SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_020174079.1 NCBI__GCF_000385335.1:WP_020174079.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

Q9KNV2 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
46% identity, 61% coverage: 219:578/588 of query aligns to 1:352/361 of Q9KNV2

query
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Q9KNV2

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N41 (≠ D261) binding NAD(+)
DGEQYK 70:75 (≠ PGEGSK 290:295) binding NAD(+)
GVIGD 104:108 (≠ GVVGD 324:328) binding NAD(+)
TT 128:129 (≠ TS 348:349) binding NAD(+)
K141 (= K361) binding NAD(+)
KN 150:151 (= KN 370:371) binding NAD(+)
CLTT 168:171 (≠ SLET 388:391) binding NAD(+)

3okfA 2.5 angstrom resolution crystal structure of 3-dehydroquinate synthase (arob) from vibrio cholerae
46% identity, 61% coverage: 219:578/588 of query aligns to 2:351/360 of 3okfA

query
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3okfA

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active site: R120 (= R339), K142 (= K361), E184 (= E403), K226 (= K444), R238 (= R458), N242 (= N462), H245 (= H465), H249 (= H469), H262 (= H484)
binding nicotinamide-adenine-dinucleotide: N42 (≠ D261), L48 (≠ H267), D71 (≠ P290), E73 (= E292), K76 (= K295), G104 (= G323), G105 (= G324), V106 (= V325), D109 (= D328), T129 (= T348), T130 (≠ S349), L132 (= L351), D136 (= D355), T172 (= T391), L173 (= L392), E177 (= E396)

U3KRF2 3-dehydroquinate synthase, chloroplastic; EC 4.2.3.4 from Actinidia chinensis var. chinensis (Chinese soft-hair kiwi) (see paper)
44% identity, 60% coverage: 222:572/588 of query aligns to 84:431/445 of U3KRF2

query
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U3KRF2

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N122 (≠ D261) binding NAD(+)
DGE 153:155 (≠ PGE 290:292) binding NAD(+)
K158 (= K295) binding NAD(+)
GGVIGD 186:191 (≠ GGVVGD 323:328) binding NAD(+)
TT 211:212 (≠ TS 348:349) binding NAD(+)
K224 (= K361) binding NAD(+)
K233 (= K370) binding NAD(+)
TLNT 251:254 (≠ SLET 388:391) binding NAD(+)
K308 (= K444) binding NAD(+)

3zokA Structure of 3-dehydroquinate synthase from actinidia chinensis in complex with NAD (see paper)
44% identity, 60% coverage: 222:572/588 of query aligns to 4:351/365 of 3zokA

query
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3zokA

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V

D
|
D

S
|
S

S

S

V

V

G

G

K
|
K

T

T

G

G

I

I

N

N

S

H

P

R

Y

L

G

G

K
|
K

N

N

L

L

I

I

G

G

A

A

F

F

H

Y

Q

Q

P

P

S

Q

L

C

V

V

L

L

A

I

D

D

T

T

G

D

S

T

L

L

E

N

T
|
T

L
|
L

P

P

V

D

R

R

E
|
E

F

L

R

A

A

S

G

G

Y

L

A

A

E
|
E

I

V

V

V

K

K

Y

Y

G

G

L

L

I

I

N

R

D

D

L

A

A

N

L

F

F

F

D

E

W

W

L

Q

E

E

A

K

S

N

W

M

Q

P

E

A

V

L

F

M

A

A

-

R

G

D

G

P

E

S

A

A

R

L

S

A

R

Y

A

A

I

I

A

K

K

R

S

S

C

C

A

E

A

N

K
|
K

A

A

G

E

V

V

A

S

R

L

D

D

E

E

R

K

E
|
E

T

S

G

G

E

L

R
|
R

A

A

L

T

L

L

N
|
N

L

L

G

G

H
|
H

T

T

F

F

G

G

H
|
H

A

A

L

I

E

E

R

-

V

-

T

T

G

G

Y

F

D

G

G

Y

S

G

R

Q

L

W

V

L

H
|
H

G

G

E

E

G

A

V

V

A

A

I

A

G

G

M

M

A

V

C

M

A

A

F

V

R

D

F

M

S

S

A

Y

R

R

R

L

G

G

L

W

C

I

P

D

A

E

Q

S

D

I

A

V

E

N

R

R

V

A

A

H

L

N

H

I

L

L

K

Q

S

Q

V

A

G

K

L

L

P

P

T

T

R

A

F

P

R

P

D

E

I

T

A

-

G

-

W

-

D

-

A

M

G

T

A

V

E

E

Q

M

I

F

L

K

D

S

A

V

M

M

Y

A

Q

V

D

D

K

K

V

V

E

A

H

D

G

G

A

L

L

L

T

R

F

L

I

I

L

L

A

L

H

K

G

G

-

P

I

L

G

G

K

N

C

C

F

V

V

F

A

T

K

G

T

D

V

Y

D

D

active site: R122 (= R339), K144 (= K361), E186 (= E403), K228 (= K444), E238 (= E454), R242 (= R458), N246 (= N462), H249 (= H465), H253 (= H469), H266 (= H484)
binding glycine: K144 (= K361), K228 (= K444), R242 (= R458)
binding nicotinamide-adenine-dinucleotide: T44 (≠ N263), V45 (= V264), D73 (≠ P290), E75 (= E292), K78 (= K295), G106 (= G323), G107 (= G324), V108 (= V325), D111 (= D328), T131 (= T348), T132 (≠ S349), M134 (≠ L351), D138 (= D355), S139 (= S356), K144 (= K361), K153 (= K370), T174 (= T391), L175 (= L392), E179 (= E396), H266 (= H484)

6llaB Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+ and NAD (see paper)
42% identity, 61% coverage: 219:578/588 of query aligns to 2:356/363 of 6llaB

query
sites
6llaB

L

M

E

E

K

K

I

V

G

T

V

V

K

T

L

L

S

D

G

E

R

R

G

S

Y

Y

D

P

I

I

L

N

I

I

G

A

D

P

G

S

L

L

I

Y

E

Q

A

Q

G

-

D

D

H

A

I

F

K

W

R

P

L

L

A

T

P

A

G

G

A

Q

A

R

C

A

A

M

I

I

V

V

T

T

D

N

E

E

N

T

V
x
L

A

A

R

P

H

L

H

Y

L

L

P

H

A

K

L

I

E

Q

R

T

G

V

L

L

D

E

A

V

A

S

Q

G

I

V

K

K

H

V

A

D

K

S

I

I

V

L

A

P

P
x
D

G

G

E
|
E

G

Q

S

Y

K
|
K

T

S

Y

L

S

F

V

I

F

M

E

N

R

D

V

V

C

F

D

T

E

A

I

L

G

E

A

K

K

H

I

H

E

N

R

R

N

D

D

T

L

T

V

L

V

I

A

A

L

L

G

G

G
|
G

V
|
V

V

I

G

G

D
|
D

L

L

A

T

G

G

Y

F

A

A

S

S

V

Y

R

Q

R
|
R

G

G

M

V

R

R

F

F

I

I

Q

Q

I

V

P

P

T
|
T

S
x
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

I

V

N

N

S

H

P

P

Y

L

G

G

K

K

N

N

L

M

I

I

G

G

A

A

F

F

H

Y

Q

Q

P

P

S

A

L

S

V

V

L

V

A

I

D

D

T

L

G

D

S

C

L

L

E

K

T
|
T

L
|
L

P

P

V

K

R

R

E
|
E

F

L

R

S

A

S

G

G

Y

L

A

A

E
|
E

I

V

V

I

K

K

Y

Y

G

G

L

I

I

I

N

L

D

D

L

G

A

E

L

F

F

F

D

S

W

W

L

L

E

E

A

E

S

N

W

I

Q

D

E

A

V

L

F

M

A

A

-

L

G

D

G

N

E

Q

A

A

R

M

S

A

R

Y

A

C

I

I

A

R

K

R

S

C

C

C

A

E

A

L

K
|
K

A

A

G

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

L

I

E

E

R

A

V

E

T

M

G

G

Y

Y

D

-

G

-

S

G

R

V

L

W

V

L

H
|
H

G

G

E

E

G

A

V

V

A

A

I

A

G

G

M

M

A

V

C

M

A

A

F

A

R

K

F

T

S

A

A

E

R

L

R

I

G

G

L

Q

C

F

P

T

A

P

Q

E

D

Q

A

T

E

D

R

R

V

V

A

I

L

A

H

L

L

L

K

K

S

R

V

A

G

E

L

L

P

P

T

V

R

T

F

-

R

-

D

-

I

-

A

G

G

P

W

A

D

K

A

M

G

Q

A

P

E

D

Q

D

I

Y

L

L

D

P

A

H

M

M

Y

M

Q

R

D

D

K

K

V

V

E

M

H

G

G

G

A

K

L

L

T

H

F

L

I

I

L

L

A

P

H

T

G

T

I

I

G

G

K

H

C

S

F

E

V

M

A

R

K

S

T

D

V

V

D

D

P

A

G

S

E

T

V

V

L

T

A

A

active site: R121 (= R339), K143 (= K361), E185 (= E403), K227 (= K444), E237 (= E454), R242 (= R458), N246 (= N462), H249 (= H465), H253 (= H469), H266 (= H484)
binding magnesium ion: E185 (= E403), H249 (= H465), H266 (= H484)
binding nicotinamide-adenine-dinucleotide: L46 (≠ V264), D72 (≠ P290), E74 (= E292), K77 (= K295), G105 (= G323), G106 (= G324), V107 (= V325), D110 (= D328), T130 (= T348), T131 (≠ S349), L133 (= L351), D137 (= D355), K143 (= K361), T173 (= T391), L174 (= L392), E178 (= E396)

5eksA Structure of 3-dehydroquinate synthase from acinetobacter baumannii in complex with NAD
41% identity, 60% coverage: 219:572/588 of query aligns to 2:341/355 of 5eksA

query
sites
5eksA

L

M

E

Q

K

T

I

L

G

H

V

V

K

E

L

L

S

G

G

E

R

R

G

R

Y

Y

D

P

I

I

L

F

I

I

G

G

D

S

G

Q

L

L

I

-

E

-

A

-

G

-

D

D

H

P

I

K

K

Q

R

L

L

L

A

E

P

P

-

Y

-

I

-

H

G

G

A

Q

C

V

A

M

I

I

V

V

T

S

D
x
N

E

V

N

T

V
|
V

A

A

R

P

H

L

H

Y

L

L

P

S

A

H

L

Y

E

Q

R

E

G

A

L

L

D

E

A

S

A

L

Q

G

I

K

K

T

H

V

A

A

K

T

I

C

I

I

V

L

A

P

P
x
D

G

G

E
|
E

G

K

S

Y

K
|
K

T

D

Y

I

S

Q

V

H

F

L

E

N

R

L

V

I

C

F

D

D

E

A

I

L

G

E

A

A

K

G

I

F

E

N

R

R

N

D

D

C

L

T

V

V

V

L

A

A

L

L

G

G

G
|
G

V
|
V

V

I

G

G

D
|
D

L

M

A

A

G

G

Y

F

A

A

A

S

A

A

S

C

V

F

R

Q

R
|
R

G

G

M

V

R

Y

F

F

I

V

Q

Q

I

V

P

P

T
|
T

S
x
T

L

L

A

S

Q

Q

V

V

D
|
D

S
|
S

S

S

V

V

G

G

K
|
K

T

T

G

G

I

I

N

N

S

H

P

P

Y

L

G

G

K

K

N

N

L

M

I

L

G

G

A

A

F

F

H

Q

Q

Q

P

P

S

Q

L

V

V

V

L

L

A

A

D

D

T

M

G

A

S

Q

L

L

E

N

T
|
T

L
|
L

P

P

V

E

R

R

E
|
E

F

L

R

S

A

A

G

G

Y

L

A

A

E
|
E

I

V

V

I

K

K

Y

Y

G

A

L

L

I

L

N

G

D

D

L

E

A

D

L

F

F

L

D

V

W

W

L

L

E

E

A

E

S

N

W

M

Q

D

E

G

V

L

F

V

A

A

-

R

G

D

G

A

E

D

A

L

R

L

S

A

R

E

A

A

I

V

A

Y

K

R

S

S

C

C

A

A

A

H

K
|
K

A

A

G

R

V

I

V

V

A

A

R

N

D

D

E

E

R

K

E

-

T

-

G

-

E

E

R
|
R

A

A

L

L

N
|
N

L

L

G

G

H
|
H

T

T

F

F

G

G

H
|
H

A

A

L

I

E

E

R

S

V

Y

T

L

G

G

Y

Y

D

-

G

G

S

T

R

W

L

L

V

-

H
|
H

G

G

E

E

G

A

V

V

A

A

I

T

G

G

M

M

A

V

C

M

A

A

F

A

R

D

F

L

S

S

A

Q

R

R

R

L

G

G

L

W

C

I

P

S

A

N

Q

E

D

D

A

V

E

A

R

R

V

T

A

K

L

K

H

I

L

I

K

Q

S

R

V

A

G

N

L

L

P

P

T

I

R

S

F

C

R

P

D

Q

I

I

A

P

G

-

W

-

D

-

A

-

G

-

A

L

E

D

Q

D

I

F

L

L

D

G

A

Y

M

M

Y

A

Q

H

D

D

K

K

V

V

E

Q

H

-

G

-

A

-

L

L

T

R

F

L

I

V

L

L

A

L

H

K

G

Q

I

L

G

G

K

Q

C

A

F

V

V

I

A

T

K

K

T

D

V

F

D

D

active site: R120 (= R339), K142 (= K361), E184 (= E403), K226 (= K444), R237 (= R458), N241 (= N462), H244 (= H465), H248 (= H469), H261 (= H484)
binding magnesium ion: E184 (= E403), H244 (= H465), H261 (= H484)
binding nicotinamide-adenine-dinucleotide: N42 (≠ D261), V45 (= V264), D71 (≠ P290), E73 (= E292), K76 (= K295), G104 (= G323), G105 (= G324), V106 (= V325), D109 (= D328), T129 (= T348), T130 (≠ S349), D136 (= D355), S137 (= S356), K142 (= K361), T172 (= T391), L173 (= L392), E177 (= E396)

6lk2A Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+, NAD and chlorogenic acid (see paper)
42% identity, 61% coverage: 219:578/588 of query aligns to 2:352/357 of 6lk2A

query
sites
6lk2A

L

M

E

E

K

K

I

V

G

T

V

V

K

T

L

L

S

D

G

E

R

R

G

S

Y

Y

D

P

I

I

L

N

I

I

G

A

D

P

G

S

L

L

I

Y

E

Q

A

Q

G

-

D

D

H

A

I

F

K

W

R

P

L

L

A

T

P

A

G

G

A

Q

A

R

C

A

A

M

I

I

V

V

T

T

D

N

E

E

N

T

V
x
L

A

A

R

P

H

L

H

Y

L

L

P

H

A

K

L

I

E

Q

R

T

G

V

L

L

D

E

A

V

A

S

Q

G

I

V

K

K

H

V

A

D

K

S

I

I

V

L

A

P

P
x
D

G

G

E
|
E

G

Q

S

Y

K
|
K

T

S

Y

L

S

F

V

I

F

M

E

N

R

D

V

V

C

F

D

T

E

A

I

L

G

E

A

K

K

H

I

H

E

N

R

R

N

D

D

T

L

T

V

L

V

I

A

A

L

L

G

G

G
|
G

V
|
V

V

I

G

G

D
|
D

L

L

A

T

G

G

Y

F

A

A

S

S

V

Y

R

Q

R
|
R

G

G

M

V

R

R

F

F

I

I

Q

Q

I

V

P

P

T
|
T

S
x
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

I

V

N

N

S

H

P

P

Y

L

G

G

K

K

N

N

L

M

I

I

G

G

A

A

F

F

H

Y

Q

Q

P

P

S

A

L

S

V

V

L

V

A

I

D

D

T

L

G

D

S
x
C

L

L

E

K

T
|
T

L
|
L

P
|
P

V

K

R

R

E
|
E

F

L

R

S

A

S

G

G

Y

L

A

A

E
|
E

I

V

V

I

K

K

Y

Y

G

G

L

I

I

I

N

L

D

D

L

G

A

E

L

F

F

F

D

S

W

W

L

L

E

E

A

E

S

N

W

I

Q

D

E

A

V

L

F

M

A

A

-

L

G

D

G

N

E

Q

A

A

R

M

S

A

R

Y

A

C

I

I

A

R

K

R

S

C

C

C

A

E

A

L

K
|
K

A

A

G

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

L

I

E

E

R

A

V

E

T

M

G

G

Y

Y

D

-

G

-

S

G

R

V

L

W

V

L

H
|
H

G

G

E

E

G

A

V

V

A

A

I

A

G

G

M

M

A

V

C

M

A

A

F

A

R

K

F

T

S

A

A

E

R

L

R

I

G

G

L

Q

C

F

P

T

A

P

Q

E

D

Q

A

T

E

D

R

R

V

V

A

I

L

A

H

L

L

L

K

K

S

R

V

A

G

E

L

L

P

P

T

V

R

T

F

-

R

-

D

-

I

-

A

G

G

P

W

A

D

K

A

M

G

Q

A

P

E

D

Q

D

I

Y

L

L

D

P

A

H

M

M

Y

M

Q

R

D

D

K

K

V

V

E

M

H

G

G

G

A

K

L

L

T

H

F

L

I

I

L

L

A

P

H

T

G

T

I

I

G

G

K

H

C

S

F

E

V

M

A

R

K

S

T

D

V

V

D

D

P

A

G

S

E

T

V

V

L

T

A

A

active site: R121 (= R339), K143 (= K361), E185 (= E403), K227 (= K444), R238 (= R458), N242 (= N462), H245 (= H465), H249 (= H469), H262 (= H484)
binding (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid: D137 (= D355), E185 (= E403), K227 (= K444), R238 (= R458), N242 (= N462), H245 (= H465), T246 (= T466), H249 (= H469), H262 (= H484)
binding magnesium ion: E185 (= E403), H245 (= H465), H262 (= H484)
binding nicotinamide-adenine-dinucleotide: L46 (≠ V264), D72 (≠ P290), E74 (= E292), K77 (= K295), G105 (= G323), G106 (= G324), V107 (= V325), D110 (= D328), T130 (= T348), T131 (≠ S349), L133 (= L351), D137 (= D355), S138 (= S356), C170 (≠ S388), T173 (= T391), L174 (= L392), P175 (= P393), E178 (= E396)

P56081 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
37% identity, 61% coverage: 219:577/588 of query aligns to 1:335/343 of P56081

query
sites
P56081

L

M

E

Q

K

E

I

I

G

L

V

I

K

P

L

L

S

K

G

E

R

K

G

N

Y

Y

D

K

I

V

L

F

I

L

G

G

D

E

G

-

L

-

I

-

E

-

A

-

G

-

D

-

H

-

I

L

K

P

R

E

L

I

A

K

P

L

G

K

A

Q

A

K

C

A

A

L

I

I

V

I

T

S

D

D

E

S

N

I

V

V

A

A

R

G

H

L

H

H

L

L

P

P

A

Y

L

L

E

L

R

E

G

R

L

L

D

K

A

A

A

L

Q

E

I

V

K

R

H

V

A

C

K

-

I

-

I

V

V

I

A

E

P
x
S

G
|
G

E
|
E

G
x
K

S
x
Y

K
|
K

T

N

Y

F

S

H

V

S

F

L

E

E

R

R

V

I

C

L

D

N

E

N

I

A

I

F

G

E

A

M

K

Q

I

L

E

N

R

R

N

H

D

S

L

L

V

M

V

I

A

A

L

L

G

G

G
|
G

V
|
V

V

I

G

S

D

D

L

M

A

V

G

G

Y

F

A

A

A

S

S

I

V

Y

R

F

R

R

G

G

M

I

R

D

F

F

I

I

Q

N

I

I

P

P

T
|
T

S
x
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

I

I

N

N

S

T

P

P

Y

Y

G

G

K

K

N
|
N

L

L

I

I

G

G

A

S

F

F

H

H

Q

Q

P

P

S

K

L

A

V

V

L

Y

A

M

D

D

T

L

G

A

S
x
F

L
|
L

E
x
K

T
|
T

L

L

P

E

V

K

R

R

E

E

F

F

R

Q

A

A

G

G

Y

V

A

A

E

E

I

I

V

I

K

K

Y

M

G

A

L

V

I

C

N

F

D

D

L

K

A

N

L

L

F

V

D

E

W

R

L

L

E

E

A

T

S

K

W

D

Q

L

E

K

V

-

F

-

A

-

G

-

E

D

A

C

R

L

S

E

R

E

A

V

I

I

A

F

K

Q

S

S

C

V

A

N

A

I

K

K

A

A

G

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

L

I

E

E

R

K

V

E

T

T

G

D

Y

Y

D

E

G

-

S

-

R

R

L

F

V

L

H

H

G

G

E

E

G

A

V

I

A

A

I

I

G

G

M

M

A

R

C

M

A

A

F

N

R

D

F

L

S

A

A

L

R

S

R

L

G

G

L

M

C

L

P

T

A

L

Q

K

D

E

A

Y

E

E

R

R

V

I

A

E

L

N

H

L

L

L

K

K

S

K

V

F

G

D

L

L

P

I

T

F

R

H

F

Y

R

K

D

I

I

L

A

-

G

-

W

-

D

-

A

-

G

D

A

L

E

Q

Q

K

I

F

L

Y

D

E

A

R

M

L

Y

F

Q

L

D

D

K

K

V

S

E

E

H

N

G

K

A

T

L

I

T

K

F

F

I

I

L

L

A

P

H

K

G

G

I

V

G

G

K

A

C

F

F

E

V

V

A

A

K

S

T

H

V

I

D

-

P

P

G

K

E

E

V

T

L

I

SGEKYK 61:66 (≠ PGEGSK 290:295) binding NAD(+)
GV 95:96 (= GV 324:325) binding NAD(+)
TT 119:120 (≠ TS 348:349) binding NAD(+)
N142 (= N371) binding NAD(+)
FLKT 159:162 (≠ SLET 388:391) binding NAD(+)

Q5NFS1 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
40% identity, 58% coverage: 230:569/588 of query aligns to 14:345/359 of Q5NFS1

query
sites
Q5NFS1

G

S

Y

Y

D

N

I

I

L

I

I

V

G

-

D

D

G

S

L

V

I

L

E

D

E

F

A

S

G

-

D

-

H

H

I

I

K

L

R

E

L

Y

A

V

P

T

G

N

A

K

A

Q

C

V

A

L

I

V

V

V

T

T

D
x
N

E

T

N

T

V

V

A

A

R

K

H

L

H

Y

L

L

P

T

A

K

L

F

E

L

R

A

G

A

L

L

-

V

D

D

A

D

A

L

Q

D

I

V

K

R

H

T

A

C

K

-

I

-

I

I

V

L

A

E

P
x
D

G
|
G

E
|
E

G
x
Q

S
x
Y

K
|
K

T

S

Y

Q

S

Q

V

S

F

L

E

D

R

K

V

I

C

L

D

S

E

T

I

L

G

E

A

N

K

H

I

F

E

T

R

R

N

N

D

S

L

T

V

V

-

L

V

V

A

A

L

L

G

G

G
|
G

V
|
V

V
x
I

G
|
G

D
|
D

L

I

A

T

G

G

Y

F

A

A

S

I

V

Y

R

Q

R

R

G

G

M

I

R

D

F

F

I

I

Q

Q

I

I

P

P

T
|
T

S
x
T

L

L

A

S

Q

Q

V

V

D

D

S

S

V

V

G

G

K
|
K

T

T

G

A

I

I

N

N

S

H

P

Q

Y

L

G

G

K

K

N

N

L

M

I

I

G

G

A

A

F

F

H

Y

Q

Q

P

P

S

K

L

V

V

V

L

Y

A

T

D

S

T

I

G

E

S
x
F

L
x
Y

E
x
K

T
|
T

L

L

P

P

V

Q

R

R

E

E

F

Y

R

I

A

A

G

G

Y

M

A

A

E

E

I

V

V

V

K

K

Y

Y

G

A

L

F

I

I

N

S

D

K

L

-

A

D

L

F

F

Y

D

L

W

W

L

L

E

D

A

S

S

N

W

R

Q

D

E

K

V

I

F

L

A

A

G

K

G

D

E

S

A

V

R

T

-

L

S

I

R

E

A

M

I

V

A

K

K

R

S

S

C

C

A

Q

A

I

K

K

A

A

G

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

L

I

E

E

R

K

V

C

T

Q

G

N

Y

Y

D

R

G

G

S

-

R

-

L

L

V

K

H

H

G

G

E

E

G

A

V

V

A

G

I

V

G

G

M

M

A

A

C

Q

A

A

F

I

R

D

F

F

S

S

A

H

R

Y

R

L

G

G

L

L

C

I

P

S

A

Q

Q

Q

D

Q

A

A

E

K

R

D

V

F

A

N

L

D

H

F

L

I

K

V

S

S

V

F

G

G

L

I

P

S

T

I

R

D

F

F

R

P

D

N

I

-

A

-

G

-

W

-

D

D

A

I

G

C

A

Q

E

K

Q

E

I

F

L

L

D

E

A

A

M

M

Y

L

Q

L

D

D

K

K

V

N

E

S

H

N

G

K

A

E

L

L

T

K

F

F

I

I

L

L

A

I

H

E

G

N

I

I

G

G

K

S

C

L

F

S

V

L

A

Q

K

K

N42 (≠ D261) binding NAD(+)
DGEQYK 70:75 (≠ PGEGSK 290:295) binding NAD(+)
GVIGD 105:109 (≠ GVVGD 324:328) binding NAD(+)
TT 129:130 (≠ TS 348:349) binding NAD(+)
K142 (= K361) binding NAD(+)
FYKT 169:172 (≠ SLET 388:391) binding NAD(+)

5hvnA 3.0 angstrom crystal structure of 3-dehydroquinate synthase (arob) from francisella tularensis in complex with NAD.
39% identity, 58% coverage: 230:569/588 of query aligns to 17:340/354 of 5hvnA

query
sites
5hvnA

G

S

Y

Y

D

N

I

I

L

I

I

V

G

-

D

D

G

S

L

V

I

L

E

D

E

F

A

S

G

-

D

-

H

H

I

I

K

L

R

E

L

Y

A

V

P

T

G

N

A

K

A

Q

C

V

A

L

I

V

V

V

T

T

D
x
N

E

T

N

T

V

V

A

A

R

K

H
x
L

H

Y

L

L

P

T

A

K

L

F

E

L

R

A

G

A

L

L

-

V

D

D

A

D

A

L

Q

D

I

V

K

R

H

T

A

C

K

-

I

-

I

I

V

L

A

E

P
x
D

G

G

E
|
E

G

Q

S

Y

K
|
K

T

S

Y

Q

S

Q

V

S

F

L

E

D

R

K

V

I

C

L

D

S

E

T

I

L

G

E

A

N

K

H

I

F

E

T

R

R

N

N

D

S

L

T

V

V

-

L

V

V

A

A

L

L

G

G

G
|
G

V
|
V

V

I

G

G

D
|
D

L

I

A

T

G

G

Y

F

A

A

S

I

V

Y

R

Q

R
|
R

G

G

M

I

R

D

F

F

I

I

Q

Q

I

I

P

P

T
|
T

S
x
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

I

I

N

N

S

H

P

Q

Y

L

G

G

K

K

N

N

L

M

I

I

G

G

A

A

F

F

H

Y

Q

Q

P

P

S

K

L

V

V

V

L

Y

A

T

D

S

T

I

G

E

S
x
F

L

Y

E

K

T
|
T

L
|
L

P

P

V

Q

R

R

E
|
E

F

Y

R

I

A

A

G

G

Y

M

A

A

E
|
E

I

V

V

V

K

K

Y

Y

G

A

L

F

I

I

N

S

D

K

L

-

A

D

L

F

F

Y

D

L

W

W

L

L

E

D

A

S

S

N

W

R

Q

D

E

K

V

I

F

L

A

A

G

K

G

D

E

S

A

V

R

T

-

L

S

I

R

E

A

M

I

V

A

K

K

R

S

S

C

C

A

Q

A

I

K
|
K

A

A

G

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

L

I

E

E

R

K

V

C

T

Q

G

N

Y

Y

D

R

G

G

S

-

R

-

L

L

V

K

H
|
H

G

G

E

E

G

A

V

V

A

G

I

V

G

G

M

M

A

A

C

Q

A

A

F

I

R

D

F

F

S

S

A

H

R

Y

R

L

G

G

L

L

C

I

P

S

A

Q

Q

Q

D

Q

A

A

E

K

R

D

V

F

A

N

L

D

H

F

L

I

K

V

S

S

V

F

G

G

L

I

P

S

T

I

R

D

F

F

R

P

D

N

I

-

A

-

G

-

W

-

D

D

A

I

G

C

A

Q

E

K

Q

E

I

F

L

L

D

E

A

A

M

M

Y

L

Q

L

D

D

K

N

K

K

V

-

E

-

H

-

G

-

A

E

L

L

T

K

F

F

I

I

L

L

A

I

H

E

G

N

I

I

G

G

K

S

C

L

F

S

V

L

A

Q

K

K

active site: R123 (= R339), K145 (= K361), E187 (= E403), K228 (= K444), R239 (= R458), N243 (= N462), H246 (= H465), H250 (= H469), H263 (= H484)
binding nicotinamide-adenine-dinucleotide: N45 (≠ D261), L51 (≠ H267), D73 (≠ P290), E75 (= E292), K78 (= K295), G107 (= G323), G108 (= G324), V109 (= V325), D112 (= D328), T132 (= T348), T133 (≠ S349), L135 (= L351), D139 (= D355), K145 (= K361), F172 (≠ S388), T175 (= T391), L176 (= L392), E180 (= E396)

6hqvA Pentafunctional arom complex from chaetomium thermophilum (see paper)
36% identity, 57% coverage: 232:569/588 of query aligns to 12:371/1555 of 6hqvA

query
sites
6hqvA

D

D

I

I

L

I

I

V

G

D

D

H

G

G

L

I

-

W

I

L

E

N

E

F

A

V

G

A

D

H

H

D

I

L

K

L

R

Q

L

T

A

L

P

P

G

S

A

S

A

T

C

Y

A

V

I

L

V

I

T

T

D
|
D

E

T

N
|
N

V
x
L

A

Y

R

T

H

T

H

Y

L

V

P

P

A

P

L

F

E

Q

R

A

G

V

L

F

D

E

A

A

Q

A

I

P

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R

H

D

A

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K

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-

T

-

Y

-

A

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A

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P

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G

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E
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E

G

Y

S

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K

T

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E

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T

F

K

E

A

R

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E

D

D

E

W

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A

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K

A

I

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N

D

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T

L

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I

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A

L

L

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G

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D

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A

I

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G

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Y

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R

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G

M

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R

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F

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T

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x
T

L

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L

A

A

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M

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D

S
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S

S

S

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I

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K

T

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K

N

N

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T

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L

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P

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E

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E

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N

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H

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H

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A

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M

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A

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A

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A

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A

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D

D

A

V

M

L

Y

L

Q

Q

-

K

-

M

-

A

-

V

D

D

K

K

V

N

E

E

H

G

G

R

A

K

L

K

T

K

F

I

I

V

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L

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K

K

active site: R123 (= R339), K145 (= K361), E187 (= E403), K243 (= K444), E253 (= E454), R257 (= R458), N261 (= N462), H264 (= H465), H268 (= H469), H280 (= H484)
binding glutamic acid: D139 (= D355), K145 (= K361), E187 (= E403), K243 (= K444), R257 (= R458), H264 (= H465), H280 (= H484)
binding nicotinamide-adenine-dinucleotide: D42 (= D261), N44 (= N263), L45 (≠ V264), E76 (= E292), K79 (= K295), G107 (= G323), G108 (= G324), V109 (= V325), D112 (= D328), T132 (= T348), T133 (≠ S349), L135 (= L351), D139 (= D355), S140 (= S356), K145 (= K361), K154 (= K370), T175 (= T391), L176 (= L392), P177 (= P393), E180 (= E396), H280 (= H484)
binding zinc ion: E187 (= E403), H264 (= H465), H280 (= H484)

Sites not aligning to the query:

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

3clhA Crystal structure of 3-dehydroquinate synthase (dhqs)from helicobacter pylori (see paper)
38% identity, 54% coverage: 222:539/588 of query aligns to 1:291/308 of 3clhA

query
sites
3clhA

I

I

G

L

V

I

K

P

L

L

S

K

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E

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K

G

N

Y

Y

D

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L

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I

L

G

G

D

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G

-

L

-

I

-

E

-

A

-

G

-

D

-

H

-

I

L

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E

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L

G

K

A

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A

K

C

A

A

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D

D

E

S

N
x
I

V
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V

A

A

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H
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H

L

L

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A

Y

L

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L

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L

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K

A

A

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K

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I

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x
S

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E

G

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K
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Y

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H

V

S

F

L

E

E

R

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I

C

L

D

N

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N

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G

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D

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R

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x
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L

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x
A

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K

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T

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N

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E

I

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I

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K

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K

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R

A

A

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L

N
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N

L

Y

G

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H
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H

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T

F

F

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H

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K