SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012467016.1 NCBI__GCF_000020465.1:WP_012467016.1 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)

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)
39% identity, 98% coverage: 4:428/434 of query aligns to 11:421/438 of Q83E11

query
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Q83E11

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K21 (= K15) binding phosphoenolpyruvate
S22 (= S16) binding 3-phosphoshikimate
R26 (= R20) binding 3-phosphoshikimate
NSGT 93:96 (≠ NSGS 94:97) Phosphoenolpyruvate
G95 (= G96) binding phosphoenolpyruvate
T96 (≠ S97) binding phosphoenolpyruvate
R123 (= R124) binding phosphoenolpyruvate
S167 (= S169) binding 3-phosphoshikimate
A168 (= A170) binding 3-phosphoshikimate
Q169 (= Q171) binding 3-phosphoshikimate; binding phosphoenolpyruvate
D315 (= D319) binding 3-phosphoshikimate
K342 (= K346) binding 3-phosphoshikimate
R346 (= R350) binding phosphoenolpyruvate
R387 (= R394) binding phosphoenolpyruvate

3slhD 1.70 angstrom resolution structure of 3-phosphoshikimate 1- carboxyvinyltransferase (aroa) from coxiella burnetii in complex with shikimate-3-phosphate and glyphosate
39% identity, 98% coverage: 4:428/434 of query aligns to 13:423/440 of 3slhD

query
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3slhD

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active site: K23 (= K15), S24 (= S16), D50 (= D42), N95 (= N94), R125 (= R124), D317 (= D319), E345 (= E347), H388 (= H393), R389 (= R394), T415 (≠ V420)
binding glyphosate: K23 (= K15), G97 (= G96), T98 (≠ S97), R125 (= R124), Q171 (= Q171), D317 (= D319), E345 (= E347), R348 (= R350), H388 (= H393), R389 (= R394)
binding shikimate-3-phosphate: S24 (= S16), R28 (= R20), S169 (= S169), Q171 (= Q171), R196 (= R196), D317 (= D319), K344 (= K346)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S24 (= S16), R28 (= R20), T98 (≠ S97), Q171 (= Q171), R196 (= R196), D317 (= D319), K344 (= K346)

4egrA 2.50 angstrom resolution structure of 3-phosphoshikimate 1- carboxyvinyltransferase (aroa) from coxiella burnetii in complex with phosphoenolpyruvate
39% identity, 98% coverage: 4:428/434 of query aligns to 13:419/434 of 4egrA

query
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4egrA

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G

L

L

E

Q

R

K

L

L

G

G

F

I

D

A

C

A

E

E

Q

S

Y

L

P

P

D

D

G

G

F

V

R

I

V

I

I

Q

G

G

R

G

R

T

C

L

R

E

P

G

V

-

G

G

Q

E

V

V

T

N

V

-

A

-

C

S

F

Y

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

A

F

F

A

A

V

V

A

A

A

G

R

T

A

L

T

A

G

K

E

G

G

P

I

V

A

R

L

I

S

R

D

N

S

C

D

D

V

N

V

V

G

K

V
x
T

S

S

F

F

P

P

N

N

F

F

F

V

E

E

I

L

active site: K23 (= K15), S24 (= S16), D50 (= D42), N95 (= N94), R125 (= R124), D313 (= D319), E341 (= E347), H384 (= H393), R385 (= R394), T411 (≠ V420)
binding phosphoenolpyruvate: K23 (= K15), G97 (= G96), T98 (≠ S97), R125 (= R124), D313 (= D319), E341 (= E347), R344 (= R350), R385 (= R394)

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)
38% identity, 98% coverage: 11:434/434 of query aligns to 24:445/455 of Q9R4E4

query
sites
Q9R4E4

L

I

P

P

P

G

D

D

K

K

S
|
S

I

I

S

S

H

H

R
|
R

A

S

A

F

L

M

I

F

G

G

S

G

L

L

S

A

E

S

G

G

V

E

T

T

E

R

I

I

T

T

N

G

F

L

S

L

A

E

G

G

F

E

D

D

N

V

Q

I

S

N

T

T

L

G

G

K

V

A

L

M

H

Q

D

-

A

-

G

-

I

-

E

-

V

-

S

-

Q

-

H

-

E

-

I

-

D

-

G

-

A

A

Y

M

G

G

R

A

R

R

I

I

R

R

K

K

-

E

-

G

-

D

-

T

V

W

I

I

S

D

S

G

R

V

G

G

L

N

W

G

S

G

F

L

T

L

A

A

P

P

E

E

K

A

P

P

L

L

M

D

C

F

N

G

N

N

S

A

G
x
A

S

T

T

G

M

C

R

R

M

L

F

T

A

M

G

G

I

L

L

V

A

G

A

V

Q

Y

P

D

F

F

E

D

S

S

E

T

L

F

V

I

G

G

D

D

S

A

S

S

L

L

M

T

K

K

R

R

P

P

M

M

K

G

R

R

V

V

A

L

D

N

P

P

L

L

R

R

Q

E

M

M

G

G

A

V

G

Q

V

V

D

K

L

S

S

E

P

D

A

G

G

D

T

R

A

L

P

P

V

V

R

T

I

L

R

R

G

G

T

P

R

K

D

T

L

P

T

T

P

P

L

I

E

T

Y

Y

R

R

L

V

P

P

V

M

P

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

L

A

V

V

T

L

F

L

A

A

A

G

L

L

H

N

A

T

D

P

G

G

E

I

T

T

R

T

I

V

I

I

E

E

S

P

I

I

R

M

S

T

R

R

N

D

H

H

T

T

E

E

L

K

M

M

L

L

-

Q

-

G

-

F

-

G

-

A

G

N

L

L

E

T

T

V

I

E

D

T

R

D

P

A

D

D

G

G

E

V

R

R

V

T

I

I

V

R

I

L

P

E

G

G

R

R

K

G

T

K

I

L

V

T

A

G

R

Q

S

V

F

I

Y

D

I

V

P

P

A

G

D

D

P

P

S

S

A

S

A

T

C

A

F

F

I

P

V

L

A

V

L

A

G

A

L

L

G

V

S

P

N

G

S

S

E

D

I

V

I

T

I

I

R

L

D

N

V

V

C

L

L

M

N

N

P

P

T

T

R

R

V

T

E

G

F

L

I

I

P

L

L

T

L

L

T

Q

G

E

A

M

G

G

A

A

D

D

I

I

T

E

I

V

E

I

N

N

S

P

R

R

I

L

I

A

G

G

E

E

T

D

I

V

G

A

D

D

I

L

L

R

V

V

R

R

S

S

T

S

R

-

T

T

L

L

K

K

P

G

L

V

V

T

I

V

S

P

N

E

P

D

T

R

V

A

V

P

A

S

G

-

V

M

I

I

D
|
D

E

E

L

Y

P

P

M

I

L

L

S

A

V

V

L

A

S

A

A

A

F

F

S

A

S

E

G

G

E

A

F

T

E

V

L

M

H

N

N

G

A

L

E

E

L

L

R

R

T

V

K
|
K

E

E

S

S

D

D

R

R

I

L

N

S

A

A

I

V

V

A

V

N

N

G

L

L

E

K

R

L

L

N

G

G

F

V

D

D

C

C

E

D

Q

E

Y

G

P

E

D

T

G

S

F

L

R

V

V

V

I

-

G

-

R

-

R

R

C

G

R

R

P

P

V

D

G

G

Q

K

-

G

-

L

-

G

-

N

-

A

-

S

-

G

V

A

T

A

V

V

A

A

C

T

F

H

D

L

D

D

H

H

R

R

I

I

A

A

M

M

S

S

F

F

A

L

V

V

A

M

A

G

R

L

A

V

T

S

G

E

E

N

G

P

I

V

A

T

L

V

S

D

D

D

S

A

D

T

V

M

V

I

G

A

V

T

S

S

F

F

P

P

N

E

F

F

F

M

E

D

I

L

I

M

E

A

N

G

L

L

K

G

A

A

S29 (= S16) binding 3-phosphoshikimate
R33 (= R20) binding 3-phosphoshikimate
A100 (≠ G96) mutation to G: Confers sensitivity to glyphosate allowing glyphosate to bind in its extended, inhibitory conformation.
S173 (= S169) binding 3-phosphoshikimate
A174 (= A170) binding 3-phosphoshikimate
Q175 (= Q171) binding 3-phosphoshikimate
D326 (= D319) binding 3-phosphoshikimate
K353 (= K346) binding 3-phosphoshikimate

2pqcA Cp4 epsps liganded with (r)-phosphonate tetrahedral reaction intermediate analog (see paper)
38% identity, 98% coverage: 11:434/434 of query aligns to 19:440/445 of 2pqcA

query
sites
2pqcA

L

I

P

P

P

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

A

S

A

F

L

M

I

F

G

G

S

G

L

L

S

A

E

S

G

G

V

E

T

T

E

R

I

I

T

T

N

G

F

L

S

L

A

E

G

G

F

E

D
|
D

N

V

Q

I

S

N

T

T

L

G

G

K

V

A

L

M

H

Q

D

-

A

-

G

-

I

-

E

-

V

-

S

-

Q

-

H

-

E

-

I

-

D

-

G

-

A

A

Y

M

G

G

R

A

R

R

I

I

R

R

K

K

-

E

-

G

-

D

-

T

V

W

I

I

S

D

S

G

R

V

G

G

L

N

W

G

S

G

F

L

T

L

A

A

P

P

E

E

K

A

P

P

L

L

M

D

C

F

N

G

N
|
N

S

A

G

A

S
x
T

T

G

M

C

R

R

M

L

F

T

A

M

G

G

I

L

L

V

A

G

A

V

Q

Y

P

D

F

F

E

D

S

S

E

T

L

F

V

I

G

G

D

D

S

A

S

S

L

L

M

T

K

K

R
|
R

P

P

M

M

K

G

R

R

V

V

A

L

D

N

P

P

L

L

R

R

Q

E

M

M

G

G

A

V

G

Q

V

V

D

K

L

S

S

E

P

D

A

G

G

D

T

R

A

L

P

P

V

V

R

T

I

L

R

R

G

G

T

P

R

K

D

T

L

P

T

T

P

P

L

I

E

T

Y

Y

R

R

L

V

P

P

V

M

P

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

L

A

V

V

T

L

F

L

A

A

A

G

L

L

H

N

A

T

D

P

G

G

E

I

T

T

R

T

I

V

I

I

E

E

S

P

I

I

R

M

S

T

R

R

N

D

H

H

T

T

E

E

L

K

M

M

L

L

-

Q

-

G

-

F

-

G

-

A

G

N

L

L

E

T

T

V

I

E

D

T

R

D

P

A

D

D

G

G

E

V

R

R

V

T

I

I

V

R

I

L

P

E

G

G

R

R

K

G

T

K

I

L

V

T

A

G

R

Q

S

V

F

I

Y

D

I

V

P

P

A

G

D

D

P

P

S

S

A

S

A

T

C

A

F

F

I

P

V

L

A

V

L

A

G

A

L

L

G

V

S

P

N

G

S

S

E

D

I

V

I

T

I

I

R

L

D

N

V

V

C

L

L

M

N

N

P

P

T

T

R

R

V

T

E

G

F

L

I

I

P

L

L

T

L

L

T

Q

G

E

A

M

G

G

A

A

D

D

I

I

T

E

I

V

E

I

N

N

S

P

R

R

I

L

I

A

G

G

E

E

T

D

I

V

G

A

D

D

I

L

L

R

V

V

R

R

S

S

T

S

R

-

T

T

L

L

K

K

P

G

L

V

V

T

I

V

S

P

N

E

P

D

T

R

V

A

V

P

A

S

G

-

V

M

I

I

D
|
D

E

E

L

Y

P

P

M

I

L

L

S

A

V

V

L

A

S

A

A

A

F

F

S

A

S

E

G

G

E

A

F

T

E

V

L

M

H

N

N

G

A

L

E

E

L

L

R

R

T

V

K
|
K

E
|
E

S

S

D

D

R
|
R

I

L

N

S

A

A

I

V

V

A

V

N

N

G

L

L

E

K

R

L

L

N

G

G

F

V

D

D

C

C

E

D

Q

E

Y

G

P

E

D

T

G

S

F

L

R

V

V

V

I

-

G

-

R

-

R

R

C

G

R

R

P

P

V

D

G

G

Q

K

-

G

-

L

-

G

-

N

-

A

-

S

-

G

V

A

T

A

V

V

A

A

C

T

F

H

D

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

S

F

F

A

L

V

V

A

M

A

G

R

L

A

V

T

S

G

E

E

N

G

P

I

V

A

T

L

V

S

D

D

D

S

A

D

T

V

M

V

I

G

A

V
x
T

S

S

F

F

P

P

N

E

F

F

F

M

E

D

I

L

I

M

E

A

N

G

L

L

K

G

A

A

active site: K23 (= K15), S24 (= S16), D50 (= D42), N93 (= N94), R123 (= R124), D321 (= D319), E349 (= E347), H399 (= H393), R400 (= R394), T426 (≠ V420)
binding [3r-[3a,4a,5b(r*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid: K23 (= K15), S24 (= S16), R28 (= R20), T96 (≠ S97), R123 (= R124), S168 (= S169), Q170 (= Q171), D321 (= D319), K348 (= K346), E349 (= E347), R352 (= R350), R400 (= R394)

2pqbA Cp4 epsps liganded with (r)-difluoromethyl tetrahedral intermediate analog (see paper)
38% identity, 98% coverage: 11:434/434 of query aligns to 19:440/445 of 2pqbA

query
sites
2pqbA

L

I

P

P

P

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

A

S

A

F

L

M

I

F

G

G

S

G

L

L

S

A

E

S

G

G

V

E

T

T

E

R

I

I

T

T

N

G

F

L

S

L

A

E

G

G

F

E

D
|
D

N

V

Q

I

S

N

T

T

L

G

G

K

V

A

L

M

H

Q

D

-

A

-

G

-

I

-

E

-

V

-

S

-

Q

-

H

-

E

-

I

-

D

-

G

-

A

A

Y

M

G

G

R

A

R

R

I

I

R

R

K

K

-

E

-

G

-

D

-

T

V

W

I

I

S

D

S

G

R

V

G

G

L

N

W

G

S

G

F

L

T

L

A

A

P

P

E

E

K

A

P

P

L

L

M

D

C

F

N

G

N
|
N

S

A

G
x
A

S
x
T

T

G

M

C

R

R

M

L

F

T

A

M

G

G

I

L

L

V

A

G

A

V

Q

Y

P

D

F

F

E

D

S

S

E

T

L

F

V

I

G

G

D

D

S

A

S

S

L

L

M

T

K

K

R
|
R

P

P

M

M

K

G

R

R

V

V

A

L

D

N

P

P

L

L

R

R

Q

E

M

M

G

G

A

V

G

Q

V

V

D

K

L

S

S

E

P

D

A

G

G

D

T

R

A

L

P

P

V

V

R

T

I

L

R

R

G

G

T

P

R

K

D

T

L

P

T

T

P

P

L

I

E

T

Y

Y

R

R

L

V

P

P

V

M

P

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

L

A

V

V

T

L

F

L

A

A

A

G

L

L

H

N

A

T

D

P

G

G

E

I

T

T

R

T

I

V

I

I

E

E

S

P

I

I

R

M

S

T

R

R

N

D

H

H

T

T

E

E

L

K

M

M

L

L

-

Q

-

G

-

F

-

G

-

A

G

N

L

L

E

T

T

V

I

E

D

T

R

D

P

A

D

D

G

G

E

V

R

R

V

T

I

I

V

R

I

L

P

E

G

G

R

R

K

G

T

K

I

L

V

T

A

G

R

Q

S

V

F

I

Y

D

I

V

P

P

A

G

D

D

P

P

S

S

A

S

A

T

C

A

F

F

I

P

V

L

A

V

L

A

G

A

L

L

G

V

S

P

N

G

S

S

E

D

I

V

I

T

I

I

R

L

D

N

V

V

C

L

L

M

N

N

P

P

T

T

R

R

V

T

E

G

F

L

I

I

P

L

L

T

L

L

T

Q

G

E

A

M

G

G

A

A

D

D

I

I

T

E

I

V

E

I

N

N

S

P

R

R

I

L

I

A

G

G

E

E

T

D

I

V

G

A

D

D

I

L

L

R

V

V

R

R

S

S

T

S

R

-

T

T

L

L

K

K

P

G

L

V

V

T

I

V

S

P

N

E

P

D

T

R

V

A

V

P

A

S

G

-

V

M

I

I

D
|
D

E

E

L

Y

P

P

M

I

L

L

S

A

V

V

L

A

S

A

A

A

F

F

S

A

S

E

G

G

E

A

F

T

E

V

L

M

H

N

N

G

A

L

E

E

L

L

R

R

T

V

K
|
K

E
|
E

S

S

D

D

R
|
R

I

L

N

S

A

A

I

V

V

A

V

N

N

G

L

L

E

K

R

L

L

N

G

G

F

V

D

D

C

C

E

D

Q

E

Y

G

P

E

D

T

G

S

F

L

R

V

V

V

I

-

G

-

R

-

R

R

C

G

R

R

P

P

V

D

G

G

Q

K

-

G

-

L

-

G

-

N

-

A

-

S

-

G

V

A

T

A

V

V

A

A

C

T

F

H

D

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

S

F

F

A

L

V

V

A

M

A

G

R

L

A

V

T

S

G

E

E

N

G

P

I

V

A

T

L

V

S

D

D

D

S

A

D

T

V

M

V

I

G

A

V
x
T

S

S

F

F

P

P

N

E

F

F

F

M

E

D

I

L

I

M

E

A

N

G

L

L

K

G

A

A

active site: K23 (= K15), S24 (= S16), D50 (= D42), N93 (= N94), R123 (= R124), D321 (= D319), E349 (= E347), H399 (= H393), R400 (= R394), T426 (≠ V420)
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 (= K15), S24 (= S16), R28 (= R20), A95 (≠ G96), T96 (≠ S97), R123 (= R124), S168 (= S169), Q170 (= Q171), D321 (= D319), K348 (= K346), E349 (= E347), R352 (= R350), R400 (= R394)

2ggaA Cp4 epsp synthase liganded with s3p and glyphosate (see paper)
38% identity, 98% coverage: 11:434/434 of query aligns to 19:440/445 of 2ggaA

query
sites
2ggaA

L

I

P

P

P

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

A

S

A

F

L

M

I

F

G

G

S

G

L

L

S

A

E

S

G

G

V

E

T

T

E

R

I

I

T

T

N

G

F

L

S

L

A

E

G

G

F

E

D
|
D

N

V

Q

I

S

N

T

T

L

G

G

K

V

A

L

M

H

Q

D

-

A

-

G

-

I

-

E

-

V

-

S

-

Q

-

H

-

E

-

I

-

D

-

G

-

A

A

Y

M

G

G

R

A

R

R

I

I

R

R

K

K

-

E

-

G

-

D

-

T

V

W

I

I

S

D

S

G

R

V

G

G

L

N

W

G

S

G

F

L

T

L

A

A

P

P

E

E

K

A

P

P

L

L

M

D

C

F

N

G

N
|
N

S
x
A

G
x
A

S
x
T

T

G

M

C

R

R

M

L

F

T

A

M

G

G

I

L

L

V

A

G

A

V

Q

Y

P

D

F

F

E

D

S

S

E

T

L

F

V

I

G

G

D

D

S

A

S

S

L

L

M

T

K

K

R
|
R

P

P

M

M

K

G

R

R

V

V

A

L

D

N

P

P

L

L

R

R

Q

E

M

M

G

G

A

V

G

Q

V

V

D

K

L

S

S

E

P

D

A

G

G

D

T

R

A

L

P

P

V

V

R

T

I

L

R

R

G

G

T

P

R

K

D

T

L

P

T

T

P

P

L

I

E

T

Y

Y

R

R

L

V

P

P

V

M

P

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

L

A

V

V

T

L

F

L

A

A

A

G

L

L

H

N

A

T

D

P

G

G

E

I

T

T

R

T

I

V

I

I

E

E

S

P

I

I

R

M

S

T

R
|
R

N

D

H

H

T

T

E

E

L

K

M

M

L

L

-

Q

-

G

-

F

-

G

-

A

G

N

L

L

E

T

T

V

I

E

D

T

R

D

P

A

D

D

G

G

E

V

R

R

V

T

I

I

V

R

I

L

P

E

G

G

R

R

K

G

T

K

I

L

V

T

A

G

R

Q

S

V

F

I

Y

D

I

V

P

P

A

G

D

D

P

P

S

S

A

S

A

T

C

A

F

F

I

P

V

L

A

V

L

A

G

A

L

L

G

V

S

P

N

G

S

S

E

D

I

V

I

T

I

I

R

L

D

N

V

V

C

L

L

M

N

N

P

P

T

T

R

R

V

T

E

G

F

L

I

I

P

L

L

T

L

L

T

Q

G

E

A

M

G

G

A

A

D

D

I

I

T

E

I

V

E

I

N

N

S

P

R

R

I

L

I

A

G

G

E

E

T

D

I

V

G

A

D

D

I

L

L

R

V

V

R

R

S

S

T

S

R

-

T

T

L

L

K

K

P

G

L

V

V

T

I

V

S

P

N

E

P

D

T

R

V

A

V

P

A

S

G

-

V

M

I

I

D
|
D

E

E

L

Y

P

P

M

I

L

L

S

A

V

V

L

A

S

A

A

A

F

F

S

A

S

E

G

G

E

A

F

T

E

V

L

M

H

N

N

G

A

L

E

E

L

L

R

R

T

V

K
|
K

E
|
E

S

S

D

D

R
|
R

I

L

N

S

A

A

I

V

V

A

V

N

N

G

L

L

E

K

R

L

L

N

G

G

F

V

D

D

C

C

E

D

Q

E

Y

G

P

E

D

T

G

S

F

L

R

V

V

V

I

-

G

-

R

-

R

R

C

G

R

R

P

P

V

D

G

G

Q

K

-

G

-

L

-

G

-

N

-

A

-

S

-

G

V

A

T

A

V

V

A

A

C

T

F

H

D

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

S

F

F

A

L

V

V

A

M

A

G

R

L

A

V

T

S

G

E

E

N

G

P

I

V

A

T

L

V

S

D

D

D

S

A

D

T

V

M

V

I

G

A

V
x
T

S

S

F

F

P

P

N

E

F

F

F

M

E

D

I

L

I

M

E

A

N

G

L

L

K

G

A

A

active site: K23 (= K15), S24 (= S16), D50 (= D42), N93 (= N94), R123 (= R124), D321 (= D319), E349 (= E347), H399 (= H393), R400 (= R394), T426 (≠ V420)
binding glyphosate: K23 (= K15), A94 (≠ S95), A95 (≠ G96), T96 (≠ S97), R123 (= R124), D321 (= D319), E349 (= E347), R352 (= R350), R400 (= R394)
binding shikimate-3-phosphate: S24 (= S16), R28 (= R20), S168 (= S169), A169 (= A170), Q170 (= Q171), R195 (= R196), D321 (= D319), K348 (= K346)

2gg6A Cp4 epsp synthase liganded with s3p (see paper)
38% identity, 98% coverage: 11:434/434 of query aligns to 19:440/445 of 2gg6A

query
sites
2gg6A

L

I

P

P

P

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

A

S

A

F

L

M

I

F

G

G

S

G

L

L

S

A

E

S

G

G

V

E

T

T

E

R

I

I

T

T

N

G

F

L

S

L

A

E

G

G

F

E

D
|
D

N

V

Q

I

S

N

T

T

L

G

G

K

V

A

L

M

H

Q

D

-

A

-

G

-

I

-

E

-

V

-

S

-

Q

-

H

-

E

-

I

-

D

-

G

-

A

A

Y

M

G

G

R

A

R

R

I

I

R

R

K

K

-

E

-

G

-

D

-

T

V

W

I

I

S

D

S

G

R

V

G

G

L

N

W

G

S

G

F

L

T

L

A

A

P

P

E

E

K

A

P

P

L

L

M

D

C

F

N

G

N
|
N

S

A

G

A

S
x
T

T

G

M

C

R

R

M

L

F

T

A

M

G

G

I

L

L

V

A

G

A

V

Q

Y

P

D

F

F

E

D

S

S

E

T

L

F

V

I

G

G

D

D

S

A

S

S

L

L

M

T

K

K

R
|
R

P

P

M

M

K

G

R

R

V

V

A

L

D

N

P

P

L

L

R

R

Q

E

M

M

G

G

A

V

G

Q

V

V

D

K

L

S

S

E

P

D

A

G

G

D

T

R

A

L

P

P

V

V

R

T

I

L

R

R

G

G

T

P

R

K

D

T

L

P

T

T

P

P

L

I

E

T

Y

Y

R

R

L

V

P

P

V

M

P

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

L

A

V

V

T

L

F

L

A

A

A

G

L

L

H

N

A

T

D

P

G

G

E

I

T

T

R

T

I

V

I

I

E

E

S

P

I

I

R

M

S

T

R

R

N

D

H

H

T

T

E

E

L

K

M

M

L

L

-

Q

-

G

-

F

-

G

-

A

G

N

L

L

E

T

T

V

I

E

D

T

R

D

P

A

D

D

G

G

E

V

R

R

V

T

I

I

V

R

I

L

P

E

G

G

R

R

K

G

T

K

I

L

V

T

A

G

R

Q

S

V

F

I

Y

D

I

V

P

P

A

G

D

D

P

P

S

S

A

S

A

T

C

A

F

F

I

P

V

L

A

V

L

A

G

A

L

L

G

V

S

P

N

G

S

S

E

D

I

V

I

T

I

I

R

L

D

N

V

V

C

L

L

M

N

N

P

P

T

T

R

R

V

T

E

G

F

L

I

I

P

L

L

T

L

L

T

Q

G

E

A

M

G

G

A

A

D

D

I

I

T

E

I

V

E

I

N

N

S

P

R

R

I

L

I

A

G

G

E

E

T

D

I

V

G

A

D

D

I

L

L

R

V

V

R

R

S

S

T

S

R

-

T

T

L

L

K

K

P

G

L

V

V

T

I

V

S

P

N

E

P

D

T

R

V

A

V

P

A

S

G

-

V

M

I

I

D
|
D

E

E

L

Y

P

P

M

I

L

L

S

A

V

V

L

A

S

A

A

A

F

F

S

A

S

E

G

G

E

A

F

T

E

V

L

M

H

N

N

G

A

L

E

E

L

L

R

R

T

V

K
|
K

E
|
E

S

S

D

D

R

R

I

L

N

S

A

A

I

V

V

A

V

N

N

G

L

L

E

K

R

L

L

N

G

G

F

V

D

D

C

C

E

D

Q

E

Y

G

P

E

D

T

G

S

F

L

R

V

V

V

I

-

G

-

R

-

R

R

C

G

R

R

P

P

V

D

G

G

Q

K

-

G

-

L

-

G

-

N

-

A

-

S

-

G

V

A

T

A

V

V

A

A

C

T

F

H

D

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

S

F

F

A

L

V

V

A

M

A

G

R

L

A

V

T

S

G

E

E

N

G

P

I

V

A

T

L

V

S

D

D

D

S

A

D

T

V

M

V

I

G

A

V
x
T

S

S

F

F

P

P

N

E

F

F

F

M

E

D

I

L

I

M

E

A

N

G

L

L

K

G

A

A

active site: K23 (= K15), S24 (= S16), D50 (= D42), N93 (= N94), R123 (= R124), D321 (= D319), E349 (= E347), H399 (= H393), R400 (= R394), T426 (≠ V420)
binding shikimate-3-phosphate: S24 (= S16), R28 (= R20), T96 (≠ S97), S168 (= S169), Q170 (= Q171), D321 (= D319), K348 (= K346)

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)
35% identity, 97% coverage: 11:432/434 of query aligns to 16:424/427 of Q9S400

query
sites
Q9S400

L

V

P

P

P

G

D

D

K

K

S
|
S

I

I

S

S

H

H

R
|
R

A

S

A

I

L

I

I

F

G

G

S

S

L

L

S

A

E

E

G

G

V

E

T

T

E

K

I

V

T

Y

N

D

F

I

S

L

A

R

G

G

F

E

D

D

N

V

Q

L

S

S

T

T

L

M

G

Q

V

V

L

F

H

R

D

D

A

L

G

G

I

V

E

E

V

I

S

E

Q

D

H

K

E

-

I

-

D

D

G

G

A

V

Y

-

G

-

R

-

I

-

R

-

K

-

V

I

I

T

I

I

S

Q

S

G

R

V

G

G

L

M

W

A

S

G

F

L

T

K

A

A

P

P

E

Q

K

N

P

A

L

L

M

N

C

M

N

G

N

N

S

S

G

G

S

T

T

S

M

I

R

R

M

L

F

I

A

S

G

G

I

V

L

L

A

A

A

G

Q

A

P

D

F

F

E

E

S

V

E

E

L

M

V

F

G

G

D

D

S

D

S

S

L

L

M

S

K

K

R

R

P

P

M

M

K

D

R

R

V

V

A

T

D

L

P

P

L

L

R

K

Q

K

M

M

G

G

A

V

G

S

V

I

D

S

-

G

L

Q

S

T

P

E

A

R

G

D

T

L

A

P

P

P

V

L

R

R

I

L

R

K

G

G

T

T

R

K

D

N

L

L

T

R

P

P

L

I

E

H

Y

Y

R

E

L

L

P

P

V

I

P

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

L

A

V

L

T

M

F

F

A

A

L

L

H

Q

A

A

D

K

G

G

E

E

T

S

R

V

I

I

E

E

S

K

I

E

R

Y

S

T

R

R

N

N

H

H

T

T

E

E

L

D

M

M

L

L

-

K

-

Q

-

F

-

G

G

G

L

H

E

L

T

S

I

V

D

-

R

-

P

-

D

D

G

G

E

K

R

K

V

-

I

I

V

T

I

V

P

Q

G

G

R

P

K

Q

T

K

I

L

V

T

A

G

R

Q

S

K

F

V

Y

V

I

V

P

P

A

G

D

D

P

I

S

S

A

S

A

A

C

A

F

F

I

W

V

L

A

V

L

A

G

G

L

L

L

I

G

A

S

P

N

N

S

S

E

R

I

L

I

V

I

L

R

Q

D

N

V

V

C

G

L

I

N

N

P

E

T

T

R

R

V

T

E

G

F

I

I

I

P

D

L

V

L

I

T

R

G

A

A

M

G

G

A

G

D

K

I

L

T

E

I

I

E

T

N

E

S

I

R

D

I

P

I

V

G

A

G

K

E

S

T

A

I

-

G

-

D

-

I

T

L

L

V

I

R

V

S

E

T

S

R

S

T

D

L

L

K

K

P

G

L

T

V

E

I

I

S

G

N

G

P

-

T

A

V

L

V

I

A

P

G

R

V

L

I

I

D
|
D

E

E

L

L

P

P

M

I

L

I

S

A

V

L

L

L

S

A

A

T

F

Q

S

A

S

Q

G

G

E

V

F

T

E

V

L

I

H

K

N

D

A

A

E

E

L

L

R

K

T

V

K
|
K

E

E

S

T

D

D

R

R

I

I

N

Q

A

V

I

V

V

A

V

D

N

A

L

L

E

N

R

S

L

M

G

G

F

A

D

D

C

I

E

T

Q

P

Y

T

P

A

D

D

G

G

F

M

R

I

V

I

I

K

G

G

R

K

R

S

C

A

R

L

P

H

V

G

G

A

Q

R

V

V

T

N

V

-

A

-

C

T

F

F

D

G

D

D

H

H

R

R

I

I

A

G

M

M

S

M

F

T

A

A

V

I

A

A

R

L

A

L

T

V

G

A

E

D

G

G

-

E

I

V

A

E

L

L

S

D

D

R

S

A

D

E

V

A

V

I

G

N

V

T

S

S

F

Y

P

P

N

S

F

F

E

D

I

D

I

L

E

E

N

S

L

L

S21 (= S16) binding 3-phosphoshikimate
R25 (= R20) binding 3-phosphoshikimate
S166 (= S169) binding 3-phosphoshikimate
A167 (= A170) binding 3-phosphoshikimate
Q168 (= Q171) binding 3-phosphoshikimate
D312 (= D319) binding 3-phosphoshikimate
K339 (= K346) binding 3-phosphoshikimate

1rf6A Structural studies of streptococcus pneumoniae epsp synthase in s3p- glp bound state (see paper)
34% identity, 97% coverage: 11:432/434 of query aligns to 16:424/427 of 1rf6A

query
sites
1rf6A

L

V

P

P

P

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

A

S

A

I

L

I

I

F

G

G

S

S

L

L

S

A

E

E

G

G

V

E

T

T

E

K

I

V

T

Y

N

D

F

I

S

L

A

R

G

G

F

E

D
|
D

N

V

Q

L

S

S

T

T

L

M

G

Q

V

V

L

F

H

R

D

D

A

L

G

G

I

V

E

E

V

I

S

E

Q

D

H

K

E

-

I

-

D

D

G

G

A

V

Y

-

G

-

R

-

I

-

R

-

K

-

V

I

I

T

I

V

S

Q

S

G

R

V

G

G

L

M

W

A

S

G

F

L

T

K

A

A

P

P

E

Q

K

N

P

A

L

L

M

N

C

M

N

G

N
|
N

S

S

G
|
G

S
x
T

T

S

M

I

R

R

M

L

F

I

A

S

G

G

I

V

L

L

A

A

A

G

Q

A

P

D

F

F

E

E

S

V

E

E

L

M

V

F

G

G

D

D

S
x
D

S

S

L

L

M

S

K

K

R
|
R

P

P

M

M

K

D

R

R

V

V

A

T

D

L

P

P

L

L

R

K

Q

K

M

M

G

G

A

V

G

S

V

I

D

S

-

G

L

Q

S

T

P

E

A

R

G

D

T

L

A

P

P

P

V

L

R

R

I

L

R

K

G

G

T

T

R

K

D

N

L

L

T

R

P

P

L

I

E

H

Y

Y

R

E

L

L

P

P

V

I

P

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

L

A

V

L

T

M

F

F

A

A

L

L

H

Q

A

A

D

K

G

G

E

E

T

S

R

V

I

I

E

E

S

K

I

E

R

Y

S

T

R
|
R

N

N

H

H

T

T

E

E

L

D

M

M

L

L

-

Q

-

F

-

G

G

G

L

H

E

L

T

S

I

V

D

-

R

-

P

-

D

D

G

G

E

K

R

K

V

-

I

I

V

T

I

V

P

Q

G

G

R

P

K

Q

T

K

I

L

V

T

A

G

R

Q

S

K

F

V

Y

V

I

V

P

P

A

G

D

D

P

I

S

S

A

S

A

A

C

A

F

F

I

W

V

L

A

V

L

A

G

G

L

L

L

I

G

A

S

P

N

N

S

S

E

R

I

L

I

V

I

L

R

Q

D

N

V

V

C

G

L

I

N

N

P

E

T

T

R

R

V

T

E

G

F

I

I

I

P

D

L

V

L

I

T

R

G

A

A

M

G

G

-

G

-

K

-

L

-

E

-

I

-

T

-

E

-

I

-

D

-

P

-

V

-

A

-

K

-

S

A

A

D

T

I

L

T

I

I

V

E

E

N

S

S

S

R

D

I

L

I

K

G

G

G

T

E

E

T

I

I

C

G

G

D

A

I

L

L

I

V

P

R

R

S

-

T

-

R

-

T

-

L

-

K

-

P

-

L

-

V

-

I

-

S

-

N

-

P

-

T

-

V

-

A

-

G

-

V

L

I
|
I

D
|
D

E

E

L

L

P

P

M

I

L

I

S

A

V

L

L

L

S

A

A

T

F

Q

S

A

S

Q

G

G

E

V

F

T

E

V

L

I

H

K

N

D

A

A

E

E

L

L

R

K

T

V

K
|
K

E
|
E

S

T

D

D

R
|
R

I

I

N

Q

A

V

I

V

V

A

V

D

N

A

L

L

E

N

R

S

L

M

G

G

F

A

D

D

C

I

E

T

Q

P

Y

T

P

A

D

D

G

G

F

M

R

I

V

I

I

K

G

G

R

K

R

S

C

A

R

L

P

H

V

G

G

A

Q

R

V

V

T

N

V

-

A

-

C

T

F

F

D

G

D

D

H
|
H

R
|
R

I

I

A

G

M

M

S

M

F

T

A

A

V

I

A

A

R

L

A

L

T

V

G

A

E

D

G

G

-

E

I

V

A

E

L

L

S

D

D

R

S

A

D

E

V

A

V

I

G

N

V
x
T

S

S

F

Y

P

P

N

S

F

F

E

D

I

D

I

L

E

E

N

S

L

L

active site: K20 (= K15), S21 (= S16), D47 (= D42), N90 (= N94), D115 (≠ S119), R120 (= R124), D312 (= D319), E340 (= E347), H384 (= H393), R385 (= R394), T412 (≠ V420)
binding glyphosate: K20 (= K15), G92 (= G96), T93 (≠ S97), R120 (= R124), Q168 (= Q171), D312 (= D319), E340 (= E347), R343 (= R350), H384 (= H393), R385 (= R394)
binding shikimate-3-phosphate: S21 (= S16), R25 (= R20), S166 (= S169), Q168 (= Q171), R193 (= R196), I311 (= I318), D312 (= D319), K339 (= K346)

1rf4A Structural studies of streptococcus pneumoniae epsp synthase, tetrahedral intermediate bound state (see paper)
34% identity, 97% coverage: 11:432/434 of query aligns to 16:424/427 of 1rf4A

query
sites
1rf4A

L

V

P

P

P

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

A

S

A

I

L

I

I

F

G

G

S

S

L

L

S

A

E

E

G

G

V

E

T

T

E

K

I

V

T

Y

N

D

F

I

S

L

A

R

G

G

F

E

D
|
D

N

V

Q

L

S

S

T

T

L

M

G

Q

V

V

L

F

H

R

D

D

A

L

G

G

I

V

E

E

V

I

S

E

Q

D

H

K

E

-

I

-

D

D

G

G

A

V

Y

-

G

-

R

-

I

-

R

-

K

-

V

I

I

T

I

V

S

Q

S

G

R

V

G

G

L

M

W

A

S

G

F

L

T

K

A

A

P

P

E

Q

K

N

P

A

L

L

M

N

C

M

N

G

N
|
N

S

S

G
|
G

S
x
T

T

S

M

I

R

R

M

L

F

I

A

S

G

G

I

V

L

L

A

A

A

G

Q

A

P

D

F

F

E

E

S

V

E

E

L

M

V

F

G

G

D

D

S
x
D

S

S

L

L

M

S

K

K

R
|
R

P

P

M

M

K

D

R

R

V

V

A

T

D

L

P

P

L

L

R

K

Q

K

M

M

G

G

A

V

G

S

V

I

D

S

-

G

L

Q

S

T

P

E

A

R

G

D

T

L

A

P

P

P

V

L

R

R

I

L

R

K

G

G

T

T

R

K

D

N

L

L

T

R

P

P

L

I

E

H

Y

Y

R

E

L

L

P

P

V

I

P

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

L

A

V

L

T

M

F

F

A

A

L

L

H

Q

A

A

D

K

G

G

E

E

T

S

R

V

I

I

E

E

S

K

I

E

R

Y

S

T

R
|
R

N

N

H

H

T

T

E

E

L

D

M

M

L

L

-

Q

-

F

-

G

G

G

L

H

E

L

T

S

I

V

D

-

R

-

P

-

D

D

G

G

E

K

R

K

V

-

I

I

V

T

I

V

P

Q

G

G

R

P

K

Q

T

K

I

L

V

T

A

G

R

Q

S

K

F

V

Y

V

I

V

P

P

A

G

D

D

P

I

S

S

A

S

A

A

C

A

F

F

I

W

V

L

A

V

L

A

G

G

L

L

L

I

G

A

S

P

N

N

S

S

E

R

I

L

I

V

I

L

R

Q

D

N

V

V

C

G

L

I

N

N

P

E

T

T

R

R

V

T

E

G

F

I

I

I

P

D

L

V

L

I

T

R

G

A

A

M

G

G

-

G

-

K

-

L

-

E

-

I

-

T

-

E

-

I

-

D

-

P

-

V

-

A

-

K

-

S

A

A

D

T

I

L

T

I

I

V

E

E

N

S

S

S

R

D

I

L

I

K

G

G

G

T

E

E

T

I

I

C

G

G

D

A

I

L

L

I

V

P

R

R

S

-

T

-

R

-

T

-

L

-

K

-

P

-

L

-

V

-

I

-

S

-

N

-

P

-

T

-

V

-

A

-

G

-

V

L

I

I

D
|
D

E

E

L

L

P

P

M

I

L

I

S

A

V

L

L

L

S

A

A

T

F

Q

S

A

S

Q

G

G

E

V

F

T

E

V

L

I

H

K

N

D

A

A

E

E

L

L

R

K

T

V

K
|
K

E
|
E

S

T

D

D

R
|
R

I

I

N

Q

A

V

I

V

V

A

V

D

N

A

L

L

E

N

R

S

L

M

G

G

F

A

D

D

C

I

E

T

Q

P

Y

T

P

A

D

D

G

G

F

M

R

I

V

I

I

K

G

G

R

K

R

S

C

A

R

L

P

H

V

G

G

A

Q

R

V

V

T

N

V

-

A

-

C

T

F

F

D

G

D

D

H
|
H

R
|
R

I

I

A

G

M

M

S

M

F

T

A

A

V

I

A

A

R

L

A

L

T

V

G

A

E

D

G

G

-

E

I

V

A

E

L

L

S

D

D

R

S

A

D

E

V

A

V

I

G

N

V
x
T

S

S

F

Y

P

P

N

S

F

F

E

D

I

D

I

L

E

E

N

S

L

L

active site: K20 (= K15), S21 (= S16), D47 (= D42), N90 (= N94), D115 (≠ S119), R120 (= R124), D312 (= D319), E340 (= E347), H384 (= H393), R385 (= R394), T412 (≠ V420)
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 (= K15), S21 (= S16), R25 (= R20), G92 (= G96), T93 (≠ S97), R120 (= R124), S166 (= S169), A167 (= A170), Q168 (= Q171), R193 (= R196), D312 (= D319), K339 (= K346), E340 (= E347), R343 (= R350), H384 (= H393), R385 (= R394)

P11043 3-phosphoshikimate 1-carboxyvinyltransferase, chloroplastic; 5-enolpyruvylshikimate-3-phosphate synthase; EPSP synthase; EC 2.5.1.19 from Petunia hybrida (Petunia) (see paper)
27% identity, 97% coverage: 11:431/434 of query aligns to 91:512/516 of P11043

query
sites
P11043

L

L

P

P

P

G

D

S

K

K

S

S

I

L

S

S

H

N

R

R

A

I

A

L

L

L

I

L

G

A

S

A

L

L

S

S

E

E

G

G

V

T

T

T

E

V

I

V

T

D

N

N

F

L

S

L

A

S

G

S

F

D

D

D

N

I

Q

H

S

Y

T

M

L

L

G

G

V

A

L

L

H

K

D

T

A

L

G

G

I

L

E

H

V

V

S

E

Q

E

H

D

E

S

I

A

D

N

G

Q

A

-

Y

-

G

-

R

-

I

-

R

R

K

A

V

V

I

V

I

E

S

G

S

C

R

G

G

G

L

L

W

F

S

P

F

V

-

G

-

K

-

E

T

S

A

K

P

E

E

E

K

I

P

Q

L

L

M

F

C

L

N

G

N

N

S

A

G
|
G

S

T

T

A

M

M

R

R

M

P

F

L

A

T

G

A

I

A

L

V

A

T

A

V

Q

A

P

G

F

G

E

N

S

S

E

R

L

Y

V

V

G

L

D

D

S

G

-

V

-

P

S

R

L

M

M

R

K

E

R

R

P

P

M

I

K

S

R

D

V

L

A

V

D

D

P

G

L

L

R

K

Q

Q

M

L

G

G

A

A

G

E

V

V

D

D

L

C

S

F

P

-

A

L

G

G

T

T

A

K

-

C

-

P

P

P

V

V

R

R

I

I

R

V

G

S

T

K

R

G

D

G

L

L

T

P

P

G

L

G

E

K

Y

V

R

K

L

L

P

S

V

G

P

S

-

I

S

S

A

S

Q

Q

V

Y

K

L

S

T

L

A

V

L

T

L

F

M

A

A

L

P

H

L

A

A

D

L

G

G

-

D

-

V

E

E

T

I

R

E

I

I

E

D

S

K

I

L

R

I

S

S

R

V

N

P

H

Y

T

V

E

E

L

M

M

T

L

L

-

K

-

L

-

M

-

E

-

R

-

F

G

G

L

I

E

S

T

V

I

E

D

H

R

S

P

S

D

S

G

W

E

D

R

R

V

F

I

F

V

V

I

R

P

G

G

G

R

Q

K

K

T

Y

I

K

V

S

A

P

R

G

S

K

F

A

Y

F

I

V

P

E

A

G

D

D

P

A

S

S

A

S

A

A

C

S

F

Y

I

F

V

L

A

A

L

-

G

G

L

A

G

V

S

T

N

G

S

G

E

T

I

I

I

T

I

V

R

E

D

G

V

C

C

G

L

T

N

N

P

S

T

L

R

Q

-

G

-

D

V

V

E

K

F

F

I

A

P

E

L

V

L

L

T

E

G

K

A

M

G

G

A

A

D

E

I

V

T

T

-

W

I

T

E

E

N

N

S

S

R

V

I

T

I

V

G

K

G

G

E

P

T

P

I

R

G

S

D

S

I

S

L

G

V

R

R

K

S

H

T

L

R

R

T

A

L

I

K

D

P

V

L

N

V

M

I

N

S

K

N

M

P

P

T

D

V

V

V

A

A

M

G

-

V

-

I

-

D

-

E

-

L

-

P

-

M

T

L

L

S

A

V

V

L

V

S

A

A

L

F

Y

S

A

S

D

G

G

E

P

F

T

E

A

L

I

H

R

N

D

A

V

E

A

E

S

L

W

R

R

T

V

K

K

E

E

S

T

D

E

R

R

I

M

N

I

A

A

I

I

V

C

V

T

N

E

L

L

E

R

R

K

L

L

G

G

F

A

D

T

C

V

E

E

Q

E

Y

G

P

P

D

D

G

-

F

-

R

Y

V

C

I

I

G

I

R

T

R

P

C

P

R

E

P

K

V

L

G

N

Q

V

V

T

T

D

V

I

A

D

C

T

F

Y

D

D

H

H

R

R

I

M

A

A

M

M

S

A

F

F

A

S

V

L

A

A

R

C

A

A

T

D

G

V

E

P

G

-

I

V

A

T

L

I

S

N

D

D

S

P

D

G

V

C

V

T

G

R

V

K

S

T

F

F

P

P

N

N

F

Y

F

F

E

D

I

V

I

L

E

Q

N

Q

G173 (= G96) 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
25% identity, 96% coverage: 11:427/434 of query aligns to 17:417/426 of 7tm6A

query
sites
7tm6A

L

L

P

P

P

G

D

S

K
|
K

S
|
S

I

V

S

S

H

N

R
|
R

A

A

A

L

L

L

I

L

G

A

S

A

L

L

S

A

E

R

G

G

V

T

T

T

E

V

I

L

T

T

N

N

F

L

S

L

A

D

G

S

F

D

D

D

N

V

Q

R

S

H

T

M

L

L

G

N

V

A

L

L

H

S

D

A

A

L

G

G

I

V

E

Q

V

Y

S

T

Q

L

H

S

E

-

I

-

D

-

G

-

A

-

Y

-

G

A

R

D

R

R

I

T

R

R

K

C

V

E

I

V

I

T

S

G

S

N

R

G

G

G

-

P

L

L

W

R

S

S

F

A

T

A

A

A

P

L

E

E

K

-

P

-

L

L

M

F

C

L

N

G

N

N

S

A

G
|
G

S
x
T

T

A

M

M

R

R

M

P

F

L

A

A

G

A

I

A

L

L

A

C

A

L

Q

G

P

S

F

N

E

D

S

I

E

V

L

L

V

T

G

G

D

E

S

P

S

R

L

M

M

K

K

E

R
|
R

P

P

M

I

K

G

R

H

V

L

A

V

D

D

P

A

L

L

R

R

Q

Q

M

G

G

G

A

A

G

Q

V

I

D

D

-

C

L

L

S

E

P

Q

A

E

G

N

T

Y

A

P

P

P

V

L

R

R

I

L

R

R

G

G

T

G

R

F

D

Q

L

G

T

G

P

N

L

V

E

E

Y

V

R

D

L

G

P

S

V

V

P
x
S

S
|
S

A
x
Q

Q

F

V

L

K

T

S

A

L

L

V

L

T

M

F

T

A

A

A

P

L

L

H

A

A

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Q

G

D

E

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R

I

I

V

I

I

E

K

-

G

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S

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x
Y

T

I

E

D

L

I

M

T

L

L

G

H

L

L

E

M

T

K

-

T

-

F

-

G

-

V

-

E

I

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D

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Y

E

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R

R

V

F

I

V

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V

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R

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G

G

K

R

Q

K

Q

T

Y

I

Q

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A

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G

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D

F

Y

Y

L

I

V

P

E

A

G

D

D

P

A

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S

A

S

A

A

C

S

F

Y

I

F

V

L

A

A

L

A

G

G

L

A

L

I

G

K

S

G

N

G

S

T

E

-

I

V

I

K

I

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R

T

D

G

V

I

C

G

L

R

N

N

P

S

T

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R

Q

-

G

-

D

V

I

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F

F

I

A

P

D

L

V

L

L

T

E

G

K

A

M

G

G

A

A

D

T

I

V

T

-

I

-

E

-

N

-

S

-

R

-

I

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G

-

E

-

T

T

I

W

G

G

D

D

I

D

L

F

V

I

R

A

S

C

T

T

R

H

-

G

T

E

L

L

K

K

P

A

L

V

V

D

I

M

S

D

N

-

P

-

T

-

V

-

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M

A

N

G

H

V

I

I

P

D
|
D

E

A

L

A

P

M

M

T

L

I

S

A

V

T

L

A

S

A

A

L

F

F

S

A

S

Q

G

G

E

T

F

T

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T

L

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R

N

N

A

I

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E
x
N

L

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|
K

E
|
E

S

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D

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|
R

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A

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M

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E

L

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K

L

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G

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Q

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G

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G

Y

F

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V

I

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C

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R

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P

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A

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K

V

L

T

K

V

Y

A

A

-

E

-

I

-

G

C

T

F

Y

D

N

D

D

H
|
H

R
|
R

I

M

A

A

M

M

S

C

F

F

A

S

V

L

A

V

A

A

R

-

A

L

T

S

G

D

E

T

G

P

I

V

A

T

L

I

S

L

D

D

S

P

D

K

V

C

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G

A

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F

F

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P

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D

F

Y

F

F

E

E

binding glyphosate: K21 (= K15), G95 (= G96), R123 (= R124), Q170 (≠ A170), D312 (= D319), E340 (= E347), R343 (= R350), H384 (= H393), R385 (= R394)
binding shikimate-3-phosphate: S22 (= S16), R26 (= R20), T96 (≠ S97), S168 (≠ P168), S169 (= S169), Q170 (≠ A170), S196 (= S195), Y199 (≠ H198), D312 (= D319), N335 (≠ E342), K339 (= K346)

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
24% identity, 99% coverage: 3:432/434 of query aligns to 11:424/426 of 3nvsA

query
sites
3nvsA

V

L

F

I

K

S

G

G

E

E

V

V

T

N

A

-

L

L

P

P

P

G

D

S

K
|
K

S
|
S

I

V

S

S

H

N

R
|
R

A

A

A

L

L

L

I

L

G

A

S

A

L

L

S

A

E

S

G

G

V

T

T

T

E

R

I

L

T

T

N

N

F

L

S

L

A

D

G

S

F

D

D
|
D

N

I

Q

R

S

H

T

M

L

L

G

N

V

A

L

L

H

T

D

K

A

L

G

G

I

V

E

N

V

-

S

-

Q

-

H

-

E

-

I

-

D

-

G

-

A

-

Y

Y

G

R

R

L

R

S

I

A

R

D

K

K

V

T

I

T

I

C

S

E

S

V

R

E

G

G

L

L

W

G

S

Q

F

A

T

F

A

H

P

T

E

T

K

Q

P

P

-

L

-

E

L

L

M

F

C

L

N

G

N
|
N

S

A

G
|
G

S
x
T

T

A

M

M

R

R

M

P

F

L

A

A

G

A

I

A

L

L

A

C

A

L

Q

G

P

Q

F

G

E

D

S

Y

E

V

L

L

V

T

G

G

D

E

S
x
P

S

R

L

M

M

K

K
x
E

R
|
R

P

P

M

I

K

G

R
x
H

V

L

A

V

D

D

P

A

L

L

R

R

Q
|
Q

M

A

G

G

A

A

G

Q

V

I

D

E

-
x
Y

L

L

S
x
E

P
x
Q

A

E

G

N

T

F

A

P

P

P

V

L

R

R

I

I

R

Q

G

G

T

T

R

G

D

L

L

Q

T

A

P

G

L

T

E

V

Y

T

R

I

L

D

P

G

V

S

P

I

S
|
S

A
x
S

Q
|
Q

V

F

K

L

S

T

L

A

V

F

T

L

F

M

A

S

A

A

L

P

H

L

A

A

D

Q

G

G

E

K

T

V

-

T

-

I

R

K

I

I

I

V

E

G

S

E

I

L

R

V

S
|
S

R

K

N

P

H
x
Y

T

I

E

D

L

I

M

T

L

L

-

H

-

I

-

M

-

E

-

Q

-

F

G

G

L

V

E

Q

T

V

I

I

D

N

R

H

P

-

D

D

G

Y

E

Q

R

E

V

F

I

V

V

I

I

P

P

A

G

G

R

Q

K

S

T

Y

I

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V

S

A

P

R

G

S

Q

F

F

Y

L

I

V

P

E

A

G

D

D

P

A

S

S

A

S

A
|
A

C

S

F

Y

I

F

V

L

A

A

L

A

G

A

L
x
A

L

I

G

-

S

K

N

G

S

G

E

E

I

V

I

K

I

V

R

T

D

G

V

I

C

G

L

K

N

N

P

S

T

I

R

Q

-

G

-

D

V

I

E

Q

F

F

I

A

P

D

L

A

L

L

T

E

G

K

A

M

G

G

A

A

D

Q

I

I

T

E

I

W

E

G

N

D

S

D

R

Y

I

V

I

I

G

A

G

-

E

-

T

-

I

-

G

-

D

-

I

-

L

-

V

R

R

R

S

G

T

E

R

L

T

N

L

A

K

V

P

D

L

L

V

D

I

F

S

N

N

H

P

-

T

-

V

-

A

-

G

-

V

I

I

P

D
|
D

E

A

L

A

P

M

M

T

L

I

S

A

V

T

L

T

S

A

A

L

F

F

S

A

S

K

G

G

E

T

F

T

E

A

L

I

H

R

N

N

A

V

E

Y

E
x
N

L

W

R

R

T

V

K
|
K

E
|
E

S

T

D

D

R
|
R

I

L

N

A

A

A

I

M

V

A

V

T

N

E

L

L

E

R

R

K

L

V

G

G

F

A

D

T

C

V

E

E

Q

E

Y

G

P

E

D

D

G

-

F

F

R

I

V

V

I

I

G

T

R

P

C

T

R

K

P

L

V

I

G

-

Q

H

V

A

T

A

V

I

A

D

C

T

F

Y

D

D

H
|
H

R
|
R

I

M

A

A

M

M

S

C

F

F

A

S

V

L

A

V

A

A

R

-

A

L

T

S

G

D

E

T

G

P

I

V

A

T

L

I

S

N

D

D

S

P

D

K

V

C

V

T

G

S

V
x
K

S

T

F

F

P

P

N

D

F

Y

F

F

E

D

I

K

I

F

E

A

N

Q

L

L

active site: K22 (= K15), S23 (= S16), D49 (= D42), N94 (= N94), P119 (≠ S119), R124 (= R124), H128 (≠ R128), Q135 (= Q135), Y142 (vs. gap), E144 (≠ S143), A247 (= A239), A255 (≠ L247), D314 (= D319), E342 (= E347), H386 (= H393), R387 (= R394), K412 (≠ V420)
binding glyphosate: K22 (= K15), G96 (= G96), R124 (= R124), Q172 (= Q171), D314 (= D319), E342 (= E347), R345 (= R350), H386 (= H393), R387 (= R394)
binding magnesium ion: E123 (≠ K123), Q145 (≠ P144)
binding shikimate-3-phosphate: K22 (= K15), S23 (= S16), R27 (= R20), T97 (≠ S97), S170 (= S169), S171 (≠ A170), Q172 (= Q171), S198 (= S195), Y201 (≠ H198), D314 (= D319), N337 (≠ E342), K341 (= K346)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S23 (= S16), R27 (= R20), Q172 (= Q171), Y201 (≠ H198), D314 (= D319), K341 (= K346)

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)
24% identity, 99% coverage: 3:432/434 of query aligns to 11:424/426 of Q9KRB0

query
sites
Q9KRB0

V

L

F

I

K

S

G

G

E

E

V

V

T

N

A

-

L

L

P

P

P

G

D

S

K
|
K

S
|
S

I

V

S

S

H

N

R
|
R

A

A

A

L

L

L

I

L

G

A

S

A

L

L

S

A

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S

G

G

V

T

T

T

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R

I

L

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N

N

F

L

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L

A

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D

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A

L

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|
S

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S

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|
S

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L

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|
D

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M

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F

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A

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K

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G

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F

T

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A

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N

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N

L

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|
K

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D

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N

A

A

A

I

M

V

A

V

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N

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L

L

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R

K

L

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G

G

F

A

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D

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F

F

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V

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P

L

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I

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-

Q

H

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A

T

A

V

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A

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C

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F

Y

D

D

H

H

R

R

I

M

A

A

M

M

S

C

F

F

A

S

V

L

A

V

A

A

R

-

A

L

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D

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P

I

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A

T

L

I

S

N

D

D

S

P

D

K

V

C

V

T

G

S

V

K

S

T

F

F

P

P

N

D

F

Y

F

F

E

D

I

K

I

F

E

A

N

Q

L

L

K22 (= K15) binding 3-phosphoshikimate
S23 (= S16) binding 3-phosphoshikimate
R27 (= R20) binding 3-phosphoshikimate
S170 (= S169) binding 3-phosphoshikimate
S171 (≠ A170) binding 3-phosphoshikimate
S198 (= S195) binding 3-phosphoshikimate
D314 (= D319) binding 3-phosphoshikimate
N337 (≠ E342) binding 3-phosphoshikimate
K341 (= K346) binding 3-phosphoshikimate

7tm5B Crystal structure of shikimate-3-phosphate bound 3-phosphoshikimate 1- carboxyvinyltransferase from klebsiella pneumoniae
25% identity, 96% coverage: 11:427/434 of query aligns to 18:418/427 of 7tm5B

query
sites
7tm5B

L

L

P

P

P

G

D

S

K
|
K

S
|
S

I

V

S

S

H

N

R
|
R

A

A

A

L

L

L

I

L

G

A

S

A

L

L

S

A

E

R

G

G

V

T

T

T

E

V

I

L

T

T

N

N

F

L

S

L

A

D

G

S

F

D

D

D

N

V

Q

R

S

H

T

M

L

L

G

N

V

A

L

L

H

S

D

A

A

L

G

G

I

V

E

Q

V

Y

S

T

Q

L

H

S

E

-

I

-

D

-

G

-

A

-

Y

-

G

A

R

D

R

R

I

T

R

R

K

C

V

E

I

V

I

T

S

G

S

N

R

G

G

G

-

P

L

L

W

R

S

S

F

A

T

A

A

A

P

L

E

E

K

-

P

-

L

L

M

F

C

L

N

G

N

N

S

A

G

G

S

T

T

A

M

M

R

R

M

P

F

L

A

A

G

A

I

A

L

L

A

C

A

L

Q

G

P

S

F

N

E

D

S

I

E

V

L

L

V

T

G

G

D

E

S

P

S

R

L

M

M

K

K

E

R

R

P

P

M

I

K

G

R

H

V

L

A

V

D

D

P

A

L

L

R

R

Q

Q

M

G

G

G

A

A

G

Q

V

I

D

D

-

C

L

L

S

E

P

Q

A

E

G

N

T

Y

A

P

P

P

V

L

R

R

I

L

R

R

G

G

T

G

R

F

D

Q

L

G

T

G

P

N

L

V

E

E

Y

V

R

D

L

G

P

S

V

V

P
x
S

S
|
S

A
x
Q

Q

F

V

L

K

T

S

A

L

L

V

L

T

M

F

T

A

A

A

P

L

L

H

A

A

P

D

Q

G

D

E

T

T

V

R

I

I

V

I

I

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K

-

G

S

D

I

L

R

V

S
|
S

R

K

N

P

H
x
Y

T

I

E

D

L

I

M

T

L

L

G

H

L

L

E

M

T

K

-

T

-

F

-

G

-

V

-

E

I

V

D

D

R

N

P

Q

D

S

G

Y

E

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R

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F

I

V

V

V

I

R

P

G

G

K

R

Q

K

Q

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Y

I

Q

V

S

A

P

R

G

S

D

F

Y

Y

L

I

V

P

E

A

G

D

D

P

A

S

S

A

S

A

A

C

S

F

Y

I

F

V

L

A

A

L

A

G

G

L

A

L

I

G

K

S

G

N

G

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I

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I

K

I

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D

G

V

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C

G

L

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N

N

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T

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Q

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G

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D

V

I

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F

F

I

A

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L

V

L

L

T

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G

K

A

M

G

G

A

A

D

T

I

V

T

-

I

-

E

-

N

-

S

-

R

-

I

-

G

-

E

-

T

T

I

W

G

G

D

D

I

D

L

F

V

I

R

A

S

C

T

T

R

H

-

G

T

E

L

L

K

K

P

A

L

V

V

D

I

M

S

D

N

-

P

-

T

-

V

-

V

M

A

N

G

H

V

I

I

P

D
|
D

E

A

L

A

P

M

M

T

L

I

S

A

V

T

L

A

S

A

A

L

F

F

S

A

S

Q

G

G

E

T

F

T

E

T

L

L

H

R

N

N

A

I

E

Y

E
x
N

L

W

R

R

T

V

K
|
K

E

E

S

T

D

D

R

R

I

L

N

F

A

A

I

M

V

A

V

T

N

E

L

L

E

R

R

K

L

V

G

G

F

A

D

E

C

V

E

E

Q

E

Y

G

P

E

D

D

G

Y

F

I

R

R

V

I

I

T

G

-

R

-

C

-

R

-

P

P

V

P

G

A

Q

K

V

L

T

K

V

Y

A

A

-

E

-

I

-

G

C

T

F

Y

D

N

D

D

H

H

R

R

I

M

A

A

M

M

S

C

F

F

A

S

V

L

A

V

A

A

R

-

A

L

T

S

G

D

E

T

G

P

I

V

A

T

L

I

S

L

D

D

S

P

D

K

V

C

V

T

G

A

V

K

S

T

F

F

P

P

N

D

F

Y

F

F

E

E

binding shikimate-3-phosphate: K22 (= K15), S23 (= S16), R27 (= R20), S169 (≠ P168), S170 (= S169), Q171 (≠ A170), S197 (= S195), Y200 (≠ H198), D313 (= D319), N336 (≠ E342), K340 (= K346)

P07547 Pentafunctional AROM polypeptide; EC 4.2.3.4; EC 2.5.1.19; EC 2.7.1.71; EC 4.2.1.10; EC 1.1.1.25 from Emericella nidulans (strain FGSC A4 / ATCC 38163 / CBS 112.46 / NRRL 194 / M139) (Aspergillus nidulans) (see 2 papers)
24% identity, 98% coverage: 8:432/434 of query aligns to 408:839/1583 of P07547

query
sites
P07547

V

I

T

C

A

A

L

P

P

P

P

G

D

S

K

K

S

S

I

I

S

S

H

N

R

R

A

A

A

L

L

V

I

L

G

A

S

A

L

L

S

G

E

S

G

G

V

T

T

C

E

R

I

I

T

K

N

N

F

L

S

L

A

H

G

S

F

D

D

D

N

T

Q

E

S

V

T

M

L

L

G

N

V

A

L

L

H

E

D

R

A

L

G

G

I

A

E

A

V

T

S

F

Q

S

H

W

E

E

I

E

D

E

G

G

A

E

Y

V

G

-

R

-

I

-

R

-

K

-

V

L

I

V

S

N

S

G

R

K

G

G

L

-

W

G

S

N

F

L

T

Q

A

A

P

S

E

S

K

S

P

P

L

L

M

Y

C

L

N

G

N

N

S

A

G

G

S

T

T

A

M

S

R

R

M

F

F

L

A

T

G

T

I

V

L

A

-

T

-

L

-

A

-

N

A

S

Q

T

P

V

F

D

E

S

S

S

E

V

L

L

V

T

G

G

D

N

S

N

S

R

L

M

M

K

K

Q

R

R

P

P

M

I

K

G

R

D

V

L

A

V

D

D

P

A

L

L

R

T

Q

A

M

N

G

G

A

A

G

S

V

I

D

E

-

Y

L

V

S

E

P

R

A

T

G

G

T

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A

L

P

P

V

L

R

K

I

I

R

A

G

A

T

S

R

G

D

G

L

F

T

A

P

G

L

G

E

N

Y

I

R

N

L

L

-

A

P

K

V

V

P

S

S

S

A

Q

Q

Y

V

V

K

S

S

S

L

L

V

L

T

M

F

C

A

A

A

P

L

Y

H

A

A

K

D

E

G

P

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V

T

T

-

L

-

R

-

L

-

V

-

G

R

K

I

P

I

I

E

S

S

Q

I

P

R

Y

S

I

R

D

N

M

H

T

T

T

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A

L

M

M

M

-

R

-

S

L

F

G

G

L

I

E

D

T

V

I

Q

D

K

R

S

P

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D

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G

E

E

E

R

H

V

T

I

Y

V

H

I

I

P

P

G

Q

R

G

K

R

T

Y

I

V

V

N

A

P

R

A

S

E

F

Y

Y

V

I

I

P

E

A

S

D

D

P

A

S

S

A

S

A

A

C

T

F

Y

I

P

V

L

A

A

L

V

G

A

L

A

L

V

G

T

S

G

N

T

S

T

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C

I

T

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-

P

-

N

I

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R

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D

S

V

A

C

S

L

L

N

Q

P

G

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D

R

A

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F

F

A

I

V

P

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L

V

L

L

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A

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G

G

A

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D

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Q

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N

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S

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T

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G

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G

G

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I

-

L

-

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-

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-

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-

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I

L

L

K

R

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P

L

L

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-

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-

N

-

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A

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V

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L

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A

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C

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-

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R

N

R

L

C

R

R

Q

P

P

V

V

G

G

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G

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V

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F

V

-

A

-

C

C

F

Y

D

D

H

H

R

R

I

V

A

A

M

F

S

S

F

F

A

S

V

V

A

L

A

S

R

L

A

V

T

T

G

P

E

Q

G

P

I

T

A

L

L

I

S

L

D

E

S

K

D

E

V

C

V

V

G

G

V

K

S

T

F

W

P

P

N

G

F

W

E

D

I

T

I

L

E

R

N

Q

L

L

Sites not aligning to the query:

44:46 binding NAD(+)
81:84 binding NAD(+)
114:116 binding NAD(+)
119 binding NAD(+)
139:140 binding NAD(+)
161 binding NAD(+)
179:182 binding NAD(+)
190 binding NAD(+)
194 binding Zn(2+)
271 binding Zn(2+)
287 binding Zn(2+)

6hqvA Pentafunctional arom complex from chaetomium thermophilum (see paper)
24% identity, 98% coverage: 8:432/434 of query aligns to 400:827/1555 of 6hqvA

query
sites
6hqvA

V

V

T

T

A

V

L

T

P

P

-

G

D

S

K

K

S

S

I

I

S

S

H

N

R
|
R

A

A

A

L

L

V

I

L

G

A

S

A

L

L

S

G

E

E

G

G

V

T

T

T

E

R

I

I

T

H

N

G

F

L

S

L

A

H

G

S

F

D

D

D

N

V

Q

Q

S

Y

T

M

L

L

G

-

V

-

L

-

H

-

D

-

A

A

G

A

I

I

E

E

V

-

S

Q

Q

L

H

H

E

G

I

A

D

D

G

F

A

S

Y

W

G

E

R

D

R

A

I

G

R

E

K

I

V

L

I

V

S

T

S

G

R

K

G

G

L

-

W

G

S

K

F

L

T

Q

A

A

P

S

E

K

K

E

P

P

L

L

M

Y

C

L

N

G

N

N

S

A

G

G

S

T

T

A

M

S

R

R

M

F

F

L

A

T

G

S

I

V

L

V

A

A

-

L

-

C

-

A

-

P

A

S

Q

A

P

V

F

S

E

S

S

T

E

V

L

L

V

T

G

G

D

N

S

A

S

R

L

M

M

K

K

V

R

R

P

P

M

I

K

G

R

A

V

L

A

V

D

D

P

A

L

L

R

R

Q

A

M

N

G

G

A

V

G

G

V

V

D

K

-

Y

L

L

S

E

P

K

A

E

G

K

T

S

A

L

P

P

V

V

R

E

I

V

R

D

G

A

T

A

R

G

D

G

L

F

T

A

P

G

-

G

-

V

L

I

E

E

Y

L

R

A

L

A

P

T

V

V

P

S

S
|
S

A
x
Q

Q

Y

V

V

K

S

S

S

L

I

V

L

T

-

F

M

A

A

L

P

H

Y

A

A

D

H

G

Q

E

P

T

V

R

-

I

-

E

-

S

-

I

-

R

-

S

-

R

-

N

-

H

-

T

T

E

L

L

R

M

L

L

V

G

G

L

G

E

K

T

P

I

I

D

S

R

Q

P

P

D

Y

G

I

E

D

R

M

V

T

I

I

V

A

I

M

P

-

G

-

R

-

K

-

T

-

I

-

V

-

A

M

R

A

S

S

F

F

Y

G

I

I

P

K

A

V

D

E

P

R

S

S

A

A

A

E

-

D

-

P

-

N

C

T

F

Y

I

L

V

I

A

P

L

K

G

G

L

V

L

Y

G

K

S

N

N

P

S

P

E

E

I

Y

I

V

R

E

D

S

V

D

C

A

L

S

N

S

P

A

T

T

R

-

V

-

E

-

F

-

I

Y

P

P

L

L

L

A

T

V

G

A

A

A

-

I

-

T

G

G

A

T

D

T

I

C

T

T

I

I

E

P

N

N

S

-

R

-

I

-

I

I

G

G

G

S

E

E

T

S

I

L

G

Q

D

G

I

D

L

A

V

R

R

F

S

A

T

V

R

E

T

V

L

L

K

R

P

P

L

M

-

G

-

C

-

A

-

V

-

E

V

Q

I

T

S

A

N

T

P

S

T

T

V

T

V

V

A

T

G

G

-

P

-

I

-

G

-

T

-

L

-

K

V

A

I

I

D

P

E

H

L

V

P

D

M

M

L

E

S

P

V

M

L

T

S

D

A

A

F

F

S

L

-

T

-

A

-

V

-

L

-

A

-

V

-

A

S

D

G

G

E

T

F

T

E

Q

L

I

H

T

N

G

A

I

E

A

E

N

L

Q

R

R

T

V

K

K

E

E

S

C

D

N

R

R

I

I

N

A

A

A

I

M

V

K

V

D

N

Q

L

L

E

A

R

K

L

F

G

G

F

V

D

Q

C

C

E

N

Q

E

Y

L

P

E

D

D

G

G

F

I

R

E

V

V

I

I

G

G

R

K

R

P

C

Y

R

Q

P

E

V

L

G

R

Q

N

V

P

T

V

-

E

-

G

V

I

A

Y

C

C

F

Y

D

D

H

H

R

R

I

V

A

A

M

M

S

S

F

H

A

S

V

V

A

L

A

S

R

T

A

I

T

S

G

P

E

H

G

P

I

V

A

L

L

I

S

L

D

E

S

R

D

E

V

C

V

T

G

A

V

K

S

T

F

W

P

P

N

G

F

W

E

D

I

I

I

L

E

S

N

Q

L

F

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: R413 (= R20), S562 (= S169), Q563 (≠ A170)

Sites not aligning to the query:

active site: 123, 145, 187, 243, 253, 257, 261, 264, 268, 280
binding (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid: 1060, 1062, 1181, 1224, 1232, 1242, 1243
binding glutamic acid: 139, 145, 187, 243, 257, 264, 280
binding nicotinamide-adenine-dinucleotide: 42, 44, 45, 76, 79, 107, 108, 109, 112, 132, 133, 135, 139, 140, 145, 154, 175, 176, 177, 180, 280
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: 874, 923, 924, 979, 1277, 1279, 1323, 1327, 1348, 1368, 1526
binding zinc ion: 187, 264, 280

2pq9A E. Coli epsps liganded with (r)-difluoromethyl tetrahedral reaction intermediate analog (see paper)
24% identity, 96% coverage: 11:427/434 of query aligns to 18:418/427 of 2pq9A

query
sites
2pq9A

L

L

P

P

P

G

D

S

K
|
K

S
|
S

I

V

S

S

H

N

R
|
R

A

A

A

L

L

L

I

L

G

A

S

A

L

L

S

A

E

H

G

G

V

K

T

T

E

V

I

L

T

T

N

N

F

L

S

L

A

D

G

S

F

D

D
|
D

N

V

Q

R

S

H

T

M

L

L

G

N

V

A

L

L

H

T

D

A

A

L

G

G

I

V

E

S

V

Y

S

T

Q

L

H

S

E

-

I

-

D

-

G

-

A

-

Y

-

G

A

R

D

R

R

I

T

R

R

K

C

V

E

I

I

S

G

S

N

R

G

G

G

-

P

L

L

W

H

S

A

F

E

T

G

A

A

P

L

E

E

K

-

P

-

L

L

M

F

C

L

N

G

N
|
N

S

A

G
|
G

S
x
T

T

A

M

M

R

R

M

P

F

L

A

A

G

A

I

A

L

L

A

C

A

L

Q

G

P

S

F

N

E

D

S

I

E

V

L

L

V

T

G

G

D

E

S
x
P

S

R

L

M

M

K

K

E

R
|
R

P

P

M

I

K

G

R

H

V

L

A

V

D

D

P

A

L

L

R

R

Q

L

M

G

G

G

A

A

G

K

V

I

D

T

-

Y

L

L

S

E

P

Q

A

E

G

N

T

Y

A

P

P

P

V

L

R

R

I

L

R

Q

G

G

T

G

R

F

D

T

L

G

T

G

P

N

L

V

E

D

Y

V

R

D

L

G

P

S

V

V

P
x
S

S
|
S

A
x
Q

Q

F

V

L

K

T

S

A

L

L

V

L

T

M

F

T

A

A

A

P

L

L

H

A

-

P

A

E

D

D

G

T

E

V

T

I

R

R

I

I

I

K

E

G

S

D

I

L

R

V

S
|
S

R

K

N

P

H
x
Y

T

I

E

D

L

I

M

T

L

L

G

N

L

L

E

M

T

K

-

T

-

F

-

G

-

V

-

E

I

I

D

E

R

N

P

Q

D

H

G

Y

E

Q

R

Q

V

F

I

V

V

V

I

K

P

G

G

G

R

Q

K

S

T

Y

I

Q

V

S

A

P

R

G

S

T

F

Y

Y

L

I

V

P

E

A

G

D

D

P

A

S

S

A

S

A

A

C

S

F

Y

I

F

V

L

A

A

L

A

G

A

L

A

L

I

G

K

S

G

N

G

S

T

E

-

I

V

I

K

I

V

R

T

D

G

V

I

C

G

L

R

N

N

P

S

T

M

R

Q

-

G

-

D

V

I

E

R

F

F

I

A

P

D

L

V

L

L

T

E

G

K

A

M

G

G

A

A

D

T

I

I

T

-

I

-

E

-

N

-

S

-

R

-

I

-

G

-

E

-

T

C

I

W

G

G

D

D

I

D

L

Y

V

I

R

S

S

C

T

T

R

R

-

G

T

E

L

L

K

N

P

A

L

I

V

D

I

M

S

D

N

-

P

-

T

-

V

-

V

M

A

N

G

H

V

I

I

P

D
|
D

E

A

L

A

P

M

M

T

L

I

S

A

V

T

L

A

S

A

A

L

F

F

S

A

S

K

G

G

E

T

F

T

E

T

L

L

H

R

N

N

A

I

E

Y

E
x
N

L

W

R

R

T

V

K
|
K

E
|
E

S

T

D

D

R
|
R

I

L

N

F

A

A

I

M

V

A

V

T

N

E

L

L

E

R

R

K

L

V

G

G

F

A

D

E

C

V

E

E

Q

E

Y

G

P

H

D

D

G

Y

F

I

R

R

V

I

I

T

G

-

R

-

R

P

C

P

R

E

P

K

V

L

G

N

Q

F

V

A

T

E

V

I

A

A

C

T

F

Y

D

N

D

D

H
|
H

R
|
R

I

M

A

A

M

M

S

C

F

F

A

S

V

L

A

V

A

A

R

-

A

L

T

S

G

D

E

T

G

P

I

V

A

T

L

I

S

L

D

D

S

P

D

K

V

C

V

T

G

A

V
x
K

S

T

F

F

P

P

N

D

F

Y

F

F

E

E

active site: K22 (= K15), S23 (= S16), D49 (= D42), N94 (= N94), P119 (≠ S119), R124 (= R124), D313 (= D319), E341 (= E347), H385 (= H393), R386 (= R394), K411 (≠ V420)
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 (= K15), S23 (= S16), R27 (= R20), G96 (= G96), T97 (≠ S97), R124 (= R124), S169 (≠ P168), S170 (= S169), Q171 (≠ A170), S197 (= S195), Y200 (≠ H198), D313 (= D319), N336 (≠ E342), K340 (= K346), R344 (= R350), H385 (= H393), R386 (= R394), K411 (≠ V420)

2aa9A Epsp synthase liganded with shikimate (see paper)
24% identity, 96% coverage: 11:427/434 of query aligns to 18:418/427 of 2aa9A

query
sites
2aa9A

L

L

P

P

P

G

D

S

K
|
K

S
|
S

I

V

S

S

H

N

R
|
R

A

A

A

L

L

L

I

L

G

A

S

A

L

L

S

A

E

H

G

G

V

K

T

T

E

V

I

L

T

T

N

N

F

L

S

L

A

D

G

S

F

D

D
|
D

N

V

Q

R

S

H

T

M

L

L

G

N

V

A

L

L

H

T

D

A

A

L

G

G

I

V

E

S

V

Y

S

T

Q

L

H

S

E

-

I

-

D

-

G

-

A

-

Y

-

G

A

R

D

R

R

I

T

R

R

K

C

V

E

I

I

S

G

S

N

R

G

G

G

-

P

L

L

W

H

S

A

F

E

T

G

A

A

P

L

E

E

K

-

P

-

L

L

M

F

C

L

N

G

N
|
N

S

A

G

G

S
x
T

T

A

M

M

R

R

M

P

F

L

A

A

G

A

I

A

L

L

A

C

A

L

Q

G

P

S

F

N

E

D

S

I

E

V

L

L

V

T

G

G

D

E

S
x
P

S

R

L

M

M

K

K

E

R
|
R

P

P

M

I

K

G

R

H

V

L

A

V

D

D

P

A

L

L

R

R

Q

L

M

G

G

G

A

A

G

K

V

I

D

T

-

Y

L

L

S

E

P

Q

A

E

G

N

T

Y

A

P

P

P

V

L

R

R

I

L

R

Q

G

G

T

G

R

F

D

T

L

G

T

G

P

N

L

V

E

D

Y

V

R

D

L

G

P

S

V

V

P

S

S

S

A
x
Q

Q

F

V

L

K

T

S

A

L

L

V

L

T

M

F

T

A

A

A

P

L

L

H

A

-

P

A

E

D

D

G

T

E

V

T

I

R

R

I

I

I

K

E

G

S

D

I

L

R

V

S

S

R

K

N

P

H
x
Y

T

I

E

D

L

I

M

T

L

L

G

N

L

L

E

M

T

K

-

T

-

F

-

G

-

V

-

E

I

I

D

E

R

N

P

Q

D

H

G

Y

E

Q

R

Q

V

F

I

V

V

V

I

K

P

G

G

G

R

Q

K

S

T

Y

I

Q

V

S

A

P

R

G

S

T

F

Y

Y

L

I

V

P

E

A

G

D

D

P

A

S

S

A

S

A

A

C

S

F

Y

I

F

V

L

A

A

L

A

G

A

L

A

L

I

G

K

S

G

N

G

S

T

E

-

I

V

I

K

I

V

R

T

D

G

V

I

C

G

L

R

N

N

P

S

T

M

R

Q

-

G

-

D

V

I

E

R

F

F

I

A

P

D

L

V

L

L

T

E

G

K

A

M

G

G

A

A

D

T

I

I

T

-

I

-

E

-

N

-

S

-

R

-

I

-

G

-

E

-

T

C

I

W

G

G

D

D

I

D

L

Y

V

I

R

S

S

C

T

T

R

R

-

G

T

E

L

L

K

N

P

A

L

I

V

D

I

M

S

D

N

-

P

-

T

-

V

-

V

M

A

N

G

H

V

I

I

P

D
|
D

E

A

L

A

P

M

M

T

L

I

S

A

V

T

L

A

S

A

A

L

F

F

S

A

S

K

G

G

E

T

F

T

E

T

L

L

H

R

N

N

A

I

E

Y

E

N

L

W

R

R

T

V

K
|
K

E
|
E

S

T

D

D

R

R

I

L

N

F

A

A

I

M

V

A

V

T

N

E

L

L

E

R

R

K

L

V

G

G

F

A

D

E

C

V

E

E

Q

E

Y

G

P

H

D

D

G

Y

F

I

R

R

V

I

I

T

G

-

R

-

R

P

C

P

R

E

P

K

V

L

G

N

Q

F

V

A

T

E

V

I

A

A

C

T

F

Y

D

N

D

D

H
|
H

R
|
R

I

M

A

A

M

M

S

C

F

F

A

S

V

L

A

V

A

A

R

-

A

L

T

S

G

D

E

T

G

P

I

V

A

T

L

I

S

L

D

D

S

P

D

K

V

C

V

T

G

A

V
x
K

S

T

F

F

P

P

N

D

F

Y

F

F

E

E

active site: K22 (= K15), S23 (= S16), D49 (= D42), N94 (= N94), P119 (≠ S119), R124 (= R124), D313 (= D319), E341 (= E347), H385 (= H393), R386 (= R394), K411 (≠ V420)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: K22 (= K15), S23 (= S16), R27 (= R20), T97 (≠ S97), Q171 (≠ A170), Y200 (≠ H198), D313 (= D319), K340 (= K346)

Query Sequence

>WP_012467016.1 NCBI__GCF_000020465.1:WP_012467016.1
MAVFKGEVTALPPDKSISHRAALIGSLSEGVTEITNFSAGFDNQSTLGVLHDAGIEVSQH
EIDGAYGRRIRKVIISSRGLWSFTAPEKPLMCNNSGSTMRMFAGILAAQPFESELVGDSS
LMKRPMKRVADPLRQMGAGVDLSPAGTAPVRIRGTRDLTPLEYRLPVPSAQVKSLVTFAA
LHADGETRIIESIRSRNHTELMLGLETIDRPDGERVIVIPGRKTIVARSFYIPADPSAAC
FIVALGLLGSNSEIIIRDVCLNPTRVEFIPLLTGAGADITIENSRIIGGETIGDILVRST
RTLKPLVISNPTVVAGVIDELPMLSVLSAFSSGEFELHNAEELRTKESDRINAIVVNLER
LGFDCEQYPDGFRVIGRRCRPVGQVTVACFDDHRIAMSFAVAARATGEGIALSDSDVVGV
SFPNFFEIIENLKA

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