SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_013012189.1 NCBI__GCF_000025725.1:WP_013012189.1 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)

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, 100% coverage: 1:424/426 of query aligns to 1:424/427 of Q9S400

query
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Q9S400

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S21 (= S21) binding 3-phosphoshikimate
R25 (= R25) 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, 100% coverage: 1:424/426 of query aligns to 1:424/427 of 1rf6A

query
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1rf6A

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active site: K20 (= K20), S21 (= S21), D47 (= D47), N90 (= N90), D115 (≠ N115), R120 (= R120), D312 (= D312), E340 (= E340), H384 (= H385), R385 (= R386), T412 (≠ V412)
binding glyphosate: K20 (= K20), G92 (= G92), T93 (= T93), R120 (= R120), Q168 (= Q167), D312 (= D312), E340 (= E340), R343 (= R343), H384 (= H385), R385 (= R386)
binding shikimate-3-phosphate: S21 (= S21), R25 (= R25), 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, 100% coverage: 1:424/426 of query aligns to 1:424/427 of 1rf4A

query
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1rf4A

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M

I

A

G

M

M

I

M

A

T

I

A

M

I

L

A

A

A

K

L

R

L

F

V

G

A

-

D

G

G

N

E

I

V

T

E

V

L

D

D

D

R

M

A

Q

E

C

A

V

I

D

N

V
x
T

S

S

F

Y

P

P

T

S

F

F

I

F

E

D

T

D

F

L

E

E

S

S

L

L

active site: K20 (= K20), S21 (= S21), D47 (= D47), N90 (= N90), D115 (≠ N115), R120 (= R120), D312 (= D312), E340 (= E340), H384 (= H385), R385 (= R386), T412 (≠ V412)
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 (= K20), S21 (= S21), R25 (= R25), G92 (= G92), T93 (= T93), R120 (= R120), S166 (= S165), A167 (= A166), Q168 (= Q167), R193 (= R192), D312 (= D312), K339 (= K339), E340 (= E340), R343 (= R343), H384 (= H385), R385 (= R386)

3slhD 1.70 angstrom resolution structure of 3-phosphoshikimate 1- carboxyvinyltransferase (aroa) from coxiella burnetii in complex with shikimate-3-phosphate and glyphosate
38% identity, 97% coverage: 8:419/426 of query aligns to 11:422/440 of 3slhD

query
sites
3slhD

K

Q

S

G

I

L

K

S

G

G

T

E

V

I

R

C

V

V

P

P

S

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

S

A

F

V

M

L

L

L

L

A

S

A

M

I

A

A

K

E

G

G

R

Q

G

T

R

Q

V

V

I

D

D

G

P

F

L

L

L

M

S

G

A

A

D
|
D

T

N

K

L

A

A

T

M

M

V

A

S

A

A

M

L

R

Q

A

Q

V

M

G

G

-

A

-

S

V

I

Q

Q

F

V

E

I

E

E

T

D

V

E

N

N

G

I

F

L

V

V

I

V

T

E

S

G

D

V

G

G

Y

M

Q

T

N

G

F

L

K

Q

E

A

P

P

S

P

D

E

V

A

I

L

D

D

C

C

M

G

N
|
N

S

S

G
|
G

T
|
T

S

A

A

I

R

R

L

L

T

S

G

G

V

L

F

L

A

A

P

G

T

Q

N

P

K

F

Y

N

Y

T

V

V

L

L

T

T

G

G

D

D

N

S

S

S

M

L

R

Q

K

R

R
|
R

P

P

M

M

D

K

R

R

V

I

I

I

L

D

P

P

L

L

T

T

E

L

M

M

G

G

A

A

K

K

F

I

A

D

A

S

R

T

D

G

N

N

G

V

S

P

K

P

L

L

P

K

L

I

T

Y

I

G

L

N

P

P

S

R

V

L

T

T

N

G

P

-

V

I

E

H

L

Y

T

Q

A

L

S

P

T

M

K

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

A

C

I

L

L

L

A

A

G

G

V

L

Q

Y

T

A

E

R

G

G

V

K

T

T

T

C

Y

I

T

T

E

E

K

P

A

A

V

P

T

S

R
|
R

N

D

H

H

T

T

E

E

I

R

M

L

L

L

S

K

A

H

L

F

G

H

A

Y

N

T

L

L

T

Q

V

K

D

D

G

K

L

Q

K

S

I

I

S

C

V

V

E

S

G

G

A

G

D

K

L

L

R

K

S

A

I

N

D

D

V

I

V

S

V

I

P

P

G

G

D

D

F

I

S

S

A

A

F

F

L

I

G

V

G

A

T

A

L

T

M

I

F

T

D

P

N

G

S

S

E

A

L

I

I

R

L

L

E

C

N

R

V

V

G

G

L

V

N

N

P

P

T

T

R

R

S

L

G

G

M

V

L

I

N

N

V

L

L

L

T

K

Q

M

M

M

G

G

V

A

K

D

Y

I

E

E

I

V

D

T

S

H

-

Y

E

T

R

E

G

K

G

N

A

E

E

E

K

P

L

T

G

A

D

D

I

I

C

T

I

V

K

R

S

H

Q

A

S

R

F

L

E

K

G

G

C

I

T

D

I

I

D

P

G

P

D

D

I

Q

V

V

A

P

N

L

M

T

I

I

D
|
D

E

E

L

F

P

P

M

V

V

L

A

L

T

I

L

A

G

A

L

A

F

V

A

A

N

Q

S

G

P

K

V

T

T

V

I

L

R

R

N

D

A

A

K

A

E

E

L

L

R

R

V

V

K
|
K

E
|
E

S

T

D

D

R
|
R

I

I

E

A

A

A

T

M

L

V

Y

D

N

G

L

L

R

Q

Q

K

L

L

G

G

A

I

E

A

V

A

E

E

E

S

Y

L

E

P

D

D

G

G

M

V

K

I

V

I

Y

Q

P

-

I

-

K

G

S

G

V

T

N

L

D

E

K

G

A

G

E

E

L

V

K

N

A

S

F

Y

D

D

H
|
H

R
|
R

M

I

A

A

M

M

-

A

-

F

-

A

I

V

A

A

I

G

M

T

L

L

A

A

K

K

R

-

F

-

G

-

G

G

N

P

I

V

T

R

V

I

D

R

D

N

M

C

Q

D

C

N

V

V

D

K

V
x
T

S

S

F

F

P

P

T

N

F

F

I

V

E

E

active site: K23 (= K20), S24 (= S21), D50 (= D47), N95 (= N90), R125 (= R120), D317 (= D312), E345 (= E340), H388 (= H385), R389 (= R386), T415 (≠ V412)
binding glyphosate: K23 (= K20), G97 (= G92), T98 (= T93), R125 (= R120), Q171 (= Q167), D317 (= D312), E345 (= E340), R348 (= R343), H388 (= H385), R389 (= R386)
binding shikimate-3-phosphate: S24 (= S21), R28 (= R25), S169 (= S165), Q171 (= Q167), R196 (= R192), D317 (= D312), K344 (= K339)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S24 (= S21), R28 (= R25), 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)
38% identity, 97% coverage: 8:419/426 of query aligns to 9:420/438 of Q83E11

query
sites
Q83E11

K

Q

S

G

I

L

K

S

G

G

T

E

V

I

R

C

V

V

P

P

S

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

S

A

F

V

M

L

L

L

L

A

S

A

M

I

A

A

K

E

G

G

R

Q

G

T

R

Q

V

V

I

D

D

G

P

F

L

L

L

M

S

G

A

A

D

D

T

N

K

L

A

A

T

M

M

V

A

S

A

A

M

L

R

Q

A

Q

V

M

G

G

-

A

-

S

V

I

Q

Q

F

V

E

I

E

E

T

D

V

E

N

N

G

I

F

L

V

V

I

V

T

E

S

G

D

V

G

G

Y

M

Q

T

N

G

F

L

K

Q

E

A

P

P

S

P

D

E

V

A

I

L

D

D

C

C

M

G

N
|
N

S
|
S

G
|
G

T
|
T

S

A

A

I

R

R

L

L

T

S

G

G

V

L

F

L

A

A

P

G

T

Q

N

P

K

F

Y

N

Y

T

V

V

L

L

T

T

G

G

D

D

N

S

S

S

M

L

R

Q

K

R

R
|
R

P

P

M

M

D

K

R

R

V

I

I

I

L

D

P

P

L

L

T

T

E

L

M

M

G

G

A

A

K

K

F

I

A

D

A

S

R

T

D

G

N

N

G

V

S

P

K

P

L

L

P

K

L

I

T

Y

I

G

L

N

P

P

S

R

V

L

T

T

N

G

P

-

V

I

E

H

L

Y

T

Q

A

L

S

P

T

M

K

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

A

C

I

L

L

L

A

A

G

G

V

L

Q

Y

T

A

E

R

G

G

V

K

T

T

T

C

Y

I

T

T

E

E

K

P

A

A

V

P

T

S

R

R

N

D

H

H

T

T

E

E

I

R

M

L

L

L

S

K

A

H

L

F

G

H

A

Y

N

T

L

L

T

Q

V

K

D

D

G

K

L

Q

K

S

I

I

S

C

V

V

E

S

G

G

A

G

D

K

L

L

R

K

S

A

I

N

D

D

V

I

V

S

V

I

P

P

G

G

D

D

F

I

S

S

A

A

F

F

L

I

G

V

G

A

T

A

L

T

M

I

F

T

D

P

N

G

S

S

E

A

L

I

I

R

L

L

E

C

N

R

V

V

G

G

L

V

N

N

P

P

T

T

R

R

S

L

G

G

M

V

L

I

N

N

V

L

L

L

T

K

Q

M

M

M

G

G

V

A

K

D

Y

I

E

E

I

V

D

T

S

H

-

Y

E

T

R

E

G

K

G

N

A

E

E

E

K

P

L

T

G

A

D

D

I

I

C

T

I

V

K

R

S

H

Q

A

S

R

F

L

E

K

G

G

C

I

T

D

I

I

D

P

G

P

D

D

I

Q

V

V

A

P

N

L

M

T

I

I

D
|
D

E

E

L

F

P

P

M

V

V

L

A

L

T

I

L

A

G

A

L

A

F

V

A

A

N

Q

S

G

P

K

V

T

T

V

I

L

R

R

N

D

A

A

K

A

E

E

L

L

R

R

V

V

K
|
K

E

E

S

T

D

D

R
|
R

I

I

E

A

A

A

T

M

L

V

Y

D

N

G

L

L

R

Q

Q

K

L

L

G

G

A

I

E

A

V

A

E

E

E

S

Y

L

E

P

D

D

G

G

M

V

K

I

V

I

Y

Q

P

-

I

-

K

G

S

G

V

T

N

L

D

E

K

G

A

G

E

E

L

V

K

N

A

S

F

Y

D

D

H

H

R
|
R

M

I

A

A

M

M

-

A

-

F

-

A

I

V

A

A

I

G

M

T

L

L

A

A

K

K

R

-

F

-

G

-

G

G

N

P

I

V

T

R

V

I

D

R

D

N

M

C

Q

D

C

N

V

V

D

K

V

T

S

S

F

F

P

P

T

N

F

F

I

V

E

E

K21 (= K20) binding phosphoenolpyruvate
S22 (= S21) binding 3-phosphoshikimate
R26 (= R25) 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 (= R386) binding phosphoenolpyruvate

4egrA 2.50 angstrom resolution structure of 3-phosphoshikimate 1- carboxyvinyltransferase (aroa) from coxiella burnetii in complex with phosphoenolpyruvate
37% identity, 97% coverage: 8:419/426 of query aligns to 11:418/434 of 4egrA

query
sites
4egrA

K

Q

S

G

I

L

K

S

G

G

T

E

V

I

R

C

V

V

P

P

S

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R

R

S

A

F

V

M

L

L

L

L

A

S

A

M

I

A

A

K

E

G

G

R

Q

G

T

R

Q

V

V

I

D

D

G

P

F

L

L

L

M

S

G

A

A

D
|
D

T

N

K

L

A

A

T

M

M

V

A

S

A

A

M

L

R

Q

A

Q

V

M

G

G

-

A

-

S

V

I

Q

Q

F

V

E

I

E

E

T

D

V

E

N

N

G

I

F

L

V

V

I

V

T

E

S

G

D

V

G

G

Y

M

Q

T

N

G

F

L

K

Q

E

A

P

P

S

P

D

E

V

A

I

L

D

D

C

C

M

G

N
|
N

S

S

G
|
G

T
|
T

S

A

A

I

R

R

L

L

T

S

G

G

V

L

F

L

A

A

P

G

T

Q

N

P

K

F

Y

N

Y

T

V

V

L

L

T

T

G

G

D

D

N

S

S

S

M

L

R

Q

K

R

R
|
R

P

P

M

M

D

K

R

R

V

I

I

I

L

D

P

P

L

L

T

T

E

L

M

M

G

G

A

A

K

K

F

I

A

D

A

S

R

T

D

G

N

N

G

V

S

P

K

P

L

L

P

K

L

I

T

Y

I

G

L

N

P

P

S

R

V

L

T

T

N

G

P

-

V

I

E

H

L

Y

T

Q

A

L

S

P

T

M

K

A

S

S

A

A

Q

Q

V

V

K

K

S

S

A

C

I

L

L

L

A

A

G

G

V

L

Q

Y

T

A

E

R

G

G

V

K

T

T

T

C

Y

I

T

T

E

E

K

P

A

A

V

P

T

S

R

R

N

D

H

H

T

T

E

E

I

R

M

L

L

L

S

K

A

H

L

F

G

-

A

-

N

H

L

Y

T

T

V

L

D

Q

G

K

L

Q

K

S

I

I

S

C

V

V

E

S

G

G

A

G

D

K

L

L

R

K

S

A

I

N

D

D

V

I

V

S

V

I

P

P

G

G

D

D

F

I

S

S

A

A

F

F

L

I

G

V

G

A

T

A

L

T

M

I

F

T

D

P

N

G

S

S

E

A

L

I

I

R

L

L

E

C

N

R

V

V

G

G

L

V

N

N

P

P

T

T

R

R

S

L

G

G

M

V

L

I

N

N

V

L

L

L

T

K

Q

M

M

M

G

G

V

A

K

D

Y

I

E

E

I

V

D

-

S

T

E

H

R

Y

G

T

G

E

A

K

E

E

K

P

L

T

G

A

D

D

I

I

C

T

I

V

K

R

S

H

Q

A

S

R

F

L

E

K

G

G

C

I

T

D

I

I

D

P

G

P

D

D

I

Q

V

V

A

P

N

L

M

T

I

I

D
|
D

E

E

L

F

P

P

M

V

V

L

A

L

T

I

L

A

G

A

L

A

F

V

A

A

N

Q

S

G

P

K

V

T

T

V

I

L

R

R

N

D

A

A

K

A

E

E

L

L

R

R

V

V

K

K

E
|
E

S

T

D

D

R
|
R

I

I

E

A

A

A

T

M

L

V

Y

D

N

G

L

L

R

Q

Q

K

L

L

G

G

A

I

E

A

V

A

E

E

E

S

Y

L

E

P

D

D

G

G

M

V

K

I

V

I

Y

Q

P

-

I

-

K

G

S

G

V

T

N

L

D

E

K

G

A

G

E

E

L

V

K

N

A

S

F

Y

D

D

H
|
H

R
|
R

M

I

A

A

M

M

-

A

-

F

-

A

I

V

A

A

I

G

M

T

L

L

A

A

K

K

R

-

F

-

G

-

G

G

N

P

I

V

T

R

V

I

D

R

D

N

M

C

Q

D

C

N

V

V

D

K

V
x
T

S

S

F

F

P

P

T

N

F

F

I

V

E

E

active site: K23 (= K20), S24 (= S21), D50 (= D47), N95 (= N90), R125 (= R120), D313 (= D312), E341 (= E340), H384 (= H385), R385 (= R386), T411 (≠ V412)
binding phosphoenolpyruvate: K23 (= K20), G97 (= G92), T98 (= T93), R125 (= R120), D313 (= D312), E341 (= E340), R344 (= R343), R385 (= R386)

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)
37% identity, 99% coverage: 5:424/426 of query aligns to 13:443/455 of Q9R4E4

query
sites
Q9R4E4

K

R

K

K

V

S

K

S

S

G

I

L

K

S

G

G

T

T

V

V

R

R

V

I

P

P

S

G

D

D

K

K

S
|
S

I

I

S

S

H

H

R
|
R

S

S

F

F

M

M

L

F

L

G

S

G

M

L

A

A

K

S

G

G

R

E

G

T

R

R

V

I

I

T

D

G

P

L

L

L

L

E

S

G

A

E

D

D

T

V

K

I

A

N

T

T

M

G

A

K

A

A

M

M

R

Q

A

A

V

M

G

G

V

A

Q

R

F

I

E

R

E

K

T

E

V

G

N

D

G

T

F

W

V

I

I

I

T

D

S

G

D

V

G

G

Y

N

Q

G

N

G

F

L

K

L

E

A

P

P

S

E

D

A

V

P

I

L

D

D

C

F

M

G

N

N

S

A

G
x
A

T

T

S

G

A

C

R

R

L

L

L

T

T

M

G

G

V

L

F

V

A

G

P

V

T

Y

N

D

K

F

Y

D

Y

S

V

T

L

F

T

I

G

G

D

D

N

A

S

S

M

L

R

T

K

K

R

R

P

P

M

M

D

G

R

R

V

V

I

L

L

N

P

P

L

L

T

R

E

E

M

M

G

G

A

V

K

Q

F

V

A

K

A

S

R

E

D

D

N

-

G

G

S

D

K

R

L

L

P

P

L

V

T

T

I

L

L

R

-

G

P

P

S

K

V

T

T

P

N

T

P

P

V

I

E

T

L

Y

T

R

A

V

S

P

T

M

K

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

A

A

I

V

L

L

A

A

G

G

V

L

Q

N

T

T

E

P

G

G

V

I

T

T

Y

V

T

I

E

E

K

P

A

I

V

M

T

T

R

R

N

D

H

H

T

T

E

E

I

K

M

M

L

L

S

Q

A

G

L

F

G

G

A

A

N

N

L

L

T

T

V

V

-

E

-

T

-

D

-

A

D

D

G

G

L

V

K

R

-

T

I

I

S

R

V

L

E

E

G

G

A

R

A

G

D

K

L

L

R

T

S

G

I

Q

D

V

V

I

V

D

V

V

P

P

G

G

D

D

F

P

S

S

A

T

A

A

F

F

F

P

L

L

G

V

G

A

T

A

L

L

M

L

F

V

D

P

N

G

S

S

E

D

L

V

I

T

L

I

E

L

N

N

V

V

G

L

L

M

N

N

P

P

T

T

R

R

S

T

G

G

M

L

L

I

N

L

V

T

L

L

T

Q

Q

E

M

M

G

G

V

A

K

D

Y

I

E

E

I

V

D

I

S

N

E

P

R

R

-

L

G

A

G

G

A

G

E

E

K

D

L

V

G

A

D

D

I

L

C

R

I

V

K

R

S

S

Q

S

S

T

F

L

E

K

G

G

C

V

T

T

I

V

D

P

G

E

D

D

I

R

V

A

A

P

N

S

M

M

I

I

D
|
D

E

E

L

Y

P

P

M

I

V

L

A

A

T

V

L

A

G

A

L

A

F

F

A

A

N

E

S

G

P

A

V

T

T

V

I

M

R

N

N

G

A

L

K

E

E

E

L

L

R

R

V

V

K
|
K

E

E

S

S

D

D

R

R

I

L

E

S

A

A

T

V

L

A

Y

N

N

G

L

L

R

K

Q

L

L

N

G

G

A

V

E

D

V

C

E

D

E

E

Y

G

E

E

D

T

G

S

M

L

K

V

V

V

Y

R

P

G

I

R

-

P

-

D

-

G

K

K

S

G

V

L

N

G

D

N

K

A

-

S

-

G

A

A

E

A

L

V

K

A

A

T

F

H

D

L

D

D

H

H

R

R

M

I

A

A

M

M

I

S

A

F

I

L

M

V

L

M

A

G

K

L

R

V

F

S

G

E

G

N

N

P

I

V

T

T

V

V

D

D

M

A

Q

T

C

M

V

I

D

A

V

T

S

S

F

F

P

P

T

E

F

F

I

M

E

D

T

L

F

M

E

A

S

G

L

L

S29 (= S21) binding 3-phosphoshikimate
R33 (= R25) 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)
37% identity, 99% coverage: 5:424/426 of query aligns to 8:438/445 of 2pqcA

query
sites
2pqcA

K

R

K

K

V

S

K

S

S

G

I

L

K

S

G

G

T

T

V

V

R

R

V

I

P

P

S

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

S

S

F

F

M

M

L

F

L

G

S

G

M

L

A

A

K

S

G

G

R

E

G

T

R

R

V

I

I

T

D

G

P

L

L

L

L

E

S

G

A

E

D
|
D

T

V

K

I

A

N

T

T

M

G

A

K

A

A

M

M

R

Q

A

A

V

M

G

G

V

A

Q

R

F

I

E

R

E

K

T

E

V

G

N

D

G

T

F

W

V

I

I

I

T

D

S

G

D

V

G

G

Y

N

Q

G

N

G

F

L

K

L

E

A

P

P

S

E

D

A

V

P

I

L

D

D

C

F

M

G

N
|
N

S

A

G

A

T
|
T

S

G

A

C

R

R

L

L

L

T

T

M

G

G

V

L

F

V

A

G

P

V

T

Y

N

D

K

F

Y

D

Y

S

V

T

L

F

T

I

G

G

D

D

N

A

S

S

M

L

R

T

K

K

R
|
R

P

P

M

M

D

G

R

R

V

V

I

L

L

N

P

P

L

L

T

R

E

E

M

M

G

G

A

V

K

Q

F

V

A

K

A

S

R

E

D

D

N

-

G

G

S

D

K

R

L

L

P

P

L

V

T

T

I

L

L

R

-

G

P

P

S

K

V

T

T

P

N

T

P

P

V

I

E

T

L

Y

T

R

A

V

S

P

T

M

K

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

A

A

I

V

L

L

A

A

G

G

V

L

Q

N

T

T

E

P

G

G

V

I

T

T

Y

V

T

I

E

E

K

P

A

I

V

M

T

T

R

R

N

D

H

H

T

T

E

E

I

K

M

M

L

L

S

Q

A

G

L

F

G

G

A

A

N

N

L

L

T

T

V

V

-

E

-

T

-

D

-

A

D

D

G

G

L

V

K

R

-

T

I

I

S

R

V

L

E

E

G

G

A

R

A

G

D

K

L

L

R

T

S

G

I

Q

D

V

V

I

V

D

V

V

P

P

G

G

D

D

F

P

S

S

A

T

A

A

F

F

F

P

L

L

G

V

G

A

T

A

L

L

M

L

F

V

D

P

N

G

S

S

E

D

L

V

I

T

L

I

E

L

N

N

V

V

G

L

L

M

N

N

P

P

T

T

R

R

S

T

G

G

M

L

L

I

N

L

V

T

L

L

T

Q

Q

E

M

M

G

G

V

A

K

D

Y

I

E

E

I

V

D

I

S

N

E

P

R

R

-

L

G

A

G

G

A

G

E

E

K

D

L

V

G

A

D

D

I

L

C

R

I

V

K

R

S

S

Q

S

S

T

F

L

E

K

G

G

C

V

T

T

I

V

D

P

G

E

D

D

I

R

V

A

A

P

N

S

M

M

I

I

D
|
D

E

E

L

Y

P

P

M

I

V

L

A

A

T

V

L

A

G

A

L

A

F

F

A

A

N

E

S

G

P

A

V

T

T

V

I

M

R

N

N

G

A

L

K

E

E

E

L

L

R

R

V

V

K
|
K

E
|
E

S

S

D

D

R
|
R

I

L

E

S

A

A

T

V

L

A

Y

N

N

G

L

L

R

K

Q

L

L

N

G

G

A

V

E

D

V

C

E

D

E

E

Y

G

E

E

D

T

G

S

M

L

K

V

V

V

Y

R

P

G

I

R

-

P

-

D

-

G

K

K

S

G

V

L

N

G

D

N

K

A

-

S

-

G

A

A

E

A

L

V

K

A

A

T

F

H

D

L

D

D

H
|
H

R
|
R

M

I

A

A

M

M

I

S

A

F

I

L

M

V

L

M

A

G

K

L

R

V

F

S

G

E

G

N

N

P

I

V

T

T

V

V

D

D

M

A

Q

T

C

M

V

I

D

A

V
x
T

S

S

F

F

P

P

T

E

F

F

I

M

E

D

T

L

F

M

E

A

S

G

L

L

active site: K23 (= K20), S24 (= S21), D50 (= D47), N93 (= N90), R123 (= R120), D321 (= D312), E349 (= E340), H399 (= H385), R400 (= R386), T426 (≠ V412)
binding [3r-[3a,4a,5b(r*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid: K23 (= K20), S24 (= S21), R28 (= R25), T96 (= T93), R123 (= R120), S168 (= S165), Q170 (= Q167), D321 (= D312), K348 (= K339), E349 (= E340), R352 (= R343), R400 (= R386)

2pqbA Cp4 epsps liganded with (r)-difluoromethyl tetrahedral intermediate analog (see paper)
37% identity, 99% coverage: 5:424/426 of query aligns to 8:438/445 of 2pqbA

query
sites
2pqbA

K

R

K

K

V

S

K

S

S

G

I

L

K

S

G

G

T

T

V

V

R

R

V

I

P

P

S

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

S

S

F

F

M

M

L

F

L

G

S

G

M

L

A

A

K

S

G

G

R

E

G

T

R

R

V

I

I

T

D

G

P

L

L

L

L

E

S

G

A

E

D
|
D

T

V

K

I

A

N

T

T

M

G

A

K

A

A

M

M

R

Q

A

A

V

M

G

G

V

A

Q

R

F

I

E

R

E

K

T

E

V

G

N

D

G

T

F

W

V

I

I

I

T

D

S

G

D

V

G

G

Y

N

Q

G

N

G

F

L

K

L

E

A

P

P

S

E

D

A

V

P

I

L

D

D

C

F

M

G

N
|
N

S

A

G
x
A

T
|
T

S

G

A

C

R

R

L

L

L

T

T

M

G

G

V

L

F

V

A

G

P

V

T

Y

N

D

K

F

Y

D

Y

S

V

T

L

F

T

I

G

G

D

D

N

A

S

S

M

L

R

T

K

K

R
|
R

P

P

M

M

D

G

R

R

V

V

I

L

L

N

P

P

L

L

T

R

E

E

M

M

G

G

A

V

K

Q

F

V

A

K

A

S

R

E

D

D

N

-

G

G

S

D

K

R

L

L

P

P

L

V

T

T

I

L

L

R

-

G

P

P

S

K

V

T

T

P

N

T

P

P

V

I

E

T

L

Y

T

R

A

V

S

P

T

M

K

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

A

A

I

V

L

L

A

A

G

G

V

L

Q

N

T

T

E

P

G

G

V

I

T

T

Y

V

T

I

E

E

K

P

A

I

V

M

T

T

R

R

N

D

H

H

T

T

E

E

I

K

M

M

L

L

S

Q

A

G

L

F

G

G

A

A

N

N

L

L

T

T

V

V

-

E

-

T

-

D

-

A

D

D

G

G

L

V

K

R

-

T

I

I

S

R

V

L

E

E

G

G

A

R

A

G

D

K

L

L

R

T

S

G

I

Q

D

V

V

I

V

D

V

V

P

P

G

G

D

D

F

P

S

S

A

T

A

A

F

F

F

P

L

L

G

V

G

A

T

A

L

L

M

L

F

V

D

P

N

G

S

S

E

D

L

V

I

T

L

I

E

L

N

N

V

V

G

L

L

M

N

N

P

P

T

T

R

R

S

T

G

G

M

L

L

I

N

L

V

T

L

L

T

Q

Q

E

M

M

G

G

V

A

K

D

Y

I

E

E

I

V

D

I

S

N

E

P

R

R

-

L

G

A

G

G

A

G

E

E

K

D

L

V

G

A

D

D

I

L

C

R

I

V

K

R

S

S

Q

S

S

T

F

L

E

K

G

G

C

V

T

T

I

V

D

P

G

E

D

D

I

R

V

A

A

P

N

S

M

M

I

I

D
|
D

E

E

L

Y

P

P

M

I

V

L

A

A

T

V

L

A

G

A

L

A

F

F

A

A

N

E

S

G

P

A

V

T

T

V

I

M

R

N

N

G

A

L

K

E

E

E

L

L

R

R

V

V

K
|
K

E
|
E

S

S

D

D

R
|
R

I

L

E

S

A

A

T

V

L

A

Y

N

N

G

L

L

R

K

Q

L

L

N

G

G

A

V

E

D

V

C

E

D

E

E

Y

G

E

E

D

T

G

S

M

L

K

V

V

V

Y

R

P

G

I

R

-

P

-

D

-

G

K

K

S

G

V

L

N

G

D

N

K

A

-

S

-

G

A

A

E

A

L

V

K

A

A

T

F

H

D

L

D

D

H
|
H

R
|
R

M

I

A

A

M

M

I

S

A

F

I

L

M

V

L

M

A

G

K

L

R

V

F

S

G

E

G

N

N

P

I

V

T

T

V

V

D

D

M

A

Q

T

C

M

V

I

D

A

V
x
T

S

S

F

F

P

P

T

E

F

F

I

M

E

D

T

L

F

M

E

A

S

G

L

L

active site: K23 (= K20), S24 (= S21), D50 (= D47), N93 (= N90), R123 (= R120), D321 (= D312), E349 (= E340), H399 (= H385), R400 (= R386), T426 (≠ V412)
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 (= K20), S24 (= S21), R28 (= R25), A95 (≠ G92), T96 (= T93), R123 (= R120), S168 (= S165), Q170 (= Q167), D321 (= D312), K348 (= K339), E349 (= E340), R352 (= R343), R400 (= R386)

2ggaA Cp4 epsp synthase liganded with s3p and glyphosate (see paper)
37% identity, 99% coverage: 5:424/426 of query aligns to 8:438/445 of 2ggaA

query
sites
2ggaA

K

R

K

K

V

S

K

S

S

G

I

L

K

S

G

G

T

T

V

V

R

R

V

I

P

P

S

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

S

S

F

F

M

M

L

F

L

G

S

G

M

L

A

A

K

S

G

G

R

E

G

T

R

R

V

I

I

T

D

G

P

L

L

L

L

E

S

G

A

E

D
|
D

T

V

K

I

A

N

T

T

M

G

A

K

A

A

M

M

R

Q

A

A

V

M

G

G

V

A

Q

R

F

I

E

R

E

K

T

E

V

G

N

D

G

T

F

W

V

I

I

I

T

D

S

G

D

V

G

G

Y

N

Q

G

N

G

F

L

K

L

E

A

P

P

S

E

D

A

V

P

I

L

D

D

C

F

M

G

N
|
N

S
x
A

G
x
A

T
|
T

S

G

A

C

R

R

L

L

L

T

T

M

G

G

V

L

F

V

A

G

P

V

T

Y

N

D

K

F

Y

D

Y

S

V

T

L

F

T

I

G

G

D

D

N

A

S

S

M

L

R

T

K

K

R
|
R

P

P

M

M

D

G

R

R

V

V

I

L

L

N

P

P

L

L

T

R

E

E

M

M

G

G

A

V

K

Q

F

V

A

K

A

S

R

E

D

D

N

-

G

G

S

D

K

R

L

L

P

P

L

V

T

T

I

L

L

R

-

G

P

P

S

K

V

T

T

P

N

T

P

P

V

I

E

T

L

Y

T

R

A

V

S

P

T

M

K

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

A

A

I

V

L

L

A

A

G

G

V

L

Q

N

T

T

E

P

G

G

V

I

T

T

Y

V

T

I

E

E

K

P

A

I

V

M

T

T

R
|
R

N

D

H

H

T

T

E

E

I

K

M

M

L

L

S

Q

A

G

L

F

G

G

A

A

N

N

L

L

T

T

V

V

-

E

-

T

-

D

-

A

D

D

G

G

L

V

K

R

-

T

I

I

S

R

V

L

E

E

G

G

A

R

A

G

D

K

L

L

R

T

S

G

I

Q

D

V

V

I

V

D

V

V

P

P

G

G

D

D

F

P

S

S

A

T

A

A

F

F

F

P

L

L

G

V

G

A

T

A

L

L

M

L

F

V

D

P

N

G

S

S

E

D

L

V

I

T

L

I

E

L

N

N

V

V

G

L

L

M

N

N

P

P

T

T

R

R

S

T

G

G

M

L

L

I

N

L

V

T

L

L

T

Q

Q

E

M

M

G

G

V

A

K

D

Y

I

E

E

I

V

D

I

S

N

E

P

R

R

-

L

G

A

G

G

A

G

E

E

K

D

L

V

G

A

D

D

I

L

C

R

I

V

K

R

S

S

Q

S

S

T

F

L

E

K

G

G

C

V

T

T

I

V

D

P

G

E

D

D

I

R

V

A

A

P

N

S

M

M

I

I

D
|
D

E

E

L

Y

P

P

M

I

V

L

A

A

T

V

L

A

G

A

L

A

F

F

A

A

N

E

S

G

P

A

V

T

T

V

I

M

R

N

N

G

A

L

K

E

E

E

L

L

R

R

V

V

K
|
K

E
|
E

S

S

D

D

R
|
R

I

L

E

S

A

A

T

V

L

A

Y

N

N

G

L

L

R

K

Q

L

L

N

G

G

A

V

E

D

V

C

E

D

E

E

Y

G

E

E

D

T

G

S

M

L

K

V

V

V

Y

R

P

G

I

R

-

P

-

D

-

G

K

K

S

G

V

L

N

G

D

N

K

A

-

S

-

G

A

A

E

A

L

V

K

A

A

T

F

H

D

L

D

D

H
|
H

R
|
R

M

I

A

A

M

M

I

S

A

F

I

L

M

V

L

M

A

G

K

L

R

V

F

S

G

E

G

N

N

P

I

V

T

T

V

V

D

D

M

A

Q

T

C

M

V

I

D

A

V
x
T

S

S

F

F

P

P

T

E

F

F

I

M

E

D

T

L

F

M

E

A

S

G

L

L

active site: K23 (= K20), S24 (= S21), D50 (= D47), N93 (= N90), R123 (= R120), D321 (= D312), E349 (= E340), H399 (= H385), R400 (= R386), T426 (≠ V412)
binding glyphosate: K23 (= K20), A94 (≠ S91), A95 (≠ G92), T96 (= T93), R123 (= R120), D321 (= D312), E349 (= E340), R352 (= R343), R400 (= R386)
binding shikimate-3-phosphate: S24 (= S21), R28 (= R25), S168 (= S165), A169 (= A166), Q170 (= Q167), R195 (= R192), D321 (= D312), K348 (= K339)

2gg6A Cp4 epsp synthase liganded with s3p (see paper)
37% identity, 99% coverage: 5:424/426 of query aligns to 8:438/445 of 2gg6A

query
sites
2gg6A

K

R

K

K

V

S

K

S

S

G

I

L

K

S

G

G

T

T

V

V

R

R

V

I

P

P

S

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

S

S

F

F

M

M

L

F

L

G

S

G

M

L

A

A

K

S

G

G

R

E

G

T

R

R

V

I

I

T

D

G

P

L

L

L

L

E

S

G

A

E

D
|
D

T

V

K

I

A

N

T

T

M

G

A

K

A

A

M

M

R

Q

A

A

V

M

G

G

V

A

Q

R

F

I

E

R

E

K

T

E

V

G

N

D

G

T

F

W

V

I

I

I

T

D

S

G

D

V

G

G

Y

N

Q

G

N

G

F

L

K

L

E

A

P

P

S

E

D

A

V

P

I

L

D

D

C

F

M

G

N
|
N

S

A

G

A

T
|
T

S

G

A

C

R

R

L

L

L

T

T

M

G

G

V

L

F

V

A

G

P

V

T

Y

N

D

K

F

Y

D

Y

S

V

T

L

F

T

I

G

G

D

D

N

A

S

S

M

L

R

T

K

K

R
|
R

P

P

M

M

D

G

R

R

V

V

I

L

L

N

P

P

L

L

T

R

E

E

M

M

G

G

A

V

K

Q

F

V

A

K

A

S

R

E

D

D

N

-

G

G

S

D

K

R

L

L

P

P

L

V

T

T

I

L

L

R

-

G

P

P

S

K

V

T

T

P

N

T

P

P

V

I

E

T

L

Y

T

R

A

V

S

P

T

M

K

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

A

A

I

V

L

L

A

A

G

G

V

L

Q

N

T

T

E

P

G

G

V

I

T

T

Y

V

T

I

E

E

K

P

A

I

V

M

T

T

R

R

N

D

H

H

T

T

E

E

I

K

M

M

L

L

S

Q

A

G

L

F

G

G

A

A

N

N

L

L

T

T

V

V

-

E

-

T

-

D

-

A

D

D

G

G

L

V

K

R

-

T

I

I

S

R

V

L

E

E

G

G

A

R

A

G

D

K

L

L

R

T

S

G

I

Q

D

V

V

I

V

D

V

V

P

P

G

G

D

D

F

P

S

S

A

T

A

A

F

F

F

P

L

L

G

V

G

A

T

A

L

L

M

L

F

V

D

P

N

G

S

S

E

D

L

V

I

T

L

I

E

L

N

N

V

V

G

L

L

M

N

N

P

P

T

T

R

R

S

T

G

G

M

L

L

I

N

L

V

T

L

L

T

Q

Q

E

M

M

G

G

V

A

K

D

Y

I

E

E

I

V

D

I

S

N

E

P

R

R

-

L

G

A

G

G

A

G

E

E

K

D

L

V

G

A

D

D

I

L

C

R

I

V

K

R

S

S

Q

S

S

T

F

L

E

K

G

G

C

V

T

T

I

V

D

P

G

E

D

D

I

R

V

A

A

P

N

S

M

M

I

I

D
|
D

E

E

L

Y

P

P

M

I

V

L

A

A

T

V

L

A

G

A

L

A

F

F

A

A

N

E

S

G

P

A

V

T

T

V

I

M

R

N

N

G

A

L

K

E

E

E

L

L

R

R

V

V

K
|
K

E
|
E

S

S

D

D

R

R

I

L

E

S

A

A

T

V

L

A

Y

N

N

G

L

L

R

K

Q

L

L

N

G

G

A

V

E

D

V

C

E

D

E

E

Y

G

E

E

D

T

G

S

M

L

K

V

V

V

Y

R

P

G

I

R

-

P

-

D

-

G

K

K

S

G

V

L

N

G

D

N

K

A

-

S

-

G

A

A

E

A

L

V

K

A

A

T

F

H

D

L

D

D

H
|
H

R
|
R

M

I

A

A

M

M

I

S

A

F

I

L

M

V

L

M

A

G

K

L

R

V

F

S

G

E

G

N

N

P

I

V

T

T

V

V

D

D

M

A

Q

T

C

M

V

I

D

A

V
x
T

S

S

F

F

P

P

T

E

F

F

I

M

E

D

T

L

F

M

E

A

S

G

L

L

active site: K23 (= K20), S24 (= S21), D50 (= D47), N93 (= N90), R123 (= R120), D321 (= D312), E349 (= E340), H399 (= H385), R400 (= R386), T426 (≠ V412)
binding shikimate-3-phosphate: S24 (= S21), R28 (= R25), 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
27% identity, 99% coverage: 4:426/426 of query aligns to 6:426/426 of 3nvsA

query
sites
3nvsA

F

L

K

Q

K

P

V

I

K

E

S

L

I

I

K

S

G

G

T

E

V

V

R

N

V

L

P

P

S

G

D

S

K
|
K

S
|
S

I

V

S

S

H

N

R
|
R

S

A

F

L

M

L

L

L

L

A

S

A

M

L

A

A

K

S

G

G

R

T

G

T

R

R

V

L

I

T

D

N

P

L

L

L

L

D

S

S

A

D

D
|
D

T

I

K

R

A

H

T

M

M

L

A

N

A

A

M

L

R

T

A

K

V

L

G

G

V

V

Q

N

F

Y

E

R

E

L

T

S

V

A

N

D

G

K

F

T

V

T

I

C

T

E

S

V

D

E

G

G

Y

L

-

G

Q

Q

N

A

F

F

K

H

-

T

E

Q

P

P

S

L

D

E

V

L

I

F

D

-

C

L

M

G

N
|
N

S

A

G
|
G

T
|
T

S

A

A

M

R

R

L

P

L

L

T

A

G

A

V

A

F

L

A

C

P

L

T

G

N

Q

K

G

Y

D

Y

Y

V

V

L

L

T

T

G

G

D

E

N
x
P

S

R

M

M

R

K

K
x
E

R
|
R

P

P

M

I

D

G

R
x
H

V

L

I

V

L

D

P

A

L

L

T

R

E
x
Q

M

A

G

G

A

A

K

Q

F

I

A

E

A
x
Y

R

L

D
x
E

N
x
Q

G

E

S

N

K

F

L

P

P

P

L

L

T

R

I

I

L

Q

P

G

S

T

V

G

T

L

N

Q

P

A

V

G

E

T

L

V

T

T

A

I

-

D

S

G

T

S

K

I

S
|
S

A
x
S

Q
|
Q

V

F

K

L

S

T

A

A

I

F

L

L

L

M

A

S

G

A

V

P

Q

L

T

A

E

Q

G

G

V

K

T

V

T

T

Y

I

-

K

-

I

T

V

E

G

K

E

A

L

V

V

T
x
S

R

K

N

P

H
x
Y

T

I

E

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active site: K22 (= K20), S23 (= S21), D49 (= D47), N94 (= N90), P119 (≠ N115), R124 (= R120), H128 (≠ R124), Q135 (≠ E131), Y142 (≠ A138), E144 (≠ D140), A247 (= A235), A255 (≠ L243), D314 (≠ E313), E342 (= E340), H386 (= H385), R387 (= R386), K412 (≠ V412)
binding glyphosate: K22 (= K20), G96 (= G92), R124 (= R120), Q172 (= Q167), D314 (≠ E313), E342 (= E340), R345 (= R343), H386 (= H385), R387 (= R386)
binding magnesium ion: E123 (≠ K119), Q145 (≠ N141)
binding shikimate-3-phosphate: K22 (= K20), S23 (= S21), R27 (= R25), T97 (= T93), S170 (= S165), S171 (≠ A166), Q172 (= Q167), S198 (≠ T191), Y201 (≠ H194), D314 (≠ E313), N337 (≠ E335), K341 (= K339)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S23 (= S21), R27 (= R25), Q172 (= Q167), Y201 (≠ H194), D314 (≠ E313), 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)
27% identity, 99% coverage: 4:426/426 of query aligns to 6:426/426 of Q9KRB0

query
sites
Q9KRB0

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K22 (= K20) binding 3-phosphoshikimate
S23 (= S21) binding 3-phosphoshikimate
R27 (= R25) binding 3-phosphoshikimate
S170 (= S165) binding 3-phosphoshikimate
S171 (≠ A166) binding 3-phosphoshikimate
S198 (≠ T191) binding 3-phosphoshikimate
D314 (≠ E313) 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, 98% coverage: 4:419/426 of query aligns to 6:418/427 of 7tm5B

query
sites
7tm5B

F

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E

binding shikimate-3-phosphate: K22 (= K20), S23 (= S21), R27 (= R25), S169 (= S165), S170 (≠ A166), Q171 (= Q167), S197 (≠ T191), Y200 (≠ H194), D313 (≠ E313), N336 (≠ E335), K340 (= K339)

7tm6A Crystal structure of shikimate-3-phosphate and glyphosate bound 3- phosphoshikimate 1-carboxyvinyltransferase from klebsiella pneumoniae
28% identity, 98% coverage: 4:419/426 of query aligns to 5:417/426 of 7tm6A

query
sites
7tm6A

F

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V

L

L

T

T

G

G

D

E

N

P

S

R

M

M

R

K

K

E

R
|
R

P

P

M

I

D

G

R

H

V

L

I

V

L

D

P

A

L

L

T

R

E

Q

M

G

G

G

A

A

K

Q

F

I

A

D

A

C

R

L

D

E

N

Q

G

E

S

N

K

Y

L

P

P

P

L

L

T

R

I

L

L

R

P

G

S

G

V

F

T

Q

N

G

P

G

-

N

V

V

E

E

L

V

T

D

A

G

S

S

T

V

K

-

S
|
S

A
x
S

Q
|
Q

V

F

K

L

S

T

A

A

I

L

L

L

L

M

A

T

G

A

-

P

-

L

V

A

Q

P

T

Q

E

D

G

T

V

V

T

I

T

V

Y

I

T

K

E

G

K

D

A

L

V

V

T
x
S

R

K

N

P

H
x
Y

T

I

E

D

I

I

M

T

L

L

S

H

A

L

L

M

G

K

A

T

-

F

N

G

L

V

T

E

V

V

D

D

G

N

L

Q

-

S

-

Y

-

Q

K

R

I

F

S

V

V

V

E

R

G

G

A

K

A

Q

D

Q

L

Y

R

Q

S

S

I

P

-

G

D

D

V

Y

V

L

V

V

P

E

G

G

D

D

F

A

S

S

A

A

A

S

F

Y

F

F

L

L

G

A

T

G

L

A

M

I

F

-

D

K

N

G

S

G

E

T

L

V

I

K

L

V

E

T

N

G

V

I

G

G

L

R

N

N

P

S

T

V

R

Q

S

G

G

D

M

I

-

R

-

F

L

A

N

D

V

V

L

L

T

E

Q

K

M

M

G

G

V

A

K

T

Y

V

E

-

I

-

D

-

S

-

E

-

R

-

G

-

A

-

E

-

K

T

L

W

G

G

D

D

I

D

C

F

I

I

K

A

S

C

Q

T

S

H

F

G

E

E

G

L

C

K

T

A

I

V

D

D

G

M

D

D

I

M

V

-

A

-

N

N

M

H

I

I

D

P

E
x
D

L

A

P

A

M

M

-

T

V

I

A

A

T

T

L

A

G

A

L

L

F

F

A

A

N

Q

S

G

P

T

V

T

T

T

I

L

R

R

N

N

A

I

K

Y

E
x
N

L

W

R

R

V

V

K
|
K

E
|
E

S

T

D

D

R
|
R

I

L

E

F

A

A

T

M

L

A

Y

T

N

E

L

L

R

R

Q

K

L

V

G

G

A

A

E

E

V

V

E

E

Y

G

E

E

D

D

G

Y

M

I

K

R

V

I

Y

T

P

P

I

P

K

A

S

K

V

L

N

K

D

-

K

Y

A

A

E

E

L

I

K

G

A

T

F

Y

D

N

D

D

H
|
H

R
|
R

M

M

A

A

M

M

I

C

A

F

I

S

M

L

L

V

A

A

K

L

R

S

F

-

G

D

G

T

N

P

I

V

T

T

V

I

D

L

D

D

M

P

Q

K

C

C

V

T

D

A

V

K

S

T

F

F

P

P

T

D

F

Y

I

F

E

E

binding glyphosate: K21 (= K20), G95 (= G92), R123 (= R120), Q170 (= Q167), D312 (≠ E313), E340 (= E340), R343 (= R343), H384 (= H385), R385 (= R386)
binding shikimate-3-phosphate: S22 (= S21), R26 (= R25), T96 (= T93), S168 (= S165), S169 (≠ A166), Q170 (= Q167), S196 (≠ T191), Y199 (≠ H194), D312 (≠ E313), N335 (≠ E335), K339 (= K339)

2pq9A E. Coli epsps liganded with (r)-difluoromethyl tetrahedral reaction intermediate analog (see paper)
27% identity, 99% coverage: 4:426/426 of query aligns to 6:425/427 of 2pq9A

query
sites
2pq9A

F

L

K

Q

K

P

V

I

K

A

S

R

I

V

K

D

G

G

T

T

V

I

R

N

V

L

P

P

S

G

D

S

K
|
K

S
|
S

I

V

S

S

H

N

R
|
R

S

A

F

L

M

L

L

L

L

A

S

A

M

L

A

A

K

H

G

G

R

K

G

T

R

V

V

L

I

T

D

N

P

L

L

L

L

D

S

S

A

D

D
|
D

T

V

K

R

A

H

T

M

M

L

A

N

A

A

M

L

R

T

A

A

V

L

G

G

V

V

Q

S

F

Y

E

T

E

L

T

S

V

A

N

D

G

R

-

T

-

R

F

C

V

E

I

I

T

I

S

G

D

N

G

G

Y

G

Q

P

N

L

F

H

K

A

E

E

P

G

S

A

D

L

V

E

I

L

D

F

C

L

M

G

N
|
N

S

A

G
|
G

T
|
T

S

A

A

M

R

R

L

P

L

L

T

A

G

A

V

A

F

L

A

C

P

L

T

G

N

S

K

N

Y

D

Y

I

V

V

L

L

T

T

G

G

D

E

N
x
P

S

R

M

M

R

K

K

E

R
|
R

P

P

M

I

D

G

R

H

V

L

I

V

L

D

P

A

L

L

T

R

E

L

M

G

G

G

A

A

K

K

F

I

A

T

A

Y

R

L

D

E

N

Q

G

E

S

N

K

Y

L

P

P

P

L

L

T

R

I

L

L

Q

P

G

S

G

V

F

T

T

N

G

P

G

-

N

V

V

E

D

L

V

T

D

A

G

S

S

T

V

K
x
S

S
|
S

A
x
Q

Q

F

V

L

K

T

S

A

A

L

I

L

L

M

L

T

A

A

G

P

V

L

Q

A

T

P

E

E

G

D

-

T

V

V

T

I

T

R

Y

I

T

K

E

G

K

D

A

L

V

V

T
x
S

R

K

N

P

H
x
Y

T

I

E

D

I

I

M

T

L

L

S

N

A

L

L

M

-

K

-

T

-

F

G

G

A

V

N

E

L

I

T

E

V

N

D

Q

G

H

L

Y

K

Q

-

Q

I

F

S

V

V

V

E

K

G

G

A

G

A

Q

D

S

L

Y

R

Q

S

S

I

P

D

G

V

T

-

Y

V

L

V

V

P

E

G

G

D

D

F

A

S

S

A

A

A

S

F

Y

F

F

L

L

G

A

T

A

L

A

M

I

F

-

D

K

N

G

S

G

E

T

L

V

I

K

L

V

E

T

N

G

V

I

G

G

L

R

N

N

P

S

T

M

R

Q

S

G

G

D

M

I

-

R

-

F

L

A

N

D

V

V

L

L

T

E

Q

K

M

M

G

G

V

A

K

T

Y

I

E

-

I

-

D

-

S

-

E

-

R

-

G

-

A

-

E

-

K

C

L

W

G

G

D

D

I

D

C

Y

I

I

K

S

S

C

Q

T

S

R

F

G

E

E

G

L

C

N

T

A

I

I

D

D

G

M

D

D

I

M

V

-

A

-

N

N

M

H

I

I

D

P

E
x
D

L

A

P

A

M

M

-

T

V

I

A

A

T

T

L

A

G

A

L

L

F

F

A

A

N

K

S

G

P

T

V

T

T

T

I

L

R

R

N

N

A

I

K

Y

E
x
N

L

W

R

R

V

V

K
|
K

E
|
E

S

T

D

D

R
|
R

I

L

E

F

A

A

T

M

L

A

Y

T

N

E

L

L

R

R

Q

K

L

V

G

G

A

A

E

E

V

V

E

E

Y

G

E

H

D

D

G

Y

M

I

K

R

V

I

Y

T

P

P

I

P

K

E

S

K

V

L

N

N

D

-

K

F

A

A

E

E

L

I

K

A

A

T

F

Y

D

N

D

D

H
|
H

R
|
R

M

M

A

A

M

M

I

C

A

F

I

S

M

L

L

V

A

A

K

L

R

S

F

-

G

D

G

T

N

P

I

V

T

T

V

I

D

L

D

D

M

P

Q

K

C

C

V

T

D

A

V
x
K

S

T

F

F

P

P

T

D

F

Y

I

F

E

E

T

Q

F

L

E

A

S

R

L

I

E

S

Q

Q

active site: K22 (= K20), S23 (= S21), D49 (= D47), N94 (= N90), P119 (≠ N115), R124 (= R120), D313 (≠ E313), E341 (= E340), H385 (= H385), R386 (= R386), K411 (≠ V412)
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 (= K20), S23 (= S21), R27 (= R25), G96 (= G92), T97 (= T93), R124 (= R120), S169 (≠ K164), S170 (= S165), Q171 (≠ A166), S197 (≠ T191), Y200 (≠ H194), D313 (≠ E313), N336 (≠ E335), K340 (= K339), R344 (= R343), H385 (= H385), R386 (= R386), K411 (≠ V412)

2aa9A Epsp synthase liganded with shikimate (see paper)
27% identity, 99% coverage: 4:426/426 of query aligns to 6:425/427 of 2aa9A

query
sites
2aa9A

F

L

K

Q

K

P

V

I

K

A

S

R

I

V

K

D

G

G

T

T

V

I

R

N

V

L

P

P

S

G

D

S

K
|
K

S
|
S

I

V

S

S

H

N

R
|
R

S

A

F

L

M

L

L

L

L

A

S

A

M

L

A

A

K

H

G

G

R

K

G

T

R

V

V

L

I

T

D

N

P

L

L

L

L

D

S

S

A

D

D
|
D

T

V

K

R

A

H

T

M

M

L

A

N

A

A

M

L

R

T

A

A

V

L

G

G

V

V

Q

S

F

Y

E

T

E

L

T

S

V

A

N

D

G

R

-

T

-

R

F

C

V

E

I

I

T

I

S

G

D

N

G

G

Y

G

Q

P

N

L

F

H

K

A

E

E

P

G

S

A

D

L

V

E

I

L

D

F

C

L

M

G

N
|
N

S

A

G

G

T
|
T

S

A

A

M

R

R

L

P

L

L

T

A

G

A

V

A

F

L

A

C

P

L

T

G

N

S

K

N

Y

D

Y

I

V

V

L

L

T

T

G

G

D

E

N
x
P

S

R

M

M

R

K

K

E

R
|
R

P

P

M

I

D

G

R

H

V

L

I

V

L

D

P

A

L

L

T

R

E

L

M

G

G

G

A

A

K

K

F

I

A

T

A

Y

R

L

D

E

N

Q

G

E

S

N

K

Y

L

P

P

P

L

L

T

R

I

L

L

Q

P

G

S

G

V

F

T

T

N

G

P

G

-

N

V

V

E

D

L

V

T

D

A

G

S

S

T

V

K

S

S

S

A
x
Q

Q

F

V

L

K

T

S

A

A

L

I

L

L

M

L

T

A

A

G

P

V

L

Q

A

T

P

E

E

G

D

-

T

V

V

T

I

T

R

Y

I

T

K

E

G

K

D

A

L

V

V

T

S

R

K

N

P

H
x
Y

T

I

E

D

I

I

M

T

L

L

S

N

A

L

L

M

-

K

-

T

-

F

G

G

A

V

N

E

L

I

T

E

V

N

D

Q

G

H

L

Y

K

Q

-

Q

I

F

S

V

V

V

E

K

G

G

A

G

A

Q

D

S

L

Y

R

Q

S

S

I

P

D

G

V

T

-

Y

V

L

V

V

P

E

G

G

D

D

F

A

S

S

A

A

A

S

F

Y

F

F

L

L

G

A

T

A

L

A

M

I

F

-

D

K

N

G

S

G

E

T

L

V

I

K

L

V

E

T

N

G

V

I

G

G

L

R

N

N

P

S

T

M

R

Q

S

G

G

D

M

I

-

R

-

F

L

A

N

D

V

V

L

L

T

E

Q

K

M

M

G

G

V

A

K

T

Y

I

E

-

I

-

D

-

S

-

E

-

R

-

G

-

A

-

E

-

K

C

L

W

G

G

D

D

I

D

C

Y

I

I

K

S

S

C

Q

T

S

R

F

G

E

E

G

L

C

N

T

A

I

I

D

D

G

M

D

D

I

M

V

-

A

-

N

N

M

H

I

I

D

P

E
x
D

L

A

P

A

M

M

-

T

V

I

A

A

T

T

L

A

G

A

L

L

F

F

A

A

N

K

S

G

P

T

V

T

T

T

I

L

R

R

N

N

A

I

K

Y

E

N

L

W

R

R

V

V

K
|
K

E
|
E

S

T

D

D

R

R

I

L

E

F

A

A

T

M

L

A

Y

T

N

E

L

L

R

R

Q

K

L

V

G

G

A

A

E

E

V

V

E

E

Y

G

E

H

D

D

G

Y

M

I

K

R

V

I

Y

T

P

P

I

P

K

E

S

K

V

L

N

N

D

-

K

F

A

A

E

E

L

I

K

A

A

T

F

Y

D

N

D

D

H
|
H

R
|
R

M

M

A

A

M

M

I

C

A

F

I

S

M

L

L

V

A

A

K

L

R

S

F

-

G

D

G

T

N

P

I

V

T

T

V

I

D

L

D

D

M

P

Q

K

C

C

V

T

D

A

V
x
K

S

T

F

F

P

P

T

D

F

Y

I

F

E

E

T

Q

F

L

E

A

S

R

L

I

E

S

Q

Q

active site: K22 (= K20), S23 (= S21), D49 (= D47), N94 (= N90), P119 (≠ N115), R124 (= R120), D313 (≠ E313), E341 (= E340), H385 (= H385), R386 (= R386), K411 (≠ V412)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: K22 (= K20), S23 (= S21), R27 (= R25), T97 (= T93), Q171 (≠ A166), Y200 (≠ H194), D313 (≠ E313), K340 (= K339)

1x8tA Epsps liganded with the (r)-phosphonate analog of the tetrahedral reaction intermediate (see paper)
27% identity, 99% coverage: 4:426/426 of query aligns to 6:425/427 of 1x8tA

query
sites
1x8tA

F

L

K

Q

K

P

V

I

K

A

S

R

I

V

K

D

G

G

T

T

V

I

R

N

V

L

P

P

S

G

D

S

K
|
K

S
|
S

I

V

S

S

H

N

R
|
R

S

A

F

L

M

L

L

L

L

A

S

A

M

L

A

A

K

H

G

G

R

K

G

T

R

V

V

L

I

T

D

N

P

L

L

L

L

D

S

S

A

D

D
|
D

T

V

K

R

A

H

T

M

M

L

A

N

A

A

M

L

R

T

A

A

V

L

G

G

V

V

Q

S

F

Y

E

T

E

L

T

S

V

A

N

D

G

R

-

T

-

R

F

C

V

E

I

I

T

I

S

G

D

N

G

G

Y

G

Q

P

N

L

F

H

K

A

E

E

P

G

S

A

D

L

V

E

I

L

D

F

C

L

M

G

N
|
N

S

A

G

G

T
|
T

S

A

A

M

R

R

L

P

L

L

T

A

G

A

V

A

F

L

A

C

P

L

T

G

N

S

K

N

Y

D

Y

I

V

V

L

L

T

T

G

G

D

E

N
x
P

S

R

M

M

R

K

K

E

R
|
R

P

P

M

I

D

G

R

H

V

L

I

V

L

D

P

A

L

L

T

R

E

L

M

G

G

G

A

A

K

K

F

I

A

T

A

Y

R

L

D

E

N

Q

G

E

S

N

K

Y

L

P

P

P

L

L

T

R

I

L

L

Q

P

G

S

G

V

F

T

T

N

G

P

G

-

N

V

V

E

D

L

V

T

D

A

G

S

S

T

V

K
x
S

S
|
S

A
x
Q

Q

F

V

L

K

T

S

A

A

L

I

L

L

M

L

T

A

A

G

P

V

L

Q

A

T

P

E

E

G

D

-

T

V

V

T

I

T

R

Y

I

T

K

E

G

K

D

A

L

V

V

T
x
S

R

K

N

P

H
x
Y

T

I

E

D

I

I

M

T

L

L

S

N

A

L

L

M

-

K

-

T

-

F

G

G

A

V

N

E

L

I

T

E

V

N

D

Q

G

H

L

Y

K

Q

-

Q

I

F

S

V

V

V

E

K

G

G

A

G

A

Q

D

S

L

Y

R

Q

S

S

I

P

D

G

V

T

-

Y

V

L

V

V

P

E

G

G

D

D

F

A

S

S

A

A

A

S

F

Y

F

F

L

L

G

A

T

A

L

A

M

I

F

-

D

K

N

G

S

G

E

T

L

V

I

K

L

V

E

T

N

G

V

I

G

G

L

R

N

N

P

S

T

M

R

Q

S

G

G

D

M

I

-

R

-

F

L

A

N

D

V

V

L

L

T

E

Q

K

M

M

G

G

V

A

K

T

Y

I

E

-

I

-

D

-

S

-

E

-

R

-

G

-

A

-

E

-

K

C

L

W

G

G

D

D

I

D

C

Y

I

I

K

S

S

C

Q

T

S

R

F

G

E

E

G

L

C

N

T

A

I

I

D

D

G

M

D

D

I

M

V

-

A

-

N

N

M

H

I

I

D

P

E
x
D

L

A

P

A

M

M

-

T

V

I

A

A

T

T

L

A

G

A

L

L

F

F

A

A

N

K

S

G

P

T

V

T

T

T

I

L

R

R

N

N

A

I

K

Y

E
x
N

L

W

R

R

V

V

K
|
K

E
|
E

S

T

D

D

R
|
R

I

L

E

F

A

A

T

M

L

A

Y

T

N

E

L

L

R

R

Q

K

L

V

G

G

A

A

E

E

V

V

E

E

Y

G

E

H

D

D

G

Y

M

I

K

R

V

I

Y

T

P

P

I

P

K

E

S

K

V

L

N

N

D

-

K

F

A

A

E

E

L

I

K

A

A

T

F

Y

D

N

D

D

H
|
H

R
|
R

M

M

A

A

M

M

I

C

A

F

I

S

M

L

L

V

A

A

K

L

R

S

F

-

G

D

G

T

N

P

I

V

T

T

V

I

D

L

D

D

M

P

Q

K

C

C

V

T

D

A

V
x
K

S

T

F

F

P

P

T

D

F

Y

I

F

E

E

T

Q

F

L

E

A

S

R

L

I

E

S

Q

Q

active site: K22 (= K20), S23 (= S21), D49 (= D47), N94 (= N90), P119 (≠ N115), R124 (= R120), D313 (≠ E313), E341 (= E340), H385 (= H385), R386 (= R386), K411 (≠ V412)
binding [3r-[3a,4a,5b(r*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid: K22 (= K20), S23 (= S21), R27 (= R25), T97 (= T93), S169 (≠ K164), S170 (= S165), Q171 (≠ A166), S197 (≠ T191), Y200 (≠ H194), D313 (≠ E313), N336 (≠ E335), K340 (= K339), R344 (= R343), H385 (= H385), R386 (= R386)

1x8rA Epsps liganded with the (s)-phosphonate analog of the tetrahedral reaction intermediate (see paper)
27% identity, 99% coverage: 4:426/426 of query aligns to 6:425/427 of 1x8rA

query
sites
1x8rA

F

L

K

Q

K

P

V

I

K

A

S

R

I

V

K

D

G

G

T

T

V

I

R

N

V

L

P

P

S

G

D

S

K
|
K

S
|
S

I

V

S

S

H

N

R
|
R

S

A

F

L

M

L

L

L

L

A

S

A

M

L

A

A

K

H

G

G

R

K

G

T

R

V

V

L

I

T

D

N

P

L

L

L

L

D

S

S

A

D

D
|
D

T

V

K

R

A

H

T

M

M

L

A

N

A

A

M

L

R

T

A

A

V

L

G

G

V

V

Q

S

F

Y

E

T

E

L

T

S

V

A

N

D

G

R

-

T

-

R

F

C

V

E

I

I

T

I

S

G

D

N

G

G

Y

G

Q

P

N

L

F

H

K

A

E

E

P

G

S

A

D

L

V

E

I

L

D

F

C

L

M

G

N
|
N

S

A

G
|
G

T
|
T

S

A

A

M

R

R

L

P

L

L

T

A

G

A

V

A

F

L

A

C

P

L

T

G

N

S

K

N

Y

D

Y

I

V

V

L

L

T

T

G

G

D

E

N
x
P

S

R

M

M

R

K

K

E

R
|
R

P

P

M

I

D

G

R

H

V

L

I

V

L

D

P

A

L

L

T

R

E

L

M

G

G

G

A

A

K

K

F

I

A

T

A

Y

R

L

D

E

N

Q

G

E

S

N

K

Y

L

P

P

P

L

L

T

R

I

L

L

Q

P

G

S

G

V

F

T

T

N

G

P

G

-

N

V

V

E

D

L

V

T

D

A

G

S

S

T

V

K
x
S

S
|
S

A
x
Q

Q

F

V

L

K

T

S

A

A

L

I

L

L

M

L

T

A

A

G

P

V

L

Q

A

T

P

E

E

G

D

-

T

V

V

T

I

T

R

Y

I

T

K

E

G

K

D

A

L

V

V

T
x
S

R

K

N

P

H
x
Y

T

I

E

D

I

I

M

T

L

L

S

N

A

L

L

M

-

K

-

T

-

F

G

G

A

V

N

E

L

I

T

E

V

N

D

Q

G

H

L

Y

K

Q

-

Q

I

F

S

V

V

V

E

K

G

G

A

G

A

Q

D

S

L

Y

R

Q

S

S

I

P

D

G

V

T

-

Y

V

L

V

V

P

E

G

G

D

D

F

A

S

S

A

A

A

S

F

Y

F

F

L

L

G

A

T

A

L

A

M

I

F

-

D

K

N

G

S

G

E

T

L

V

I

K

L

V

E

T

N

G

V

I

G

G

L

R

N

N

P

S

T

M

R

Q

S

G

G

D

M

I

-

R

-

F

L

A

N

D

V

V

L

L

T

E

Q

K

M

M

G

G

V

A

K

T

Y

I

E

-

I

-

D

-

S

-

E

-

R

-

G

-

A

-

E

-

K

C

L

W

G

G

D

D

I

D

C

Y

I

I

K

S

S

C

Q

T

S

R

F

G

E

E

G

L

C

N

T

A

I

I

D

D

G

M

D

D

I

M

V

-

A

-

N

N

M

H

I

I

D

P

E
x
D

L

A

P

A

M

M

-

T

V

I

A

A

T

T

L

A

G

A

L

L

F

F

A

A

N

K

S

G

P

T

V

T

T

T

I

L

R

R

N

N

A

I

K

Y

E
x
N

L

W

R

R

V

V

K
|
K

E
|
E

S

T

D

D

R

R

I

L

E

F

A

A

T

M

L

A

Y

T

N

E

L

L

R

R

Q

K

L

V

G

G

A

A

E

E

V

V

E

E

Y

G

E

H

D

D

G

Y

M

I

K

R

V

I

Y

T

P

P

I

P

K

E

S

K

V

L

N

N

D

-

K

F

A

A

E

E

L

I

K

A

A

T

F

Y

D

N

D

D

H
|
H

R
|
R

M

M

A

A

M

M

I

C

A

F

I

S

M

L

L

V

A

A

K

L

R

S

F

-

G

D

G

T

N

P

I

V

T

T

V

I

D

L

D

D

M

P

Q

K

C

C

V

T

D

A

V
x
K

S

T

F

F

P

P

T

D

F

Y

I

F

E

E

T

Q

F

L

E

A

S

R

L

I

E

S

Q

Q

active site: K22 (= K20), S23 (= S21), D49 (= D47), N94 (= N90), P119 (≠ N115), R124 (= R120), D313 (≠ E313), E341 (= E340), H385 (= H385), R386 (= R386), K411 (≠ V412)
binding [3r-[3a,4a,5b(s*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid: K22 (= K20), S23 (= S21), R27 (= R25), G96 (= G92), T97 (= T93), R124 (= R120), S169 (≠ K164), S170 (= S165), Q171 (≠ A166), S197 (≠ T191), Y200 (≠ H194), D313 (≠ E313), N336 (≠ E335), K340 (= K339), E341 (= E340), H385 (= H385), K411 (≠ V412)

1g6tA Structure of epsp synthase liganded with shikimate-3-phosphate (see paper)
27% identity, 99% coverage: 4:426/426 of query aligns to 6:425/427 of 1g6tA

query
sites
1g6tA

F

L

K

Q

K

P

V

I

K

A

S

R

I

V

K

D

G

G

T

T

V

I

R

N

V

L

P

P

S

G

D

S

K
|
K

S
|
S

I

V

S

S

H

N

R
|
R

S

A

F

L

M

L

L

L

L

A

S

A

M

L

A

A

K

H

G

G

R

K

G

T

R

V

V

L

I

T

D

N

P

L

L

L

L

D

S

S

A

D

D
|
D

T

V

K

R

A

H

T

M

M

L

A

N

A

A

M

L

R

T

A

A

V

L

G

G

V

V

Q

S

F

Y

E

T

E

L

T

S

V

A

N

D

G

R

-

T

-

R

F

C

V

E

I

I

T

I

S

G

D

N

G

G

Y

G

Q

P

N

L

F

H

K

A

E

E

P

G

S

A

D

L

V

E

I

L

D

F

C

L

M

G

N
|
N

S

A

G
|
G

T
|
T

S

A

A

M

R

R

L

P

L

L

T

A

G

A

V

A

F

L

A

C

P

L

T

G

N

S

K

N

Y

D

Y

I

V

V

L

L

T

T

G

G

D

E

N
x
P

S

R

M

M

R

K

K

E

R
|
R

P

P

M

I

D

G

R

H

V

L

I

V

L

D

P

A

L

L

T

R

E

L

M

G

G

G

A

A

K

K

F

I

A

T

A

Y

R

L

D

E

N

Q

G

E

S

N

K

Y

L

P

P

P

L

L

T

R

I

L

L

Q

P

G

S

G

V

F

T

T

N

G

P

G

-

N

V

V

E

D

L

V

T

D

A

G

S

S

T

V

K
x
S

S
|
S

A
x
Q

Q

F

V

L

K

T

S

A

A

L

I

L

L

M

L

T

A

A

G

P

V

L

Q

A

T

P

E

E

G

D

-

T

V

V

T

I

T

R

Y

I

T

K

E

G

K

D

A

L

V

V

T
x
S

R

K

N

P

H
x
Y

T

I

E

D

I

I

M

T

L

L

S

N

A

L

L

M

-

K

-

T

-

F

G

G

A

V

N

E

L

I

T

E

V

N

D

Q

G

H

L

Y

K

Q

-

Q

I

F

S

V

V

V

E

K

G

G

A

G

A

Q

D

S

L

Y

R

Q

S

S

I

P

D

G

V

T

-

Y

V

L

V

V

P

E

G

G

D

D

F

A

S

S

A

A

A

S

F

Y

F

F

L

L

G

A

T

A

L

A

M

I

F

-

D

K

N

G

S

G

E

T

L

V

I

K

L

V

E

T

N

G

V

I

G

G

L

R

N

N

P

S

T

M

R

Q

S

G

G

D

M

I

-

R

-

F

L

A

N

D

V

V

L

L

T

E

Q

K

M

M

G

G

V

A

K

T

Y

I

E

-

I

-

D

-

S

-

E

-

R

-

G

-

A

-

E

-

K

C

L

W

G

G

D

D

I

D

C

Y

I

I

K

S

S

C

Q

T

S

R

F

G

E

E

G

L

C

N

T

A

I

I

D

D

G

M

D

D

I

M

V

-

A

-

N

N

M

H

I

I

D

P

E
x
D

L

A

P

A

M

M

-

T

V

I

A

A

T

T

L

A

G

A

L

L

F

F

A

A

N

K

S

G

P

T

V

T

T

T

I

L

R

R

N

N

A

I

K

Y

E
x
N

L

W

R

R

V

V

K
|
K

E
|
E

S

T

D

D

R

R

I

L

E

F

A

A

T

M

L

A

Y

T

N

E

L

L

R

R

Q

K

L

V

G

G

A

A

E

E

V

V

E

E

Y

G

E

H

D

D

G

Y

M

I

K

R

V

I

Y

T

P

P

I

P

K

E

S

K

V

L

N

N

D

-

K

F

A

A

E

E

L

I

K

A

A

T

F

Y

D

N

D

D

H
|
H

R
|
R

M

M

A

A

M

M

I

C

A

F

I

S

M

L

L

V

A

A

K

L

R

S

F

-

G

D

G

T

N

P

I

V

T

T

V

I

D

L

D

D

M

P

Q

K

C

C

V

T

D

A

V
x
K

S

T

F

F

P

P

T

D

F

Y

I

F

E

E

T

Q

F

L

E

A

S

R

L

I

E

S

Q

Q

active site: K22 (= K20), S23 (= S21), D49 (= D47), N94 (= N90), P119 (≠ N115), R124 (= R120), D313 (≠ E313), E341 (= E340), H385 (= H385), R386 (= R386), K411 (≠ V412)
binding phosphate ion: K22 (= K20), G96 (= G92), T97 (= T93), R124 (= R120), Q171 (≠ A166), E341 (= E340), K411 (≠ V412)
binding shikimate-3-phosphate: K22 (= K20), S23 (= S21), R27 (= R25), T97 (= T93), S169 (≠ K164), S170 (= S165), Q171 (≠ A166), S197 (≠ T191), Y200 (≠ H194), D313 (≠ E313), N336 (≠ E335), K340 (= K339)

Query Sequence

>WP_013012189.1 NCBI__GCF_000025725.1:WP_013012189.1
MKKFKKVKSIKGTVRVPSDKSISHRSFMLLSMAKGRGRVIDPLLSADTKATMAAMRAVGV
QFEETVNGFVITSDGYQNFKEPSDVIDCMNSGTSARLLTGVFAPTNKYYVLTGDNSMRKR
PMDRVILPLTEMGAKFAARDNGSKLPLTILPSVTNPVELTASTKSAQVKSAILLAGVQTE
GVTTYTEKAVTRNHTEIMLSALGANLTVDGLKISVEGAADLRSIDVVVPGDFSSAAFFLG
GTLMFDNSELILENVGLNPTRSGMLNVLTQMGVKYEIDSERGGAEKLGDICIKSQSFEGC
TIDGDIVANMIDELPMVATLGLFANSPVTIRNAKELRVKESDRIEATLYNLRQLGAEVEE
YEDGMKVYPIKSVNDKAELKAFDDHRMAMIAIMLAKRFGGNITVDDMQCVDVSFPTFIET
FESLEQ

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