SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011372501.1 NCBI__GCF_000012965.1:WP_011372501.1 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)

3slhD 1.70 angstrom resolution structure of 3-phosphoshikimate 1- carboxyvinyltransferase (aroa) from coxiella burnetii in complex with shikimate-3-phosphate and glyphosate
41% identity, 94% coverage: 19:420/428 of query aligns to 19:427/440 of 3slhD

query
sites
3slhD

I

V

A

P

S

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

C

A

A

V

M

L

F

L

A

A

M

A

L

I

A

A

D

E

G

G

T

Q

S

T

Q

Q

I

V

T

D

N

G

F

F

L

L

R

M

A

G

E

A

D
|
D

T

N

M

L

N

A

S

M

L

V

K

S

I

A

V

L

K

Q

N

Q

L

M

G

G

A

A

T

S

I

I

-

Q

-

V

-

I

-

E

D

D

D

E

D

N

G

I

E

L

T

V

I

V

K

E

-

G

I

V

S

G

S

M

D

T

G

G

I

L

K

Q

E

A

S

P

E

E

V

A

L

L

D

D

C

C

G

G

N
|
N

S

S

G
|
G

T
|
T

G

A

M

I

R

R

L

L

F

L

C

S

G

G

L

L

S

A

S

G

A

Q

D

P

G

F

H

N

F

T

V

V

L

L

S

T

G

G

D

D

E

S

Y

S

L

L

R

Q

R

R

R
|
R

P

P

M

M

K

K

R

R

I

I

T

I

A

D

P

P

L

L

R

T

D

L

I

M

G

G

A

A

K

K

L

I

D

D

G

-

R

-

E

S

N

T

G

G

D

N

L

V

A

P

P

P

L

L

S

K

I

I

R

Y

G

G

-

N

A

P

S

R

L

L

K

T

A

G

F

I

N

H

Y

Y

E

Q

S

L

K

P

I

M

A

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

A

C

M

L

I

L

L

L

A

A

A

G

L

L

R

Y

A

A

D

R

G

G

E

K

C

T

S

C

F

I

S

T

E

E

P

P

E

A

L

P

S

S

R
|
R

D

D

H

H

T

T

E

E

R

R

M

L

L

L

K

K

G

H

M

F

G

H

A

Y

E

T

I

L

E

Q

V

K

E

D

G

K

L

Q

I

S

T

I

K

C

I

V

K

S

P

G

M

G

K

G

K

K

L

L

L

K

S

A

P

N

L

-

K

D

I

I

R

S

V

I

P

P

A

G

D

D

P

I

S

S

A

A

F

A

F

F

A

I

V

V

A

A

A

T

I

I

T

T

P

P

N

G

S

S

N

A

V

I

V

R

L

L

E

C

G

R

V

V

T

G

L

V

N

N

P

P

T

T

R

R

I

L

E

G

A

V

F

I

K

N

A

L

L

L

E

K

R

M

M

M

G

G

A

A

D

D

I

I

R

E

Y

V

-

T

E

H

A

Y

T

T

E

E

N

K

I

N

Y

E

E

E

P

P

I

T

G

A

N

D

I

I

H

T

V

V

K

R

Y

H

A

A

P

R

L

L

K

K

A

G

I

I

T

D

V

I

E

P

-

P

D

D

N

Q

I

V

S

P

W

L

L

T

I

I

D
|
D

E

E

L

F

P

P

A

V

L

L

S

L

I

I

A

A

F

A

A

A

C

V

A

A

D

Q

G

G

V

K

S

T

I

V

V

L

K

R

N

D

A

A

Q

A

E

E

L

L

R

R

V

V

K
|
K

E
|
E

S

T

D

D

R
|
R

I

I

S

A

T

A

V

M

V

V

N

D

G

G

L

L

K

Q

A

K

C

L

G

G

I

I

E

A

V

A

D

E

E

S

V

L

H

P

D

D

G

G

Y

V

S

I

V

I

K

Q

G

G

V

T

L

L

K

E

E

G

A

G

K

E

I

V

D

N

S

S

H

Y

G

D

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

A

F

F

I

A

I

V

A

A

G

G

V

T

T

L

C

A

-

K

-

G

G

P

M

V

R

R

V

I

D

R

D

N

I

C

A

D

C

N

I

V

N

K

T
|
T

S

S

F

F

P

P

N

N

F

F

F

V

E

E

L

L

L

A

K

N

K

E

I

V

active site: K23 (= K23), S24 (= S24), D50 (= D50), N95 (= N90), R125 (= R120), D317 (= D312), E345 (= E340), H388 (= H383), R389 (= R384), T415 (= T408)
binding glyphosate: K23 (= K23), G97 (= G92), T98 (= T93), R125 (= R120), Q171 (= Q167), D317 (= D312), E345 (= E340), R348 (= R343), H388 (= H383), R389 (= R384)
binding shikimate-3-phosphate: S24 (= S24), R28 (= R28), S169 (= S165), Q171 (= Q167), R196 (= R192), D317 (= D312), K344 (= K339)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S24 (= S24), R28 (= R28), T98 (= T93), Q171 (= Q167), R196 (= R192), D317 (= D312), K344 (= K339)

Q83E11 3-phosphoshikimate 1-carboxyvinyltransferase; 5-enolpyruvylshikimate-3-phosphate synthase; EPSP synthase; EPSPS; EC 2.5.1.19 from Coxiella burnetii (strain RSA 493 / Nine Mile phase I)
41% identity, 94% coverage: 19:420/428 of query aligns to 17:425/438 of Q83E11

query
sites
Q83E11

I

V

A

P

S

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

C

A

A

V

M

L

F

L

A

A

M

A

L

I

A

A

D

E

G

G

T

Q

S

T

Q

Q

I

V

T

D

N

G

F

F

L

L

R

M

A

G

E

A

D

D

T

N

M

L

N

A

S

M

L

V

K

S

I

A

V

L

K

Q

N

Q

L

M

G

G

A

A

T

S

I

I

-

Q

-

V

-

I

-

E

D

D

D

E

D

N

G

I

E

L

T

V

I

V

K

E

-

G

I

V

S

G

S

M

D

T

G

G

I

L

K

Q

E

A

S

P

E

E

V

A

L

L

D

D

C

C

G

G

N
|
N

S
|
S

G
|
G

T
|
T

G

A

M

I

R

R

L

L

F

L

C

S

G

G

L

L

S

A

S

G

A

Q

D

P

G

F

H

N

F

T

V

V

L

L

S

T

G

G

D

D

E

S

Y

S

L

L

R

Q

R

R

R
|
R

P

P

M

M

K

K

R

R

I

I

T

I

A

D

P

P

L

L

R

T

D

L

I

M

G

G

A

A

K

K

L

I

D

D

G

-

R

-

E

S

N

T

G

G

D

N

L

V

A

P

P

P

L

L

S

K

I

I

R

Y

G

G

-

N

A

P

S

R

L

L

K

T

A

G

F

I

N

H

Y

Y

E

Q

S

L

K

P

I

M

A

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

A

C

M

L

I

L

L

L

A

A

A

G

L

L

R

Y

A

A

D

R

G

G

E

K

C

T

S

C

F

I

S

T

E

E

P

P

E

A

L

P

S

S

R

R

D

D

H

H

T

T

E

E

R

R

M

L

L

L

K

K

G

H

M

F

G

H

A

Y

E

T

I

L

E

Q

V

K

E

D

G

K

L

Q

I

S

T

I

K

C

I

V

K

S

P

G

M

G

K

G

K

K

L

L

L

K

S

A

P

N

L

-

K

D

I

I

R

S

V

I

P

P

A

G

D

D

P

I

S

S

A

A

F

A

F

F

A

I

V

V

A

A

A

T

I

I

T

T

P

P

N

G

S

S

N

A

V

I

V

R

L

L

E

C

G

R

V

V

T

G

L

V

N

N

P

P

T

T

R

R

I

L

E

G

A

V

F

I

K

N

A

L

L

L

E

K

R

M

M

M

G

G

A

A

D

D

I

I

R

E

Y

V

-

T

E

H

A

Y

T

T

E

E

N

K

I

N

Y

E

E

E

P

P

I

T

G

A

N

D

I

I

H

T

V

V

K

R

Y

H

A

A

P

R

L

L

K

K

A

G

I

I

T

D

V

I

E

P

-

P

D

D

N

Q

I

V

S

P

W

L

L

T

I

I

D
|
D

E

E

L

F

P

P

A

V

L

L

S

L

I

I

A

A

F

A

A

A

C

V

A

A

D

Q

G

G

V

K

S

T

I

V

V

L

K

R

N

D

A

A

Q

A

E

E

L

L

R

R

V

V

K
|
K

E

E

S

T

D

D

R
|
R

I

I

S

A

T

A

V

M

V

V

N

D

G

G

L

L

K

Q

A

K

C

L

G

G

I

I

E

A

V

A

D

E

E

S

V

L

H

P

D

D

G

G

Y

V

S

I

V

I

K

Q

G

G

V

T

L

L

K

E

E

G

A

G

K

E

I

V

D

N

S

S

H

Y

G

D

D

D

H

H

R
|
R

I

I

A

A

M

M

S

A

F

F

I

A

I

V

A

A

G

G

V

T

T

L

C

A

-

K

-

G

G

P

M

V

R

R

V

I

D

R

D

N

I

C

A

D

C

N

I

V

N

K

T

T

S

S

F

F

P

P

N

N

F

F

F

V

E

E

L

L

L

A

K

N

K

E

I

V

K21 (= K23) binding phosphoenolpyruvate
S22 (= S24) binding 3-phosphoshikimate
R26 (= R28) binding 3-phosphoshikimate
NSGT 93:96 (= NSGT 90:93) Phosphoenolpyruvate
G95 (= G92) binding phosphoenolpyruvate
T96 (= T93) binding phosphoenolpyruvate
R123 (= R120) binding phosphoenolpyruvate
S167 (= S165) binding 3-phosphoshikimate
A168 (= A166) binding 3-phosphoshikimate
Q169 (= Q167) binding 3-phosphoshikimate; binding phosphoenolpyruvate
D315 (= D312) binding 3-phosphoshikimate
K342 (= K339) binding 3-phosphoshikimate
R346 (= R343) binding phosphoenolpyruvate
R387 (= R384) binding phosphoenolpyruvate

4egrA 2.50 angstrom resolution structure of 3-phosphoshikimate 1- carboxyvinyltransferase (aroa) from coxiella burnetii in complex with phosphoenolpyruvate
41% identity, 94% coverage: 19:420/428 of query aligns to 19:423/434 of 4egrA

query
sites
4egrA

I

V

A

P

S

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R

R

C

A

A

V

M

L

F

L

A

A

M

A

L

I

A

A

D

E

G

G

T

Q

S

T

Q

Q

I

V

T

D

N

G

F

F

L

L

R

M

A

G

E

A

D
|
D

T

N

M

L

N

A

S

M

L

V

K

S

I

A

V

L

K

Q

N

Q

L

M

G

G

A

A

T

S

I

I

-

Q

-

V

-

I

-

E

D

D

D

E

D

N

G

I

E

L

T

V

I

V

K

E

-

G

I

V

S

G

S

M

D

T

G

G

I

L

K

Q

E

A

S

P

E

E

V

A

L

L

D

D

C

C

G

G

N
|
N

S

S

G
|
G

T
|
T

G

A

M

I

R

R

L

L

F

L

C

S

G

G

L

L

S

A

S

G

A

Q

D

P

G

F

H

N

F

T

V

V

L

L

S

T

G

G

D

D

E

S

Y

S

L

L

R

Q

R

R

R
|
R

P

P

M

M

K

K

R

R

I

I

T

I

A

D

P

P

L

L

R

T

D

L

I

M

G

G

A

A

K

K

L

I

D

D

G

-

R

-

E

S

N

T

G

G

D

N

L

V

A

P

P

P

L

L

S

K

I

I

R

Y

G

G

-

N

A

P

S

R

L

L

K

T

A

G

F

I

N

H

Y

Y

E

Q

S

L

K

P

I

M

A

A

S

S

A

A

Q

Q

V

V

K

K

S

S

A

C

M

L

I

L

L

L

A

A

A

G

L

L

R

Y

A

A

D

R

G

G

E

K

C

T

S

C

F

I

S

T

E

E

P

P

E

A

L

P

S

S

R

R

D

D

H

H

T

T

E

E

R

R

M

L

L

L

K

K

G

H

M

F

G

H

A

Y

E

T

I

L

E

Q

V

K

E

Q

G

S

L

I

I

C

T

V

K

S

I

-

K

-

P

-

M

G

K

G

L

K

L

L

S

K

P

A

L

N

K

D

I

I

R

S

V

I

P

P

A

G

D

D

P

I

S

S

A

A

F

A

F

F

A

I

V

V

A

A

A

T

I

I

T

T

P

P

N

G

S

S

N

A

V

I

V

R

L

L

E

C

G

R

V

V

T

G

L

V

N

N

P

P

T

T

R

R

I

L

E

G

A

V

F

I

K

N

A

L

L

L

E

K

R

M

M

M

G

G

A

A

D

D

I

I

R

E

Y

V

-

T

E

H

A

Y

T

T

E

E

N

K

I

-

Y

-

E

E

P

P

I

T

G

A

N

D

I

I

H

T

V

V

K

R

Y

H

A

A

P

R

L

L

K

K

A

G

I

I

T

D

V

I

E

P

-

P

D

D

N

Q

I

V

S

P

W

L

L

T

I

I

D
|
D

E

E

L

F

P

P

A

V

L

L

S

L

I

I

A

A

F

A

A

A

C

V

A

A

D

Q

G

G

V

K

S

T

I

V

V

L

K

R

N

D

A

A

Q

A

E

E

L

L

R

R

V

V

K

K

E
|
E

S

T

D

D

R
|
R

I

I

S

A

T

A

V

M

V

V

N

D

G

G

L

L

K

Q

A

K

C

L

G

G

I

I

E

A

V

A

D

E

E

S

V

L

H

P

D

D

G

G

Y

V

S

I

V

I

K

Q

G

G

V

T

L

L

K

E

E

G

A

G

K

E

I

V

D

N

S

S

H

Y

G

D

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

A

F

F

I

A

I

V

A

A

G

G

V

T

T

L

C

A

-

K

-

G

G

P

M

V

R

R

V

I

D

R

D

N

I

C

A

D

C

N

I

V

N

K

T
|
T

S

S

F

F

P

P

N

N

F

F

F

V

E

E

L

L

L

A

K

N

K

E

I

V

active site: K23 (= K23), S24 (= S24), D50 (= D50), N95 (= N90), R125 (= R120), D313 (= D312), E341 (= E340), H384 (= H383), R385 (= R384), T411 (= T408)
binding phosphoenolpyruvate: K23 (= K23), G97 (= G92), T98 (= T93), R125 (= R120), D313 (= D312), E341 (= E340), R344 (= R343), R385 (= R384)

Q9S400 3-phosphoshikimate 1-carboxyvinyltransferase; 5-enolpyruvylshikimate-3-phosphate synthase; EPSP synthase; EPSPS; EC 2.5.1.19 from Streptococcus pneumoniae serotype 4 (strain ATCC BAA-334 / TIGR4) (see paper)
39% identity, 94% coverage: 19:420/428 of query aligns to 16:424/427 of Q9S400

query
sites
Q9S400

I

V

A

P

S

G

D

D

K

K

S
|
S

I

I

S

S

H

H

R
|
R

C

S

A

I

M

I

F

F

A

G

M

S

L

L

A

A

D

E

G

G

T

E

S

T

Q

K

I

V

T

Y

N

D

F

I

L

L

R

R

A

G

E

E

D

D

T

V

M

L

N

S

S

T

L

M

K

Q

I

V

V

F

K

R

N

D

L

L

G

G

A

V

T

E

I

I

D

E

D

D

D

K

G

D

E

G

T

V

I

I

K

T

I

I

S

Q

S

G

-

V

-

G

-

M

D

A

G

G

I

L

K

K

E

A

S

P

S

Q

E

N

V

A

L

L

D

N

C

M

G

G

N

N

S

S

G

G

T

T

G

S

M

I

R

R

L

L

F

I

C

S

G

G

L

V

L

L

S

A

S

G

A

A

D

D

G

F

H

E

F

V

V

E

L

M

S

F

G

G

D

D

E

D

Y

S

L

L

R

S

R

K

R

R

P

P

M

M

K

D

R

R

I

V

T

T

A

L

P

P

L

L

R

K

D

K

I

M

G

G

A

V

K

S

L

I

D

S

G

G

R

Q

E

T

N

E

G

R

D

D

L

L

A

P

P

P

L

L

S

R

I

L

R

K

G

G

A

T

-

K

S

N

L

L

K

R

A

P

F

I

N

H

Y

Y

E

E

S

L

K

P

I

I

A

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

A

A

M

L

I

M

L

F

A

A

L

L

R

Q

A

A

D

K

G

G

E

E

C

S

S

V

F

I

S

I

E

E

P

K

E

E

L

Y

S

T

R

R

D

N

H

H

T

T

E

E

R

D

M

M

L

L

K

K

G

Q

M

F

G

G

A

G

E

H

I

L

E

S

V

V

E

D

G

G

-

K

L

K

I

I

T

T

K

V

I

Q

K

G

P

P

M

Q

K

K

K

-

L

-

L

L

S

T

P

G

L

Q

K

K

I

V

R

V

V

V

P

P

A

G

D

D

P

I

S

S

A

A

F

A

F

F

F

W

A

L

V

V

A

A

A

G

A

L

I

I

T

A

P

P

N

N

S

S

N

R

V

L

V

V

L

L

E

Q

G

N

V

V

T

G

L

I

N

N

P

E

T

T

R

R

I

T

E

G

A

I

F

I

K

D

A

V

L

I

E

R

R

A

M

M

G

G

A

G

D

-

I

-

R

K

Y

L

E

E

A

I

T

T

E

E

N

-

I

-

Y

I

E

D

P

P

I

V

-

A

-

K

-

S

G

A

N

T

I

L

H

I

V

V

K

E

Y

S

A

S

P

D

L

L

K

K

A

G

I

T

T

E

V

I

E

G

D

G

N

A

-

L

I

I

S

P

W

R

L

L

I

I

D
|
D

E

E

L

L

P

P

A

I

L

I

S

A

I

L

A

L

F

A

A

T

C

Q

A

A

D

Q

G

G

V

V

S

T

I

V

V

I

K

K

N

D

A

A

Q

E

E

E

L

L

R

K

V

V

K
|
K

E

E

S

T

D

D

R

R

I

I

S

Q

T

V

V

V

V

A

N

D

G

A

L

L

K

N

A

S

C

M

G

G

I

A

E

D

V

I

D

T

E

P

V

T

H

A

D

D

G

G

Y

M

S

I

V

I

K

K

G

G

-

K

G

S

V

A

L

L

K

H

E

G

A

A

K

R

I

V

D

N

S

T

H

F

G

G

D

D

H

H

R

R

I

I

A

G

M

M

S

M

F

T

I

A

I

I

A

A

G

A

V

L

T

L

C

V

G

A

-

D

-

G

-

E

M

V

R

E

V

L

D

D

D

R

I

A

A

E

C

A

I

I

N

N

T

T

S

S

F

Y

P

P

N

S

F

F

E

D

L

D

L

L

K

E

K

S

I

L

S21 (= S24) binding 3-phosphoshikimate
R25 (= R28) binding 3-phosphoshikimate
S166 (= S165) binding 3-phosphoshikimate
A167 (= A166) binding 3-phosphoshikimate
Q168 (= Q167) binding 3-phosphoshikimate
D312 (= D312) binding 3-phosphoshikimate
K339 (= K339) binding 3-phosphoshikimate

1rf6A Structural studies of streptococcus pneumoniae epsp synthase in s3p- glp bound state (see paper)
39% identity, 94% coverage: 19:420/428 of query aligns to 16:424/427 of 1rf6A

query
sites
1rf6A

I

V

A

P

S

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

C

S

A

I

M

I

F

F

A

G

M

S

L

L

A

A

D

E

G

G

T

E

S

T

Q

K

I

V

T

Y

N

D

F

I

L

L

R

R

A

G

E

E

D
|
D

T

V

M

L

N

S

S

T

L

M

K

Q

I

V

V

F

K

R

N

D

L

L

G

G

A

V

T

E

I

I

D

E

D

D

D

K

G

D

E

G

T

V

I

I

K

T

I

V

S

Q

S

G

-

V

-

G

-

M

D

A

G

G

I

L

K

K

E

A

S

P

S

Q

E

N

V

A

L

L

D

N

C

M

G

G

N
|
N

S

S

G
|
G

T
|
T

G

S

M

I

R

R

L

L

F

I

C

S

G

G

L

V

L

L

S

A

S

G

A

A

D

D

G

F

H

E

F

V

V

E

L

M

S

F

G

G

D

D

E
x
D

Y

S

L

L

R

S

R

K

R
|
R

P

P

M

M

K

D

R

R

I

V

T

T

A

L

P

P

L

L

R

K

D

K

I

M

G

G

A

V

K

S

L

I

D

S

G

G

R

Q

E

T

N

E

G

R

D

D

L

L

A

P

P

P

L

L

S

R

I

L

R

K

G

G

A

T

-

K

S

N

L

L

K

R

A

P

F

I

N

H

Y

Y

E

E

S

L

K

P

I

I

A

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

A

A

M

L

I

M

L

F

A

A

L

L

R

Q

A

A

D

K

G

G

E

E

C

S

S

V

F

I

S

I

E

E

P

K

E

E

L

Y

S

T

R
|
R

D

N

H

H

T

T

E

E

R

D

M

M

L

L

K

Q

G

Q

M

F

G

G

A

G

E

H

I

L

E

S

V

V

E

D

G

G

-

K

L

K

I

I

T

T

K

V

I

Q

K

G

P

P

M

Q

K

K

K

-

L

-

L

L

S

T

P

G

L

Q

K

K

I

V

R

V

V

V

P

P

A

G

D

D

P

I

S

S

A

A

F

A

F

F

F

W

A

L

V

V

A

A

A

G

A

L

I

I

T

A

P

P

N

N

S

S

N

R

V

L

V

V

L

L

E

Q

G

N

V

V

T

G

L

I

N

N

P

E

T

T

R

R

I

T

E

G

A

I

F

I

K

D

A

V

L

I

E

R

R

A

M

M

G

G

A

G

D

-

I

-

R

K

Y

L

E

E

A

I

T

T

E

E

N

-

I

-

Y

I

E

D

P

P

I

V

-

A

-

K

-

S

G

A

N

T

I

L

H

I

V

V

K

E

Y

S

A

S

P

D

L

L

K

K

A

G

I

T

T

E

V

I

E

C

D

G

N

A

-

L

I

I

S

P

W

R

L

L

I
|
I

D
|
D

E

E

L

L

P

P

A

I

L

I

S

A

I

L

A

L

F

A

A

T

C

Q

A

A

D

Q

G

G

V

V

S

T

I

V

V

I

K

K

N

D

A

A

Q

E

E

E

L

L

R

K

V

V

K
|
K

E
|
E

S

T

D

D

R
|
R

I

I

S

Q

T

V

V

V

V

A

N

D

G

A

L

L

K

N

A

S

C

M

G

G

I

A

E

D

V

I

D

T

E

P

V

T

H

A

D

D

G

G

Y

M

S

I

V

I

K

K

G

G

-

K

G

S

V

A

L

L

K

H

E

G

A

A

K

R

I

V

D

N

S

T

H

F

G

G

D

D

H
|
H

R
|
R

I

I

A

G

M

M

S

M

F

T

I

A

I

I

A

A

G

A

V

L

T

L

C

V

G

A

-

D

-

G

-

E

M

V

R

E

V

L

D

D

D

R

I

A

A

E

C

A

I

I

N

N

T
|
T

S

S

F

Y

P

P

N

S

F

F

E

D

L

D

L

L

K

E

K

S

I

L

active site: K20 (= K23), S21 (= S24), D47 (= D50), N90 (= N90), D115 (≠ E115), R120 (= R120), D312 (= D312), E340 (= E340), H384 (= H383), R385 (= R384), T412 (= T408)
binding glyphosate: K20 (= K23), G92 (= G92), T93 (= T93), R120 (= R120), Q168 (= Q167), D312 (= D312), E340 (= E340), R343 (= R343), H384 (= H383), R385 (= R384)
binding shikimate-3-phosphate: S21 (= S24), R25 (= R28), S166 (= S165), Q168 (= Q167), R193 (= R192), I311 (= I311), D312 (= D312), K339 (= K339)

1rf4A Structural studies of streptococcus pneumoniae epsp synthase, tetrahedral intermediate bound state (see paper)
39% identity, 94% coverage: 19:420/428 of query aligns to 16:424/427 of 1rf4A

query
sites
1rf4A

I

V

A

P

S

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

C

S

A

I

M

I

F

F

A

G

M

S

L

L

A

A

D

E

G

G

T

E

S

T

Q

K

I

V

T

Y

N

D

F

I

L

L

R

R

A

G

E

E

D
|
D

T

V

M

L

N

S

S

T

L

M

K

Q

I

V

V

F

K

R

N

D

L

L

G

G

A

V

T

E

I

I

D

E

D

D

D

K

G

D

E

G

T

V

I

I

K

T

I

V

S

Q

S

G

-

V

-

G

-

M

D

A

G

G

I

L

K

K

E

A

S

P

S

Q

E

N

V

A

L

L

D

N

C

M

G

G

N
|
N

S

S

G
|
G

T
|
T

G

S

M

I

R

R

L

L

F

I

C

S

G

G

L

V

L

L

S

A

S

G

A

A

D

D

G

F

H

E

F

V

V

E

L

M

S

F

G

G

D

D

E
x
D

Y

S

L

L

R

S

R

K

R
|
R

P

P

M

M

K

D

R

R

I

V

T

T

A

L

P

P

L

L

R

K

D

K

I

M

G

G

A

V

K

S

L

I

D

S

G

G

R

Q

E

T

N

E

G

R

D

D

L

L

A

P

P

P

L

L

S

R

I

L

R

K

G

G

A

T

-

K

S

N

L

L

K

R

A

P

F

I

N

H

Y

Y

E

E

S

L

K

P

I

I

A

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

A

A

M

L

I

M

L

F

A

A

L

L

R

Q

A

A

D

K

G

G

E

E

C

S

S

V

F

I

S

I

E

E

P

K

E

E

L

Y

S

T

R
|
R

D

N

H

H

T

T

E

E

R

D

M

M

L

L

K

Q

G

Q

M

F

G

G

A

G

E

H

I

L

E

S

V

V

E

D

G

G

-

K

L

K

I

I

T

T

K

V

I

Q

K

G

P

P

M

Q

K

K

K

-

L

-

L

L

S

T

P

G

L

Q

K

K

I

V

R

V

V

V

P

P

A

G

D

D

P

I

S

S

A

A

F

A

F

F

F

W

A

L

V

V

A

A

A

G

A

L

I

I

T

A

P

P

N

N

S

S

N

R

V

L

V

V

L

L

E

Q

G

N

V

V

T

G

L

I

N

N

P

E

T

T

R

R

I

T

E

G

A

I

F

I

K

D

A

V

L

I

E

R

R

A

M

M

G

G

A

G

D

-

I

-

R

K

Y

L

E

E

A

I

T

T

E

E

N

-

I

-

Y

I

E

D

P

P

I

V

-

A

-

K

-

S

G

A

N

T

I

L

H

I

V

V

K

E

Y

S

A

S

P

D

L

L

K

K

A

G

I

T

T

E

V

I

E

C

D

G

N

A

-

L

I

I

S

P

W

R

L

L

I

I

D
|
D

E

E

L

L

P

P

A

I

L

I

S

A

I

L

A

L

F

A

A

T

C

Q

A

A

D

Q

G

G

V

V

S

T

I

V

V

I

K

K

N

D

A

A

Q

E

E

E

L

L

R

K

V

V

K
|
K

E
|
E

S

T

D

D

R
|
R

I

I

S

Q

T

V

V

V

V

A

N

D

G

A

L

L

K

N

A

S

C

M

G

G

I

A

E

D

V

I

D

T

E

P

V

T

H

A

D

D

G

G

Y

M

S

I

V

I

K

K

G

G

-

K

G

S

V

A

L

L

K

H

E

G

A

A

K

R

I

V

D

N

S

T

H

F

G

G

D

D

H
|
H

R
|
R

I

I

A

G

M

M

S

M

F

T

I

A

I

I

A

A

G

A

V

L

T

L

C

V

G

A

-

D

-

G

-

E

M

V

R

E

V

L

D

D

D

R

I

A

A

E

C

A

I

I

N

N

T
|
T

S

S

F

Y

P

P

N

S

F

F

E

D

L

D

L

L

K

E

K

S

I

L

active site: K20 (= K23), S21 (= S24), D47 (= D50), N90 (= N90), D115 (≠ E115), R120 (= R120), D312 (= D312), E340 (= E340), H384 (= H383), R385 (= R384), T412 (= T408)
binding (3r,4s,5r)-5-{[(1r)-1-carboxy-2-fluoro-1-(phosphonooxy)ethyl]oxy}-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid: K20 (= K23), S21 (= S24), R25 (= R28), G92 (= G92), T93 (= T93), R120 (= R120), S166 (= S165), A167 (= A166), Q168 (= Q167), R193 (= R192), D312 (= D312), K339 (= K339), E340 (= E340), R343 (= R343), H384 (= H383), R385 (= R384)

Q9R4E4 3-phosphoshikimate 1-carboxyvinyltransferase; 5-enolpyruvylshikimate-3-phosphate synthase; EPSP synthase; EPSPS; CP4 EPSP synthase; EC 2.5.1.19 from Agrobacterium sp. (strain CP4) (see paper)
40% identity, 96% coverage: 16:426/428 of query aligns to 21:450/455 of Q9R4E4

query
sites
Q9R4E4

T

T

S

V

E

R

I

I

A

P

S

G

D

D

K

K

S
|
S

I

I

S

S

H

H

R
|
R

C

S

A

F

M

M

F

F

A

G

M

G

L

L

A

A

D

S

G

G

T

E

S

T

Q

R

I

I

T

T

N

G

F

L

L

L

R

E

A

G

E

E

D

D

T

V

M

I

N

N

S

T

L

G

K

K

I

A

V

M

K

Q

N

A

L

M

G

G

A

A

T

R

I

I

D

R

D

K

D

E

G

G

E

D

T

T

I

W

-

I

-

D

K

G

I

V

S

G

S

N

D

G

G

G

I

L

K

L

E

A

S

P

S

E

E

A

V

P

L

L

D

D

C

F

G

G

N

N

S

A

G
x
A

T

T

G

G

M

C

R

R

L

L

F

T

C

M

G

G

L

L

L

V

S

G

S

V

A

Y

D

D

G

F

H

D

F

S

V

T

L

F

S

I

G

G

D

D

E

A

Y

S

L

L

R

T

R

K

R

R

P

P

M

M

K

G

R

R

I

V

T

L

A

N

P

P

L

L

R

R

D

E

I

M

G

G

A

V

K

Q

L

V

D

K

G

-

R

S

E

E

N

D

G

G

D

D

L

R

A

L

P

P

L

V

S

T

I

L

R

R

G

G

A

P

-

K

S

T

L

P

K

T

A

P

F

I

N

T

Y

Y

E

R

S

V

K

P

I

M

A

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

A

A

M

V

I

L

L

L

A

A

A

G

L

L

R

N

A

T

D

P

G

G

E

I

C

T

S

T

F

V

S

I

E

E

P

P

E

I

L

M

S

T

R

R

D

D

H

H

T

T

E

E

R

K

M

M

L

L

K

Q

G

G

M

F

G

G

A

A

E

N

I

L

E

T

V

V

E

E

-

T

-

D

-

A

-

D

G

G

L

V

I

R

T

T

K

I

I

R

K

L

P

E

M

G

K

R

K

G

L

K

L

L

S

T

P

G

L

Q

K

V

I

I

R

D

V

V

P

P

A

G

D

D

P

P

S

S

A

T

F

A

F

F

F

P

A

L

V

V

A

A

A

L

I

L

T

V

P

P

N

G

S

S

N

D

V

V

V

T

L

I

E

L

G

N

V

V

T

L

L

M

N

N

P

P

T

T

R

R

I

T

E

G

A

L

F

I

K

L

A

T

L

L

E

Q

R

E

M

M

G

G

A

A

D

D

I

I

-

E

-

V

-

I

-

N

-

P

R

R

Y

L

E

A

A

G

T

G

E

E

N

D

I

V

Y

A

E

D

P

-

I

-

G

-

N

-

I

L

H

R

V

V

K

R

Y

S

A

S

P

T

L

L

K

K

A

G

I

V

T

T

V

V

-

P

E

E

D

D

N

R

I

A

S

P

W

S

L

M

I

I

D
|
D

E

E

L

Y

P

P

A

I

L

L

S

A

I

V

A

A

F

A

A

A

C

F

A

A

D

E

G

G

V

A

S

T

I

V

V

M

K

N

N

G

A

L

Q

E

E

E

L

L

R

R

V

V

K
|
K

E

E

S

S

D

D

R

R

I

L

S

S

T

A

V

V

V

A

N

N

G

G

L

L

K

K

A

L

C

N

G

G

I

V

E

D

V

C

D

D

E

E

V

G

H

E

D

T

G

S

Y

L

S

V

V

V

K

R

G

G

-

R

-

P

-

D

-

G

-

K

-

G

-

L

G

G

V

N

L

A

K

S

E

G

A

A

K

A

I

V

D

A

S

T

H

H

G

L

D

D

H

H

R

R

I

I

A

A

M

M

S

S

F

F

I

L

I

V

A

M

G

G

V

L

T

V

C

S

-

E

-

N

G

P

M

V

R

T

V

V

D

D

I

A

A

T

C

M

I

I

N

A

T

T

S

S

F

F

P

P

N

E

F

F

F

M

E

D

L

L

L

M

K

A

K

G

I

L

-

G

T

A

K

K

V

I

E

E

F

L

T

S

S29 (= S24) binding 3-phosphoshikimate
R33 (= R28) binding 3-phosphoshikimate
A100 (≠ G92) mutation to G: Confers sensitivity to glyphosate allowing glyphosate to bind in its extended, inhibitory conformation.
S173 (= S165) binding 3-phosphoshikimate
A174 (= A166) binding 3-phosphoshikimate
Q175 (= Q167) binding 3-phosphoshikimate
D326 (= D312) binding 3-phosphoshikimate
K353 (= K339) binding 3-phosphoshikimate

2pqcA Cp4 epsps liganded with (r)-phosphonate tetrahedral reaction intermediate analog (see paper)
40% identity, 96% coverage: 16:426/428 of query aligns to 16:445/445 of 2pqcA

query
sites
2pqcA

T

T

S

V

E

R

I

I

A

P

S

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

C

S

A

F

M

M

F

F

A

G

M

G

L

L

A

A

D

S

G

G

T

E

S

T

Q

R

I

I

T

T

N

G

F

L

L

L

R

E

A

G

E

E

D
|
D

T

V

M

I

N

N

S

T

L

G

K

K

I

A

V

M

K

Q

N

A

L

M

G

G

A

A

T

R

I

I

D

R

D

K

D

E

G

G

E

D

T

T

I

W

-

I

-

D

K

G

I

V

S

G

S

N

D

G

G

G

I

L

K

L

E

A

S

P

S

E

E

A

V

P

L

L

D

D

C

F

G

G

N
|
N

S

A

G

A

T
|
T

G

G

M

C

R

R

L

L

F

T

C

M

G

G

L

L

L

V

S

G

S

V

A

Y

D

D

G

F

H

D

F

S

V

T

L

F

S

I

G

G

D

D

E

A

Y

S

L

L

R

T

R

K

R
|
R

P

P

M

M

K

G

R

R

I

V

T

L

A

N

P

P

L

L

R

R

D

E

I

M

G

G

A

V

K

Q

L

V

D

K

G

-

R

S

E

E

N

D

G

G

D

D

L

R

A

L

P

P

L

V

S

T

I

L

R

R

G

G

A

P

-

K

S

T

L

P

K

T

A

P

F

I

N

T

Y

Y

E

R

S

V

K

P

I

M

A

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

A

A

M

V

I

L

L

L

A

A

A

G

L

L

R

N

A

T

D

P

G

G

E

I

C

T

S

T

F

V

S

I

E

E

P

P

E

I

L

M

S

T

R

R

D

D

H

H

T

T

E

E

R

K

M

M

L

L

K

Q

G

G

M

F

G

G

A

A

E

N

I

L

E

T

V

V

E

E

-

T

-

D

-

A

-

D

G

G

L

V

I

R

T

T

K

I

I

R

K

L

P

E

M

G

K

R

K

G

L

K

L

L

S

T

P

G

L

Q

K

V

I

I

R

D

V

V

P

P

A

G

D

D

P

P

S

S

A

T

F

A

F

F

F

P

A

L

V

V

A

A

A

L

I

L

T

V

P

P

N

G

S

S

N

D

V

V

V

T

L

I

E

L

G

N

V

V

T

L

L

M

N

N

P

P

T

T

R

R

I

T

E

G

A

L

F

I

K

L

A

T

L

L

E

Q

R

E

M

M

G

G

A

A

D

D

I

I

-

E

-

V

-

I

-

N

-

P

R

R

Y

L

E

A

A

G

T

G

E

E

N

D

I

V

Y

A

E

D

P

-

I

-

G

-

N

-

I

L

H

R

V

V

K

R

Y

S

A

S

P

T

L

L

K

K

A

G

I

V

T

T

V

V

-

P

E

E

D

D

N

R

I

A

S

P

W

S

L

M

I

I

D
|
D

E

E

L

Y

P

P

A

I

L

L

S

A

I

V

A

A

F

A

A

A

C

F

A

A

D

E

G

G

V

A

S

T

I

V

V

M

K

N

N

G

A

L

Q

E

E

E

L

L

R

R

V

V

K
|
K

E
|
E

S

S

D

D

R
|
R

I

L

S

S

T

A

V

V

V

A

N

N

G

G

L

L

K

K

A

L

C

N

G

G

I

V

E

D

V

C

D

D

E

E

V

G

H

E

D

T

G

S

Y

L

S

V

V

V

K

R

G

G

-

R

-

P

-

D

-

G

-

K

-

G

-

L

G

G

V

N

L

A

K

S

E

G

A

A

K

A

I

V

D

A

S

T

H

H

G

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

S

F

F

I

L

I

V

A

M

G

G

V

L

T

V

C

S

-

E

-

N

G

P

M

V

R

T

V

V

D

D

I

A

A

T

C

M

I

I

N

A

T
|
T

S

S

F

F

P

P

N

E

F

F

F

M

E

D

L

L

L

M

K

A

K

G

I

L

-

G

T

A

K

K

V

I

E

E

F

L

T

S

active site: K23 (= K23), S24 (= S24), D50 (= D50), N93 (= N90), R123 (= R120), D321 (= D312), E349 (= E340), H399 (= H383), R400 (= R384), T426 (= T408)
binding [3r-[3a,4a,5b(r*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid: K23 (= K23), S24 (= S24), R28 (= R28), T96 (= T93), R123 (= R120), S168 (= S165), Q170 (= Q167), D321 (= D312), K348 (= K339), E349 (= E340), R352 (= R343), R400 (= R384)

2pqbA Cp4 epsps liganded with (r)-difluoromethyl tetrahedral intermediate analog (see paper)
40% identity, 96% coverage: 16:426/428 of query aligns to 16:445/445 of 2pqbA

query
sites
2pqbA

T

T

S

V

E

R

I

I

A

P

S

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

C

S

A

F

M

M

F

F

A

G

M

G

L

L

A

A

D

S

G

G

T

E

S

T

Q

R

I

I

T

T

N

G

F

L

L

L

R

E

A

G

E

E

D
|
D

T

V

M

I

N

N

S

T

L

G

K

K

I

A

V

M

K

Q

N

A

L

M

G

G

A

A

T

R

I

I

D

R

D

K

D

E

G

G

E

D

T

T

I

W

-

I

-

D

K

G

I

V

S

G

S

N

D

G

G

G

I

L

K

L

E

A

S

P

S

E

E

A

V

P

L

L

D

D

C

F

G

G

N
|
N

S

A

G
x
A

T
|
T

G

G

M

C

R

R

L

L

F

T

C

M

G

G

L

L

L

V

S

G

S

V

A

Y

D

D

G

F

H

D

F

S

V

T

L

F

S

I

G

G

D

D

E

A

Y

S

L

L

R

T

R

K

R
|
R

P

P

M

M

K

G

R

R

I

V

T

L

A

N

P

P

L

L

R

R

D

E

I

M

G

G

A

V

K

Q

L

V

D

K

G

-

R

S

E

E

N

D

G

G

D

D

L

R

A

L

P

P

L

V

S

T

I

L

R

R

G

G

A

P

-

K

S

T

L

P

K

T

A

P

F

I

N

T

Y

Y

E

R

S

V

K

P

I

M

A

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

A

A

M

V

I

L

L

L

A

A

A

G

L

L

R

N

A

T

D

P

G

G

E

I

C

T

S

T

F

V

S

I

E

E

P

P

E

I

L

M

S

T

R

R

D

D

H

H

T

T

E

E

R

K

M

M

L

L

K

Q

G

G

M

F

G

G

A

A

E

N

I

L

E

T

V

V

E

E

-

T

-

D

-

A

-

D

G

G

L

V

I

R

T

T

K

I

I

R

K

L

P

E

M

G

K

R

K

G

L

K

L

L

S

T

P

G

L

Q

K

V

I

I

R

D

V

V

P

P

A

G

D

D

P

P

S

S

A

T

F

A

F

F

F

P

A

L

V

V

A

A

A

L

I

L

T

V

P

P

N

G

S

S

N

D

V

V

V

T

L

I

E

L

G

N

V

V

T

L

L

M

N

N

P

P

T

T

R

R

I

T

E

G

A

L

F

I

K

L

A

T

L

L

E

Q

R

E

M

M

G

G

A

A

D

D

I

I

-

E

-

V

-

I

-

N

-

P

R

R

Y

L

E

A

A

G

T

G

E

E

N

D

I

V

Y

A

E

D

P

-

I

-

G

-

N

-

I

L

H

R

V

V

K

R

Y

S

A

S

P

T

L

L

K

K

A

G

I

V

T

T

V

V

-

P

E

E

D

D

N

R

I

A

S

P

W

S

L

M

I

I

D
|
D

E

E

L

Y

P

P

A

I

L

L

S

A

I

V

A

A

F

A

A

A

C

F

A

A

D

E

G

G

V

A

S

T

I

V

V

M

K

N

N

G

A

L

Q

E

E

E

L

L

R

R

V

V

K
|
K

E
|
E

S

S

D

D

R
|
R

I

L

S

S

T

A

V

V

V

A

N

N

G

G

L

L

K

K

A

L

C

N

G

G

I

V

E

D

V

C

D

D

E

E

V

G

H

E

D

T

G

S

Y

L

S

V

V

V

K

R

G

G

-

R

-

P

-

D

-

G

-

K

-

G

-

L

G

G

V

N

L

A

K

S

E

G

A

A

K

A

I

V

D

A

S

T

H

H

G

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

S

F

F

I

L

I

V

A

M

G

G

V

L

T

V

C

S

-

E

-

N

G

P

M

V

R

T

V

V

D

D

I

A

A

T

C

M

I

I

N

A

T
|
T

S

S

F

F

P

P

N

E

F

F

F

M

E

D

L

L

L

M

K

A

K

G

I

L

-

G

T

A

K

K

V

I

E

E

F

L

T

S

active site: K23 (= K23), S24 (= S24), D50 (= D50), N93 (= N90), R123 (= R120), D321 (= D312), E349 (= E340), H399 (= H383), R400 (= R384), T426 (= T408)
binding (3r,4s,5r)-5-[(1r)-1-carboxy-2,2-difluoro-1-(phosphonooxy)ethoxy]-4-hydroxy-3-(phosphonooxy)cyclohex-1-ene-1-carboxylic acid: K23 (= K23), S24 (= S24), R28 (= R28), A95 (≠ G92), T96 (= T93), R123 (= R120), S168 (= S165), Q170 (= Q167), D321 (= D312), K348 (= K339), E349 (= E340), R352 (= R343), R400 (= R384)

2ggaA Cp4 epsp synthase liganded with s3p and glyphosate (see paper)
40% identity, 96% coverage: 16:426/428 of query aligns to 16:445/445 of 2ggaA

query
sites
2ggaA

T

T

S

V

E

R

I

I

A

P

S

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

C

S

A

F

M

M

F

F

A

G

M

G

L

L

A

A

D

S

G

G

T

E

S

T

Q

R

I

I

T

T

N

G

F

L

L

L

R

E

A

G

E

E

D
|
D

T

V

M

I

N

N

S

T

L

G

K

K

I

A

V

M

K

Q

N

A

L

M

G

G

A

A

T

R

I

I

D

R

D

K

D

E

G

G

E

D

T

T

I

W

-

I

-

D

K

G

I

V

S

G

S

N

D

G

G

G

I

L

K

L

E

A

S

P

S

E

E

A

V

P

L

L

D

D

C

F

G

G

N
|
N

S
x
A

G
x
A

T
|
T

G

G

M

C

R

R

L

L

F

T

C

M

G

G

L

L

L

V

S

G

S

V

A

Y

D

D

G

F

H

D

F

S

V

T

L

F

S

I

G

G

D

D

E

A

Y

S

L

L

R

T

R

K

R
|
R

P

P

M

M

K

G

R

R

I

V

T

L

A

N

P

P

L

L

R

R

D

E

I

M

G

G

A

V

K

Q

L

V

D

K

G

-

R

S

E

E

N

D

G

G

D

D

L

R

A

L

P

P

L

V

S

T

I

L

R

R

G

G

A

P

-

K

S

T

L

P

K

T

A

P

F

I

N

T

Y

Y

E

R

S

V

K

P

I

M

A

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

A

A

M

V

I

L

L

L

A

A

A

G

L

L

R

N

A

T

D

P

G

G

E

I

C

T

S

T

F

V

S

I

E

E

P

P

E

I

L

M

S

T

R
|
R

D

D

H

H

T

T

E

E

R

K

M

M

L

L

K

Q

G

G

M

F

G

G

A

A

E

N

I

L

E

T

V

V

E

E

-

T

-

D

-

A

-

D

G

G

L

V

I

R

T

T

K

I

I

R

K

L

P

E

M

G

K

R

K

G

L

K

L

L

S

T

P

G

L

Q

K

V

I

I

R

D

V

V

P

P

A

G

D

D

P

P

S

S

A

T

F

A

F

F

F

P

A

L

V

V

A

A

A

L

I

L

T

V

P

P

N

G

S

S

N

D

V

V

V

T

L

I

E

L

G

N

V

V

T

L

L

M

N

N

P

P

T

T

R

R

I

T

E

G

A

L

F

I

K

L

A

T

L

L

E

Q

R

E

M

M

G

G

A

A

D

D

I

I

-

E

-

V

-

I

-

N

-

P

R

R

Y

L

E

A

A

G

T

G

E

E

N

D

I

V

Y

A

E

D

P

-

I

-

G

-

N

-

I

L

H

R

V

V

K

R

Y

S

A

S

P

T

L

L

K

K

A

G

I

V

T

T

V

V

-

P

E

E

D

D

N

R

I

A

S

P

W

S

L

M

I

I

D
|
D

E

E

L

Y

P

P

A

I

L

L

S

A

I

V

A

A

F

A

A

A

C

F

A

A

D

E

G

G

V

A

S

T

I

V

V

M

K

N

N

G

A

L

Q

E

E

E

L

L

R

R

V

V

K
|
K

E
|
E

S

S

D

D

R
|
R

I

L

S

S

T

A

V

V

V

A

N

N

G

G

L

L

K

K

A

L

C

N

G

G

I

V

E

D

V

C

D

D

E

E

V

G

H

E

D

T

G

S

Y

L

S

V

V

V

K

R

G

G

-

R

-

P

-

D

-

G

-

K

-

G

-

L

G

G

V

N

L

A

K

S

E

G

A

A

K

A

I

V

D

A

S

T

H

H

G

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

S

F

F

I

L

I

V

A

M

G

G

V

L

T

V

C

S

-

E

-

N

G

P

M

V

R

T

V

V

D

D

I

A

A

T

C

M

I

I

N

A

T
|
T

S

S

F

F

P

P

N

E

F

F

F

M

E

D

L

L

L

M

K

A

K

G

I

L

-

G

T

A

K

K

V

I

E

E

F

L

T

S

active site: K23 (= K23), S24 (= S24), D50 (= D50), N93 (= N90), R123 (= R120), D321 (= D312), E349 (= E340), H399 (= H383), R400 (= R384), T426 (= T408)
binding glyphosate: K23 (= K23), A94 (≠ S91), A95 (≠ G92), T96 (= T93), R123 (= R120), D321 (= D312), E349 (= E340), R352 (= R343), R400 (= R384)
binding shikimate-3-phosphate: S24 (= S24), R28 (= R28), S168 (= S165), A169 (= A166), Q170 (= Q167), R195 (= R192), D321 (= D312), K348 (= K339)

2gg6A Cp4 epsp synthase liganded with s3p (see paper)
40% identity, 96% coverage: 16:426/428 of query aligns to 16:445/445 of 2gg6A

query
sites
2gg6A

T

T

S

V

E

R

I

I

A

P

S

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

C

S

A

F

M

M

F

F

A

G

M

G

L

L

A

A

D

S

G

G

T

E

S

T

Q

R

I

I

T

T

N

G

F

L

L

L

R

E

A

G

E

E

D
|
D

T

V

M

I

N

N

S

T

L

G

K

K

I

A

V

M

K

Q

N

A

L

M

G

G

A

A

T

R

I

I

D

R

D

K

D

E

G

G

E

D

T

T

I

W

-

I

-

D

K

G

I

V

S

G

S

N

D

G

G

G

I

L

K

L

E

A

S

P

S

E

E

A

V

P

L

L

D

D

C

F

G

G

N
|
N

S

A

G

A

T
|
T

G

G

M

C

R

R

L

L

F

T

C

M

G

G

L

L

L

V

S

G

S

V

A

Y

D

D

G

F

H

D

F

S

V

T

L

F

S

I

G

G

D

D

E

A

Y

S

L

L

R

T

R

K

R
|
R

P

P

M

M

K

G

R

R

I

V

T

L

A

N

P

P

L

L

R

R

D

E

I

M

G

G

A

V

K

Q

L

V

D

K

G

-

R

S

E

E

N

D

G

G

D

D

L

R

A

L

P

P

L

V

S

T

I

L

R

R

G

G

A

P

-

K

S

T

L

P

K

T

A

P

F

I

N

T

Y

Y

E

R

S

V

K

P

I

M

A

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

A

A

M

V

I

L

L

L

A

A

A

G

L

L

R

N

A

T

D

P

G

G

E

I

C

T

S

T

F

V

S

I

E

E

P

P

E

I

L

M

S

T

R

R

D

D

H

H

T

T

E

E

R

K

M

M

L

L

K

Q

G

G

M

F

G

G

A

A

E

N

I

L

E

T

V

V

E

E

-

T

-

D

-

A

-

D

G

G

L

V

I

R

T

T

K

I

I

R

K

L

P

E

M

G

K

R

K

G

L

K

L

L

S

T

P

G

L

Q

K

V

I

I

R

D

V

V

P

P

A

G

D

D

P

P

S

S

A

T

F

A

F

F

F

P

A

L

V

V

A

A

A

L

I

L

T

V

P

P

N

G

S

S

N

D

V

V

V

T

L

I

E

L

G

N

V

V

T

L

L

M

N

N

P

P

T

T

R

R

I

T

E

G

A

L

F

I

K

L

A

T

L

L

E

Q

R

E

M

M

G

G

A

A

D

D

I

I

-

E

-

V

-

I

-

N

-

P

R

R

Y

L

E

A

A

G

T

G

E

E

N

D

I

V

Y

A

E

D

P

-

I

-

G

-

N

-

I

L

H

R

V

V

K

R

Y

S

A

S

P

T

L

L

K

K

A

G

I

V

T

T

V

V

-

P

E

E

D

D

N

R

I

A

S

P

W

S

L

M

I

I

D
|
D

E

E

L

Y

P

P

A

I

L

L

S

A

I

V

A

A

F

A

A

A

C

F

A

A

D

E

G

G

V

A

S

T

I

V

V

M

K

N

N

G

A

L

Q

E

E

E

L

L

R

R

V

V

K
|
K

E
|
E

S

S

D

D

R

R

I

L

S

S

T

A

V

V

V

A

N

N

G

G

L

L

K

K

A

L

C

N

G

G

I

V

E

D

V

C

D

D

E

E

V

G

H

E

D

T

G

S

Y

L

S

V

V

V

K

R

G

G

-

R

-

P

-

D

-

G

-

K

-

G

-

L

G

G

V

N

L

A

K

S

E

G

A

A

K

A

I

V

D

A

S

T

H

H

G

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

S

F

F

I

L

I

V

A

M

G

G

V

L

T

V

C

S

-

E

-

N

G

P

M

V

R

T

V

V

D

D

I

A

A

T

C

M

I

I

N

A

T
|
T

S

S

F

F

P

P

N

E

F

F

F

M

E

D

L

L

L

M

K

A

K

G

I

L

-

G

T

A

K

K

V

I

E

E

F

L

T

S

active site: K23 (= K23), S24 (= S24), D50 (= D50), N93 (= N90), R123 (= R120), D321 (= D312), E349 (= E340), H399 (= H383), R400 (= R384), T426 (= T408)
binding shikimate-3-phosphate: S24 (= S24), R28 (= R28), T96 (= T93), S168 (= S165), Q170 (= Q167), D321 (= D312), K348 (= K339)

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
28% identity, 93% coverage: 23:422/428 of query aligns to 22:426/426 of 3nvsA

query
sites
3nvsA

K
|
K

S
|
S

I

V

S

S

H

N

R
|
R

C

A

A

L

M

L

F

L

A

A

M

A

L

L

A

A

D

S

G

G

T

T

S

T

Q

R

I

L

T

T

N

N

F

L

L

L

R

D

A

S

E

D

D
|
D

T

I

M

R

N

H

S

M

L

L

K

N

I

A

V

L

K

T

N

K

L

L

G

G

A

V

T

N

I

Y

D

R

D

L

D

S

G

A

E

D

T

K

I

T

K

T

I

C

S

E

S

V

D

E

G

G

I

L

K

G

E

Q

S

A

S

F

E

H

V

T

-

T

-

Q

-

P

-

L

-

E

L

L

D

F

C

L

G

G

N
|
N

S

A

G
|
G

T
|
T

G

A

M

M

R

R

L

P

F

L

C

A

G

A

L

A

L

L

S

C

S

L

A

G

D

Q

G

G

H

D

F

Y

V

V

L

L

S

T

G

G

D

E

E
x
P

Y

R

L

M

R

K

R
x
E

R
|
R

P

P

M

I

K

G

R
x
H

I

L

T

V

A

D

P

A

L

L

R

R

D
x
Q

I

A

G

G

A

A

K

Q

L

I

D

E

G
x
Y

R

L

E
|
E

N
x
Q

G

E

D

N

L

F

A

P

P

P

L

L

S

R

I

I

R

Q

G

G

A

T

S

G

L

L

K

Q

A

A

-

G

-

T

F

V

N

T

Y

I

E

D

S

G

K

S

I

I

A

-

S
|
S

A
x
S

Q
|
Q

V

F

K

L

S

T

A

A

M

F

I

L

L

M

A

S

A

A

L

P

R

L

A

A

D

Q

G

G

E

K

C

V

S

T

F

I

-

K

-

I

-

V

-

G

-

E

-

L

-

V

S
|
S

E

K

P

P

E
x
Y

L

I

S

-

R

-

D

D

H

I

T

T

E

L

R

H

M

I

L

M

K

E

G

Q

M

F

G

G

A

V

E

Q

I

V

E

I

V

N

E

H

G

D

L

Y

I

Q

T

E

K

F

I

V

K

I

P

P

M

A

-

G

K

Q

K

S

L

Y

L

V

S

S

P

P

L

G

K

Q

I

F

R

L

V

V

P

E

A

G

D

D

P

A

S

S

A
|
A

F

S

F

Y

F

F

A

L

V

A

A

A

A
|
A

I

I

T

K

P

-

N

G

S

G

N

E

V

V

V

K

L

V

E

T

G

G

V

I

T

G

L

K

N

N

P

S

T

I

R

Q

-

G

-

D

I

I

E

Q

A

F

F

A

K

D

A

A

L

L

E

E

R

K

M

M

G

G

A

A

D

Q

I

I

R

E

Y

W

E

-

A

-

T

-

E

-

N

-

I

-

Y

-

E

-

P

-

I

-

G

G

N

D

I

D

H

Y

V

V

-

I

-

A

K

R

Y

R

A

G

P

E

L

L

K

N

A

A

I

V

T

D

V

L

E

D

D

F

N

N

I

-

S

-

W

-

L

-

I

-

D

-

E

H

L

I

P

P

-
x
D

-

A

A

A

L

M

S

T

I

I

A

A

F

T

A

T

C

A

-

L

-

F

A

A

D

K

G

G

V

T

S

T

I

A

V

I

K

R

N

N

A

V

Q

Y

E
x
N

L

W

R

R

V

V

K
|
K

E
|
E

S

T

D

D

R
|
R

I

L

S

A

T

A

V

M

V

A

N

T

G

E

L

L

K

R

A

K

C

V

G

G

I

A

E

T

V

V

D

E

E

E

V

G

H

E

D

D

G

F

Y

I

S

V

V

I

K

T

G

P

V

T

-

K

L

L

K

I

E

H

A

A

K

A

I

I

D

D

S

T

H

Y

G

D

D

D

H
|
H

R
|
R

I

M

A

A

M

M

S

C

F

F

-

S

I

L

I

V

A

A

G

L

V

S

T

D

C

T

G

P

M

V

R

T

V

I

D

N

D

D

I

P

A

K

C

C

I

T

N

S

T
x
K

S

T

F

F

P

P

N

D

F

Y

F

F

E

D

L

K

L

F

K

A

K

Q

I

L

T

S

K

R

active site: K22 (= K23), S23 (= S24), D49 (= D50), N94 (= N90), P119 (≠ E115), R124 (= R120), H128 (≠ R124), Q135 (≠ D131), Y142 (≠ G138), E144 (= E140), A247 (= A236), A255 (= A244), D314 (vs. gap), E342 (= E340), H386 (= H383), R387 (= R384), K412 (≠ T408)
binding glyphosate: K22 (= K23), G96 (= G92), R124 (= R120), Q172 (= Q167), D314 (vs. gap), E342 (= E340), R345 (= R343), H386 (= H383), R387 (= R384)
binding magnesium ion: E123 (≠ R119), Q145 (≠ N141)
binding shikimate-3-phosphate: K22 (= K23), S23 (= S24), R27 (= R28), T97 (= T93), S170 (= S165), S171 (≠ A166), Q172 (= Q167), S198 (= S186), Y201 (≠ E189), D314 (vs. gap), N337 (≠ E335), K341 (= K339)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S23 (= S24), R27 (= R28), Q172 (= Q167), Y201 (≠ E189), D314 (vs. gap), K341 (= K339)

Q9KRB0 3-phosphoshikimate 1-carboxyvinyltransferase; 5-enolpyruvylshikimate-3-phosphate synthase; EPSP synthase; EPSPS; EC 2.5.1.19 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
28% identity, 93% coverage: 23:422/428 of query aligns to 22:426/426 of Q9KRB0

query
sites
Q9KRB0

K
|
K

S
|
S

I

V

S

S

H

N

R
|
R

C

A

A

L

M

L

F

L

A

A

M

A

L

L

A

A

D

S

G

G

T

T

S

T

Q

R

I

L

T

T

N

N

F

L

L

L

R

D

A

S

E

D

D

D

T

I

M

R

N

H

S

M

L

L

K

N

I

A

V

L

K

T

N

K

L

L

G

G

A

V

T

N

I

Y

D

R

D

L

D

S

G

A

E

D

T

K

I

T

K

T

I

C

S

E

S

V

D

E

G

G

I

L

K

G

E

Q

S

A

S

F

E

H

V

T

-

T

-

Q

-

P

-

L

-

E

L

L

D

F

C

L

G

G

N

N

S

A

G

G

T

T

G

A

M

M

R

R

L

P

F

L

C

A

G

A

L

A

L

L

S

C

S

L

A

G

D

Q

G

G

H

D

F

Y

V

V

L

L

S

T

G

G

D

E

E

P

Y

R

L

M

R

K

R

E

R

R

P

P

M

I

K

G

R

H

I

L

T

V

A

D

P

A

L

L

R

R

D

Q

I

A

G

G

A

A

K

Q

L

I

D

E

G

Y

R

L

E

E

N

Q

G

E

D

N

L

F

A

P

P

P

L

L

S

R

I

I

R

Q

G

G

A

T

S

G

L

L

K

Q

A

A

-

G

-

T

F

V

N

T

Y

I

E

D

S

G

K

S

I

I

A

-

S
|
S

A
x
S

Q

Q

V

F

K

L

S

T

A

A

M

F

I

L

L

M

A

S

A

A

L

P

R

L

A

A

D

Q

G

G

E

K

C

V

S

T

F

I

-

K

-

I

-

V

-

G

-

E

-

L

-

V

S
|
S

E

K

P

P

E

Y

L

I

S

-

R

-

D

D

H

I

T

T

E

L

R

H

M

I

L

M

K

E

G

Q

M

F

G

G

A

V

E

Q

I

V

E

I

V

N

E

H

G

D

L

Y

I

Q

T

E

K

F

I

V

K

I

P

P

M

A

-

G

K

Q

K

S

L

Y

L

V

S

S

P

P

L

G

K

Q

I

F

R

L

V

V

P

E

A

G

D

D

P

A

S

S

A

A

F

S

F

Y

F

F

A

L

V

A

A

A

I

I

T

K

P

-

N

G

S

G

N

E

V

V

V

K

L

V

E

T

G

G

V

I

T

G

L

K

N

N

P

S

T

I

R

Q

-

G

-

D

I

I

E

Q

A

F

F

A

K

D

A

A

L

L

E

E

R

K

M

M

G

G

A

A

D

Q

I

I

R

E

Y

W

E

-

A

-

T

-

E

-

N

-

I

-

Y

-

E

-

P

-

I

-

G

G

N

D

I

D

H

Y

V

V

-

I

-

A

K

R

Y

R

A

G

P

E

L

L

K

N

A

A

I

V

T

D

V

L

E

D

D

F

N

N

I

-

S

-

W

-

L

-

I

-

D

-

E

H

L

I

P

P

-
x
D

-

A

A

A

L

M

S

T

I

I

A

A

F

T

A

T

C

A

-

L

-

F

A

A

D

K

G

G

V

T

S

T

I

A

V

I

K

R

N

N

A

V

Q

Y

E
x
N

L

W

R

R

V

V

K
|
K

E

E

S

T

D

D

R

R

I

L

S

A

T

A

V

M

V

A

N

T

G

E

L

L

K

R

A

K

C

V

G

G

I

A

E

T

V

V

D

E

E

E

V

G

H

E

D

D

G

F

Y

I

S

V

V

I

K

T

G

P

V

T

-

K

L

L

K

I

E

H

A

A

K

A

I

I

D

D

S

T

H

Y

G

D

D

D

H

H

R

R

I

M

A

A

M

M

S

C

F

F

-

S

I

L

I

V

A

A

G

L

V

S

T

D

C

T

G

P

M

V

R

T

V

I

D

N

D

D

I

P

A

K

C

C

I

T

N

S

T

K

S

T

F

F

P

P

N

D

F

Y

F

F

E

D

L

K

L

F

K

A

K

Q

I

L

T

S

K

R

K22 (= K23) binding 3-phosphoshikimate
S23 (= S24) binding 3-phosphoshikimate
R27 (= R28) binding 3-phosphoshikimate
S170 (= S165) binding 3-phosphoshikimate
S171 (≠ A166) binding 3-phosphoshikimate
S198 (= S186) binding 3-phosphoshikimate
D314 (vs. gap) binding 3-phosphoshikimate
N337 (≠ E335) binding 3-phosphoshikimate
K341 (= K339) binding 3-phosphoshikimate

7tm5B Crystal structure of shikimate-3-phosphate bound 3-phosphoshikimate 1- carboxyvinyltransferase from klebsiella pneumoniae
28% identity, 95% coverage: 16:423/428 of query aligns to 15:426/427 of 7tm5B

query
sites
7tm5B

T

T

S

V

E

N

I

L

A

P

S

G

D

S

K
|
K

S
|
S

I

V

S

S

H

N

R
|
R

C

A

A

L

M

L

F

L

A

A

M

A

L

L

A

A

D

R

G

G

T

T

S

T

Q

V

I

L

T

T

N

N

F

L

L

L

R

D

A

S

E

D

D

D

T

V

M

R

N

H

S

M

L

L

K

N

I

A

V

L

K

S

N

A

L

L

G

G

A

V

-

Q

-

Y

T

T

I

L

D

S

D

A

D

D

G

R

E

T

T

R

I

C

K

E

I

V

S

T

S

G

D

N

G

G

-

G

-

P

I

L

K

R

E

S

S

A

E

A

V

L

-

E

L

L

D

F

C

L

G

G

N

N

S

A

G

G

T

T

G

A

M

M

R

R

L

P

F

L

C

A

G

A

L

A

L

L

S

C

S

L

A

G

D

S

G

N

H

D

F

I

V

V

L

L

S

T

G

G

D

E

E

P

Y

R

L

M

R

K

R

E

R

R

P

P

M

I

K

G

R

H

I

L

T

V

A

D

P

A

L

L

R

R

D

Q

I

G

G

G

A

A

K

Q

L

I

D

D

G

C

R

L

E

E

N

Q

G

E

D

N

L

Y

A

P

P

P

L

L

S

R

I

L

R

R

G

G

A

G

S

-

L

F

K

Q

A

G

F

G

N

N

Y

V

E

E

-

V

S

D

K

G

I

S

A

V

S
|
S

A
x
S

Q
|
Q

V

F

K

L

S

T

A

A

M

L

I

L

L

M

A

T

A

A

L

P

R

L

A

A

D

P

G

Q

E

D

C

T

S

V

F

I

-

V

-

I

-

K

-

G

-

D

-

L

-

V

S
|
S

E

K

P

P

E
x
Y

L

I

S

-

R

-

D

D

H

I

T

T

E

L

R

H

M

L

L

M

K

K

G

T

M

F

G

G

A

V

E

E

I

V

E

D

V

N

E

Q

G

S

L

Y

I

Q

T

R

-

F

K

V

I

V

K

R

P

G

M

K

K

Q

L

Y

L

Q

S

S

P

P

L

G

K

D

I

Y

R

L

V

V

P

E

A

G

D

D

P

A

S

S

A

A

F

S

F

Y

F

F

A

L

V

A

A

A

A

G

A

A

I

I

T

K

P

-

N

G

S

G

N

T

V

V

V

K

L

V

E

T

G

G

V

I

T

G

L

R

N

N

P

S

T

V

R

Q

-

G

-

D

I

I

E

R

A

F

F

A

K

D

A

V

L

L

E

E

R

K

M

M

G

G

A

A

D

T

I

V

R

T

Y

W

E

-

A

-

T

-

E

-

N

-

I

-

Y

-

E

-

P

-

I

-

G

G

N

D

-

D

-

F

I

I

H

A

V

C

K

T

Y

H

A

G

P

E

L

L

K

K

A

A

I

V

T

D

V

M

E

D

D

M

N

N

I

-

S

-

W

-

L

-

I

-

D

-

E

H

L

I

P

P

-
x
D

-

A

A

A

L

M

S

T

I

I

A

A

F

T

A

A

C

A

-

L

-

F

A

A

D

Q

G

G

V

T

S

T

I

T

V

L

K

R

N

N

A

I

Q

Y

E
x
N

L

W

R

R

V

V

K
|
K

E

E

S

T

D

D

R

R

I

L

S

F

T

A

V

M

V

A

N

T

G

E

L

L

K

R

A

K

C

V

G

G

I

A

E

E

V

V

D

E

E

E

V

G

H

E

D

D

G

Y

Y

I

S

R

V

I

K

T

G

P

V

A

-

K

L

L

K

K

E

Y

A

A

K

E

I

I

D

G

S

T

H

Y

G

N

D

D

H

H

R

R

I

M

A

A

M

M

S

C

F

F

-

S

I

L

I

V

A

A

G

L

V

S

T

D

C

T

G

P

M

V

R

T

V

I

D

L

D

D

I

P

A

K

C

C

I

T

N

A

T

K

S

T

F

F

P

P

N

D

F

Y

F

F

E

E

L

Q

L

L

K

A

K

R

I

I

T

S

K

T

V

L

binding shikimate-3-phosphate: K22 (= K23), S23 (= S24), R27 (= R28), S169 (= S165), S170 (≠ A166), Q171 (= Q167), S197 (= S186), Y200 (≠ E189), D313 (vs. gap), N336 (≠ E335), K340 (= K339)

P11043 3-phosphoshikimate 1-carboxyvinyltransferase, chloroplastic; 5-enolpyruvylshikimate-3-phosphate synthase; EPSP synthase; EC 2.5.1.19 from Petunia hybrida (Petunia) (see paper)
28% identity, 95% coverage: 16:422/428 of query aligns to 88:515/516 of P11043

query
sites
P11043

T

T

S

V

E

K

I

L

A

P

S

G

D

S

K

K

S

S

I

L

S

S

H

N

R

R

C

I

A

L

M

L

F

L

A

A

M

A

L

L

A

S

D

E

G

G

T

T

S

T

Q

V

I

V

T

D

N

N

F

L

L

L

R

S

A

S

E

D

D

D

T

I

M

H

N

Y

S

M

L

L

K

G

I

A

V

L

K

K

N

T

L

L

G

G

A

L

T

H

I

V

D

E

D

D

G

S

E

A

T

N

I

Q

K

R

I

A

S

V

D

E

G

G

I

C

-

G

-

L

-

F

-

P

-

V

-

G

K

K

E

E

S

S

S

K

E

E

V

E

L

I

D

Q

-

L

-

F

C

L

G

G

N

N

S

A

G
|
G

T

T

G

A

M

M

R

R

L

P

F

L

C

T

G

A

L

A

L

V

S

T

S

V

A

A

D

G

G

G

H

N

-

S

-

R

F

Y

V

V

L

L

S

D

G

G

D

V

E

P

Y

R

L

M

R

R

R

E

R

R

P

P

M

I

K

S

R

D

I

L

T

V

A

D

P

G

L

L

R

K

D

Q

I

L

G

G

A

A

K

E

L

V

D

D

G

C

R

F

E

L

N

G

G

T

D

K

L

C

A

P

P

P

L

V

S

R

I

I

-

V

-

S

R

K

G

G

A

G

S

L

L

P

K

G

A

G

F

K

N

V

Y

K

E

L

S

S

K

G

I

S

A

I

S

S

A

S

Q

Q

V

Y

K

L

S

T

A

A

M

L

I

L

L

M

A

A

L

P

R

L

A

A

D

L

G

G

-

D

-

V

E

E

C

I

S

E

F

I

S

I

E

D

P

K

E

L

L

I

S

S

R

V

D

P

H

Y

T

V

E

E

R

M

M

T

L

L

K

K

G

L

M

M

-

E

-

R

-

F

G

G

A

I

E

S

I

V

E

E

V

H

E

S

G

S

L

S

I

W

T

D

K

R

-

F

I

V

K

R

P

G

M

G

K

Q

K

K

L

Y

L

K

S

S

P

P

L

G

K

K

I

A

R

F

V

V

P

E

A

G

D

D

P

A

S

S

A

A

F

S

F

Y

F

F

A

L

V

A

A

G

A

A

I

V

T

T

P

-

N

G

S

G

N

T

V

I

V

T

L

V

E

E

G

G

V

C

T

G

L

T

N

N

P

S

T

L

R

Q

-

G

-

D

I

V

E

K

A

F

F

A

K

E

A

V

L

L

E

E

R

K

M

M

G

G

A

A

D

E

I

V

R

T

Y

W

E

-

A

-

T

T

E

E

N

N

I

-

Y

-

E

-

P

-

I

-

G

-

N

S

I

V

H

T

V

V

K

K

Y

G

A

P

P

P

-

R

-

S

-

G

-

R

-

K

-

H

L

L

K

R

A

A

I

I

T

D

V

V

E

-

D

-

N

N

I

M

S

N

W

K

L

M

I

P

D

D

E

V

L

A

P

M

A

T

L

L

S

A

I

V

A

V

F

A

A

L

C

Y

A

A

D

D

G

G

V

P

S

T

I

A

V

I

K

R

N

D

A

V

Q

A

E

S

L

W

R

R

V

V

K

K

E

E

S

T

D

E

R

R

I

M

S

I

T

A

V

I

V

C

N

T

G

E

L

L

K

R

A

K

C

L

G

G

I

A

E

T

V

V

D

E

E

E

V

G

H

P

D

D

G

-

Y

Y

S

C

V

I

-

I

-

T

K

P

G

P

G

E

V

K

L

L

K

N

E

V

A

T

K

D

I

I

D

D

S

T

H

Y

G

D

D

D

H

H

R

R

I

M

A

A

M

M

S

A

F

F

I

S

I

L

A

A

G

A

V

C

T

A

-

D

C

V

G

P

M

V

R

T

V

I

D

N

D

D

I

P

A

G

C

C

I

T

N

R

T

K

S

T

F

F

P

P

N

N

F

Y

F

F

E

D

L

V

L

L

K

Q

I

Y

T

S

K

K

G173 (= G92) mutation to A: This mutant becomes resistant to glyphosate due to a lower affinity. Shows a slight reduction in EPSP synthase activity.

7tm6A Crystal structure of shikimate-3-phosphate and glyphosate bound 3- phosphoshikimate 1-carboxyvinyltransferase from klebsiella pneumoniae
28% identity, 95% coverage: 16:423/428 of query aligns to 14:425/426 of 7tm6A

query
sites
7tm6A

T

T

S

V

E

N

I

L

A

P

S

G

D

S

K
|
K

S
|
S

I

V

S

S

H

N

R
|
R

C

A

A

L

M

L

F

L

A

A

M

A

L

L

A

A

D

R

G

G

T

T

S

T

Q

V

I

L

T

T

N

N

F

L

L

L

R

D

A

S

E

D

D

D

T

V

M

R

N

H

S

M

L

L

K

N

I

A

V

L

K

S

N

A

L

L

G

G

A

V

-

Q

-

Y

T

T

I

L

D

S

D

A

D

D

G

R

E

T

T

R

I

C

K

E

I

V

S

T

S

G

D

N

G

G

-

G

-

P

I

L

K

R

E

S

S

A

E

A

V

L

-

E

L

L

D

F

C

L

G

G

N

N

S

A

G
|
G

T
|
T

G

A

M

M

R

R

L

P

F

L

C

A

G

A

L

A

L

L

S

C

S

L

A

G

D

S

G

N

H

D

F

I

V

V

L

L

S

T

G

G

D

E

E

P

Y

R

L

M

R

K

R

E

R
|
R

P

P

M

I

K

G

R

H

I

L

T

V

A

D

P

A

L

L

R

R

D

Q

I

G

G

G

A

A

K

Q

L

I

D

D

G

C

R

L

E

E

N

Q

G

E

D

N

L

Y

A

P

P

P

L

L

S

R

I

L

R

R

G

G

A

G

S

-

L

F

K

Q

A

G

F

G

N

N

Y

V

E

E

-

V

S

D

K

G

I

S

A

V

S
|
S

A
x
S

Q
|
Q

V

F

K

L

S

T

A

A

M

L

I

L

L

M

A

T

A

A

L

P

R

L

A

A

D

P

G

Q

E

D

C

T

S

V

F

I

-

V

-

I

-

K

-

G

-

D

-

L

-

V

S
|
S

E

K

P

P

E
x
Y

L

I

S

-

R

-

D

D

H

I

T

T

E

L

R

H

M

L

L

M

K

K

G

T

M

F

G

G

A

V

E

E

I

V

E

D

V

N

E

Q

G

S

L

Y

I

Q

T

R

-

F

K

V

I

V

K

R

P

G

M

K

K

Q

L

Y

L

Q

S

S

P

P

L

G

K

D

I

Y

R

L

V

V

P

E

A

G

D

D

P

A

S

S

A

A

F

S

F

Y

F

F

A

L

V

A

A

A

A

G

A

A

I

I

T

K

P

-

N

G

S

G

N

T

V

V

V

K

L

V

E

T

G

G

V

I

T

G

L

R

N

N

P

S

T

V

R

Q

-

G

-

D

I

I

E

R

A

F

F

A

K

D

A

V

L

L

E

E

R

K

M

M

G

G

A

A

D

T

I

V

R

T

Y

W

E

-

A

-

T

-

E

-

N

-

I

-

Y

-

E

-

P

-

I

-

G

G

N

D

-

D

-

F

I

I

H

A

V

C

K

T

Y

H

A

G

P

E

L

L

K

K

A

A

I

V

T

D

V

M

E

D

D

M

N

N

I

-

S

-

W

-

L

-

I

-

D

-

E

H

L

I

P

P

-
x
D

-

A

A

A

L

M

S

T

I

I

A

A

F

T

A

A

C

A

-

L

-

F

A

A

D

Q

G

G

V

T

S

T

I

T

V

L

K

R

N

N

A

I

Q

Y

E
x
N

L

W

R

R

V

V

K
|
K

E
|
E

S

T

D

D

R
|
R

I

L

S

F

T

A

V

M

V

A

N

T

G

E

L

L

K

R

A

K

C

V

G

G

I

A

E

E

V

V

D

E

E

E

V

G

H

E

D

D

G

Y

Y

I

S

R

V

I

K

T

G

P

V

A

-

K

L

L

K

K

E

Y

A

A

K

E

I

I

D

G

S

T

H

Y

G

N

D

D

H
|
H

R
|
R

I

M

A

A

M

M

S

C

F

F

-

S

I

L

I

V

A

A

G

L

V

S

T

D

C

T

G

P

M

V

R

T

V

I

D

L

D

D

I

P

A

K

C

C

I

T

N

A

T

K

S

T

F

F

P

P

N

D

F

Y

F

F

E

E

L

Q

L

L

K

A

K

R

I

I

T

S

K

T

V

L

binding glyphosate: K21 (= K23), G95 (= G92), R123 (= R120), Q170 (= Q167), D312 (vs. gap), E340 (= E340), R343 (= R343), H384 (= H383), R385 (= R384)
binding shikimate-3-phosphate: S22 (= S24), R26 (= R28), T96 (= T93), S168 (= S165), S169 (≠ A166), Q170 (= Q167), S196 (= S186), Y199 (≠ E189), D312 (vs. gap), N335 (≠ E335), K339 (= K339)

2pq9A E. Coli epsps liganded with (r)-difluoromethyl tetrahedral reaction intermediate analog (see paper)
28% identity, 95% coverage: 16:422/428 of query aligns to 15:425/427 of 2pq9A

query
sites
2pq9A

T

T

S

I

E

N

I

L

A

P

S

G

D

S

K
|
K

S
|
S

I

V

S

S

H

N

R
|
R

C

A

A

L

M

L

F

L

A

A

M

A

L

L

A

A

D

H

G

G

T

K

S

T

Q

V

I

L

T

T

N

N

F

L

L

L

R

D

A

S

E

D

D
|
D

T

V

M

R

N

H

S

M

L

L

K

N

I

A

V

L

K

T

N

A

L

L

G

G

A

V

-

S

-

Y

T

T

I

L

D

S

D

A

D

D

G

R

E

T

T

R

I

C

K

E

I

I

S

I

S

G

D

N

G

G

-

G

-

P

-

L

I

H

K

A

E

E

S

G

S

A

E

L

V

E

L

L

D

F

C

L

G

G

N
|
N

S

A

G
|
G

T
|
T

G

A

M

M

R

R

L

P

F

L

C

A

G

A

L

A

L

L

S

C

S

L

A

G

D

S

G

N

H

D

F

I

V

V

L

L

S

T

G

G

D

E

E
x
P

Y

R

L

M

R

K

R

E

R
|
R

P

P

M

I

K

G

R

H

I

L

T

V

A

D

P

A

L

L

R

R

D

L

I

G

G

G

A

A

K

K

L

I

D

T

G

Y

R

L

E

E

N

Q

G

E

D

N

L

Y

A

P

P

P

L

L

S

R

I

L

R

Q

G

G

A

G

S

F

L

T

K

G

A

G

F

N

N

V

Y

D

E

V

S

D

K

G

I

S

A

V

S
|
S

A
x
S

Q
|
Q

V

F

K

L

S

T

A

A

M

L

I

L

L

M

A

T

A

A

-

P

-

L

-

A

-

P

-

E

-

D

-

T

-

V

L

I

R

R

A

I

D

K

G

G

E

D

C

L

S

-

F

V

S
|
S

E

K

P

P

E
x
Y

L

I

S

-

R

-

D

D

H

I

T

T

E

L

R

N

M

L

L

M

K

K

G

T

M

F

G

G

A

V

E

E

I

I

E

E

V

N

E

Q

G

H

L

Y

I

Q

T

Q

-

F

K

V

I

V

K

K

P

G

M

G

K

Q

K

S

L

Y

L

Q

S

S

P

P

L

G

K

T

I

Y

R

L

V

V

P

E

A

G

D

D

P

A

S

S

A

A

F

S

F

Y

F

F

A

L

V

A

A

A

I

I

T

K

P

-

N

G

S

G

N

T

V

V

V

K

L

V

E

T

G

G

V

I

T

G

L

R

N

N

P

S

T

M

R

Q

-

G

-

D

I

I

E

R

A

F

F

A

K

D

A

V

L

L

E

E

R

K

M

M

G

G

A

A

D

T

I

I

R

C

Y

W

E

-

A

-

T

-

E

-

N

-

I

-

Y

-

E

-

P

-

I

-

G

G

N

D

I

D

H

Y

V

I

K

S

Y

C

A

T

P

R

L

G

K

E

A

L

I

N

T

A

V

I

E

D

D

M

N

D

I

M

S

N

W

H

L

I

I

P

D
|
D

E

A

L

A

P

M

A

T

L

I

S

A

I

T

A

A

F

A

A

L

C

F

A

A

D

K

G

G

V

T

S

T

I

T

V

L

K

R

N

N

A

I

Q

Y

E
x
N

L

W

R

R

V

V

K
|
K

E
|
E

S

T

D

D

R
|
R

I

L

S

F

T

A

V

M

V

A

N

T

G

E

L

L

K

R

A

K

C

V

G

G

I

A

E

E

V

V

D

E

E

E

V

G

H

H

D

D

G

Y

Y

I

S

R

V

I

K

T

G

P

-

E

V

K

L

L

K

N

E

F

A

A

K

E

I

I

D

A

S

T

H

Y

G

N

D

D

H
|
H

R
|
R

I

M

A

A

M

M

S

C

F

F

-

S

I

L

I

V

A

A

G

L

V

S

T

D

C

T

G

P

M

V

R

T

V

I

D

L

D

D

I

P

A

K

C

C

I

T

N

A

T
x
K

S

T

F

F

P

P

N

D

F

Y

F

F

E

E

L

Q

L

L

K

A

K

R

I

I

T

S

K

Q

active site: K22 (= K23), S23 (= S24), D49 (= D50), N94 (= N90), P119 (≠ E115), R124 (= R120), D313 (= D312), E341 (= E340), H385 (= H383), R386 (= R384), K411 (≠ T408)
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 (= K23), S23 (= S24), R27 (= R28), G96 (= G92), T97 (= T93), R124 (= R120), S169 (= S165), S170 (≠ A166), Q171 (= Q167), S197 (= S186), Y200 (≠ E189), D313 (= D312), N336 (≠ E335), K340 (= K339), R344 (= R343), H385 (= H383), R386 (= R384), K411 (≠ T408)

2aa9A Epsp synthase liganded with shikimate (see paper)
28% identity, 95% coverage: 16:422/428 of query aligns to 15:425/427 of 2aa9A

query
sites
2aa9A

T

T

S

I

E

N

I

L

A

P

S

G

D

S

K
|
K

S
|
S

I

V

S

S

H

N

R
|
R

C

A

A

L

M

L

F

L

A

A

M

A

L

L

A

A

D

H

G

G

T

K

S

T

Q

V

I

L

T

T

N

N

F

L

L

L

R

D

A

S

E

D

D
|
D

T

V

M

R

N

H

S

M

L

L

K

N

I

A

V

L

K

T

N

A

L

L

G

G

A

V

-

S

-

Y

T

T

I

L

D

S

D

A

D

D

G

R

E

T

T

R

I

C

K

E

I

I

S

I

S

G

D

N

G

G

-

G

-

P

-

L

I

H

K

A

E

E

S

G

S

A

E

L

V

E

L

L

D

F

C

L

G

G

N
|
N

S

A

G

G

T
|
T

G

A

M

M

R

R

L

P

F

L

C

A

G

A

L

A

L

L

S

C

S

L

A

G

D

S

G

N

H

D

F

I

V

V

L

L

S

T

G

G

D

E

E
x
P

Y

R

L

M

R

K

R

E

R
|
R

P

P

M

I

K

G

R

H

I

L

T

V

A

D

P

A

L

L

R

R

D

L

I

G

G

G

A

A

K

K

L

I

D

T

G

Y

R

L

E

E

N

Q

G

E

D

N

L

Y

A

P

P

P

L

L

S

R

I

L

R

Q

G

G

A

G

S

F

L

T

K

G

A

G

F

N

N

V

Y

D

E

V

S

D

K

G

I

S

A

V

S

S

A

S

Q
|
Q

V

F

K

L

S

T

A

A

M

L

I

L

L

M

A

T

A

A

-

P

-

L

-

A

-

P

-

E

-

D

-

T

-

V

L

I

R

R

A

I

D

K

G

G

E

D

C

L

S

-

F

V

S

S

E

K

P

P

E
x
Y

L

I

S

-

R

-

D

D

H

I

T

T

E

L

R

N

M

L

L

M

K

K

G

T

M

F

G

G

A

V

E

E

I

I

E

E

V

N

E

Q

G

H

L

Y

I

Q

T

Q

-

F

K

V

I

V

K

K

P

G

M

G

K

Q

K

S

L

Y

L

Q

S

S

P

P

L

G

K

T

I

Y

R

L

V

V

P

E

A

G

D

D

P

A

S

S

A

A

F

S

F

Y

F

F

A

L

V

A

A

A

I

I

T

K

P

-

N

G

S

G

N

T

V

V

V

K

L

V

E

T

G

G

V

I

T

G

L

R

N

N

P

S

T

M

R

Q

-

G

-

D

I

I

E

R

A

F

F

A

K

D

A

V

L

L

E

E

R

K

M

M

G

G

A

A

D

T

I

I

R

C

Y

W

E

-

A

-

T

-

E

-

N

-

I

-

Y

-

E

-

P

-

I

-

G

G

N

D

I

D

H

Y

V

I

K

S

Y

C

A

T

P

R

L

G

K

E

A

L

I

N

T

A

V

I

E

D

D

M

N

D

I

M

S

N

W

H

L

I

I

P

D
|
D

E

A

L

A

P

M

A

T

L

I

S

A

I

T

A

A

F

A

A

L

C

F

A

A

D

K

G

G

V

T

S

T

I

T

V

L

K

R

N

N

A

I

Q

Y

E

N

L

W

R

R

V

V

K
|
K

E
|
E

S

T

D

D

R

R

I

L

S

F

T

A

V

M

V

A

N

T

G

E

L

L

K

R

A

K

C

V

G

G

I

A

E

E

V

V

D

E

E

E

V

G

H

H

D

D

G

Y

Y

I

S

R

V

I

K

T

G

P

-

E

V

K

L

L

K

N

E

F

A

A

K

E

I

I

D

A

S

T

H

Y

G

N

D

D

H
|
H

R
|
R

I

M

A

A

M

M

S

C

F

F

-

S

I

L

I

V

A

A

G

L

V

S

T

D

C

T

G

P

M

V

R

T

V

I

D

L

D

D

I

P

A

K

C

C

I

T

N

A

T
x
K

S

T

F

F

P

P

N

D

F

Y

F

F

E

E

L

Q

L

L

K

A

K

R

I

I

T

S

K

Q

active site: K22 (= K23), S23 (= S24), D49 (= D50), N94 (= N90), P119 (≠ E115), R124 (= R120), D313 (= D312), E341 (= E340), H385 (= H383), R386 (= R384), K411 (≠ T408)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: K22 (= K23), S23 (= S24), R27 (= R28), T97 (= T93), Q171 (= Q167), Y200 (≠ E189), D313 (= D312), K340 (= K339)

1x8tA Epsps liganded with the (r)-phosphonate analog of the tetrahedral reaction intermediate (see paper)
28% identity, 95% coverage: 16:422/428 of query aligns to 15:425/427 of 1x8tA

query
sites
1x8tA

T

T

S

I

E

N

I

L

A

P

S

G

D

S

K
|
K

S
|
S

I

V

S

S

H

N

R
|
R

C

A

A

L

M

L

F

L

A

A

M

A

L

L

A

A

D

H

G

G

T

K

S

T

Q

V

I

L

T

T

N

N

F

L

L

L

R

D

A

S

E

D

D
|
D

T

V

M

R

N

H

S

M

L

L

K

N

I

A

V

L

K

T

N

A

L

L

G

G

A

V

-

S

-

Y

T

T

I

L

D

S

D

A

D

D

G

R

E

T

T

R

I

C

K

E

I

I

S

I

S

G

D

N

G

G

-

G

-

P

-

L

I

H

K

A

E

E

S

G

S

A

E

L

V

E

L

L

D

F

C

L

G

G

N
|
N

S

A

G

G

T
|
T

G

A

M

M

R

R

L

P

F

L

C

A

G

A

L

A

L

L

S

C

S

L

A

G

D

S

G

N

H

D

F

I

V

V

L

L

S

T

G

G

D

E

E
x
P

Y

R

L

M

R

K

R

E

R
|
R

P

P

M

I

K

G

R

H

I

L

T

V

A

D

P

A

L

L

R

R

D

L

I

G

G

G

A

A

K

K

L

I

D

T

G

Y

R

L

E

E

N

Q

G

E

D

N

L

Y

A

P

P

P

L

L

S

R

I

L

R

Q

G

G

A

G

S

F

L

T

K

G

A

G

F

N

N

V

Y

D

E

V

S

D

K

G

I

S

A

V

S
|
S

A
x
S

Q
|
Q

V

F

K

L

S

T

A

A

M

L

I

L

L

M

A

T

A

A

-

P

-

L

-

A

-

P

-

E

-

D

-

T

-

V

L

I

R

R

A

I

D

K

G

G

E

D

C

L

S

-

F

V

S
|
S

E

K

P

P

E
x
Y

L

I

S

-

R

-

D

D

H

I

T

T

E

L

R

N

M

L

L

M

K

K

G

T

M

F

G

G

A

V

E

E

I

I

E

E

V

N

E

Q

G

H

L

Y

I

Q

T

Q

-

F

K

V

I

V

K

K

P

G

M

G

K

Q

K

S

L

Y

L

Q

S

S

P

P

L

G

K

T

I

Y

R

L

V

V

P

E

A

G

D

D

P

A

S

S

A

A

F

S

F

Y

F

F

A

L

V

A

A

A

I

I

T

K

P

-

N

G

S

G

N

T

V

V

V

K

L

V

E

T

G

G

V

I

T

G

L

R

N

N

P

S

T

M

R

Q

-

G

-

D

I

I

E

R

A

F

F

A

K

D

A

V

L

L

E

E

R

K

M

M

G

G

A

A

D

T

I

I

R

C

Y

W

E

-

A

-

T

-

E

-

N

-

I

-

Y

-

E

-

P

-

I

-

G

G

N

D

I

D

H

Y

V

I

K

S

Y

C

A

T

P

R

L

G

K

E

A

L

I

N

T

A

V

I

E

D

D

M

N

D

I

M

S

N

W

H

L

I

I

P

D
|
D

E

A

L

A

P

M

A

T

L

I

S

A

I

T

A

A

F

A

A

L

C

F

A

A

D

K

G

G

V

T

S

T

I

T

V

L

K

R

N

N

A

I

Q

Y

E
x
N

L

W

R

R

V

V

K
|
K

E
|
E

S

T

D

D

R
|
R

I

L

S

F

T

A

V

M

V

A

N

T

G

E

L

L

K

R

A

K

C

V

G

G

I

A

E

E

V

V

D

E

E

E

V

G

H

H

D

D

G

Y

Y

I

S

R

V

I

K

T

G

P

-

E

V

K

L

L

K

N

E

F

A

A

K

E

I

I

D

A

S

T

H

Y

G

N

D

D

H
|
H

R
|
R

I

M

A

A

M

M

S

C

F

F

-

S

I

L

I

V

A

A

G

L

V

S

T

D

C

T

G

P

M

V

R

T

V

I

D

L

D

D

I

P

A

K

C

C

I

T

N

A

T
x
K

S

T

F

F

P

P

N

D

F

Y

F

F

E

E

L

Q

L

L

K

A

K

R

I

I

T

S

K

Q

active site: K22 (= K23), S23 (= S24), D49 (= D50), N94 (= N90), P119 (≠ E115), R124 (= R120), D313 (= D312), E341 (= E340), H385 (= H383), R386 (= R384), K411 (≠ T408)
binding [3r-[3a,4a,5b(r*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid: K22 (= K23), S23 (= S24), R27 (= R28), T97 (= T93), S169 (= S165), S170 (≠ A166), Q171 (= Q167), S197 (= S186), Y200 (≠ E189), D313 (= D312), N336 (≠ E335), K340 (= K339), R344 (= R343), H385 (= H383), R386 (= R384)

1x8rA Epsps liganded with the (s)-phosphonate analog of the tetrahedral reaction intermediate (see paper)
28% identity, 95% coverage: 16:422/428 of query aligns to 15:425/427 of 1x8rA

query
sites
1x8rA

T

T

S

I

E

N

I

L

A

P

S

G

D

S

K
|
K

S
|
S

I

V

S

S

H

N

R
|
R

C

A

A

L

M

L

F

L

A

A

M

A

L

L

A

A

D

H

G

G

T

K

S

T

Q

V

I

L

T

T

N

N

F

L

L

L

R

D

A

S

E

D

D
|
D

T

V

M

R

N

H

S

M

L

L

K

N

I

A

V

L

K

T

N

A

L

L

G

G

A

V

-

S

-

Y

T

T

I

L

D

S

D

A

D

D

G

R

E

T

T

R

I

C

K

E

I

I

S

I

S

G

D

N

G

G

-

G

-

P

-

L

I

H

K

A

E

E

S

G

S

A

E

L

V

E

L

L

D

F

C

L

G

G

N
|
N

S

A

G
|
G

T
|
T

G

A

M

M

R

R

L

P

F

L

C

A

G

A

L

A

L

L

S

C

S

L

A

G

D

S

G

N

H

D

F

I

V

V

L

L

S

T

G

G

D

E

E
x
P

Y

R

L

M

R

K

R

E

R
|
R

P

P

M

I

K

G

R

H

I

L

T

V

A

D

P

A

L

L

R

R

D

L

I

G

G

G

A

A

K

K

L

I

D

T

G

Y

R

L

E

E

N

Q

G

E

D

N

L

Y

A

P

P

P

L

L

S

R

I

L

R

Q

G

G

A

G

S

F

L

T

K

G

A

G

F

N

N

V

Y

D

E

V

S

D

K

G

I

S

A

V

S
|
S

A
x
S

Q
|
Q

V

F

K

L

S

T

A

A

M

L

I

L

L

M

A

T

A

A

-

P

-

L

-

A

-

P

-

E

-

D

-

T

-

V

L

I

R

R

A

I

D

K

G

G

E

D

C

L

S

-

F

V

S
|
S

E

K

P

P

E
x
Y

L

I

S

-

R

-

D

D

H

I

T

T

E

L

R

N

M

L

L

M

K

K

G

T

M

F

G

G

A

V

E

E

I

I

E

E

V

N

E

Q

G

H

L

Y

I

Q

T

Q

-

F

K

V

I

V

K

K

P

G

M

G

K

Q

K

S

L

Y

L

Q

S

S

P

P

L

G

K

T

I

Y

R

L

V

V

P

E

A

G

D

D

P

A

S

S

A

A

F

S

F

Y

F

F

A

L

V

A

A

A

I

I

T

K

P

-

N

G

S

G

N

T

V

V

V

K

L

V

E

T

G

G

V

I

T

G

L

R

N

N

P

S

T

M

R

Q

-

G

-

D

I

I

E

R

A

F

F

A

K

D

A

V

L

L

E

E

R

K

M

M

G

G

A

A

D

T

I

I

R

C

Y

W

E

-

A

-

T

-

E

-

N

-

I

-

Y

-

E

-

P

-

I

-

G

G

N

D

I

D

H

Y

V

I

K

S

Y

C

A

T

P

R

L

G

K

E

A

L

I

N

T

A

V

I

E

D

D

M

N

D

I

M

S

N

W

H

L

I

I

P

D
|
D

E

A

L

A

P

M

A

T

L

I

S

A

I

T

A

A

F

A

A

L

C

F

A

A

D

K

G

G

V

T

S

T

I

T

V

L

K

R

N

N

A

I

Q

Y

E
x
N

L

W

R

R

V

V

K
|
K

E
|
E

S

T

D

D

R

R

I

L

S

F

T

A

V

M

V

A

N

T

G

E

L

L

K

R

A

K

C

V

G

G

I

A

E

E

V

V

D

E

E

E

V

G

H

H

D

D

G

Y

Y

I

S

R

V

I

K

T

G

P

-

E

V

K

L

L

K

N

E

F

A

A

K

E

I

I

D

A

S

T

H

Y

G

N

D

D

H
|
H

R
|
R

I

M

A

A

M

M

S

C

F

F

-

S

I

L

I

V

A

A

G

L

V

S

T

D

C

T

G

P

M

V

R

T

V

I

D

L

D

D

I

P

A

K

C

C

I

T

N

A

T
x
K

S

T

F

F

P

P

N

D

F

Y

F

F

E

E

L

Q

L

L

K

A

K

R

I

I

T

S

K

Q

active site: K22 (= K23), S23 (= S24), D49 (= D50), N94 (= N90), P119 (≠ E115), R124 (= R120), D313 (= D312), E341 (= E340), H385 (= H383), R386 (= R384), K411 (≠ T408)
binding [3r-[3a,4a,5b(s*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid: K22 (= K23), S23 (= S24), R27 (= R28), G96 (= G92), T97 (= T93), R124 (= R120), S169 (= S165), S170 (≠ A166), Q171 (= Q167), S197 (= S186), Y200 (≠ E189), D313 (= D312), N336 (≠ E335), K340 (= K339), E341 (= E340), H385 (= H383), K411 (≠ T408)

Query Sequence

>WP_011372501.1 NCBI__GCF_000012965.1:WP_011372501.1
MSSVKVYKALAFSLRTSEIASDKSISHRCAMFAMLADGTSQITNFLRAEDTMNSLKIVKN
LGATIDDDGETIKISSDGIKESSEVLDCGNSGTGMRLFCGLLSSADGHFVLSGDEYLRRR
PMKRITAPLRDIGAKLDGRENGDLAPLSIRGASLKAFNYESKIASAQVKSAMILAALRAD
GECSFSEPELSRDHTERMLKGMGAEIEVEGLITKIKPMKKLLSPLKIRVPADPSSAFFFA
VAAAITPNSNVVLEGVTLNPTRIEAFKALERMGADIRYEATENIYEPIGNIHVKYAPLKA
ITVEDNISWLIDELPALSIAFACADGVSIVKNAQELRVKESDRISTVVNGLKACGIEVDE
VHDGYSVKGGVLKEAKIDSHGDHRIAMSFIIAGVTCGMRVDDIACINTSFPNFFELLKKI
TKVEFTSL

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory