SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012506487.1 NCBI__GCF_000020625.1:WP_012506487.1 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)
41% identity, 97% coverage: 6:428/434 of query aligns to 13:421/438 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
41% identity, 97% coverage: 6:428/434 of query aligns to 15:423/440 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
41% identity, 97% coverage: 6:428/434 of query aligns to 15:419/434 of 4egrA

query
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4egrA

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K

L

L

G

G

F

I

L

A

C

A

E

E

E

S

F

L

P

P

D

D

G

G

F

V

A

I

V

I

K

Q

G

G

R

-

Q

G

R

T

V

L

P

E

S

G

G

G

K

E

V

V

I

-

L

-

E

N

S

S

Y

Y

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

A

F

F

A

A

I

V

A

A

D

G

K

T

A

L

L

A

E

K

S

G

E

P

L

V

E

R

I

I

S

R

D

N

R

C

E

D

I

N

I

V

G

K

V
x
T

S

S

F

F

P

P

N

N

F

F

F

V

D

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, 97% coverage: 11:432/434 of query aligns to 24:443/455 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

A

G

L

L

A

A

D

S

G

G

T

E

T

T

E

R

I

I

S

T

N

G

F

L

S

L

G

E

G

G

F

E

D

D

N

V

Q

I

S

N

T

T

L

G

G

K

V

A

L

M

Q

Q

A

A

C

M

G

G

I

A

R

R

L

I

S

R

Q

-

D

-

I

-

V

-

Q

-

G

-

A

-

D

-

G

-

R

K

Q

E

T

G

R

D

H

T

V

W

V

I

L

I

H

D

S

G

S

V

G

G

L

N

W

G

S

G

F

L

S

L

A

A

P

P

D

E

A

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

G

V

Q

Y

P

D

F

F

D

D

S

S

T

T

L

F

V

I

G

G

D

D

N

A

S

S

L

L

M

T

K

K

R

R

P

P

M

M

K

G

R

R

I

V

A

L

D

N

P

P

L

L

R

R

R

E

M

M

G

G

A

V

G

Q

I

V

S

K

L

S

S

E

P

D

D

G

G

D

T

R

A

L

P

P

V

V

G

T

I

L

N

R

G

G

T

P

R

K

D

T

L

P

K

T

P

P

I

I

T

T

Y

Y

E

R

L

V

P

P

M

M

P

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

L

A

V

V

A

L

F

L

A

A

A

G

L

L

H

N

A

T

D

P

G

G

E

I

S

T

R

T

V

V

I

I

E

E

T

P

L

I

P

M

S

T

R

R

N

D

H

H

T

T

E

E

L

K

M

M

L

L

-

Q

-

G

-

F

-

G

-

A

D

N

L

L

K

T

T

V

E

E

A

T

L

D

S

A

D

D

G

G

R

V

R

R

A

T

V

I

I

R

I

L

P

E

G

G

G

R

K

G

S

K

L

L

E

T

A

G

R

Q

P

V

F

I

H

D

I

V

P

P

A

G

D

D

P

P

S

S

A

S

A

T

C

A

F

F

M

P

I

L

A

V

L

A

G

A

L

L

V

V

P

P

G

G

S

S

E

D

I

V

L

T

L

I

R

L

D

N

V

V

C

L

L

M

N

N

P

P

T

T

R

R

A

T

G

G

Y

L

I

I

E

L

L

T

L

L

I

Q

G

E

A

M

G

G

A

A

D

D

I

I

G

E

F

V

E

I

N

N

R

P

R

R

V

L

I

A

G

G

E

E

T

D

I

V

G

A

D

D

I

L

V

R

V

V

R

R

Y

S

S

S

G

-

S

T

V

L

E

K

P

G

L

V

R

T

I

V

D

P

E

E

P

D

S

R

I

-

V

A

A

P

N

S

I

M

I

I

D
|
D

E

E

I

Y

P

P

M

I

L

L

A

A

V

V

F

A

S

A

A

A

C

F

A

A

T

E

A

G

E

A

F

T

E

V

L

M

H

N

H

G

A

L

A

E

E

E

L

L

R

R

T

V

K
|
K

E

E

S

S

D

D

R

R

I

L

S

S

A

A

V

V

V

A

S

N

N

G

L

L

Q

K

R

L

L

N

G

G

F

V

L

D

C

C

E

D

E

E

F

G

P

E

D

T

G

S

F

L

A

V

V

V

K

R

G

G

R

R

Q

-

R

-

V

-

P

P

S

D

G

G

K

K

V

G

I

L

-

G

-

N

-

A

-

S

-

G

-

A

L

V

E

A

S

T

Y

H

D

L

D

D

H

H

R

R

I

I

A

A

M

M

S

S

F

F

A

L

I

V

A

M

D

G

K

L

A

V

L

S

E

E

S

N

E

P

L

V

E

T

I

V

S

D

D

D

R

A

E

T

I

M

I

I

G

A

V

T

S

S

F

F

P

P

N

E

F

F

F

M

D

D

I

L

I

M

E

A

S

G

L

L

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, 97% coverage: 11:432/434 of query aligns to 19:438/445 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

A

G

L

L

A

A

D

S

G

G

T

E

T

T

E

R

I

I

S

T

N

G

F

L

S

L

G

E

G

G

F

E

D
|
D

N

V

Q

I

S

N

T

T

L

G

G

K

V

A

L

M

Q

Q

A

A

C

M

G

G

I

A

R

R

L

I

S

R

Q

-

D

-

I

-

V

-

Q

-

G

-

A

-

D

-

G

-

R

K

Q

E

T

G

R

D

H

T

V

W

V

I

L

I

H

D

S

G

S

V

G

G

L

N

W

G

S

G

F

L

S

L

A

A

P

P

D

E

A

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

G

V

Q

Y

P

D

F

F

D

D

S

S

T

T

L

F

V

I

G

G

D

D

N

A

S

S

L

L

M

T

K

K

R
|
R

P

P

M

M

K

G

R

R

I

V

A

L

D

N

P

P

L

L

R

R

R

E

M

M

G

G

A

V

G

Q

I

V

S

K

L

S

S

E

P

D

D

G

G

D

T

R

A

L

P

P

V

V

G

T

I

L

N

R

G

G

T

P

R

K

D

T

L

P

K

T

P

P

I

I

T

T

Y

Y

E

R

L

V

P

P

M

M

P

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

L

A

V

V

A

L

F

L

A

A

A

G

L

L

H

N

A

T

D

P

G

G

E

I

S

T

R

T

V

V

I

I

E

E

T

P

L

I

P

M

S

T

R

R

N

D

H

H

T

T

E

E

L

K

M

M

L

L

-

Q

-

G

-

F

-

G

-

A

D

N

L

L

K

T

T

V

E

E

A

T

L

D

S

A

D

D

G

G

R

V

R

R

A

T

V

I

I

R

I

L

P

E

G

G

G

R

K

G

S

K

L

L

E

T

A

G

R

Q

P

V

F

I

H

D

I

V

P

P

A

G

D

D

P

P

S

S

A

S

A

T

C

A

F

F

M

P

I

L

A

V

L

A

G

A

L

L

V

V

P

P

G

G

S

S

E

D

I

V

L

T

L

I

R

L

D

N

V

V

C

L

L

M

N

N

P

P

T

T

R

R

A

T

G

G

Y

L

I

I

E

L

L

T

L

L

I

Q

G

E

A

M

G

G

A

A

D

D

I

I

G

E

F

V

E

I

N

N

R

P

R

R

V

L

I

A

G

G

E

E

T

D

I

V

G

A

D

D

I

L

V

R

V

V

R

R

Y

S

S

S

G

-

S

T

V

L

E

K

P

G

L

V

R

T

I

V

D

P

E

E

P

D

S

R

I

-

V

A

A

P

N

S

I

M

I

I

D
|
D

E

E

I

Y

P

P

M

I

L

L

A

A

V

V

F

A

S

A

A

A

C

F

A

A

T

E

A

G

E

A

F

T

E

V

L

M

H

N

H

G

A

L

A

E

E

E

L

L

R

R

T

V

K
|
K

E
|
E

S

S

D

D

R
|
R

I

L

S

S

A

A

V

V

V

A

S

N

N

G

L

L

Q

K

R

L

L

N

G

G

F

V

L

D

C

C

E

D

E

E

F

G

P

E

D

T

G

S

F

L

A

V

V

V

K

R

G

G

R

R

Q

-

R

-

V

-

P

P

S

D

G

G

K

K

V

G

I

L

-

G

-

N

-

A

-

S

-

G

-

A

L

V

E

A

S

T

Y

H

D

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

S

F

F

A

L

I

V

A

M

D

G

K

L

A

V

L

S

E

E

S

N

E

P

L

V

E

T

I

V

S

D

D

D

R

A

E

T

I

M

I

I

G

A

V
x
T

S

S

F

F

P

P

N

E

F

F

F

M

D

D

I

L

I

M

E

A

S

G

L

L

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, 97% coverage: 11:432/434 of query aligns to 19:438/445 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

A

G

L

L

A

A

D

S

G

G

T

E

T

T

E

R

I

I

S

T

N

G

F

L

S

L

G

E

G

G

F

E

D
|
D

N

V

Q

I

S

N

T

T

L

G

G

K

V

A

L

M

Q

Q

A

A

C

M

G

G

I

A

R

R

L

I

S

R

Q

-

D

-

I

-

V

-

Q

-

G

-

A

-

D

-

G

-

R

K

Q

E

T

G

R

D

H

T

V

W

V

I

L

I

H

D

S

G

S

V

G

G

L

N

W

G

S

G

F

L

S

L

A

A

P

P

D

E

A

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

G

V

Q

Y

P

D

F

F

D

D

S

S

T

T

L

F

V

I

G

G

D

D

N

A

S

S

L

L

M

T

K

K

R
|
R

P

P

M

M

K

G

R

R

I

V

A

L

D

N

P

P

L

L

R

R

R

E

M

M

G

G

A

V

G

Q

I

V

S

K

L

S

S

E

P

D

D

G

G

D

T

R

A

L

P

P

V

V

G

T

I

L

N

R

G

G

T

P

R

K

D

T

L

P

K

T

P

P

I

I

T

T

Y

Y

E

R

L

V

P

P

M

M

P

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

L

A

V

V

A

L

F

L

A

A

A

G

L

L

H

N

A

T

D

P

G

G

E

I

S

T

R

T

V

V

I

I

E

E

T

P

L

I

P

M

S

T

R

R

N

D

H

H

T

T

E

E

L

K

M

M

L

L

-

Q

-

G

-

F

-

G

-

A

D

N

L

L

K

T

T

V

E

E

A

T

L

D

S

A

D

D

G

G

R

V

R

R

A

T

V

I

I

R

I

L

P

E

G

G

G

R

K

G

S

K

L

L

E

T

A

G

R

Q

P

V

F

I

H

D

I

V

P

P

A

G

D

D

P

P

S

S

A

S

A

T

C

A

F

F

M

P

I

L

A

V

L

A

G

A

L

L

V

V

P

P

G

G

S

S

E

D

I

V

L

T

L

I

R

L

D

N

V

V

C

L

L

M

N

N

P

P

T

T

R

R

A

T

G

G

Y

L

I

I

E

L

L

T

L

L

I

Q

G

E

A

M

G

G

A

A

D

D

I

I

G

E

F

V

E

I

N

N

R

P

R

R

V

L

I

A

G

G

E

E

T

D

I

V

G

A

D

D

I

L

V

R

V

V

R

R

Y

S

S

S

G

-

S

T

V

L

E

K

P

G

L

V

R

T

I

V

D

P

E

E

P

D

S

R

I

-

V

A

A

P

N

S

I

M

I

I

D
|
D

E

E

I

Y

P

P

M

I

L

L

A

A

V

V

F

A

S

A

A

A

C

F

A

A

T

E

A

G

E

A

F

T

E

V

L

M

H

N

H

G

A

L

A

E

E

E

L

L

R

R

T

V

K
|
K

E
|
E

S

S

D

D

R
|
R

I

L

S

S

A

A

V

V

V

A

S

N

N

G

L

L

Q

K

R

L

L

N

G

G

F

V

L

D

C

C

E

D

E

E

F

G

P

E

D

T

G

S

F

L

A

V

V

V

K

R

G

G

R

R

Q

-

R

-

V

-

P

P

S

D

G

G

K

K

V

G

I

L

-

G

-

N

-

A

-

S

-

G

-

A

L

V

E

A

S

T

Y

H

D

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

S

F

F

A

L

I

V

A

M

D

G

K

L

A

V

L

S

E

E

S

N

E

P

L

V

E

T

I

V

S

D

D

D

R

A

E

T

I

M

I

I

G

A

V
x
T

S

S

F

F

P

P

N

E

F

F

F

M

D

D

I

L

I

M

E

A

S

G

L

L

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, 97% coverage: 11:432/434 of query aligns to 19:438/445 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

A

G

L

L

A

A

D

S

G

G

T

E

T

T

E

R

I

I

S

T

N

G

F

L

S

L

G

E

G

G

F

E

D
|
D

N

V

Q

I

S

N

T

T

L

G

G

K

V

A

L

M

Q

Q

A

A

C

M

G

G

I

A

R

R

L

I

S

R

Q

-

D

-

I

-

V

-

Q

-

G

-

A

-

D

-

G

-

R

K

Q

E

T

G

R

D

H

T

V

W

V

I

L

I

H

D

S

G

S

V

G

G

L

N

W

G

S

G

F

L

S

L

A

A

P

P

D

E

A

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

G

V

Q

Y

P

D

F

F

D

D

S

S

T

T

L

F

V

I

G

G

D

D

N

A

S

S

L

L

M

T

K

K

R
|
R

P

P

M

M

K

G

R

R

I

V

A

L

D

N

P

P

L

L

R

R

R

E

M

M

G

G

A

V

G

Q

I

V

S

K

L

S

S

E

P

D

D

G

G

D

T

R

A

L

P

P

V

V

G

T

I

L

N

R

G

G

T

P

R

K

D

T

L

P

K

T

P

P

I

I

T

T

Y

Y

E

R

L

V

P

P

M

M

P

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

L

A

V

V

A

L

F

L

A

A

A

G

L

L

H

N

A

T

D

P

G

G

E

I

S

T

R

T

V

V

I

I

E

E

T

P

L

I

P

M

S

T

R
|
R

N

D

H

H

T

T

E

E

L

K

M

M

L

L

-

Q

-

G

-

F

-

G

-

A

D

N

L

L

K

T

T

V

E

E

A

T

L

D

S

A

D

D

G

G

R

V

R

R

A

T

V

I

I

R

I

L

P

E

G

G

G

R

K

G

S

K

L

L

E

T

A

G

R

Q

P

V

F

I

H

D

I

V

P

P

A

G

D

D

P

P

S

S

A

S

A

T

C

A

F

F

M

P

I

L

A

V

L

A

G

A

L

L

V

V

P

P

G

G

S

S

E

D

I

V

L

T

L

I

R

L

D

N

V

V

C

L

L

M

N

N

P

P

T

T

R

R

A

T

G

G

Y

L

I

I

E

L

L

T

L

L

I

Q

G

E

A

M

G

G

A

A

D

D

I

I

G

E

F

V

E

I

N

N

R

P

R

R

V

L

I

A

G

G

E

E

T

D

I

V

G

A

D

D

I

L

V

R

V

V

R

R

Y

S

S

S

G

-

S

T

V

L

E

K

P

G

L

V

R

T

I

V

D

P

E

E

P

D

S

R

I

-

V

A

A

P

N

S

I

M

I

I

D
|
D

E

E

I

Y

P

P

M

I

L

L

A

A

V

V

F

A

S

A

A

A

C

F

A

A

T

E

A

G

E

A

F

T

E

V

L

M

H

N

H

G

A

L

A

E

E

E

L

L

R

R

T

V

K
|
K

E
|
E

S

S

D

D

R
|
R

I

L

S

S

A

A

V

V

V

A

S

N

N

G

L

L

Q

K

R

L

L

N

G

G

F

V

L

D

C

C

E

D

E

E

F

G

P

E

D

T

G

S

F

L

A

V

V

V

K

R

G

G

R

R

Q

-

R

-

V

-

P

P

S

D

G

G

K

K

V

G

I

L

-

G

-

N

-

A

-

S

-

G

-

A

L

V

E

A

S

T

Y

H

D

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

S

F

F

A

L

I

V

A

M

D

G

K

L

A

V

L

S

E

E

S

N

E

P

L

V

E

T

I

V

S

D

D

D

R

A

E

T

I

M

I

I

G

A

V
x
T

S

S

F

F

P

P

N

E

F

F

F

M

D

D

I

L

I

M

E

A

S

G

L

L

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, 97% coverage: 11:432/434 of query aligns to 19:438/445 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

A

G

L

L

A

A

D

S

G

G

T

E

T

T

E

R

I

I

S

T

N

G

F

L

S

L

G

E

G

G

F

E

D
|
D

N

V

Q

I

S

N

T

T

L

G

G

K

V

A

L

M

Q

Q

A

A

C

M

G

G

I

A

R

R

L

I

S

R

Q

-

D

-

I

-

V

-

Q

-

G

-

A

-

D

-

G

-

R

K

Q

E

T

G

R

D

H

T

V

W

V

I

L

I

H

D

S

G

S

V

G

G

L

N

W

G

S

G

F

L

S

L

A

A

P

P

D

E

A

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

G

V

Q

Y

P

D

F

F

D

D

S

S

T

T

L

F

V

I

G

G

D

D

N

A

S

S

L

L

M

T

K

K

R
|
R

P

P

M

M

K

G

R

R

I

V

A

L

D

N

P

P

L

L

R

R

R

E

M

M

G

G

A

V

G

Q

I

V

S

K

L

S

S

E

P

D

D

G

G

D

T

R

A

L

P

P

V

V

G

T

I

L

N

R

G

G

T

P

R

K

D

T

L

P

K

T

P

P

I

I

T

T

Y

Y

E

R

L

V

P

P

M

M

P

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

L

A

V

V

A

L

F

L

A

A

A

G

L

L

H

N

A

T

D

P

G

G

E

I

S

T

R

T

V

V

I

I

E

E

T

P

L

I

P

M

S

T

R

R

N

D

H

H

T

T

E

E

L

K

M

M

L

L

-

Q

-

G

-

F

-

G

-

A

D

N

L

L

K

T

T

V

E

E

A

T

L

D

S

A

D

D

G

G

R

V

R

R

A

T

V

I

I

R

I

L

P

E

G

G

G

R

K

G

S

K

L

L

E

T

A

G

R

Q

P

V

F

I

H

D

I

V

P

P

A

G

D

D

P

P

S

S

A

S

A

T

C

A

F

F

M

P

I

L

A

V

L

A

G

A

L

L

V

V

P

P

G

G

S

S

E

D

I

V

L

T

L

I

R

L

D

N

V

V

C

L

L

M

N

N

P

P

T

T

R

R

A

T

G

G

Y

L

I

I

E

L

L

T

L

L

I

Q

G

E

A

M

G

G

A

A

D

D

I

I

G

E

F

V

E

I

N

N

R

P

R

R

V

L

I

A

G

G

E

E

T

D

I

V

G

A

D

D

I

L

V

R

V

V

R

R

Y

S

S

S

G

-

S

T

V

L

E

K

P

G

L

V

R

T

I

V

D

P

E

E

P

D

S

R

I

-

V

A

A

P

N

S

I

M

I

I

D
|
D

E

E

I

Y

P

P

M

I

L

L

A

A

V

V

F

A

S

A

A

A

C

F

A

A

T

E

A

G

E

A

F

T

E

V

L

M

H

N

H

G

A

L

A

E

E

E

L

L

R

R

T

V

K
|
K

E
|
E

S

S

D

D

R

R

I

L

S

S

A

A

V

V

V

A

S

N

N

G

L

L

Q

K

R

L

L

N

G

G

F

V

L

D

C

C

E

D

E

E

F

G

P

E

D

T

G

S

F

L

A

V

V

V

K

R

G

G

R

R

Q

-

R

-

V

-

P

P

S

D

G

G

K

K

V

G

I

L

-

G

-

N

-

A

-

S

-

G

-

A

L

V

E

A

S

T

Y

H

D

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

S

F

F

A

L

I

V

A

M

D

G

K

L

A

V

L

S

E

E

S

N

E

P

L

V

E

T

I

V

S

D

D

D

R

A

E

T

I

M

I

I

G

A

V
x
T

S

S

F

F

P

P

N

E

F

F

F

M

D

D

I

L

I

M

E

A

S

G

L

L

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)

1rf6A Structural studies of streptococcus pneumoniae epsp synthase in s3p- glp bound state (see paper)
35% identity, 98% coverage: 8:432/434 of query aligns to 13:424/427 of 1rf6A

query
sites
1rf6A

V

I

F

I

N

R

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

A

S

L

L

A

A

D

E

G

G

T

E

T

T

E

K

I

V

S

Y

N

D

F

I

S

L

G

R

G

G

F

E

D
|
D

N

V

Q

L

S

S

T

T

L

M

G

Q

V

V

L

F

Q

R

A

D

C

L

G

G

I

V

R

E

L

-

S

-

Q

-

D

-

I

-

V

I

Q

E

G

D

A

K

D

D

G

G

R

V

Q

-

T

-

R

-

H

-

V

I

V

T

L

V

H

Q

S

G

S

V

G

G

L

M

W

A

S

G

F

L

S

K

A

A

P

P

D

Q

A

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

G

G

Q

A

P

D

F

F

D

E

S

V

T

E

L

M

V

F

G

G

D

D

N
x
D

S

S

L

L

M

S

K

K

R
|
R

P

P

M

M

K

D

R

R

I

V

A

T

D

L

P

P

L

L

R

K

M

M

G

G

A

V

G

S

I

I

S

S

L

G

S

Q

P

T

D

E

-

R

G

D

T

L

A

P

P

P

V

L

G

R

I

L

N

K

G

G

T

T

R

K

D

N

L

L

K

R

P

P

I

I

T

H

Y

Y

E

E

L

L

P

P

M

I

P

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

L

A

V

L

A

M

F

F

A

A

L

L

H

Q

A

A

D

K

G

G

E

E

S

S

R

V

V

I

I

I

E

E

T

K

L

E

P

Y

S

T

R
|
R

N

N

H

H

T

T

E

E

L

D

M

M

L

L

D

Q

L

Q

K

F

T

G

E

G

A

H

L

L

S

S

D

V

G

D

R

G

R

K

A

K

V

I

I

T

I

V

P

Q

G

G

G

P

K

Q

S

K

L

L

E

T

A

G

R

Q

P

K

F

V

H

V

I

V

P

P

A

G

D

D

P

I

S

S

A

S

A

A

C

A

F

F

M

W

I

L

A

V

L

A

G

G

L

L

L

I

V

A

P

P

G

N

S

S

E

R

I

L

L

V

L

L

R

Q

D

N

V

V

C

G

L

I

N

N

P

E

T

T

R

R

A

T

G

G

Y

I

I

I

E

D

L

V

L

I

I

R

G

A

A

M

G

G

A

G

D

K

I

L

G

E

F

I

E

T

N

E

R

I

R

D

V

P

I

V

G

A

G

K

E

S

T

A

I

T

G

-

D

-

I

L

V

I

V

V

R

E

Y

S

S

S

G

-

S

-

V

-

E

-

P

D

L

L

R

K

I

G

D

T

E

E

-

I

-

C

P

G

S

A

I

L

V

I

A

P

N

R

I

L

I
|
I

D
|
D

E

E

I

L

P

P

M

I

L

I

A

A

V

L

F

L

S

A

A

T

C

Q

A

A

T

Q

A

G

E

V

F

T

E

V

L

I

H

K

H

D

A

A

A

E

E

E

L

L

R

K

T

V

K
|
K

E
|
E

S

T

D

D

R
|
R

I

I

S

Q

A

V

V

V

V

A

S

D

N

A

L

L

Q

N

R

S

L

M

G

G

F

A

L

D

C

I

E

T

E

P

F

T

P

A

D

D

G

G

F

M

A

I

V

I

K

K

G

G

R

K

Q

S

R

A

V

L

P

H

S

G

G

A

K

R

V

V

I

-

L

-

E

N

S

T

Y

F

D

G

D

D

H
|
H

R
|
R

I

I

A

G

M

M

S

M

F

T

A

A

I

I

A

A

D

A

K

L

A

L

L

V

-

A

E

D

S

G

E

E

L

V

E

E

I

L

S

D

D

R

R

A

E

E

I

A

I

I

G

N

V
x
T

S

S

F

Y

P

P

N

S

F

F

D

D

I

D

I

L

E

E

S

S

L

L

active site: K20 (= K15), S21 (= S16), D47 (= D42), N90 (= N94), D115 (≠ N119), 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)
35% identity, 98% coverage: 8:432/434 of query aligns to 13:424/427 of 1rf4A

query
sites
1rf4A

V

I

F

I

N

R

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

A

S

L

L

A

A

D

E

G

G

T

E

T

T

E

K

I

V

S

Y

N

D

F

I

S

L

G

R

G

G

F

E

D
|
D

N

V

Q

L

S

S

T

T

L

M

G

Q

V

V

L

F

Q

R

A

D

C

L

G

G

I

V

R

E

L

-

S

-

Q

-

D

-

I

-

V

I

Q

E

G

D

A

K

D

D

G

G

R

V

Q

-

T

-

R

-

H

-

V

I

V

T

L

V

H

Q

S

G

S

V

G

G

L

M

W

A

S

G

F

L

S

K

A

A

P

P

D

Q

A

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

G

G

Q

A

P

D

F

F

D

E

S

V

T

E

L

M

V

F

G

G

D

D

N
x
D

S

S

L

L

M

S

K

K

R
|
R

P

P

M

M

K

D

R

R

I

V

A

T

D

L

P

P

L

L

R

K

M

M

G

G

A

V

G

S

I

I

S

S

L

G

S

Q

P

T

D

E

-

R

G

D

T

L

A

P

P

P

V

L

G

R

I

L

N

K

G

G

T

T

R

K

D

N

L

L

K

R

P

P

I

I

T

H

Y

Y

E

E

L

L

P

P

M

I

P

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

L

A

V

L

A

M

F

F

A

A

L

L

H

Q

A

A

D

K

G

G

E

E

S

S

R

V

V

I

I

I

E

E

T

K

L

E

P

Y

S

T

R
|
R

N

N

H

H

T

T

E

E

L

D

M

M

L

L

D

Q

L

Q

K

F

T

G

E

G

A

H

L

L

S

S

D

V

G

D

R

G

R

K

A

K

V

I

I

T

I

V

P

Q

G

G

G

P

K

Q

S

K

L

L

E

T

A

G

R

Q

P

K

F

V

H

V

I

V

P

P

A

G

D

D

P

I

S

S

A

S

A

A

C

A

F

F

M

W

I

L

A

V

L

A

G

G

L

L

L

I

V

A

P

P

G

N

S

S

E

R

I

L

L

V

L

L

R

Q

D

N

V

V

C

G

L

I

N

N

P

E

T

T

R

R

A

T

G

G

Y

I

I

I

E

D

L

V

L

I

I

R

G

A

A

M

G

G

A

G

D

K

I

L

G

E

F

I

E

T

N

E

R

I

R

D

V

P

I

V

G

A

G

K

E

S

T

A

I

T

G

-

D

-

I

L

V

I

V

V

R

E

Y

S

S

S

G

-

S

-

V

-

E

-

P

D

L

L

R

K

I

G

D

T

E

E

-

I

-

C

P

G

S

A

I

L

V

I

A

P

N

R

I

L

I

I

D
|
D

E

E

I

L

P

P

M

I

L

I

A

A

V

L

F

L

S

A

A

T

C

Q

A

A

T

Q

A

G

E

V

F

T

E

V

L

I

H

K

H

D

A

A

A

E

E

E

L

L

R

K

T

V

K
|
K

E
|
E

S

T

D

D

R
|
R

I

I

S

Q

A

V

V

V

V

A

S

D

N

A

L

L

Q

N

R

S

L

M

G

G

F

A

L

D

C

I

E

T

E

P

F

T

P

A

D

D

G

G

F

M

A

I

V

I

K

K

G

G

R

K

Q

S

R

A

V

L

P

H

S

G

G

A

K

R

V

V

I

-

L

-

E

N

S

T

Y

F

D

G

D

D

H
|
H

R
|
R

I

I

A

G

M

M

S

M

F

T

A

A

I

I

A

A

D

A

K

L

A

L

L

V

-

A

E

D

S

G

E

E

L

V

E

E

I

L

S

D

D

R

R

A

E

E

I

A

I

I

G

N

V
x
T

S

S

F

Y

P

P

N

S

F

F

D

D

I

D

I

L

E

E

S

S

L

L

active site: K20 (= K15), S21 (= S16), D47 (= D42), N90 (= N94), D115 (≠ N119), 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)

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, 98% coverage: 9:432/434 of query aligns to 14:424/427 of Q9S400

query
sites
Q9S400

F

I

N

R

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

A

S

L

L

A

A

D

E

G

G

T

E

T

T

E

K

I

V

S

Y

N

D

F

I

S

L

G

R

G

G

F

E

D

D

N

V

Q

L

S

S

T

T

L

M

G

Q

V

V

L

F

Q

R

A

D

C

L

G

G

I

V

R

E

L

-

S

-

Q

-

D

-

I

-

V

I

Q

E

G

D

A

K

D

D

G

G

R

V

Q

-

T

-

R

-

H

-

V

I

V

T

L

I

H

Q

S

G

S

V

G

G

L

M

W

A

S

G

F

L

S

K

A

A

P

P

D

Q

A

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

G

G

Q

A

P

D

F

F

D

E

S

V

T

E

L

M

V

F

G

G

D

D

N

D

S

S

L

L

M

S

K

K

R

R

P

P

M

M

K

D

R

R

I

V

A

T

D

L

P

P

L

L

R

K

M

M

G

G

A

V

G

S

I

I

S

S

L

G

S

Q

P

T

D

E

-

R

G

D

T

L

A

P

P

P

V

L

G

R

I

L

N

K

G

G

T

T

R

K

D

N

L

L

K

R

P

P

I

I

T

H

Y

Y

E

E

L

L

P

P

M

I

P

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

L

A

V

L

A

M

F

F

A

A

L

L

H

Q

A

A

D

K

G

G

E

E

S

S

R

V

V

I

I

I

E

E

T

K

L

E

P

Y

S

T

R

R

N

N

H

H

T

T

E

E

L

D

M

M

L

L

D

K

L

Q

K

F

T

G

E

G

A

H

L

L

S

S

D

V

G

D

R

G

R

K

A

K

V

I

I

T

I

V

P

Q

G

G

G

P

K

Q

S

K

L

L

E

T

A

G

R

Q

P

K

F

V

H

V

I

V

P

P

A

G

D

D

P

I

S

S

A

S

A

A

C

A

F

F

M

W

I

L

A

V

L

A

G

G

L

L

L

I

V

A

P

P

G

N

S

S

E

R

I

L

L

V

L

L

R

Q

D

N

V

V

C

G

L

I

N

N

P

E

T

T

R

R

A

T

G

G

Y

I

I

I

E

D

L

V

L

I

I

R

G

A

A

M

G

G

A

G

D

K

I

L

G

E

F

I

E

T

N

E

R

I

R

D

V

P

I

V

G

A

G

K

E

S

T

A

I

-

G

-

D

-

I

T

V

L

V

I

R

V

Y

E

S

S

G

S

S

D

V

L

E

K

P

G

L

T

R

E

I

I

D

G

E

-

P

G

S

A

I

L

V

I

A

P

N

R

I

L

I

I

D
|
D

E

E

I

L

P

P

M

I

L

I

A

A

V

L

F

L

S

A

A

T

C

Q

A

A

T

Q

A

G

E

V

F

T

E

V

L

I

H

K

H

D

A

A

A

E

E

E

L

L

R

K

T

V

K
|
K

E

E

S

T

D

D

R

R

I

I

S

Q

A

V

V

V

V

A

S

D

N

A

L

L

Q

N

R

S

L

M

G

G

F

A

L

D

C

I

E

T

E

P

F

T

P

A

D

D

G

G

F

M

A

I

V

I

K

K

G

G

R

K

Q

S

R

A

V

L

P

H

S

G

G

A

K

R

V

V

I

-

L

-

E

N

S

T

Y

F

D

G

D

D

H

H

R

R

I

I

A

G

M

M

S

M

F

T

A

A

I

I

A

A

D

A

K

L

A

L

L

V

-

A

E

D

S

G

E

E

L

V

E

E

I

L

S

D

D

R

R

A

E

E

I

A

I

I

G

N

V

T

S

S

F

Y

P

P

N

S

F

F

D

D

I

D

I

L

E

E

S

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

P11043 3-phosphoshikimate 1-carboxyvinyltransferase, chloroplastic; 5-enolpyruvylshikimate-3-phosphate synthase; EPSP synthase; EC 2.5.1.19 from Petunia hybrida (Petunia) (see paper)
26% identity, 98% coverage: 10:434/434 of query aligns to 90:515/516 of P11043

query
sites
P11043

N

K

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

A

A

L

L

A

S

D

E

G

G

T

T

E

V

I

V

S

D

N

N

F

L

S

L

G

S

F

D

D

D

N

I

Q

H

S

Y

T

M

L

L

G

G

V

A

L

L

Q

K

A

T

C

L

G

G

I

L

R

H

L

V

S

E

Q

E

D

-

I

-

V

-

Q

-

G

-

A

-

D

D

G

S

R

A

Q

N

T

Q

R

R

H

A

V

V

L

E

H

G

S

C

S

G

G

G

L

L

W

F

S

P

F

V

-

G

-

K

-

E

S

S

A

K

P

E

D

E

A

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

-

T

-

A

A

A

G

V

I

T

L

V

A

A

G

G

Q

G

P

N

F

S

D

R

S

Y

T

V

L

L

V

D

G

G

D

V

N

P

S

R

L

M

M

R

K

E

R

R

P

P

M

I

K

S

R

D

I

L

A

V

D

D

P

G

L

L

R

K

R

Q

M

L

G

G

A

A

G

E

I

V

S

D

L

C

S

F

P

L

D

G

G

T

T

K

A

C

P

P

V

-

G

-

I

-

N

-

G

-

T

-

R

-

D

-

L

-

K

-

P

P

-

V

-

R

I

I

T

V

Y

S

E

K

L

G

P

G

M

L

P

P

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G

A

G

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K

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K

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F

I

A

S

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-

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-

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A

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I

I

I

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A

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A

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A

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A

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F

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A

A

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-

G

G

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E

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I

I

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A

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-

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Y

F

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E

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L

L

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K

A

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G

G

A

A

D

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F

W

-

T

E

E

N

N

R

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R

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G

G

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P

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-

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-

A

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P

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N

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M

-

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L

A

A

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A

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Y

A

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Y

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D

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H

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F

A

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A

A

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A

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C

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A

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-

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I

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D

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K

G173 (= G96) mutation to A: This mutant becomes resistant to glyphosate due to a lower affinity. Shows a slight reduction in EPSP synthase activity.

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
26% identity, 98% coverage: 6:432/434 of query aligns to 14:424/426 of 3nvsA

query
sites
3nvsA

G

G

E

E

V

V

F

-

N

N

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

A

A

L

L

A

A

D

S

G

G

T

T

E

R

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T

N

N

F

L

S

L

G

D

G

S

F

D

D
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D

N

I

Q

R

S

H

T

M

L

L

G

N

V

A

L

L

Q

T

A

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C

L

G

G

I

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-

N

-

Y

R

R

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Q

A

D

D

I

-

V

-

Q

-

G

-

A

-

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-

H

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H

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G

G

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G

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F

A

S

F

A

H

P

T

D

T

A

Q

P

P

-

L

-

E

L

L

M

F

C

L

N

G

N
|
N

S

A

G
|
G

S
x
T

T

A

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M

R

R

M

P

F

L

A

A

G

A

I

A

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A

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G

P

Q

F

G

D

D

S

Y

T

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L

L

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T

G

G

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E

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x
P

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M

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K
x
E

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R

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G

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x
H

I

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P

A

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L

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x
Q

M

A

G

G

A

A

G

Q

I

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E

-
x
Y

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x
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x
Q

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A

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Y

I

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S
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A
x
Q

Q

F

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S

A

L

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A

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F

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A

A

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Y

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-

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x
A

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R

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D

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K

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F

A

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active site: K22 (= K15), S23 (= S16), D49 (= D42), N94 (= N94), P119 (≠ N119), R124 (= R124), H128 (≠ R128), Q135 (≠ R135), Y142 (vs. gap), E144 (≠ S143), A247 (= A239), A255 (≠ L248), D314 (≠ N316), E342 (= E347), H386 (= H393), R387 (= R394), K412 (≠ V420)
binding glyphosate: K22 (= K15), G96 (= G96), R124 (= R124), Q172 (≠ A170), D314 (≠ N316), 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 (≠ P168), S171 (= S169), Q172 (≠ A170), S198 (= S195), Y201 (≠ H198), D314 (≠ N316), N337 (≠ E342), K341 (= K346)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S23 (= S16), R27 (= R20), Q172 (≠ A170), Y201 (≠ H198), D314 (≠ N316), 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)
26% identity, 98% coverage: 6:432/434 of query aligns to 14:424/426 of Q9KRB0

query
sites
Q9KRB0

G

G

E

E

V

V

F

-

N

N

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

A

A

L

L

A

A

D

S

G

G

T

T

E

R

I

L

S

T

N

N

F

L

S

L

G

D

G

S

F

D

D

D

N

I

Q

R

S

H

T

M

L

L

G

N

V

A

L

L

Q

T

A

K

C

L

G

G

I

V

-

N

-

Y

R

R

L

L

S

S

Q

A

D

D

I

-

V

-

Q

-

G

-

A

-

D

-

G

-

R

-

Q

-

T

-

R

-

H

K

V

T

L

C

H

E

S

V

S

E

G

G

L

L

W

G

S

Q

F

A

S

F

A

H

P

T

D

T

A

Q

P

P

-

L

-

E

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

G

L

Q

G

P

Q

F

G

D

D

S

Y

T

V

L

L

V

T

G

G

D

E

N

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S

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M

K

K

E

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P

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I

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D

P

A

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L

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Y

L

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A

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Y

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M

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x
S

S
|
S

A

Q

Q

F

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T

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A

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M

F

S

A

A

A

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H

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A

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G

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V

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T

-

I

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I

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E

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S
|
S

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H

L

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A

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A

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A

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F

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A

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-

G

A

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G

E

E

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x
D

I

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A

M

T

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T

A

A

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L

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F

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A

A

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G

A

T

T

T

A

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E

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F

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L

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H

N

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Y

E
x
N

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K
|
K

E

E

S

T

D

D

R

R

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A

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G

P

E

D

D

G

F

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I

A

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G

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R

-

Q

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R

-

V

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P

P

S

P

G

T

K

K

V

L

I

I

-

H

-

A

L

I

E

D

S

T

Y

Y

D

D

H

H

R

R

I

M

A

A

M

M

S

C

F

F

A

S

I

L

A

V

D

A

K

L

A

S

L

-

E

D

S

T

E

P

L

V

E

T

I

I

S

N

D

D

R

P

E

K

I

C

I

T

G

S

V

K

S

T

F

F

P

P

N

D

F

Y

F

F

D

D

I

K

I

F

E

A

S

Q

L

L

K22 (= K15) binding 3-phosphoshikimate
S23 (= S16) binding 3-phosphoshikimate
R27 (= R20) binding 3-phosphoshikimate
S170 (≠ P168) binding 3-phosphoshikimate
S171 (= S169) binding 3-phosphoshikimate
S198 (= S195) binding 3-phosphoshikimate
D314 (≠ N316) binding 3-phosphoshikimate
N337 (≠ E342) binding 3-phosphoshikimate
K341 (= K346) binding 3-phosphoshikimate

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, 97% coverage: 12:432/434 of query aligns to 412:839/1583 of P07547

query
sites
P07547

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

A

A

L

L

A

G

D

S

G

G

T

T

T

C

E

R

I

I

S

K

N

N

F

L

S

L

G

H

G

S

F

D

D

D

N

T

Q

E

S

V

T

M

L

L

G

N

V

A

L

L

Q

E

A

R

C

L

G

G

I

A

R

A

L

T

S

F

Q

S

D

W

I

E

V

E

Q

E

G

G

A

-

D

-

G

-

R

-

Q

-

T

-

R

E

H

V

V

L

V

V

L

V

H

N

S

G

S

K

G

G

L

-

W

G

S

N

F

L

S

Q

A

A

P

S

D

S

A

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

-

T

-

V

A

A

G

T

I

L

L

A

A

N

G

S

Q

S

P

T

F

V

D

D

S

S

T

S

-

V

L

L

V

T

G

G

D

N

N

N

S

R

L

M

M

K

K

Q

R

R

P

P

M

I

K

G

R

D

I

L

A

V

D

D

P

A

L

L

R

T

R

A

M

N

G

G

A

A

G

S

I

I

S

E

-

Y

L

V

S

E

P

R

D

T

G

G

T

S

A

L

P

P

V

L

G

K

I

I

N

A

G

A

T

S

R

G

D

G

L

F

K

A

P

G

I

G

T

N

Y

I

E

N

L

L

P

A

M

A

P

K

-

V

S

S

A

S

Q

Q

V

Y

K

V

S

S

L

S

V

L

A

L

F

M

A

C

A

A

L

P

H

Y

A

A

D

K

G

-

E

E

S

P

R

V

V

T

I

L

E

R

T

L

L

V

P

G

S

G

R

K

N

P

H

I

T

S

E

Q

L

P

M

Y

L

I

D

D

L

M

K

T

T

T

E

A

A

M

L

M

S

R

-

S

-

F

-

G

-

I

D

D

G

V

R

Q

R

K

A

S

V

T

I

T

-

E

-

H

-

T

-

Y

-

H

I

I

P

P

G

Q

G

G

K

R

S

Y

L

V

E

N

A

P

R

A

P

E

F

Y

H

V

I

I

P

E

A

S

D

D

P

A

S

S

A

S

A

A

C

T

F

Y

M

P

I

L

A

A

L

V

G

A

L

-

L

A

V

V

P

T

G

G

S

T

E

T

I

C

L

T

L

V

R

P

D

N

V

I

-

G

-

S

-

A

C

S

L

L

N

Q

P

G

T

D

R

A

A

R

G

F

Y

A

I

V

E

E

L

V

L

L

I

R

G

P

A

M

G

G

A

C

D

T

I

V

-

E

G

Q

F

T

E

E

N

T

R

S

R

T

V

T

I

V

G

T

G

G

E

P

T

S

I

D

G

G

D

I

I

L

V

R

V

P

R

L

Y

P

S

N

G

V

S

D

V

M

E

E

P

P

L

M

R

-

I

-

D

-

E

-

P

-

S

-

I

-

V

-

A

-

N

-

I

-

I

T

D

D

E

A

I

F

P

L

M

G

L

A

A

S

V

V

F

L

S

A

A

A

C

I

A

A

T

R

A

G

E

K

F

E

E

S

L

N

H

H

H

T

A

T

-

R

-

I

-

Y

-

G

-

I

A

A

E

N

L

Q

R

R

T

V

K

K

E

E

S

C

D

N

R

R

I

I

S

K

A

A

V

M

V

K

S

D

N

E

L

L

Q

A

R

K

L

F

G

G

F

V

L

I

C

C

E

R

E

E

F

H

P

D

D

D

G

G

F

L

A

E

V

I

K

D

G

G

-

I

-

D

-

R

-

S

R

N

Q

L

R

R

V

Q

P

P

S

V

G

G

K

G

V

V

I

F

L

-

E

-

S

C

Y

Y

D

D

H

H

R

R

I

V

A

A

M

F

S

S

F

F

A

S

I

V

A

L

D

S

K

L

A

V

L

T

E

P

S

Q

E

P

L

T

E

L

I

I

S

L

D

E

R

K

E

E

I

C

I

V

G

G

V

K

S

T

F

W

P

P

N

G

F

W

D

D

I

T

I

L

E

R

S

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)
25% identity, 97% coverage: 12:432/434 of query aligns to 405:827/1555 of 6hqvA

query
sites
6hqvA

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

A

A

L

L

A

G

D

E

G

G

T

T

E

R

I

I

S

H

N

G

F

L

S

L

G

H

G

S

F

D

D

D

N

V

Q

Q

S

Y

T

M

L

L

G

A

V

A

L

I

-

E

Q

Q

A

L

C

H

G

G

I

A

R

D

L

F

S

S

Q

W

D

E

-

D

-

A

-

G

-

E

-

I

-

L

I

V

V

V

Q

T

G

G

A

K

D

G

G

G

R

K

Q

-

T

-

R

-

H

-

V

-

L

-

H

-

S

-

G

-

L

-

W

-

S

-

F

L

S

Q

A

A

P

S

D

K

A

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

G

P

Q

S

P

A

F

V

D

S

S

S

T

T

L

V

V

L

G

T

D

G

N

N

S

A

L

R

M

M

K

K

-

V

R

R

P

P

M

I

K

G

R

A

I

L

A

V

D

D

P

A

L

L

R

R

R

A

M

N

G

G

A

V

G

G

I

V

S

K

-

Y

L

L

S

E

P

K

D

E

G

K

T

S

A

L

P

P

V

V

G

E

I

V

N

D

G

A

T

A

R

G

D

G

L

F

K

A

P

G

I

G

T

V

Y

I

E

E

L

L

P

A

M

A

P

T

-

V

S

S

A
x
S

Q
|
Q

V

Y

K

V

S

S

L

S

V

I

A

L

F

M

A

A

L

P

H

Y

A

A

D

H

G

Q

E

P

S

V

-

T

-

L

R

R

V

L

I

V

E

G

T

G

L

K

P

P

-

I

S

S

R

Q

N

P

H

Y

T

I

E

D

L

M

M

T

L

I

D

A

L

M

-

M

-

A

-

S

-

F

-

G

-

I

K

K

T

V

E

E

A

R

L

S

S

A

D

E

G

D

R

P

R

N

A

T

V

Y

I

L

I

I

P

P

G

K

G

G

K

V

S

Y

L

K

E

N

A

P

R

P

P

E

F

Y

H

V

I

V

P

E

A

S

D

D

P

A

S

S

A

S

A

A

C

T

F

Y

M

P

I

L

A

A

L

V

G

A

L

A

L

I

-

T

-

G

-

T

-

C

-

T

V

I

P

P

-

N

-

I

G

G

S

S

E

E

I

S

L

L

L

Q

R

G

D

D

V

A

C

R

L

F

N

A

P

-

T

-

R

-

A

-

G

-

Y

-

I

V

E

E

L

V

L

L

I

R

G

P

A

M

G

G

A

C

D

A

I

V

-

E

G

Q

F

T

E

A

N

T

R

S

R

T

V

T

I

V

G

T

G

G

E

P

T

P

I

I

G

G

D

T

I

L

V

K

V

A

R

I

Y

P

S

H

G

V

S

D

V

M

E

E

P

P

L

M

R

-

I

-

D

-

E

-

P

-

S

-

I

-

V

-

A

-

N

-

I

-

I

T

D

D

E

A

I

F

P

L

M

T

L

A

A

A

V

V

F

L

S

A

A

A

C

V

A

A

T

D

A

G

E

T

F

T

E

Q

L

I

H

T

H

G

A

I

A

A

E

N

L

Q

R

R

T

V

K

K

E

E

S

C

D

N

R

R

I

I

S

A

A

A

V

M

V

K

S

D

N

Q

L

L

Q

A

R

K

L

F

G

G

F

V

L

Q

C

C

E

N

E

E

F

L

P

E

D

D

G

G

F

I

A

E

V

V

K

I

G

G

R

K

-

P

-

Y

Q

Q

R

E

V

L

P

R

S

N

G

P

K

V

V

E

I

G

L

I

E

Y

S

C

Y

Y

D

D

H

H

R

R

I

V

A

A

M

M

S

S

F

H

A

S

I

V

A

L

D

S

K

T

A

I

L

S

E

P

S

H

E

P

L

V

E

L

I

I

S

L

D

E

R

R

E

E

I

C

I

T

G

A

V

K

S

T

F

W

P

P

N

G

F

W

D

D

I

I

I

L

E

S

S

Q

L

F

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: R413 (= R20), S562 (≠ A170), Q563 (= Q171)

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

7tm5B Crystal structure of shikimate-3-phosphate bound 3-phosphoshikimate 1- carboxyvinyltransferase from klebsiella pneumoniae
25% identity, 96% coverage: 10:427/434 of query aligns to 17:418/427 of 7tm5B

query
sites
7tm5B

N

N

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

A

A

L

L

A

A

D

R

G

G

T

T

E

V

I

L

S

T

N

N

F

L

S

L

G

D

G

S

F

D

D

D

N

V

Q

R

S

H

T

M

L

L

G

N

V

A

L

L

Q

S

A

A

C

L

G

G

I

V

R

Q

-

Y

-

T

L

L

S

S

Q

A

D

D

I

-

V

-

Q

-

G

-

A

-

D

-

G

-

R

-

Q

R

T

T

R

R

H

C

V

E

V

V

L

T

H

G

S

N

S

G

G

G

L

P

W

L

S

R

F

-

S

S

A

A

P

A

D

A

A

L

P

E

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

G

L

Q

G

P

S

F

N

D

D

S

I

T

V

L

L

V

T

G

G

D

E

N

P

S

R

L

M

M

K

K

E

R

R

P

P

M

I

K

G

R

H

I

L

A

V

D

D

P

A

L

L

R

R

R

Q

M

G

G

G

A

A

G

Q

I

I

S

D

-

C

L

L

S

E

P

Q

D

E

G

N

T

Y

A

P

P

P

V

L

G

R

I

L

N

R

G

G

T

G

R

F

D

Q

L

G

K

G

P

N

I

V

T

E

Y

V

E

D

L

G

P

S

M

V

P
x
S

S
|
S

A
x
Q

Q

F

V

L

K

T

S

A

L

L

V

L

A

M

F

T

A

A

A

P

L

L

H

A

A

P

D

Q

G

D

E

T

S

V

R

I

V

V

I

I

E

K

-

G

T

D

L

L

P

V

S
|
S

R

K

N

P

H
x
Y

T

I

E

D

L

I

M

T

L

L

D

H

L

L

-

M

K

K

T

T

-

F

-

G

-

V

E

E

A

V

L

D

S

N

D

Q

G

S

R

Y

R

Q

A

R

V

F

I

V

P

R

G

G

G

K

K

Q

S

Q

L

Y

E

Q

A

S

-

P

R

G

P

D

F

Y

H

L

I

V

P

E

A

G

D

D

P

A

S

S

A

S

A

A

C

S

F

Y

M

F

I

L

A

A

L

A

G

G

L

-

L

A

V

I

P

K

G

G

S

G

E

T

I

V

L

K

L

V

R

T

D

G

V

I

C

G

L

R

N

N

P

S

T

V

R

Q

A

G

G

D

-

I

-

R

Y

F

I

A

E

D

L

V

L

L

I

E

G

K

A

M

G

G

A

A

D

T

I

V

G

T

F

W

E

G

N

D

R

-

V

-

I

-

G

-

E

-

T

-

I

-

G

-

D

D

I

F

V

I

V

A

R

C

Y

T

S

H

G

G

S

E

V

L

E

K

P

A

L

V

R

D

I

M

D

D

E

-

P

-

S

-

I

-

V

M

A

N

N

H

I

I

I

P

D
|
D

E

A

I

A

P

M

M

T

L

I

A

A

V

T

F

A

S

A

A

L

C

F

A

A

T

Q

A

G

E

T

F

T

E

T

L

L

H

R

H

N

A

I

A

Y

E
x
N

L

W

R

R

T

V

K
|
K

E

E

S

T

D

D

R

R

I

L

S

F

A

A

V

M

V

A

S

T

N

E

L

L

Q

R

R

K

L

V

G

G

F

A

L

E

C

V

E

E

F

G

P

E

D

D

G

Y

F

I

A

R

V

I

K

T

G

P

R

P

Q

A

R

K

V

L

P

K

S

Y

G

A

K

E

V

I

I

-

L

-

E

G

S

T

Y

Y

D

N

D

D

H

H

R

R

I

M

A

A

M

M

S

C

F

F

A

S

I

L

A

V

D

A

K

L

A

S

L

-

E

D

S

T

E

P

L

V

E

T

I

I

S

L

D

D

R

P

E

K

I

C

I

T

G

A

V

K

S

T

F

F

P

P

N

D

F

Y

F

F

D

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)

7tm6A Crystal structure of shikimate-3-phosphate and glyphosate bound 3- phosphoshikimate 1-carboxyvinyltransferase from klebsiella pneumoniae
25% identity, 96% coverage: 10:427/434 of query aligns to 16:417/426 of 7tm6A

query
sites
7tm6A

N

N

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

A

A

L

L

A

A

D

R

G

G

T

T

E

V

I

L

S

T

N

N

F

L

S

L

G

D

G

S

F

D

D

D

N

V

Q

R

S

H

T

M

L

L

G

N

V

A

L

L

Q

S

A

A

C

L

G

G

I

V

R

Q

-

Y

-

T

L

L

S

S

Q

A

D

D

I

-

V

-

Q

-

G

-

A

-

D

-

G

-

R

-

Q

R

T

T

R

R

H

C

V

E

V

V

L

T

H

G

S

N

S

G

G

G

L

P

W

L

S

R

F

-

S

S

A

A

P

A

D

A

A

L

P

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

G

L

Q

G

P

S

F

N

D

D

S

I

T

V

L

L

V

T

G

G

D

E

N

P

S

R

L

M

M

K

K

E

R
|
R

P

P

M

I

K

G

R

H

I

L

A

V

D

D

P

A

L

L

R

R

R

Q

M

G

G

G

A

A

G

Q

I

I

S

D

-

C

L

L

S

E

P

Q

D

E

G

N

T

Y

A

P

P

P

V

L

G

R

I

L

N

R

G

G

T

G

R

F

D

Q

L

G

K

G

P

N

I

V

T

E

Y

V

E

D

L

G

P

S

M

V

P
x
S

S
|
S

A
x
Q

Q

F

V

L

K

T

S

A

L

L

V

L

A

M

F

T

A

A

A

P

L

L

H

A

A

P

D

Q

G

D

E

T

S

V

R

I

V

V

I

I

E

K

-

G

T

D

L

L

P

V

S
|
S

R

K

N

P

H
x
Y

T

I

E

D

L

I

M

T

L

L

D

H

L

L

-

M

K

K

T

T

-

F

-

G

-

V

E

E

A

V

L

D

S

N

D

Q

G

S

R

Y

R

Q

A

R

V

F

I

V

P

R

G

G

G

K

K

Q

S

Q

L

Y

E

Q

A

S

-

P

R

G

P

D

F

Y

H

L

I

V

P

E

A

G

D

D

P

A

S

S

A

S

A

A

C

S

F

Y

M

F

I

L

A

A

L

A

G

G

L

-

L

A

V

I

P

K

G

G

S

G

E

T

I

V

L

K

L

V

R

T

D

G

V

I

C

G

L

R

N

N

P

S

T

V

R

Q

A

G

G

D

-

I

-

R

Y

F

I

A

E

D

L

V

L

L

I

E

G

K

A

M

G

G

A

A

D

T

I

V

G

T

F

W

E

G

N

D

R

-

V

-

I

-

G

-

E

-

T

-

I

-

G

-

D

D

I

F

V

I

V

A

R

C

Y

T

S

H

G

G

S

E

V

L

E

K

P

A

L

V

R

D

I

M

D

D

E

-

P

-

S

-

I

-

V

M

A

N

N

H

I

I

I

P

D
|
D

E

A

I

A

P

M

M

T

L

I

A

A

V

T

F

A

S

A

A

L

C

F

A

A

T

Q

A

G

E

T

F

T

E

T

L

L

H

R

H

N

A

I

A

Y

E
x
N

L

W

R

R

T

V

K
|
K

E
|
E

S

T

D

D

R
|
R

I

L

S

F

A

A

V

M

V

A

S

T

N

E

L

L

Q

R

R

K

L

V

G

G

F

A

L

E

C

V

E

E

F

G

P

E

D

D

G

Y

F

I

A

R

V

I

K

T

G

P

R

P

Q

A

R

K

V

L

P

K

S

Y

G

A

K

E

V

I

I

-

L

-

E

G

S

T

Y

Y

D

N

D

D

H
|
H

R
|
R

I

M

A

A

M

M

S

C

F

F

A

S

I

L

A

V

D

A

K

L

A

S

L

-

E

D

S

T

E

P

L

V

E

T

I

I

S

L

D

D

R

P

E

K

I

C

I

T

G

A

V

K

S

T

F

F

P

P

N

D

F

Y

F

F

D

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)

2pq9A E. Coli epsps liganded with (r)-difluoromethyl tetrahedral reaction intermediate analog (see paper)
24% identity, 98% coverage: 8:434/434 of query aligns to 15:425/427 of 2pq9A

query
sites
2pq9A

V

T

F

I

N

N

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

A

A

L

L

A

A

D

H

G

G

T

K

T

T

E

V

I

L

S

T

N

N

F

L

S

L

G

D

G

S

F

D

D
|
D

N

V

Q

R

S

H

T

M

L

L

G

N

V

A

L

L

Q

T

A

A

C

L

G

G

I

V

R

S

-

Y

-

T

L

L

S

S

Q

A

D

D

I

-

V

-

Q

-

G

-

A

-

D

-

G

-

R

-

Q

R

T

T

R

R

H

C

V

E

V

I

L

I

H

G

S

N

S

G

G

G

L

-

W

-

S

P

F

L

S

H

A

A

P

E

D

G

A

A

-

L

P

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

G

L

Q

G

P

S

F

N

D

D

S

I

T

V

L

L

V

T

G

G

D

E

N
x
P

S

R

L

M

M

K

K

E

R
|
R

P

P

M

I

K

G

R

H

I

L

A

V

D

D

P

A

L

L

R

R

R

L

M

G

G

G

A

A

G

K

I

I

S

T

-

Y

L

L

S

E

P

Q

D

E

G

N

T

Y

A

P

P

P

V

L

G

R

I

L

N

Q

G

G

T

G

R

F

D

T

L

G

K

G

P

N

I

V

T

D

Y

V

E

D

L

G

P

S

M

V

P
x
S

S
|
S

A
x
Q

Q

F

V

L

K

T

S

A

L

L

V

L

A

M

F

T

A

A

A

P

L

L

H

A

-

P

A

E

D

D

G

T

E

V

S

I

R

R

V

I

I

K

E

G

T

D

L

L

P

V

S
|
S

R

K

N

P

H
x
Y

T

I

E

D

L

I

M

T

L

L

D

N

L

L

-

M

K

K

T

T

-

F

-

G

-

V

E

E

A

I

L

E

S

N

D

Q

G

H

R

Y

R

Q

A

Q

V

F

I

V

P

K

G

G

K

Q

S

S

L

Y

E

Q

A

S

-

P

R

G

P

T

F

Y

H

L

I

V

P

E

A

G

D

D

P

A

S

S

A

S

A

A

C

S

F

Y

M

F

I

L

A

A

L

-

G

A

L

A

V

I

P

K

G

G

S

G

E

T

I

V

L

K

L

V

R

T

D

G

V

I

C

G

L

R

N

N

P

S

T

M

R

Q

A

G

G

D

-

I

-

R

Y

F

I

A

E

D

L

V

L

L

I

E

G

K

A

M

G

G

A

A

D

T

I

I

G

C

F

W

E

G

N

D

R

-

V

-

I

-

G

-

E

-

T

-

I

-

G

-

D

D

I

Y

V

I

V

S

R

C

Y

T

S

R

G

G

S

E

V

L

E

N

P

A

L

I

R

D

I

M

D

D

E

-

P

-

S

-

I

-

V

M

A

N

N

H

I

I

I

P

D
|
D

E

A

I

A

P

M

M

T

L

I

A

A

V

T

F

A

S

A

A

L

C

F

A

A

T

K

A

G

E

T

F

T

E

T

L

L

H

R

H

N

A

I

A

Y

E
x
N

L

W

R

R

T

V

K
|
K

E
|
E

S

T

D

D

R
|
R

I

L

S

F

A

A

V

M

V

A

S

T

N

E

L

L

Q

R

R

K

L

V

G

G

F

A

L

E

C

V

E

E

F

G

P

H

D

D

G

Y

F

I

A

R

V

I

K

T

G

P

R

P

Q

E

R

K

V

L

P

N

S

F

G

A

K

E

V

I

I

-

L

-

E

A

S

T

Y

Y

D

N

D

D

H
|
H

R
|
R

I

M

A

A

M

M

S

C

F

F

A

S

I

L

A

V

D

A

K

L

A

S

L

-

E

D

S

T

E

P

L

V

E

T

I

I

S

L

D

D

R

P

E

K

I

C

I

T

G

A

V
x
K

S

T

F

F

P

P

N

D

F

Y

F

F

D

E

I

Q

I

L

E

A

S

R

L

I

R

S

Q

Q

active site: K22 (= K15), S23 (= S16), D49 (= D42), N94 (= N94), P119 (≠ N119), 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, 98% coverage: 8:434/434 of query aligns to 15:425/427 of 2aa9A

query
sites
2aa9A

V

T

F

I

N

N

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

A

A

L

L

A

A

D

H

G

G

T

K

T

T

E

V

I

L

S

T

N

N

F

L

S

L

G

D

G

S

F

D

D
|
D

N

V

Q

R

S

H

T

M

L

L

G

N

V

A

L

L

Q

T

A

A

C

L

G

G

I

V

R

S

-

Y

-

T

L

L

S

S

Q

A

D

D

I

-

V

-

Q

-

G

-

A

-

D

-

G

-

R

-

Q

R

T

T

R

R

H

C

V

E

V

I

L

I

H

G

S

N

S

G

G

G

L

-

W

-

S

P

F

L

S

H

A

A

P

E

D

G

A

A

-

L

P

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

G

L

Q

G

P

S

F

N

D

D

S

I

T

V

L

L

V

T

G

G

D

E

N
x
P

S

R

L

M

M

K

K

E

R
|
R

P

P

M

I

K

G

R

H

I

L

A

V

D

D

P

A

L

L

R

R

R

L

M

G

G

G

A

A

G

K

I

I

S

T

-

Y

L

L

S

E

P

Q

D

E

G

N

T

Y

A

P

P

P

V

L

G

R

I

L

N

Q

G

G

T

G

R

F

D

T

L

G

K

G

P

N

I

V

T

D

Y

V

E

D

L

G

P

S

M

V

P

S

S

S

A
x
Q

Q

F

V

L

K

T

S

A

L

L

V

L

A

M

F

T

A

A

A

P

L

L

H

A

-

P

A

E

D

D

G

T

E

V

S

I

R

R

V

I

I

K

E

G

T

D

L

L

P

V

S

S

R

K

N

P

H
x
Y

T

I

E

D

L

I

M

T

L

L

D

N

L

L

-

M

K

K

T

T

-

F

-

G

-

V

E

E

A

I

L

E

S

N

D

Q

G

H

R

Y

R

Q

A

Q

V

F

I

V

P

K

G

G

K

Q

S

S

L

Y

E

Q

A

S

-

P

R

G

P

T

F

Y

H

L

I

V

P

E

A

G

D

D

P

A

S

S

A

S

A

A

C

S

F

Y

M

F

I

L

A

A

L

-

G

A

L

A

V

I

P

K

G

G

S

G

E

T

I

V

L

K

L

V

R

T

D

G

V

I

C

G

L

R

N

N

P

S

T

M

R

Q

A

G

G

D

-

I

-

R

Y

F

I

A

E

D

L

V

L

L

I

E

G

K

A

M

G

G

A

A

D

T

I

I

G

C

F

W

E

G

N

D

R

-

V

-

I

-

G

-

E

-

T

-

I

-

G

-

D

D

I

Y

V

I

V

S

R

C

Y

T

S

R

G

G

S

E

V

L

E

N

P

A

L

I

R

D

I

M

D

D

E

-

P

-

S

-

I

-

V

M

A

N

N

H

I

I

I

P

D
|
D

E

A

I

A

P

M

M

T

L

I

A

A

V

T

F

A

S

A

A

L

C

F

A

A

T

K

A

G

E

T

F

T

E

T

L

L

H

R

H

N

A

I

A

Y

E

N

L

W

R

R

T

V

K
|
K

E
|
E

S

T

D

D

R

R

I

L

S

F

A

A

V

M

V

A

S

T

N

E

L

L

Q

R

R

K

L

V

G

G

F

A

L

E

C

V

E

E

F

G

P

H

D

D

G

Y

F

I

A

R

V

I

K

T

G

P

R

P

Q

E

R

K

V

L

P

N

S

F

G

A

K

E

V

I

I

-

L

-

E

A

S

T

Y

Y

D

N

D

D

H
|
H

R
|
R

I

M

A

A

M

M

S

C

F

F

A

S

I

L

A

V

D

A

K

L

A

S

L

-

E

D

S

T

E

P

L

V

E

T

I

I

S

L

D

D

R

P

E

K

I

C

I

T

G

A

V
x
K

S

T

F

F

P

P

N

D

F

Y

F

F

D

E

I

Q

I

L

E

A

S

R

L

I

R

S

Q

Q

active site: K22 (= K15), S23 (= S16), D49 (= D42), N94 (= N94), P119 (≠ N119), 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_012506487.1 NCBI__GCF_000020625.1:WP_012506487.1
MTAYKGEVFNLPPDKSISHRAALIGALADGTTEISNFSGGFDNQSTLGVLQACGIRLSQD
IVQGADGRQTRHVVLHSSGLWSFSAPDAPLMCNNSGSTMRMFAGILAGQPFDSTLVGDNS
LMKRPMKRIADPLRRMGAGISLSPDGTAPVGINGTRDLKPITYELPMPSAQVKSLVAFAA
LHADGESRVIETLPSRNHTELMLDLKTEALSDGRRAVIIPGGKSLEARPFHIPADPSAAC
FMIALGLLVPGSEILLRDVCLNPTRAGYIELLIGAGADIGFENRRVIGGETIGDIVVRYS
GSVEPLRIDEPSIVANIIDEIPMLAVFSACATAEFELHHAAELRTKESDRISAVVSNLQR
LGFLCEEFPDGFAVKGRQRVPSGKVILESYDDHRIAMSFAIADKALESELEISDREIIGV
SFPNFFDIIESLRQ

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