SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_084572729.1 NCBI__GCF_000746085.1:WP_084572729.1 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, 60% coverage: 218:567/584 of query aligns to 4:346/361 of Q9KNV2

query
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Q9KNV2

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N41 (≠ D257) binding NAD(+)
DGEQYK 70:75 (≠ AGEESK 286:291) binding NAD(+)
GVIGD 104:108 (= GVIGD 320:324) binding NAD(+)
TT 128:129 (= TT 344:345) binding NAD(+)
K141 (= K357) binding NAD(+)
KN 150:151 (= KN 366:367) binding NAD(+)
CLTT 168:171 (≠ VLET 384:387) binding NAD(+)

3okfA 2.5 angstrom resolution crystal structure of 3-dehydroquinate synthase (arob) from vibrio cholerae
46% identity, 60% coverage: 218:567/584 of query aligns to 5:345/360 of 3okfA

query
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3okfA

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active site: R120 (= R335), K142 (= K357), E184 (= E399), K226 (= K440), R238 (= R454), N242 (= N458), H245 (= H461), H249 (= H465), H262 (= H480)
binding nicotinamide-adenine-dinucleotide: N42 (≠ D257), L48 (= L263), D71 (≠ A286), E73 (= E288), K76 (= K291), G104 (= G319), G105 (= G320), V106 (= V321), D109 (= D324), T129 (= T344), T130 (= T345), L132 (= L347), D136 (= D351), T172 (= T387), L173 (= L388), E177 (= E392)

U3KRF2 3-dehydroquinate synthase, chloroplastic; EC 4.2.3.4 from Actinidia chinensis var. chinensis (Chinese soft-hair kiwi) (see paper)
46% identity, 61% coverage: 212:568/584 of query aligns to 76:431/445 of U3KRF2

query
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U3KRF2

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N122 (≠ D257) binding NAD(+)
DGE 153:155 (≠ AGE 286:288) binding NAD(+)
K158 (= K291) binding NAD(+)
GGVIGD 186:191 (= GGVIGD 319:324) binding NAD(+)
TT 211:212 (= TT 344:345) binding NAD(+)
K224 (= K357) binding NAD(+)
K233 (= K366) binding NAD(+)
TLNT 251:254 (≠ VLET 384:387) binding NAD(+)
K308 (= K440) binding NAD(+)

3zokA Structure of 3-dehydroquinate synthase from actinidia chinensis in complex with NAD (see paper)
45% identity, 60% coverage: 216:568/584 of query aligns to 2:351/365 of 3zokA

query
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3zokA

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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

D

D

V

T

L

L

E

N

T
|
T

L
|
L

P

P

P

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

G

R

D

D

A

A

G

N

F

F

R

E

W

W

L

Q

E

E

A

K

N

N

W

M

R

P

G

A

L

L

F

M

T

A

G

R

G

D

A

P

E

S

R

A

V

L

-

A

H

Y

A

A

I

I

A

K

T

R

S

S

C

C

A

E

A

N

K
|
K

A

A

A

E

T

V

V

V

A

S

R

L

D

D

E

E

C

K

E
|
E

Q

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

T

I

G

A

F

G

G

Y

Y

D

-

G

-

G

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

V

L

G

G

L

W

C

I

S

D

E

E

A

S

D

I

Q

V

I

N

R

R

V

A

E

H

S

N

H

I

L

L

R

Q

E

Q

V

A

G

K

L

L

P

P

S

T

R

A

I

P

G

P

D

E

I

T

A

M

G

T

L

V

G

-

A

-

D

-

A

-

D

E

Q

M

I

F

V

K

D

S

A

V

M

M

H

A

Q

V

D

D

K

K

V

V

E

A

R

D

G

G

S

L

L

L

T

R

F

L

I

I

L

L

A

L

R

K

G

G

-

P

I

L

G

G

D

N

C

C

F

V

V

F

A

T

K

G

N

D

V

Y

D

D

active site: R122 (= R335), K144 (= K357), E186 (= E399), K228 (= K440), E238 (= E450), R242 (= R454), N246 (= N458), H249 (= H461), H253 (= H465), H266 (= H480)
binding glycine: K144 (= K357), K228 (= K440), R242 (= R454)
binding nicotinamide-adenine-dinucleotide: T44 (≠ N259), V45 (= V260), D73 (≠ A286), E75 (= E288), K78 (= K291), G106 (= G319), G107 (= G320), V108 (= V321), D111 (= D324), T131 (= T344), T132 (= T345), M134 (≠ L347), D138 (= D351), S139 (= S352), K144 (= K357), K153 (= K366), T174 (= T387), L175 (= L388), E179 (= E392), H266 (= H480)

5eksA Structure of 3-dehydroquinate synthase from acinetobacter baumannii in complex with NAD
45% identity, 60% coverage: 218:568/584 of query aligns to 5:341/355 of 5eksA

query
sites
5eksA

V

L

E

H

V

V

K

E

L

L

G

G

A

E

R

R

A

R

Y

Y

A

P

I

I

S

F

I

I

G

G

S

S

G

Q

L

L

I

-

A

-

E

D

A

P

G

K

N

Q

H

L

I

L

R

E

R

P

L

Y

A

I

P

H

A

G

A

Q

C

V

A

M

I

I

V

V

T

S

D
x
N

S

V

N

T

V
|
V

A

A

K

P

L

L

H

Y

L

L

P

S

A

H

L

Y

K

Q

A

E

A

A

L

L

D

E

A

S

A

L

G

G

L

K

R

T

H

V

S

A

T

T

V

C

I

I

V

L

A

P

A
x
D

G

G

E
|
E

E

K

S

Y

K
|
K

S

D

F

I

A

Q

V

H

F

L

A

N

E

L

V

I

C

F

D

D

A

A

L

L

A

E

A

A

R

G

L

F

E

N

R

R

G

D

D

C

L

T

I

V

V

L

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

L

M

A

A

G

G

F

F

A

A

A

S

A

A

T

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

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

K

P

H

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

D

A

V

Q

L

L

E

N

T
|
T

L
|
L

P

P

P

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

G

G

D

D

A

E

G

D

F

F

F

L

R

V

W

W

L

L

E

E

A

E

N

N

W

M

R

D

G

G

L

L

F

V

T

A

G

R

G

D

A

A

E

D

R

L

V

L

-

A

H

E

A

A

I

V

A

Y

T

R

S

S

C

C

A

A

A

H

K
|
K

A

A

A

R

T

I

V

V

A

A

R

N

D

D

E

E

C

-

E

-

Q

-

G

K

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

I

Y

A

L

G

G

Y

Y

D

-

G

-

G

G

R

T

L

W

V

L

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

V

L

G

G

L

W

C

I

S

S

E

N

A

E

D

D

Q

V

I

A

R

R

V

T

E

K

S

K

H

I

L

I

R

Q

E

R

V

A

G

N

L

L

P

P

S

I

R

S

I

C

G

P

D

Q

I

I

A

P

G

-

L

-

G

-

A

-

D

-

A

L

D

D

Q

D

I

F

V

L

D

G

A

Y

M

M

H

A

Q

H

D

D

K

K

V

V

E

Q

R

-

G

-

S

-

L

L

T

R

F

L

I

V

L

L

A

L

R

K

G

Q

I

L

G

G

D

Q

C

A

F

V

V

I

A

T

K

K

N

D

V

F

D

D

active site: R120 (= R335), K142 (= K357), E184 (= E399), K226 (= K440), R237 (= R454), N241 (= N458), H244 (= H461), H248 (= H465), H261 (= H480)
binding magnesium ion: E184 (= E399), H244 (= H461), H261 (= H480)
binding nicotinamide-adenine-dinucleotide: N42 (≠ D257), V45 (= V260), D71 (≠ A286), E73 (= E288), K76 (= K291), G104 (= G319), G105 (= G320), V106 (= V321), D109 (= D324), T129 (= T344), T130 (= T345), D136 (= D351), S137 (= S352), K142 (= K357), T172 (= T387), L173 (= L388), E177 (= E392)

6llaB Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+ and NAD (see paper)
43% identity, 61% coverage: 218:572/584 of query aligns to 5:354/363 of 6llaB

query
sites
6llaB

V

V

E

T

V

V

K

T

L

L

G

D

A

E

R

R

A

S

Y

Y

A

P

I

I

S

N

I

I

G

A

S

P

G

S

L

L

I

Y

A

Q

E

Q

A

Q

G

-

N

D

H

A

I

F

R

W

R

P

L

L

A

T

P

A

A

G

A

Q

A

R

C

A

A

M

I

I

V

V

T

T

D

N

S

E

N

T

V
x
L

A

A

K

P

L

L

H

Y

L

L

P

H

A

K

L

I

K

Q

A

T

A

V

L

L

D

E

A

V

A

S

G

G

L

V

R

K

H

V

S

D

T

S

V

I

I

I

V

L

A

P

A
x
D

G

G

E
|
E

E

Q

S

Y

K
|
K

S

S

F

L

A

F

V

I

F

M

A

N

E

D

V

V

C

F

D

T

A

A

L

L

A

E

A

K

R

H

L

H

E

N

R

R

G

D

D

T

L

T

I

L

V

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

L

L

A

T

G

G

F

F

A

A

T

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

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

K

P

H

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

D

D

V

C

L

L

E

K

T
|
T

L
|
L

P

P

P

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

G

L

D

D

A

G

G

E

F

F

R

S

W

W

L

L

E

E

A

E

N

N

W

I

R

D

G

A

L

L

F

M

T

A

G

L

G

D

A

N

E

Q

R

A

V

M

-

A

H

Y

A

C

I

I

A

R

T

R

S

C

C

C

A

E

A

L

K
|
K

A

A

A

Q

T

V

V

V

A

A

R

A

D

D

E

E

C

K

E
|
E

-

T

Q

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

I

E

A

M

G

G

Y

Y

D

-

G

-

G

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

V

I

G

G

L

Q

C

F

S

T

E

P

A

E

D

Q

Q

T

I

D

R

R

V

V

E

I

S

A

H

L

L

L

R

K

E

R

V

A

G

E

L

L

P

P

S

-

R

-

I

-

G

-

D

-

I

V

A

T

G

G

L

P

G

A

-

K

A

M

D

Q

A

P

D

D

Q

D

I

Y

V

L

D

P

A

H

M

M

H

M

Q

R

D

D

K

K

V

V

E

M

R

G

G

G

S

K

L

L

T

H

F

L

I

I

L

L

A

P

R

T

G

T

I

I

G

G

D

H

C

S

F

E

V

M

A

R

K

S

N

D

V

V

D

D

A

A

G

S

E

T

I

V

active site: R121 (= R335), K143 (= K357), E185 (= E399), K227 (= K440), E237 (= E450), R242 (= R454), N246 (= N458), H249 (= H461), H253 (= H465), H266 (= H480)
binding magnesium ion: E185 (= E399), H249 (= H461), H266 (= H480)
binding nicotinamide-adenine-dinucleotide: L46 (≠ V260), D72 (≠ A286), E74 (= E288), K77 (= K291), G105 (= G319), G106 (= G320), V107 (= V321), D110 (= D324), T130 (= T344), T131 (= T345), L133 (= L347), D137 (= D351), K143 (= K357), T173 (= T387), L174 (= L388), E178 (= E392)

6lk2A Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+, NAD and chlorogenic acid (see paper)
43% identity, 61% coverage: 218:572/584 of query aligns to 5:350/357 of 6lk2A

query
sites
6lk2A

V

V

E

T

V

V

K

T

L

L

G

D

A

E

R

R

A

S

Y

Y

A

P

I

I

S

N

I

I

G

A

S

P

G

S

L

L

I

Y

A

Q

E

Q

A

Q

G

-

N

D

H

A

I

F

R

W

R

P

L

L

A

T

P

A

A

G

A

Q

A

R

C

A

A

M

I

I

V

V

T

T

D

N

S

E

N

T

V
x
L

A

A

K

P

L

L

H

Y

L

L

P

H

A

K

L

I

K

Q

A

T

A

V

L

L

D

E

A

V

A

S

G

G

L

V

R

K

H

V

S

D

T

S

V

I

I

I

V

L

A

P

A
x
D

G

G

E
|
E

E

Q

S

Y

K
|
K

S

S

F

L

A

F

V

I

F

M

A

N

E

D

V

V

C

F

D

T

A

A

L

L

A

E

A

K

R

H

L

H

E

N

R

R

G

D

D

T

L

T

I

L

V

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

L

L

A

T

G

G

F

F

A

A

T

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

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

K

P

H

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

D

D

V
x
C

L

L

E

K

T
|
T

L
|
L

P
|
P

P

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

G

L

D

D

A

G

G

E

F

F

R

S

W

W

L

L

E

E

A

E

N

N

W

I

R

D

G

A

L

L

F

M

T

A

G

L

G

D

A

N

E

Q

R

A

V

M

-

A

H

Y

A

C

I

I

A

R

T

R

S

C

C

C

A

E

A

L

K
|
K

A

A

A

Q

T

V

V

V

A

A

R

A

D

D

E

E

C

-

E

-

Q

-

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

I

E

A

M

G

G

Y

Y

D

-

G

-

G

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

V

I

G

G

L

Q

C

F

S

T

E

P

A

E

D

Q

Q

T

I

D

R

R

V

V

E

I

S

A

H

L

L

L

R

K

E

R

V

A

G

E

L

L

P

P

S

-

R

-

I

-

G

-

D

-

I

V

A

T

G

G

L

P

G

A

-

K

A

M

D

Q

A

P

D

D

Q

D

I

Y

V

L

D

P

A

H

M

M

H

M

Q

R

D

D

K

K

V

V

E

M

R

G

G

G

S

K

L

L

T

H

F

L

I

I

L

L

A

P

R

T

G

T

I

I

G

G

D

H

C

S

F

E

V

M

A

R

K

S

N

D

V

V

D

D

A

A

G

S

E

T

I

V

active site: R121 (= R335), K143 (= K357), E185 (= E399), K227 (= K440), R238 (= R454), N242 (= N458), H245 (= H461), H249 (= H465), H262 (= H480)
binding (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid: D137 (= D351), E185 (= E399), K227 (= K440), R238 (= R454), N242 (= N458), H245 (= H461), T246 (= T462), H249 (= H465), H262 (= H480)
binding magnesium ion: E185 (= E399), H245 (= H461), H262 (= H480)
binding nicotinamide-adenine-dinucleotide: L46 (≠ V260), D72 (≠ A286), E74 (= E288), K77 (= K291), G105 (= G319), G106 (= G320), V107 (= V321), D110 (= D324), T130 (= T344), T131 (= T345), L133 (= L347), D137 (= D351), S138 (= S352), C170 (≠ V384), T173 (= T387), L174 (= L388), P175 (= P389), E178 (= E392)

Q5NFS1 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
43% identity, 58% coverage: 241:576/584 of query aligns to 26:355/359 of Q5NFS1

query
sites
Q5NFS1

N

S

H

H

I

I

R

L

R

E

L

Y

A

V

P

T

A

N

A

K

A

Q

C

V

A

L

I

V

V

V

T

T

D
x
N

S

T

N

T

V

V

A

A

K

K

L

L

H

Y

L

L

P

T

A

K

L

F

K

L

A

A

L

L

-

V

D

D

A

D

A

L

G

D

L

V

R

R

H

-

S

-

T

T

V

C

I

I

V

L

A

E

A
x
D

G
|
G

E
|
E

E
x
Q

S
x
Y

K
|
K

S

S

F

Q

A

Q

V

S

F

L

A

D

E

K

V

I

C

L

D

S

A

T

L

L

A

E

A

N

R

H

L

F

E

T

R

R

G

N

D

S

-

T

L

V

I

L

V

V

A

A

L

L

G

G

G
|
G

V
|
V

I
|
I

G
|
G

D
|
D

L

I

A

T

G

G

F

F

A

A

T

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

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

K

Q

H

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

D

E

V
x
F

L
x
Y

E
x
K

T
|
T

L

L

P

P

P

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

G

S

D

-

A

K

G

D

F

F

F

Y

R

L

W

W

L

L

E

D

A

S

N

N

W

R

-

D

R

K

G

I

L

L

F

A

T

K

G

D

G

S

A

V

E

T

R

L

V

I

H

E

A

M

I

V

A

K

T

R

S

S

C

C

A

Q

A

I

K

K

A

A

A

Q

T

V

V

V

A

A

R

M

D

D

E

E

C

K

E

E

-

L

Q

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

I

C

A

Q

G

N

Y

Y

D

R

G

G

G

-

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

V

L

G

G

L

L

C

I

S

S

E

Q

A

Q

D

Q

Q

A

I

K

R

D

V

F

E

N

S

D

H

F

L

I

R

V

E

S

V

F

G

G

L

I

P

S

S

I

R

D

I

F

-

P

G

N

D

D

I

I

A

C

G

-

L

-

G

-

A

-

D

-

A

Q

D

K

Q

E

I

F

V

L

D

E

A

A

M

M

H

L

Q

L

D

D

K

K

V

N

E

S

R

N

G

K

S

E

L

L

T

K

F

F

I

I

L

L

A

I

R

E

G

N

I

I

G

G

D

S

C

L

F

S

V

L

A

Q

K

K

N

Q

V

-

D

S

A

K

G

N

E

E

I

L

R

E

G

Q

F

F

L

L

N42 (≠ D257) binding NAD(+)
DGEQYK 70:75 (≠ AGEESK 286:291) binding NAD(+)
GVIGD 105:109 (= GVIGD 320:324) binding NAD(+)
TT 129:130 (= TT 344:345) binding NAD(+)
K142 (= K357) binding NAD(+)
FYKT 169:172 (≠ VLET 384:387) binding NAD(+)

5hvnA 3.0 angstrom crystal structure of 3-dehydroquinate synthase (arob) from francisella tularensis in complex with NAD.
42% identity, 58% coverage: 241:576/584 of query aligns to 29:350/354 of 5hvnA

query
sites
5hvnA

N

S

H

H

I

I

R

L

R

E

L

Y

A

V

P

T

A

N

A

K

A

Q

C

V

A

L

I

V

V

V

T

T

D
x
N

S

T

N

T

V

V

A

A

K

K

L
|
L

H

Y

L

L

P

T

A

K

L

F

K

L

A

A

L

L

-

V

D

D

A

D

A

L

G

D

L

V

R

R

H

-

S

-

T

T

V

C

I

I

V

L

A

E

A
x
D

G

G

E
|
E

E

Q

S

Y

K
|
K

S

S

F

Q

A

Q

V

S

F

L

A

D

E

K

V

I

C

L

D

S

A

T

L

L

A

E

A

N

R

H

L

F

E

T

R

R

G

N

D

S

-

T

L

V

I

L

V

V

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

L

I

A

T

G

G

F

F

A

A

T

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

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

K

Q

H

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

D

E

V
x
F

L

Y

E

K

T
|
T

L
|
L

P

P

P

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

G

S

D

-

A

K

G

D

F

F

F

Y

R

L

W

W

L

L

E

D

A

S

N

N

W

R

-

D

R

K

G

I

L

L

F

A

T

K

G

D

G

S

A

V

E

T

R

L

V

I

H

E

A

M

I

V

A

K

T

R

S

S

C

C

A

Q

A

I

K
|
K

A

A

A

Q

T

V

V

V

A

A

R

M

D

D

E

T

C

-

E

-

Q

-

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

I

C

A

Q

G

N

Y

Y

D

R

G

G

G

-

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

V

L

G

G

L

L

C

I

S

S

E

Q

A

Q

D

Q

Q

A

I

K

R

D

V

F

E

N

S

D

H

F

L

I

R

V

E

S

V

F

G

G

L

I

P

S

S

I

R

D

I

F

-

P

G

N

D

D

I

I

A

C

G

-

L

-

G

-

A

-

D

-

A

Q

D

K

Q

E

I

F

V

L

D

E

A

A

M

M

H

L

Q

L

D

D

K

N

K

K

V

-

E

-

R

-

G

-

S

E

L

L

T

K

F

F

I

I

L

L

A

I

R

E

G

N

I

I

G

G

D

S

C

L

F

S

V

L

A

Q

K

K

N

Q

V

-

D

S

A

K

G

N

E

E

I

L

R

E

G

Q

F

F

L

L

active site: R123 (= R335), K145 (= K357), E187 (= E399), K228 (= K440), R239 (= R454), N243 (= N458), H246 (= H461), H250 (= H465), H263 (= H480)
binding nicotinamide-adenine-dinucleotide: N45 (≠ D257), L51 (= L263), D73 (≠ A286), E75 (= E288), K78 (= K291), G107 (= G319), G108 (= G320), V109 (= V321), D112 (= D324), T132 (= T344), T133 (= T345), L135 (= L347), D139 (= D351), K145 (= K357), F172 (≠ V384), T175 (= T387), L176 (= L388), E180 (= E392)

P56081 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
42% identity, 54% coverage: 254:567/584 of query aligns to 31:330/343 of P56081

query
sites
P56081

I

I

V

I

T

S

D

D

S

S

N

I

V

V

A

A

K

G

L

L

H

H

L

L

P

P

A

Y

L

L

K

L

A

E

A

R

L

L

D

K

A

A

A

L

G

E

L

V

R

R

H

-

S

-

T

V

V

C

I

V

V

I

A

E

A
x
S

G
|
G

E
|
E

E
x
K

S
x
Y

K
|
K

S

N

F

F

A

H

V

S

F

L

A

E

E

R

V

I

C

L

D

N

A

N

L

A

L

F

A

E

A

M

R

Q

L

L

E

N

R

R

G

H

D

S

L

L

I

M

V

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

S

D

D

L

M

A

V

G

G

F

F

A

A

A

S

T

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

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

K

P

H

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

D

A

V
x
F

L
|
L

E
x
K

T
|
T

L

L

P

E

P

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

G

F

D

D

A

K

G

N

F

L

F

V

R

E

W

R

L

L

E

E

A

T

N

K

W

D

R

-

G

-

L

-

F

L

T

K

G

D

G

C

A

L

E

E

R

E

V

V

H

-

A

-

I

I

A

F

T

Q

S

S

C

V

A

N

A

I

K

K

A

A

A

Q

T

V

V

V

A

V

R

Q

D

D

E

E

C

K

E

E

Q

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

I

E

A

T

G

D

Y

Y

D

E

G

-

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

V

L

G

G

L

M

C

L

S

T

E

L

A

K

D

E

Q

Y

I

E

R

R

V

I

E

E

S

N

H

L

L

L

R

K

E

K

V

F

G

D

L

L

P

I

S

F

R

H

I

Y

G

K

D

I

I

L

A

-

G

-

L

-

G

-

A

-

D

D

A

L

D

Q

Q

K

I

F

V

Y

D

E

A

R

M

L

H

F

Q

L

D

D

K

K

V

S

E

E

R

N

G

K

S

T

L

I

T

K

F

F

I

I

L

L

A

P

R

K

G

G

I

V

G

G

D

A

C

F

F

E

V

V

A

A

K

S

N

H

V

I

SGEKYK 61:66 (≠ AGEESK 286:291) binding NAD(+)
GV 95:96 (= GV 320:321) binding NAD(+)
TT 119:120 (= TT 344:345) binding NAD(+)
N142 (= N367) binding NAD(+)
FLKT 159:162 (≠ VLET 384:387) binding NAD(+)

6hqvA Pentafunctional arom complex from chaetomium thermophilum (see paper)
39% identity, 54% coverage: 248:565/584 of query aligns to 33:371/1555 of 6hqvA

query
sites
6hqvA

P

P

A

S

A

T

C

Y

A

V

I

L

V

I

T

T

D
|
D

S

T

N
|
N

V
x
L

A

Y

K

T

L

T

H

Y

L

V

P

P

A

P

L

F

K

Q

A

A

A

V

L

F

D

E

A

A

G

A

-

P

-

R

-

D

L

V

R

R

H

L

S

L

T

T

V

Y

I

A

V

I

A

P

G

G

E
|
E

E

Y

S

S

K
|
K

S

S

F

R

A

E

V

T

F

K

A

A

E

E

V

I

C

E

D

D

A

W

L

M

L

L

A

S

A

H

R

A

L

C

E

T

R

R

G

D

D

T

L

V

I

I

V

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

L

M

A

I

G

G

F

Y

A

V

A

A

T

T

V

F

R

M

R
|
R

G

G

M

V

R

R

F

F

I

V

Q

Q

I

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

I

I

N

D

S

T

K

P

H

M

G

G

K
|
K

N

N

L

L

I

I

G

G

A

A

F

F

H

W

Q

Q

P

P

S

R

L

R

V

I

L

Y

A

I

D

D

T

L

D

A

V

F

L

L

E

E

T
|
T

L
|
L

P
|
P

P

V

R

R

E
|
E

F

F

R

I

A

N

G

G

Y

M

A

A

E
|
E

I

V

V

I

K

K

Y

T

G

A

L

A

I

I

G

W

D

N

A

E

G

T

F

E

F

F

R

T

W

A

L

L

E

E

A

E

N

N

W

A

R

A

G

A

L

I

F

L

T

-

G

-

A

-

E

E

R

A

V

V

H

R

A

S

I

K

A

A

T

S

S

S

C

P

A

A

-

R

-

L

-

A

-

P

-

I

-

R

-

H

-

I

-

L

-

K

-

R

-

I

-

V

-

L

-

G

-

S

-

A

-

R

-

V

K
|
K

A

A

A

E

T

V

V

V

A

S

R

A

D

D

E

E

C

R

E
|
E

Q

G

G

G

E

L

R
|
R

A

N

L

L

N
|
N

L

F

G

G

H
|
H

T

S

F

I

G

G

H
|
H

A

A

L

Y

E

E

R

A

I

I

A

L

G

-

Y

-

D

-

G

A

G

P

R

Q

L

V

V

L

H
|
H

G

G

E

E

G

C

V

V

A

A

I

I

G

G

M

M

A

V

C

K

A

E

F

A

R

E

F

L

S

A

A

R

R

Y

V

L

G

G

L

V

C

L

S

R

E

P

A

S

D

A

Q

V

I

A

R

R

V

L

E

T

S

K

H

L

L

I

R

A

E

S

V

Y

G

D

L

L

P

P

S

T

R

S

I

V

G

H

D

D

-

K

-

R

I

I

A

A

G

K

L

L

G

S

A

A

D

G

A

K

D

E

Q

C

I

P

V

V

D

D

A

V

M

L

H

L

Q

Q

-

K

-

M

-

A

-

V

D

D

K

K

V

N

E

E

R

G

G

R

S

K

L

K

T

K

F

I

I

V

L

L

A

L

R

S

G

A

I

I

G

G

D

K

C

T

F

Y

V

E

A

K

K

K

active site: R123 (= R335), K145 (= K357), E187 (= E399), K243 (= K440), E253 (= E450), R257 (= R454), N261 (= N458), H264 (= H461), H268 (= H465), H280 (= H480)
binding glutamic acid: D139 (= D351), K145 (= K357), E187 (= E399), K243 (= K440), R257 (= R454), H264 (= H461), H280 (= H480)
binding nicotinamide-adenine-dinucleotide: D42 (= D257), N44 (= N259), L45 (≠ V260), E76 (= E288), K79 (= K291), G107 (= G319), G108 (= G320), V109 (= V321), D112 (= D324), T132 (= T344), T133 (= T345), L135 (= L347), D139 (= D351), S140 (= S352), K145 (= K357), K154 (= K366), T175 (= T387), L176 (= L388), P177 (= P389), E180 (= E392), H280 (= H480)
binding zinc ion: E187 (= E399), H264 (= H461), H280 (= H480)

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

1xagA Crystal structure of staphlyococcus aureus 3-dehydroquinate synthase (dhqs) in complex with zn2+, NAD+ and carbaphosphonate (see paper)
35% identity, 59% coverage: 224:568/584 of query aligns to 9:338/353 of 1xagA

query
sites
1xagA

A

S

R

N

A

N

Y

Y

A

P

I

I

S

Y

I

V

G

E

S

H

G

G

L

A

I

I

A

K

E

Y

A

I

G

G

N

T

H

Y

I

L

R

N

R

Q

L

F

A

D

P

Q

A

S

A

F

A

-

C

-

A

-

I

L

V

L

T

I

D
|
D

S

E

N
x
Y

V
|
V

A

N

K

Q

L
x
Y

H

F

L

A

P

N

A

K

L

F

K

D

A

D

A

I

L

L

D

S

A

Y

A

E

G

N

L

V

R

H

H

-

S

-

T

K

V

V

I

I

V

I

A

P

A

A

G

G

E
|
E

E

K

S

T

K
|
K

S

T

F

F

A

E

V

Q

F

Y

A

Q

E

E

V

T

C

L

D

E

A

Y

L

I

L

L

A

S

A

H

R

H

L

V

E

T

R

R

G

N

D

T

L

A

I

I

V

I

A

A

L

V

G

G

G
|
G

V
x
A

I

T

G

G

D
|
D

L

F

A

A

G

G

F

F

A

V

A

A

T

T

V

L

R

L

R
|
R

G

G

M

V

R

H

F

F

I

I

Q

Q

I

V

P

P

T
|
T

L

I

L
|
L

A

A

Q

H

V

-

D
|
D

S
|
S

S

S

V

V

G

G

K
|
K

T

V

G

G

I

I

N

N

S

S

K

K

H

Q

G

G

K
|
K

N
|
N

L

L

I

I

G

G

A

A

F

F

H

Y

Q

R

P

P

S

T

L

A

V

V

L

I

A

Y

D

D

T

L

D

D

V

F

L

L

E

K

T
|
T

L
|
L

P

P

P

F

R

K

E
x
Q

F

I

R

L

A

S

G

G

Y

Y

A

A

E
|
E

I

V

V

Y

K

K

Y

H

G

A

L

L

I

L

G

N

D

G

A

E

G

S

F

A

F

T

R

Q

W

D

L

I

E

E

A

Q

N

H

W

F

-

K

-

D

R

R

G

E

L

I

F

L

T

Q

G

S

G

L

A

N

E

G

R

M

V

D

H

K

A

Y

I

I

A

A

T

K

S

G

C

I

A

E

A

T

K
|
K

A

L

A

D

T

I

V

V

A

V

R

A

D

D

E

E

C

K

E
|
E

Q

Q

G

G

E

V

R
|
R

A

K

L

F

L
|
L

N
|
N

L

L

G

G

H
|
H

T

T

F

F

G

G

H
|
H

A

A

L

V

E

E

R

Y

I

Y

A

H

G

-

Y

-

D

-

G

-

R

K

L

I

V

P

H
|
H

G

G

E

H

G

A

V

V

A

M

I

V

G

G

M

I

A

I

C

Y

A

Q

F

F

R

-

F

I

S

V

A

A

R

N

V

A

G

L

L

F

C

D

S

S

E

K

A

H

D

D

Q

I

I

S

R

H

V

Y

E

I

S

Q

H

Y

L

L

R

I

E

Q

V

L

G

G

L

Y

P

P

-

L

S

D

R

M

I

I

G

T

D

D

I

L

A

-

G

-

L

-

G

-

A

-

D

D

A

F

D

E

Q

T

I

L

V

Y

D

Q

A

Y

M

M

H

L

Q

S

D

D

K
|
K

K

K