SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011989355.1 NCBI__GCF_000016505.1:WP_011989355.1 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)

7tm5B Crystal structure of shikimate-3-phosphate bound 3-phosphoshikimate 1- carboxyvinyltransferase from klebsiella pneumoniae
33% identity, 97% coverage: 1:412/426 of query aligns to 1:420/427 of 7tm5B

query
sites
7tm5B

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binding shikimate-3-phosphate: K22 (= K21), S23 (= S22), R27 (= R26), S169 (= S162), S170 (= S163), Q171 (= Q164), S197 (= S190), Y200 (= Y193), D313 (= D304), N336 (≠ R327), K340 (= K331)

7tm6A Crystal structure of shikimate-3-phosphate and glyphosate bound 3- phosphoshikimate 1-carboxyvinyltransferase from klebsiella pneumoniae
33% identity, 96% coverage: 4:412/426 of query aligns to 3:419/426 of 7tm6A

query
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7tm6A

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binding glyphosate: K21 (= K21), G95 (= G91), R123 (= R119), Q170 (= Q164), D312 (= D304), E340 (= E332), R343 (= R335), H384 (= H376), R385 (= R377)
binding shikimate-3-phosphate: S22 (= S22), R26 (= R26), T96 (≠ S92), S168 (= S162), S169 (= S163), Q170 (= Q164), S196 (= S190), Y199 (= Y193), D312 (= D304), N335 (≠ R327), K339 (= K331)

2pq9A E. Coli epsps liganded with (r)-difluoromethyl tetrahedral reaction intermediate analog (see paper)
33% identity, 97% coverage: 1:412/426 of query aligns to 1:420/427 of 2pq9A

query
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2pq9A

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G

D

F

Y

W

F

E

E

D

Q

F

L

active site: K22 (= K21), S23 (= S22), D49 (= D48), N94 (≠ Q89), P119 (≠ G114), R124 (= R119), D313 (= D304), E341 (= E332), H385 (= H376), R386 (= R377), K411 (= K403)
binding (3r,4s,5r)-5-[(1r)-1-carboxy-2,2-difluoro-1-(phosphonooxy)ethoxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid: K22 (= K21), S23 (= S22), R27 (= R26), G96 (= G91), T97 (≠ S92), R124 (= R119), S169 (= S162), S170 (= S163), Q171 (= Q164), S197 (= S190), Y200 (= Y193), D313 (= D304), N336 (≠ R327), K340 (= K331), R344 (= R335), H385 (= H376), R386 (= R377), K411 (= K403)

2aa9A Epsp synthase liganded with shikimate (see paper)
33% identity, 97% coverage: 1:412/426 of query aligns to 1:420/427 of 2aa9A

query
sites
2aa9A

M

M

K

E

Y

S

V

L

S

T

I

L

N

Q

P

P

-

I

T

A

K

R

L

V

E

D

G

G

Q

T

V

I

K

N

I

L

P

P

P

G

S

S

K
|
K

S
|
S

V

V

C

S

H

N

R
|
R

A

A

L

L

I

L

C

L

A

A

S

A

L

L

S

A

S

H

G

G

V

K

S

T

N

V

I

L

T

T

N

N

V

L

D

L

F

D

S

S

E

D

D
|
D

I

V

E

R

A

H

T

M

C

L

E

N

A

A

L

L

K

T

S

A

L

L

G

G

V

V

-

S

-

Y

I

T

I

L

E

S

K

A

G

D

N

R

N

T

S

R

L

C

S

E

I

I

K

I

G

G

N

N

S

G

N

G

L

P

Y

L

V

H

K

A

K

E

P

G

N

A

V

L

H

E

C

L

F

F

-

L

-

G

Q
x
N

S

A

G

G

S
x
T

T

A

L

M

R

R

F

-

L

-

I

-

P

P

L

L

A

A

T

A

L

L

-

C

-

L

-

G

G

S

E

N

E

D

I

I

T

V

F

L

T

T

G

G

E

E

G
x
P

K

R

L

M

V

K

E

E

R
|
R

P

P

L

I

N

G

V

H

Y

L

Y

V

D

D

I

A

F

L

K

R

-

L

-

G

S

G

Q

A

K

K

I

I

Y

T

Y

Y

K

L

T

E

E

Q

S

E

G

N

K

Y

L

P

P

P

L

L

T

R

I

L

N

Q

G

G

K

G

L

F

K

T

S

G

G

G

D

N

Y

V

R

D

V

V

R

D

G

G

D

S

V

V

S

S

Q
|
Q

F

F

V

L

T

T

G

A

L

L

F

M

A

T

L

A

P

P

L

L

L

A

S

P

G

E

D

D

S

T

K

V

I

I

E

R

I

I

T

K

T

G

E

D

L

L

E

V

S

S

K

K

S

P

Y
|
Y

V

I

D

D

I

I

T

T

I

L

D

N

M

L

L

M

G

K

K

T

F

F

G

G

V

V

C

E

V

I

D

E

G

N

S

Q

S

H

Y

Y

R

Q

E

Q

F

F

I

V

K

K

G

G

N

G

Q

Q

T

S

Y

Y

K

Q

E

S

V

P

D

G

C

T

N

Y

-

L

I

V

E

E

G

G

D

D

F

A

S

S

Q

S

V

A

A

S

F

Y

W

F

L

L

V

A

M

A

G

A

A

A

L

I

-

K

G

G

K

G

G

T

I

V

T

K

C

V

M

T

G

G

L

I

D

G

T

R

D

N

S

S

L

M

Q

Q

G

G

D

D

R

I

I

R

I

F

V

A

H

D

I

V

L

L

K

E

D

K

M

M

G

G

V

A

E

T

I

I

E

C

E

W

K

G

E

D

N

D

C

Y

I

I

E

S

V

C

N

T

P

R

S

G

K

E

T

L

T

N

G

A

V

I

V

D

I

M

D

D

V

M

S

N

Q

H

C

I

P

P

D
|
D

L

A

V

A

P

M

V

T

L

I

A

A

A

T

L

A

A

A

S

L

V

F

S

A

H

K

G

G

T

T

E

T

I

L

I

R

N

N

A

I

A

Y

R

N

L

W

R

R

I

V

K
|
K

E
|
E

S

T

D

D

R

R

L

L

K

F

A

A

I

M

T

A

S

T

E

E

L

L

N

R

K

K

I

V

G

G

A

A

E

E

V

V

I

E

E

E

K

G

E

H

D

D

S

Y

L

I

I

R

I

I

H

T

G

P

K

P

E

E

N

K

L

L

K

N

G

F

G

A

N

E

V

I

T

A

S

T

W

Y

K

N

D

D

H
|
H

R
|
R

I

M

A

A

M

M

A

C

L

F

A

S

A

L

V

V

S

A

S

L

K

S

C

D

T

T

E

-

P

P

L

V

V

T

I

I

E

L

G

D

A

P

E

K

C

C

V

T

K

A

K
|
K

S

T

Y

F

P

P

G

D

F

Y

W

F

E

E

D

Q

F

L

active site: K22 (= K21), S23 (= S22), D49 (= D48), N94 (≠ Q89), P119 (≠ G114), R124 (= R119), D313 (= D304), E341 (= E332), H385 (= H376), R386 (= R377), K411 (= K403)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: K22 (= K21), S23 (= S22), R27 (= R26), T97 (≠ S92), Q171 (= Q164), Y200 (= Y193), D313 (= D304), K340 (= K331)

1x8tA Epsps liganded with the (r)-phosphonate analog of the tetrahedral reaction intermediate (see paper)
33% identity, 97% coverage: 1:412/426 of query aligns to 1:420/427 of 1x8tA

query
sites
1x8tA

M

M

K

E

Y

S

V

L

S

T

I

L

N

Q

P

P

-

I

T

A

K

R

L

V

E

D

G

G

Q

T

V

I

K

N

I

L

P

P

P

G

S

S

K
|
K

S
|
S

V

V

C

S

H

N

R
|
R

A

A

L

L

I

L

C

L

A

A

S

A

L

L

S

A

S

H

G

G

V

K

S

T

N

V

I

L

T

T

N

N

V

L

D

L

F

D

S

S

E

D

D
|
D

I

V

E

R

A

H

T

M

C

L

E

N

A

A

L

L

K

T

S

A

L

L

G

G

V

V

-

S

-

Y

I

T

I

L

E

S

K

A

G

D

N

R

N

T

S

R

L

C

S

E

I

I

K

I

G

G

N

N

S

G

N

G

L

P

Y

L

V

H

K

A

K

E

P

G

N

A

V

L

H

E

C

L

F

F

-

L

-

G

Q
x
N

S

A

G

G

S
x
T

T

A

L

M

R

R

F

-

L

-

I

-

P

P

L

L

A

A

T

A

L

L

-

C

-

L

-

G

G

S

E

N

E

D

I

I

T

V

F

L

T

T

G

G

E

E

G
x
P

K

R

L

M

V

K

E

E

R
|
R

P

P

L

I

N

G

V

H

Y

L

Y

V

D

D

I

A

F

L

K

R

-

L

-

G

S

G

Q

A

K

K

I

I

Y

T

Y

Y

K

L

T

E

E

Q

S

E

G

N

K

Y

L

P

P

P

L

L

T

R

I

L

N

Q

G

G

K

G

L

F

K

T

S

G

G

G

D

N

Y

V

R

D

V

V

R

D

G

G

D

S

V

V

S
|
S

Q
|
Q

F

F

V

L

T

T

G

A

L

L

F

M

A

T

L

A

P

P

L

L

L

A

S

P

G

E

D

D

S

T

K

V

I

I

E

R

I

I

T

K

T

G

E

D

L

L

E

V

S
|
S

K

K

S

P

Y
|
Y

V

I

D

D

I

I

T

T

I

L

D

N

M

L

L

M

G

K

K

T

F

F

G

G

V

V

C

E

V

I

D

E

G

N

S

Q

S

H

Y

Y

R

Q

E

Q

F

F

I

V

K

K

G

G

N

G

Q

Q

T

S

Y

Y

K

Q

E

S

V

P

D

G

C

T

N

Y

-

L

I

V

E

E

G

G

D

D

F

A

S

S

Q

S

V

A

A

S

F

Y

W

F

L

L

V

A

M

A

G

A

A

A

L

I

-

K

G

G

K

G

G

T

I

V

T

K

C

V

M

T

G

G

L

I

D

G

T

R

D

N

S

S

L

M

Q

Q

G

G

D

D

R

I

I

R

I

F

V

A

H

D

I

V

L

L

K

E

D

K

M

M

G

G

V

A

E

T

I

I

E

C

E

W

K

G

E

D

N

D

C

Y

I

I

E

S

V

C

N

T

P

R

S

G

K

E

T

L

T

N

G

A

V

I

V

D

I

M

D

D

V

M

S

N

Q

H

C

I

P

P

D
|
D

L

A

V

A

P

M

V

T

L

I

A

A

A

T

L

A

A

A

S

L

V

F

S

A

H

K

G

G

T

T

E

T

I

L

I

R

N

N

A

I

A

Y

R
x
N

L

W

R

R

I

V

K
|
K

E
|
E

S

T

D

D

R
|
R

L

L

K

F

A

A

I

M

T

A

S

T

E

E

L

L

N

R

K

K

I

V

G

G

A

A

E

E

V

V

I

E

E

E

K

G

E

H

D

D

S

Y

L

I

I

R

I

I

H

T

G

P

K

P

E

E

N

K

L

L

K

N

G

F

G

A

N

E

V

I

T

A

S

T

W

Y

K

N

D

D

H
|
H

R
|
R

I

M

A

A

M

M

A

C

L

F

A

S

A

L

V

V

S

A

S

L

K

S

C

D

T

T

E

-

P

P

L

V

V

T

I

I

E

L

G

D

A

P

E

K

C

C

V

T

K

A

K
|
K

S

T

Y

F

P

P

G

D

F

Y

W

F

E

E

D

Q

F

L

active site: K22 (= K21), S23 (= S22), D49 (= D48), N94 (≠ Q89), P119 (≠ G114), R124 (= R119), D313 (= D304), E341 (= E332), H385 (= H376), R386 (= R377), K411 (= K403)
binding [3r-[3a,4a,5b(r*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid: K22 (= K21), S23 (= S22), R27 (= R26), T97 (≠ S92), S169 (= S162), S170 (= S163), Q171 (= Q164), S197 (= S190), Y200 (= Y193), D313 (= D304), N336 (≠ R327), K340 (= K331), R344 (= R335), H385 (= H376), R386 (= R377)

1x8rA Epsps liganded with the (s)-phosphonate analog of the tetrahedral reaction intermediate (see paper)
33% identity, 97% coverage: 1:412/426 of query aligns to 1:420/427 of 1x8rA

query
sites
1x8rA

M

M

K

E

Y

S

V

L

S

T

I

L

N

Q

P

P

-

I

T

A

K

R

L

V

E

D

G

G

Q

T

V

I

K

N

I

L

P

P

P

G

S

S

K
|
K

S
|
S

V

V

C

S

H

N

R
|
R

A

A

L

L

I

L

C

L

A

A

S

A

L

L

S

A

S

H

G

G

V

K

S

T

N

V

I

L

T

T

N

N

V

L

D

L

F

D

S

S

E

D

D
|
D

I

V

E

R

A

H

T

M

C

L

E

N

A

A

L

L

K

T

S

A

L

L

G

G

V

V

-

S

-

Y

I

T

I

L

E

S

K

A

G

D

N

R

N

T

S

R

L

C

S

E

I

I

K

I

G

G

N

N

S

G

N

G

L

P

Y

L

V

H

K

A

K

E

P

G

N

A

V

L

H

E

C

L

F

F

-

L

-

G

Q
x
N

S

A

G
|
G

S
x
T

T

A

L

M

R

R

F

-

L

-

I

-

P

P

L

L

A

A

T

A

L

L

-

C

-

L

-

G

G

S

E

N

E

D

I

I

T

V

F

L

T

T

G

G

E

E

G
x
P

K

R

L

M

V

K

E

E

R
|
R

P

P

L

I

N

G

V

H

Y

L

Y

V

D

D

I

A

F

L

K

R

-

L

-

G

S

G

Q

A

K

K

I

I

Y

T

Y

Y

K

L

T

E

E

Q

S

E

G

N

K

Y

L

P

P

P

L

L

T

R

I

L

N

Q

G

G

K

G

L

F

K

T

S

G

G

G

D

N

Y

V

R

D

V

V

R

D

G

G

D

S

V

V

S
|
S

Q
|
Q

F

F

V

L

T

T

G

A

L

L

F

M

A

T

L

A

P

P

L

L

L

A

S

P

G

E

D

D

S

T

K

V

I

I

E

R

I

I

T

K

T

G

E

D

L

L

E

V

S
|
S

K

K

S

P

Y
|
Y

V

I

D

D

I

I

T

T

I

L

D

N

M

L

L

M

G

K

K

T

F

F

G

G

V

V

C

E

V

I

D

E

G

N

S

Q

S

H

Y

Y

R

Q

E

Q

F

F

I

V

K

K

G

G

N

G

Q

Q

T

S

Y

Y

K

Q

E

S

V

P

D

G

C

T

N

Y

-

L

I

V

E

E

G

G

D

D

F

A

S

S

Q

S

V

A

A

S

F

Y

W

F

L

L

V

A

M

A

G

A

A

A

L

I

-

K

G

G

K

G

G

T

I

V

T

K

C

V

M

T

G

G

L

I

D

G

T

R

D

N

S

S

L

M

Q

Q

G

G

D

D

R

I

I

R

I

F

V

A

H

D

I

V

L

L

K

E

D

K

M

M

G

G

V

A

E

T

I

I

E

C

E

W

K

G

E

D

N

D

C

Y

I

I

E

S

V

C

N

T

P

R

S

G

K

E

T

L

T

N

G

A

V

I

V

D

I

M

D

D

V

M

S

N

Q

H

C

I

P

P

D
|
D

L

A

V

A

P

M

V

T

L

I

A

A

A

T

L

A

A

A

S

L

V

F

S

A

H

K

G

G

T

T

E

T

I

L

I

R

N

N

A

I

A

Y

R
x
N

L

W

R

R

I

V

K
|
K

E
|
E

S

T

D

D

R

R

L

L

K

F

A

A

I

M

T

A

S

T

E

E

L

L

N

R

K

K

I

V

G

G

A

A

E

E

V

V

I

E

E

E

K

G

E

H

D

D

S

Y

L

I

I

R

I

I

H

T

G

P

K

P

E

E

N

K

L

L

K

N

G

F

G

A

N

E

V

I

T

A

S

T

W

Y

K

N

D

D

H
|
H

R
|
R

I

M

A

A

M

M

A

C

L

F

A

S

A

L

V

V

S

A

S

L

K

S

C

D

T

T

E

-

P

P

L

V

V

T

I

I

E

L

G

D

A

P

E

K

C

C

V

T

K

A

K
|
K

S

T

Y

F

P

P

G

D

F

Y

W

F

E

E

D

Q

F

L

active site: K22 (= K21), S23 (= S22), D49 (= D48), N94 (≠ Q89), P119 (≠ G114), R124 (= R119), D313 (= D304), E341 (= E332), H385 (= H376), R386 (= R377), K411 (= K403)
binding [3r-[3a,4a,5b(s*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid: K22 (= K21), S23 (= S22), R27 (= R26), G96 (= G91), T97 (≠ S92), R124 (= R119), S169 (= S162), S170 (= S163), Q171 (= Q164), S197 (= S190), Y200 (= Y193), D313 (= D304), N336 (≠ R327), K340 (= K331), E341 (= E332), H385 (= H376), K411 (= K403)

1g6tA Structure of epsp synthase liganded with shikimate-3-phosphate (see paper)
33% identity, 97% coverage: 1:412/426 of query aligns to 1:420/427 of 1g6tA

query
sites
1g6tA

M

M

K

E

Y

S

V

L

S

T

I

L

N

Q

P

P

-

I

T

A

K

R

L

V

E

D

G

G

Q

T

V

I

K

N

I

L

P

P

P

G

S

S

K
|
K

S
|
S

V

V

C

S

H

N

R
|
R

A

A

L

L

I

L

C

L

A

A

S

A

L

L

S

A

S

H

G

G

V

K

S

T

N

V

I

L

T

T

N

N

V

L

D

L

F

D

S

S

E

D

D
|
D

I

V

E

R

A

H

T

M

C

L

E

N

A

A

L

L

K

T

S

A

L

L

G

G

V

V

-

S

-

Y

I

T

I

L

E

S

K

A

G

D

N

R

N

T

S

R

L

C

S

E

I

I

K

I

G

G

N

N

S

G

N

G

L

P

Y

L

V

H

K

A

K

E

P

G

N

A

V

L

H

E

C

L

F

F

-

L

-

G

Q
x
N

S

A

G
|
G

S
x
T

T

A

L

M

R

R

F

-

L

-

I

-

P

P

L

L

A

A

T

A

L

L

-

C

-

L

-

G

G

S

E

N

E

D

I

I

T

V

F

L

T

T

G

G

E

E

G
x
P

K

R

L

M

V

K

E

E

R
|
R

P

P

L

I

N

G

V

H

Y

L

Y

V

D

D

I

A

F

L

K

R

-

L

-

G

S

G

Q

A

K

K

I

I

Y

T

Y

Y

K

L

T

E

E

Q

S

E

G

N

K

Y

L

P

P

P

L

L

T

R

I

L

N

Q

G

G

K

G

L

F

K

T

S

G

G

G

D

N

Y

V

R

D

V

V

R

D

G

G

D

S

V

V

S
|
S

Q
|
Q

F

F

V

L

T

T

G

A

L

L

F

M

A

T

L

A

P

P

L

L

L

A

S

P

G

E

D

D

S

T

K

V

I

I

E

R

I

I

T

K

T

G

E

D

L

L

E

V

S
|
S

K

K

S

P

Y
|
Y

V

I

D

D

I

I

T

T

I

L

D

N

M

L

L

M

G

K

K

T

F

F

G

G

V

V

C

E

V

I

D

E

G

N

S

Q

S

H

Y

Y

R

Q

E

Q

F

F

I

V

K

K

G

G

N

G

Q

Q

T

S

Y

Y

K

Q

E

S

V

P

D

G

C

T

N

Y

-

L

I

V

E

E

G

G

D

D

F

A

S

S

Q

S

V

A

A

S

F

Y

W

F

L

L

V

A

M

A

G

A

A

A

L

I

-

K

G

G

K

G

G

T

I

V

T

K

C

V

M

T

G

G

L

I

D

G

T

R

D

N

S

S

L

M

Q

Q

G

G

D

D

R

I

I

R

I

F

V

A

H

D

I

V

L

L

K

E

D

K

M

M

G

G

V

A

E

T

I

I

E

C

E

W

K

G

E

D

N

D

C

Y

I

I

E

S

V

C

N

T

P

R

S

G

K

E

T

L

T

N

G

A

V

I

V

D

I

M

D

D

V

M

S

N

Q

H

C

I

P

P

D
|
D

L

A

V

A

P

M

V

T

L

I

A

A

A

T

L

A

A

A

S

L

V

F

S

A

H

K

G

G

T

T

E

T

I

L

I

R

N

N

A

I

A

Y

R
x
N

L

W

R

R

I

V

K
|
K

E
|
E

S

T

D

D

R

R

L

L

K

F

A

A

I

M

T

A

S

T

E

E

L

L

N

R

K

K

I

V

G

G

A

A

E

E

V

V

I

E

E

E

K

G

E

H

D

D

S

Y

L

I

I

R

I

I

H

T

G

P

K

P

E

E

N

K

L

L

K

N

G

F

G

A

N

E

V

I

T

A

S

T

W

Y

K

N

D

D

H
|
H

R
|
R

I

M

A

A

M

M

A

C

L

F

A

S

A

L

V

V

S

A

S

L

K

S

C

D

T

T

E

-

P

P

L

V

V

T

I

I

E

L

G

D

A

P

E

K

C

C

V

T

K

A

K
|
K

S

T

Y

F

P

P

G

D

F

Y

W

F

E

E

D

Q

F

L

active site: K22 (= K21), S23 (= S22), D49 (= D48), N94 (≠ Q89), P119 (≠ G114), R124 (= R119), D313 (= D304), E341 (= E332), H385 (= H376), R386 (= R377), K411 (= K403)
binding phosphate ion: K22 (= K21), G96 (= G91), T97 (≠ S92), R124 (= R119), Q171 (= Q164), E341 (= E332), K411 (= K403)
binding shikimate-3-phosphate: K22 (= K21), S23 (= S22), R27 (= R26), T97 (≠ S92), S169 (= S162), S170 (= S163), Q171 (= Q164), S197 (= S190), Y200 (= Y193), D313 (= D304), N336 (≠ R327), K340 (= K331)

1g6sA Structure of epsp synthase liganded with shikimate-3-phosphate and glyphosate (see paper)
33% identity, 97% coverage: 1:412/426 of query aligns to 1:420/427 of 1g6sA

query
sites
1g6sA

M

M

K

E

Y

S

V

L

S

T

I

L

N

Q

P

P

-

I

T

A

K

R

L

V

E

D

G

G

Q

T

V

I

K

N

I

L

P

P

P

G

S

S

K
|
K

S
|
S

V

V

C

S

H

N

R
|
R

A

A

L

L

I

L

C

L

A

A

S

A

L

L

S

A

S

H

G

G

V

K

S

T

N

V

I

L

T

T

N

N

V

L

D

L

F

D

S

S

E

D

D
|
D

I

V

E

R

A

H

T

M

C

L

E

N

A

A

L

L

K

T

S

A

L

L

G

G

V

V

-

S

-

Y

I

T

I

L

E

S

K

A

G

D

N

R

N

T

S

R

L

C

S

E

I

I

K

I

G

G

N

N

S

G

N

G

L

P

Y

L

V

H

K

A

K

E

P

G

N

A

V

L

H

E

C

L

F

F

-

L

-

G

Q
x
N

S

A

G
|
G

S
x
T

T

A

L

M

R

R

F

-

L

-

I

-

P

P

L

L

A

A

T

A

L

L

-

C

-

L

-

G

G

S

E

N

E

D

I

I

T

V

F

L

T

T

G

G

E

E

G
x
P

K

R

L

M

V

K

E

E

R
|
R

P

P

L

I

N

G

V

H

Y

L

Y

V

D

D

I

A

F

L

K

R

-

L

-

G

S

G

Q

A

K

K

I

I

Y

T

Y

Y

K

L

T

E

E

Q

S

E

G

N

K

Y

L

P

P

P

L

L

T

R

I

L

N

Q

G

G

K

G

L

F

K

T

S

G

G

G

D

N

Y

V

R

D

V

V

R

D

G

G

D

S

V

V

S
|
S

Q
|
Q

F

F

V

L

T

T

G

A

L

L

F

M

A

T

L

A

P

P

L

L

L

A

S

P

G

E

D

D

S

T

K

V

I

I

E

R

I

I

T

K

T

G

E

D

L

L

E

V

S
|
S

K

K

S

P

Y
|
Y

V

I

D

D

I

I

T

T

I

L

D

N

M

L

L

M

G

K

K

T

F

F

G

G

V

V

C

E

V

I

D

E

G

N

S

Q

S

H

Y

Y

R

Q

E

Q

F

F

I

V

K

K

G

G

N

G

Q

Q

T

S

Y

Y

K

Q

E

S

V

P

D

G

C

T

N

Y

-

L

I

V

E

E

G

G

D

D

F

A

S

S

Q

S

V

A

A

S

F

Y

W

F

L

L

V

A

M

A

G

A

A

A

L

I

-

K

G

G

K

G

G

T

I

V

T

K

C

V

M

T

G

G

L

I

D

G

T

R

D

N

S

S

L

M

Q

Q

G

G

D

D

R

I

I

R

I

F

V

A

H

D

I

V

L

L

K

E

D

K

M

M

G

G

V

A

E

T

I

I

E

C

E

W

K

G

E

D

N

D

C

Y

I

I

E

S

V

C

N

T

P

R

S

G

K

E

T

L

T

N

G

A

V

I

V

D

I

M

D

D

V

M

S

N

Q

H

C

I

P

P

D
|
D

L

A

V

A

P

M

V

T

L

I

A

A

A

T

L

A

A

A

S

L

V

F

S

A

H

K

G

G

T

T

E

T

I

L

I

R

N

N

A

I

A

Y

R
x
N

L

W

R

R

I

V

K
|
K

E
|
E

S

T

D

D

R
|
R

L

L

K

F

A

A

I

M

T

A

S

T

E

E

L

L

N

R

K

K

I

V

G

G

A

A

E

E

V

V

I

E

E

E

K

G

E

H

D

D

S

Y

L

I

I

R

I

I

H

T

G

P

K

P

E

E

N

K

L

L

K

N

G

F

G

A

N

E

V

I

T

A

S

T

W

Y

K

N

D

D

H
|
H

R
|
R

I

M

A

A

M

M

A

C

L

F

A

S

A

L

V

V

S

A

S

L

K

S

C

D

T

T

E

-

P

P

L

V

V

T

I

I

E

L

G

D

A

P

E

K

C

C

V

T

K

A

K
|
K

S

T

Y

F

P

P

G

D

F

Y

W

F

E

E

D

Q

F

L

active site: K22 (= K21), S23 (= S22), D49 (= D48), N94 (≠ Q89), P119 (≠ G114), R124 (= R119), D313 (= D304), E341 (= E332), H385 (= H376), R386 (= R377), K411 (= K403)
binding glyphosate: K22 (= K21), G96 (= G91), R124 (= R119), Q171 (= Q164), D313 (= D304), E341 (= E332), R344 (= R335), H385 (= H376), R386 (= R377)
binding shikimate-3-phosphate: K22 (= K21), S23 (= S22), R27 (= R26), T97 (≠ S92), S169 (= S162), S170 (= S163), Q171 (= Q164), S197 (= S190), Y200 (= Y193), D313 (= D304), N336 (≠ R327), K340 (= K331)

P0A6D3 3-phosphoshikimate 1-carboxyvinyltransferase; 5-enolpyruvylshikimate-3-phosphate synthase; EPSP synthase; EPSPS; EC 2.5.1.19 from Escherichia coli (strain K12) (see 5 papers)
33% identity, 97% coverage: 1:412/426 of query aligns to 1:420/427 of P0A6D3

query
sites
P0A6D3

M

M

K

E

Y

S

V

L

S

T

I

L

N

Q

P

P

-

I

T

A

K

R

L

V

E

D

G

G

Q

T

V

I

K

N

I

L

P

P

P

G

S

S

K
|
K

S
|
S

V

V

C

S

H

N

R
|
R

A

A

L

L

I

L

C

L

A

A

S

A

L

L

S

A

S

H

G

G

V

K

S

T

N

V

I

L

T

T

N

N

V

L

D

L

F

D

S

S

E

D

D

D

I

V

E

R

A

H

T

M

C

L

E

N

A

A

L

L

K

T

S

A

L

L

G

G

V

V

-

S

-

Y

I

T

I

L

E

S

K

A

G

D

N

R

N

T

S

R

L

C

S

E

I

I

K

I

G

G

N

N

S

G

N

G

L

P

Y

L

V

H

K

A

K

E

P

G

N

A

V

L

H

E

C

L

F

F

-

L

-

G

Q

N

S

A

G
|
G

S
x
T

T

A

L

M

R

R

F

-

L

-

I

-

P
|
P

L

L

A

A

T

A

L

L

-

C

-

L

-

G

G

S

E

N

E

D

I

I

T

V

F

L

T

T

G

G

E

E

G

P

K

R

L

M

V

K

E

E

R

R

P

P

L

I

N

G

V

H

Y

L

Y

V

D

D

I

A

F

L

K

R

-

L

-

G

S

G

Q

A

K

K

I

I

Y

T

Y

Y

K

L

T

E

E

Q

S

E

G

N

K

Y

L

P

P

P

L

L

T

R

I

L

N

Q

G

G

K

G

L

F

K

T

S

G

G

G

D

N

Y

V

R

D

V

V

R

D

G

G

D

S

V

V

S
|
S

Q
|
Q

F

F

V

L

T

T

G

A

L

L

F

M

A

T

L

A

P

P

L

L

L

A

S

P

G

E

D

D

S

T

K

V

I

I

E

R

I

I

T

K

T

G

E

D

L

L

E

V

S
|
S

K

K

S

P

Y

Y

V

I

D

D

I

I

T

T

I

L

D

N

M

L

L

M

G

K

K

T

F

F

G

G

V

V

C

E

V

I

D

E

G

N

S

Q

S

H

Y

Y

R

Q

E

Q

F

F

I

V

K

K

G

G

N

G

Q

Q

T

S

Y

Y

K

Q

E

S

V

P

D

G

C

T

N

Y

-

L

I

V

E

E

G

G

D

D

F

A

S

S

Q

S

V

A

A

S

F

Y

W

F

L

L

V

A

M

A

G

A

A

A

L

I

-

K

G

G

K

G

G

T

I

V

T

K

C

V

M

T

G

G

L

I

D

G

T

R

D

N

S

S

L

M

Q

Q

G

G

D

D

R

I

I

R

I

F

V

A

H

D

I

V

L

L

K

E

D

K

M

M

G

G

V

A

E

T

I

I

E

C

E

W

K

G

E

D

N

D

C

Y

I

I

E

S

V

C

N

T

P

R

S

G

K

E

T

L

T

N

G

A

V

I

V

D

I

M

D

D

V

M

S

N

Q

H

C

I

P

P

D
|
D

L

A

V

A

P

M

V

T

L

I

A

A

A

T

L

A

A

A

S

L

V

F

S

A

H

K

G

G

T

T

E

T

I

L

I

R

N

N

A

I

A

Y

R
x
N

L

W

R

R

I

V

K
|
K

E

E

S

T

D

D

R

R

L

L

K

F

A

A

I

M

T

A

S

T

E

E

L

L

N

R

K

K

I

V

G

G

A

A

E

E

V

V

I

E

E

E

K

G

E

H

D

D

S

Y

L

I

I

R

I

I

H

T

G

P

K

P

E

E

N

K

L

L

K

N

G

F

G

A

N

E

V

I

T

A

S

T

W

Y

K

N

D

D

H

H

R

R

I

M

A

A

M

M

A

C

L

F

A

S

A

L

V

V

S

A

S

L

K

S

C

D

T

T

E

-

P

P

L

V

V

T

I

I

E

L

G

D

A

P

E

K

C
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C

V

T

K

A

K
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K

S

T

Y

F

P

P

G

D

F

Y

W

F

E

E

D

Q

F

L

K22 (= K21) binding 3-phosphoshikimate
S23 (= S22) binding 3-phosphoshikimate
R27 (= R26) binding 3-phosphoshikimate
G96 (= G91) mutation to A: Insensitive to glyphosate with unaltered affinity for its first substrate S3P, but displays a 30-fold lower affinity for its second substrate PEP.
T97 (≠ S92) mutation to I: This mutant is sensitive to glyphosate and causes a substantial decrease in the affinity for PEP. Is insensitive to glyphosate but maintains high affinity for PEP; when associated with S-101.
P101 (= P99) mutation to A: Displays a slight decrease of the affinity binding for both S3P and PEP. Decreases the binding affinity of glyphosate, reducing the potency of this inhibitor.; mutation to G: Displays a slight decrease of the affinity binding for both S3P and PEP. Decreases the binding affinity of glyphosate, reducing the potency of this inhibitor.; mutation to L: Displays a 2-fold lower affinity binding for both S3P and PEP. Decreases the binding affinity of glyphosate, reducing the potency of this inhibitor.; mutation to S: Displays a slight decrease of the affinity binding for both S3P and PEP. Decreases the binding affinity of glyphosate, reducing the potency of this inhibitor. Is insensitive to glyphosate but maintains high affinity for PEP; when associated with I-97.
S169 (= S162) binding 3-phosphoshikimate
S170 (= S163) binding 3-phosphoshikimate
Q171 (= Q164) binding 3-phosphoshikimate
S197 (= S190) binding 3-phosphoshikimate
D313 (= D304) binding 3-phosphoshikimate; mutation to A: The enolpyruvyl transfer reaction is halted after formation of the tetrahedral adduct of the substrates.
N336 (≠ R327) binding 3-phosphoshikimate
K340 (= K331) binding 3-phosphoshikimate
C408 (= C400) Modified by bromopyruvate
K411 (= K403) Modified by bromopyruvate

3fjzA E. Coli epsp synthase (t97i) liganded with s3p and glyphosate (see paper)
33% identity, 97% coverage: 1:412/426 of query aligns to 1:420/427 of 3fjzA

query
sites
3fjzA

M

M

K

E

Y

S

V

L

S

T

I

L

N

Q

P

P

-

I

T

A

K

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L

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D

G

G

Q

T

V

I

K

N

I

L

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P

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S

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K

S
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S

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V

C

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N

R
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R

A

A

L

L

I

L

C

L

A

A

S

A

L

L

S

A

S

H

G

G

V

K

S

T

N

V

I

L

T

T

N

N

V

L

D

L

F

D

S

S

E

D

D
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D

I

V

E

R

A

H

T

M

C

L

E

N

A

A

L

L

K

T

S

A

L

L

G

G

V

V

-

S

-

Y

I

T

I

L

E

S

K

A

G

D

N

R

N

T

S

R

L

C

S

E

I

I

K

I

G

G

N

N

S

G

N

G

L

P

Y

L

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H

K

A

K

E

P

G

N

A

V

L

H

E

C

L

F

F

-

L

-

G

Q
x
N

S

A

G
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G

S
x
I

T

A

L

M

R

R

F

-

L

-

I

-

P

P

L

L

A

A

T

A

L

L

-

C

-

L

-

G

G

S

E

N

E

D

I

I

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F

L

T

T

G

G

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G
x
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R

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Y

L

Y

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I

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F

L

K

R

-

L

-

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G

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A

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K

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I

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T

Y

Y

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L

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G

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G

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N

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S

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Q

F

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G

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L

L

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M

A

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L

A

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P

L

L

L

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S

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Y

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I

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D

I

I

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T

I

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M

L

L

M

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K

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F

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S

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Y

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F

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G

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Y

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L

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E

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G

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S

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A

A

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F

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L

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A

M

A

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A

A

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C

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M

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G

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x
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x
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S

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Q

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G

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D

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M

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D

L

A

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A

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M

V

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L

I

A

A

A

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L

A

A

A

S

L

V

F

S

A

H

K

G

G

T

T

E

T

I

L

I

R

N

N

A

I

A

Y

R
x
N

L

W

R

R

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K

E
|
E

S

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D

D

R
|
R

L

L

K

F

A

A

I

M

T

A

S

T

E

E

L

L

N

R

K

K

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G

G

A

A

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E

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V

I

E

E

E

K

G

E

H

D

D

S

Y

L

I

I

R

I

I

H

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G

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K

P

E

E

N

K

L

L

K

N

G

F

G

A

N

E

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I

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A

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T

W

Y

K

N

D

D

H
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H

R
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R

I

M

A

A

M

M

A

C

L

F

A

S

A

L

V

V

S

A

S

L

K

S

C

D

T

T

E

-

P

P

L

V

V

T

I

I

E

L

G

D

A

P

E

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C

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active site: K22 (= K21), S23 (= S22), D49 (= D48), N94 (≠ Q89), P119 (≠ G114), R124 (= R119), D313 (= D304), E341 (= E332), H385 (= H376), R386 (= R377), K411 (= K403)
binding N-(phosphonomethyl)glycine: K22 (= K21), G96 (= G91), R124 (= R119), Q171 (= Q164), D313 (= D304), E341 (= E332), R344 (= R335), H385 (= H376), R386 (= R377)
binding shikimate-3-phosphate: K22 (= K21), S23 (= S22), R27 (= R26), I97 (≠ S92), S169 (= S162), S170 (= S163), Q171 (= Q164), S197 (= S190), Y200 (= Y193), D313 (= D304), N336 (≠ R327), K340 (= K331)
binding serine: I265 (≠ L256), G266 (≠ D257), S269 (= S260)

3nvsA 1.02 angstrom resolution crystal structure of 3-phosphoshikimate 1- carboxyvinyltransferase from vibrio cholerae in complex with shikimate-3-phosphate (partially photolyzed) and glyphosate
33% identity, 97% coverage: 1:415/426 of query aligns to 1:424/426 of 3nvsA

query
sites
3nvsA

M

M

K

E

Y

S

V

L

S

T

I

L

N

Q

P

P

T

I

K

E

L

L

-

I

E

S

G

G

Q

E

V

V

K

N

I

L

P

P

P

G

S

S

K
|
K

S
|
S

V

V

C

S

H

N

R
|
R

A

A

L

L

I

L

C

L

A

A

S

A

L

L

S

A

S

S

G

G

V

T

S

T

N

R

I

L

T

T

N

N

V

L

D

L