

L

W

W

L

L

E

D

A

S

H

N

V

R

D

D

A

K

L

I

R

L

R

A

R

K

D

D

P

S

E

V

A

T

L

L

A

I

H

E

A

M

V

V

A

K

E

R

S

S

C

C

R

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

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

Y

C

T

Q

D

N

Y

Y

C

R

T

G

W

L

L

K

H

H

G

G

E

E

A

A

V

V

A

G

A

V

G

G

M

M

V

A

M

Q

A

A

A

I

R

D

M

F

S

S

V

H

R

Y

L

L

G

G

W

L

L

I

Q

S

R

Q

N

Q

G

Q

L

A

E

K

R

D

T

F

I

N

A

D

L

F

L

I

E

V

A

S

F

F

G

G

L

I

P

S

T

I

R

D

-

F

P

P

P

N

A

D

I

I

P

C

E

Q

A

K

R

E

F

F

R

L

E

E

L

A

M

M

S

L

V

L

D

D

K

K

N

N

R

S

G

N

G

K

Q

E

L

L

R

K

L

F

V

I

L

L

L

I

R

E

S

N

V

I

G

G

N42 (= N41) binding NAD(+)
DGEQYK 70:75 (≠ DGERYK 66:71) binding NAD(+)
GVIGD 105:109 (≠ GVVGD 100:104) binding NAD(+)
TT 129:130 (= TT 124:125) binding NAD(+)
K142 (= K137) binding NAD(+)
FYKT 169:172 (≠ VLAT 164:167) binding NAD(+)

5hvnA 3.0 angstrom crystal structure of 3-dehydroquinate synthase (arob) from francisella tularensis in complex with NAD.
45% identity, 91% coverage: 12:333/354 of query aligns to 17:334/354 of 5hvnA

query
sites
5hvnA

S

S

Y

Y

P

N

I

I

Y

-

I

I

G

V

D

D

G

S

V

V

L

L

D

D

Q

F

G

S

V

H

L

I

A

L

E

E

H

Y

L

V

V

T

A

N

D

K

R

Q

A

V

L

L

L

V

V

V

S

T

N
|
N

E

T

T

T

V

V

A

A

P

K

L
|
L

Y

Y

A

L

E

T

R

K

L

F

A

L

-

A

-

L

V

V

P

D

G

D

A

L

E

D

V

V

Q

R

S

T

V

C

T

I

L

L

H

E

D
|
D

G

G

E
|
E

R

Q

Y

Y

K
|
K

T

S

L

Q

Q

Q

T

S

C

L

E

D

Q

K

V

I

Y

L

D

S

A

T

L

L

I

L

E

E

G

N

R

H

F

F

D

T

R

R

S

N

A

S

T

T

V

V

-

L

I

V

A

A

L

L

G

G

G
|
G

V
|
V

V

I

G

G

D
|
D

M

I

A

T

G

G

F

F

C

A

A

A

T

I

Y

Y

Q

Q

R
|
R

G

G

V

I

G

D

Y

F

I

I

Q

Q

V

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

R

K

A

V

V

V

V

Y

A

T

D

S

T

I

G

E

V
x
F

L

Y

A

K

T
|
T

L
|
L

P

P

E

Q

R

R

E
|
E

Y

Y

N

I

A

A

G

G

L

M

A

A

E
|
E

V

V

K

K

Y

Y

G

A

L

F

I

I

R

S

D

K

P

D

A

-

F

F

F

Y

D

L

W

W

L

L

E

D

A

S

H

N

V

R

D

D

A

K

L

I

R

L

R

A

R

K

D

D

P

S

E

V

A

T

L

L

A

I

H

E

A

M

V

V

A

K

E

R

S

S

C

C

R

Q

N

I

K
|
K

A

A

E

Q

V

V

A

A

A

M

D

D

E

-

R

-

E

-

A

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

Y

C

T

Q

D

N

Y

Y

C

R

T

G

W

L

L

K

H
|
H

G

G

E

E

A

A

V

V

A

G

A

V

G

G

M

M

V

A

M

Q

A

A

A

I

R

D

M

F

S

S

V

H

R

Y

L

L

G

G

W

L

L

I

Q

S

R

Q

N

Q

G

Q

L

A

E

K

R

D

T

F

I

N

A

D

L

F

L

I

E

V

A

S

F

F

G

G

L

I

P

S

T

I

R

D

-

F

P

P

P

N

A

D

I

I

P

C

E

Q

A

K

R

E

F

F

R

L

E

E

L

A

M

M

S

L

V

L

D

D

K

N

K

K

N

-

R

-

G

-

Q

E

L

L

R

K

L

F

V

I

L

L

L

I

R

E

S

N

V

I

G

G

active site: R123 (= R115), K145 (= K137), E187 (= E179), K228 (= K221), R239 (= R235), N243 (= N239), H246 (= H242), H250 (= H246), H263 (= H259)
binding nicotinamide-adenine-dinucleotide: N45 (= N41), L51 (= L47), D73 (= D66), E75 (= E68), K78 (= K71), G107 (= G99), G108 (= G100), V109 (= V101), D112 (= D104), T132 (= T124), T133 (= T125), L135 (= L127), D139 (= D131), K145 (= K137), F172 (≠ V164), T175 (= T167), L176 (= L168), E180 (= E172)

P56081 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
39% identity, 99% coverage: 1:350/354 of query aligns to 1:339/343 of P56081

query
sites
P56081

M

M

R

Q

T

E

Q

I

W

L

V

I

E

P

L

L

G

K

E

E

R

K

S

N

Y

Y

P

K

I

V

Y

F

I

L

G

G

D

E

G

-

V

-

L

-

D

-

Q

-

G

-

V

-

L

L

A

P

E

E

H

I

L

K

V

L

A

K

D

Q

R

K

A

A

L

L

L

I

V

I

S

S

N

D

E

S

T

I

V

V

A

A

-

G

-

L

-

H

-

L

P

P

L

Y

Y

L

A

L

E

E

R

R

L

L

A

-

V

-

P

K

G

A

A

L

E

E

V

V

Q

R

S

V

V

C

T

V

L

I

H

E

D
x
S

G
|
G

E
|
E

R
x
K

Y
|
Y

K
|
K

T

N

L

F

Q

H

T

S

C

L

E

E

Q

R

V

I

Y

L

D

N

A

N

L

A

I

F

E

E

G

M

R

Q

F

L

D

N

R

R

S

H

A

S

T

L

V

M

I

I

A

A

L

L

G

G

G
|
G

V
|
V

V

I

G

S

D

D

M

M

A

V

G

G

F

F

C

A

A

S

T

I

Y

Y

Q

F

R

R

G

G

V

I

G

D

Y

F

I

I

Q

N

V

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

R

K

A

A

V

V

V

Y

A

M

D

D

T

L

G

A

V
x
F

L
|
L

A
x
K

T
|
T

L

L

P

E

E

K

R

R

E

E

Y

F

N

Q

A

A

G

G

L

V

A

A

E

E

V

I

K

K

Y

M

G

A

L

V

I

C

R

F

D

D

P

K

A

N

F

L

F

V

D

E

W

R

L

L

E

E

A

T

H

-

V

-

D

-

A

-

L

-

R

-

R

K

R

D

D

L

P

K

E

D

A

C

L

L

A

E

H

E

A

V

V

I

A

F

E

Q

S

S

C

V

R

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

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

Y

E

T

T

D

D

Y

Y

C

E

T

R

W

F

L

L

H

H

G

G

E

E

A

A

V

I

A

A

A

I

G

G

M

M

V

R

M

M

A

A

A

N

R

D

M

L

S

A

V

L

R

S

L

L

G

G

W

M

L

L

Q

T

R

L

N

K

G

E

L

Y

E

E

R

R

T

I

I

E

A

N

L

L

E

K

A

K

F

F

G

D

L

L

P

I

T

F

R

H

P

Y

P

K

A

I

I

L

P

D

E

L

A

Q

R

K

F

F

R

Y

E

E

L

R

M

L

S

F

V

L

D

D

K

K

N

S

R

E

G

N

G

K

Q

T

L

I

R

K

L

F

V

I

L

L

L

P

R

K

S

G

V

V

G

G

D

A

A

F

V

E

V

V

T

A

G

S

E

H

F

I

A

P

P

K

E

E

A

T

L

I

T

I

D

K

T

V

L

L

SGEKYK 61:66 (≠ DGERYK 66:71) binding NAD(+)
GV 95:96 (= GV 100:101) binding NAD(+)
TT 119:120 (= TT 124:125) binding NAD(+)
N142 (= N147) binding NAD(+)
FLKT 159:162 (≠ VLAT 164:167) binding NAD(+)

3clhA Crystal structure of 3-dehydroquinate synthase (dhqs)from helicobacter pylori (see paper)
42% identity, 82% coverage: 6:297/354 of query aligns to 3:274/308 of 3clhA

query
sites
3clhA

V

I

E

P

L

L

G

K

E

E

R

K

S

N

Y

Y

P

K

I

V

Y

F

I

L

G

G

D

E

G

-

V

-

L

-

D

-

Q

-

G

-

V

-

L

L

A

P

E

E

H

I

L

K

V

L

A

K

D

Q

R

K

A

A

L

L

L

I

V

I

S

S

N

D

E

S

T
x
I

V
|
V

A

A

-

G

-

L

-
x
H

-

L

P

P

L

Y

Y

L

A

L

E

E

R

R

L

L

A

-

V

-

P

K

G

A

A

L

E

E

V

V

Q

R

S

V

V

C

T

V

L

I

H

E

D
x
S

G

G

E
|
E

R

K

Y

Y

K
|
K

T

N

L

F

Q

H

T

S

C

L

E

E

Q

R

V

I

Y

L

D

N

A

N

L

A

I

F

E

E

G

M

R

Q

F

L

D

N

R

R

S

H

A

S

T

L

V

M

I

I

A

A

L

L

G

G

G
|
G

V
|
V

V

I

G

S

D
|
D

M

M

A

V

G

G

F

F

C

A

A

S

T

I

Y

Y

Q

F

R
|
R

G

G

V

I

G

D

Y

F

I

I

Q

N

V

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

R

K

A

A

V

V

V

Y

A

M

D

D

T

L

G

A

V

F

L

L

A

K

T
|
T

L
|
L

P

E

E

K

R

R

E
|
E

Y

F

N

Q

A

A

G

G

L

V

A

A

E
|
E

V

I

K

K

Y

M

G

A

L

V

I

C

R

F

D

D

P

K

A

N

F

L

F

V

D

E

W

R

L

L

E

E

A

T

H

-

V

-

D

-

A

-

L

-

R

-

R

K

R

D

D

L

P

K

E

D

A

C

L

L

A

E

H

E

A

V

V

I

A

F

E

Q

S

S

C

V

R

N

N

I

K
|
K

A

A

E

Q

V

V

A

-

D

-

E

-

R

-

E

-

A

-

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

Y

E

T

T

D

D

Y

Y

C

E

T

R

W

F

L

L

H
|
H

G

G

E

E

A

A

V

I

A

A

A

I

G

G

M

M

V

R

M

M

A

A

A

N

R

D

M

L

S

A

V

L

R

S

L

L

G

G

W

M

L

L

Q

T

R

L

N

K

G

E

L

Y

E

E

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R

T

I

I

E

A

N

L

L

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A

K

F

F

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D

L

L

active site: R107 (= R115), K129 (= K137), E171 (= E179), K207 (= K221), R212 (= R235), N216 (= N239), H219 (= H242), H223 (= H246), H236 (= H259)
binding nicotinamide-adenine-dinucleotide: I33 (≠ T43), V34 (= V44), H38 (vs. gap), S58 (≠ D66), E60 (= E68), K63 (= K71), G91 (= G99), G92 (= G100), V93 (= V101), D96 (= D104), T116 (= T124), T117 (= T125), L119 (= L127), D123 (= D131), A124 (≠ S132), K129 (= K137), N139 (= N147), T159 (= T167), L160 (= L168), E164 (= E172)

1dqsA Crystal structure of dehydroquinate synthase (dhqs) complexed with carbaphosphonate, NAD+ and zn2+ (see paper)
40% identity, 90% coverage: 17:333/354 of query aligns to 13:362/381 of 1dqsA

query
sites
1dqsA

I

I

G

A

D

D

G

F

V

G

L

L

D

W

Q

R

G

N

V

Y

L

V

A

A

E

K

H

D

L

L

V

I

A

S

D

D

R

C

A

S

-

S

-

T

-

Y

L

V

L

L

V

V

S

T

N
x
D

E

T

T
x
N

V
x
I

A

G

P

S

L

I

Y

Y

A

T

E

P

R

S

L

F

-

E

-

A

-

F

-

R

-

K

-

R

-

A

-

E

A

I

V

T

P

P

G

S

A

P

E

R

V

L

Q

L

S

I

V

Y

T

N

L

R

H

P

D

P

G

G

E
|
E

R

V

Y

S

K
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K

T

S

L

R

Q

Q

T

T

C

K

E

A

Q

D

V

I

Y

E

D

D

A

W

L

M

I

L

E

S

G

Q

R

N

-

P

F

C

D

G

R

R

S

D

A

T

T

V

V

V

I

I

A

A

L

L

G

G

G
|
G

V
|
V

V

I

G

G

D
|
D

M

L

A

T

G

G

F

F

C

V

A

A

A

S

T

T

Y

Y

Q

M

R
|
R

G

G

V

V

G

R

Y

Y

I

V

Q

Q

V

V

P

P

T
|
T

L

L

L
|
L

A

A

Q

M

V

V

D
|
D

S
|
S

S

S

V

I

G

G

K
|
K

T

T

G

A

V

I

N

D

H

T

P

P

R

L

G

G

K
|
K

N
|
N

M

L

I

I

G

G

A

A

F

I

H

W

Q

Q

P

P

R

T

A

K

V

I

V

Y

A

I

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D

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E

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F

L

L

A

E

T
|
T

L

L

P
|
P

E

V

R

R

E
|
E

Y

F

N

I

A

N

G

G

L

M

A

A

E
|
E

V

V

V

I

K

K

Y

T

G

A

L

A

I

I

R

S

D

S

P

E

A

E

F

E

F

F

D

T

W

A

L

L

E

E

A

E

H

N

V

A

D

E

-

T

-

I

-

L

-

K

A

A

L

V

R

R

-

F

-

E

-

G

D

T

P

E

E

E

A

I

L

L

A

K

H

A

A

R

V

I

A

L

E

A

S

S

C

A

R

R

N

H

K
|
K

A

A

E

Y

V

V

A

S

A

A

D

D

E

E

R

R

E
|
E

A

G

G

G

E

L

R
|
R

A

N

L

L

L
|
L

N
|
N

L

W

G

G

H
|
H

T

S

F

I

G

G

H
|
H

A

A

I

I

E

E

T

A

Y

I

T

L

D

T

Y

-

C

P

T

Q

W

I

L

L

H
|
H

G

G

E

E

A

C

V

V

A

A

A

I

G

G

M

M

V

V

M

K

A

E

A

A

R

E

M

L

S

A

V

R

R

H

L

L

G

G

W

I

L

L

Q

K

R

G

N

V

G

A

L

V

E

S

R

R

T

I

I

V

A

K

L

C

L

L

E

A

A

A

F

Y

G

G

L

L

P

P

T

T

R

-

P

-

A

S

I

L

P

K

E

D

A

A

R

R

F

I

R

R

E

K

L

L

-

T

-

A

-

G

-

K

-

H

-

C

-

S

-

V

-

D

-

Q

-

L

-

M

-

F

-

N

M

M

S

A

V

L

D

D

K
|
K

K

K

N

N

R

D

G

G

G

P

Q

K

L

K

R

K

L

I

V

V

L

L

R

S

S

A

V

I

G

G

active site: R127 (= R115), K149 (= K137), E191 (= E179), K240 (= K221), E250 (= E231), R254 (= R235), N258 (= N239), H261 (= H242), H265 (= H246), H277 (= H259)
binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: D143 (= D131), K149 (= K137), N159 (= N147), E191 (= E179), K240 (= K221), R254 (= R235), L257 (= L238), N258 (= N239), H261 (= H242), H265 (= H246), H277 (= H259), K346 (= K317)
binding nicotinamide-adenine-dinucleotide: D41 (≠ N41), N43 (≠ T43), I44 (≠ V44), E78 (= E68), K81 (= K71), G111 (= G99), G112 (= G100), V113 (= V101), D116 (= D104), T136 (= T124), T137 (= T125), L139 (= L127), D143 (= D131), S144 (= S132), K158 (= K146), T179 (= T167), P181 (= P169), E184 (= E172), H277 (= H259)
binding zinc ion: E191 (= E179), H261 (= H242), H277 (= H259)

P9WPX9 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
43% identity, 79% coverage: 50:329/354 of query aligns to 57:335/362 of P9WPX9

query
sites
P9WPX9

E

K

R

R

L

L

A

A

V

G

P

K

G

G

A

V

E

D

V

A

Q

H

S

R

V

I

T

E

L

I

H

P

D
|
D

G
x
A

E
|
E

R
x
A

Y
x
G

K
|
K

T

D

L

L

Q

P

T

V

C

V

E

G

Q

F

V

I

Y

W

D

E

A

V

L

L