SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012113130.1 NCBI__GCF_000017645.1:WP_012113130.1 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)

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)
61% identity, 97% coverage: 13:455/456 of query aligns to 3:447/455 of Q9R4E4

query
sites
Q9R4E4

H

H

G

G

D

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G

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E

A

A

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D

F

F

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x
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S29 (= S40) binding 3-phosphoshikimate
R33 (= R44) binding 3-phosphoshikimate
A100 (≠ G112) mutation to G: Confers sensitivity to glyphosate allowing glyphosate to bind in its extended, inhibitory conformation.
S173 (= S186) binding 3-phosphoshikimate
A174 (= A187) binding 3-phosphoshikimate
Q175 (= Q188) binding 3-phosphoshikimate
D326 (= D339) binding 3-phosphoshikimate
K353 (= K366) binding 3-phosphoshikimate

2pqcA Cp4 epsps liganded with (r)-phosphonate tetrahedral reaction intermediate analog (see paper)
62% identity, 96% coverage: 18:455/456 of query aligns to 2:442/445 of 2pqcA

query
sites
2pqcA

A

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active site: K23 (= K39), S24 (= S40), D50 (= D66), N93 (= N110), R123 (= R140), D321 (= D339), E349 (= E367), H399 (= H412), R400 (= R413), T426 (= T439)
binding [3r-[3a,4a,5b(r*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid: K23 (= K39), S24 (= S40), R28 (= R44), T96 (= T113), R123 (= R140), S168 (= S186), Q170 (= Q188), D321 (= D339), K348 (= K366), E349 (= E367), R352 (= R370), R400 (= R413)

2pqbA Cp4 epsps liganded with (r)-difluoromethyl tetrahedral intermediate analog (see paper)
62% identity, 96% coverage: 18:455/456 of query aligns to 2:442/445 of 2pqbA

query
sites
2pqbA

A

S

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L

L

A

K

A

L

C

N

G

G

V

V

A

D

H

C

E

D

V

E

V

G

G

E

D

T

D

S

L

L

L

V

V

V

T

R

G

G

A

R

T

P

T

D

V

G

K

K

G

G

-

L

-

G

-

N

-

A

-

S

G

G

G

A

P

A

V

V

A

A

T

T

H

H

M

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

S

F

F

L

L

V

V

L

M

G

G

L

L

A

V

S

S

E

E

Q

N

G

P

V

V

S

T

V

V

D

D

V

A

A

T

F

M

I

I

A

A

T
|
T

S

S

F

F

P

P

T

E

F

F

M

M

P

D

M

L

M

M

R

A

G

G

L

L

G

G

A

A

V

K

I

I

active site: K23 (= K39), S24 (= S40), D50 (= D66), N93 (= N110), R123 (= R140), D321 (= D339), E349 (= E367), H399 (= H412), R400 (= R413), T426 (= T439)
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 (= K39), S24 (= S40), R28 (= R44), A95 (≠ G112), T96 (= T113), R123 (= R140), S168 (= S186), Q170 (= Q188), D321 (= D339), K348 (= K366), E349 (= E367), R352 (= R370), R400 (= R413)

2ggaA Cp4 epsp synthase liganded with s3p and glyphosate (see paper)
62% identity, 96% coverage: 18:455/456 of query aligns to 2:442/445 of 2ggaA

query
sites
2ggaA

A

S

Q

R

P

P

A

A

T

T

A

A

L

R

R

K

S

S

P

S

A

G

L

L

T

S

G

G

R

T

V

V

R

R

V

I

P

P

G

G

D

D

K
|
K

S
|
S

V

I

S

S

H

H

R
|
R

A

S

L

F

I

M

F

F

G

G

L

G

F

L

A

A

E

S

G

G

I

E

T

T

R

R

I

I

T

T

G

G

L

L

E

E

G

G

E

E

D
|
D

V

V

L

I

N

N

T

T

A

G

K

K

A

A

C

M

A

Q

A

A

L

M

G

G

A

A

R

R

V

I

T

R

R

K

R

E

G

G

P

-

G

D

E

T

W

W

E

I

V

I

E

D

G

G

A

V

G

G

A

N

D

G

G

G

L

L

S

L

S

A

P

P

A

E

A

A

P

P

L

L

D

D

F

F

G

G

N
|
N

S
x
A

G
x
A

T
|
T

G

G

V

C

R

R

L

L

M

T

M

M

G

G

A

L

V

V

A

G

G

V

Q

Y

D

D

V

F

T

D

A

S

T

T

F

F

D

I

G

G

D

D

A

A

S

S

L

L

R

T

R

K

R
|
R

P

P

M

M

K

G

R

R

V

V

L

L

D

N

P

P

L

L

T

R

A

E

M

M

G

G

V

V

E

Q

I

-

V

V

D

K

S

S

A

E

E

D

G

G

G

D

R

R

L

L

P

P

L

V

T

T

L

L

K

R

G

G

S

P

D

K

R

T

T

P

K

T

A

P

I

I

T

T

Y

Y

E

R

T

V

P

P

M

M

P

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

A

A

V

V

L

L

A

A

G

G

L

L

G

N

A

T

A

P

G

G

E

I

T

T

V

T

V

V

I

I

E

E

R

P

E

I

A

M

T

T

R
|
R

D

D

H

H

T

T

E

E

R

K

M

M

L

L

A

Q

H

G

F

F

G

G

A

A

D

N

V

L

R

T

V

V

E

E

P

T

H

D

G

A

A

D

H

G

G

V

R

R

R

T

I

I

A

R

L

L

K

E

G

G

R

R

P

G

T

K

L

L

V

T

A

G

A

Q

P

V

V

I

D

D

V

V

P

P

A

G

D

D

P

P

S

S

A

T

A

A

F

F

P

P

L

L

V

V

A

A

L

L

I

L

V

V

P

P

G

G

S

S

D

D

V

V

T

T

L

I

T

L

D

N

V

V

M

L

M

M

N

N

P

P

L

T

R

R

T

T

G

G

L

L

I

I

T

L

T

T

L

L

L

Q

E

E

M

M

G

G

A

A

S

D

I

I

E

E

V

V

V

I

A

N

E

P

R

R

T

L

E

A

G

G

E

E

R

D

V

V

A

A

D

D

L

L

R

R

V

V

R

R

H

S

S

S

R

T

L

L

K

K

G

G

V

V

E

T

V

V

P

P

P

E

E

D

R

R

A

A

P

P

A

S

M

M

I

I

D
|
D

E

E

Y

Y

P

P

I

I

L

L

A

A

V

V

A

A

F

F

A

A

E

E

G

G

V

A

T

T

A

V

M

M

R

N

G

G

L

L

S

E

E

E

L

L

R

R

V

V

K
|
K

E
|
E

S

S

D

D

R
|
R

L

L

A

S

A

A

V

V

A

A

D

N

G

G

L

L

A

K

A

L

C

N

G

G

V

V

A

D

H

C

E

D

V

E

V

G

G

E

D

T

D

S

L

L

L

V

V

V

T

R

G

G

A

R

T

P

T

D

V

G

K

K

G

G

-

L

-

G

-

N

-

A

-

S

G

G

G

A

P

A

V

V

A

A

T

T

H

H

M

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

S

F

F

L

L

V

V

L

M

G

G

L

L

A

V

S

S

E

E

Q

N

G

P

V

V

S

T

V

V

D

D

V

A

A

T

F

M

I

I

A

A

T
|
T

S

S

F

F

P

P

T

E

F

F

M

M

P

D

M

L

M

M

R

A

G

G

L

L

G

G

A

A

V

K

I

I

active site: K23 (= K39), S24 (= S40), D50 (= D66), N93 (= N110), R123 (= R140), D321 (= D339), E349 (= E367), H399 (= H412), R400 (= R413), T426 (= T439)
binding glyphosate: K23 (= K39), A94 (≠ S111), A95 (≠ G112), T96 (= T113), R123 (= R140), D321 (= D339), E349 (= E367), R352 (= R370), R400 (= R413)
binding shikimate-3-phosphate: S24 (= S40), R28 (= R44), S168 (= S186), A169 (= A187), Q170 (= Q188), R195 (= R213), D321 (= D339), K348 (= K366)

2gg6A Cp4 epsp synthase liganded with s3p (see paper)
62% identity, 96% coverage: 18:455/456 of query aligns to 2:442/445 of 2gg6A

query
sites
2gg6A

A

S

Q

R

P

P

A

A

T

T

A

A

L

R

R

K

S

S

P

S

A

G

L

L

T

S

G

G

R

T

V

V

R

R

V

I

P

P

G

G

D

D

K
|
K

S
|
S

V

I

S

S

H

H

R
|
R

A

S

L

F

I

M

F

F

G

G

L

G

F

L

A

A

E

S

G

G

I

E

T

T

R

R

I

I

T

T

G

G

L

L

E

E

G

G

E

E

D
|
D

V

V

L

I

N

N

T

T

A

G

K

K

A

A

C

M

A

Q

A

A

L

M

G

G

A

A

R

R

V

I

T

R

R

K

R

E

G

G

P

-

G

D

E

T

W

W

E

I

V

I

E

D

G

G

A

V

G

G

A

N

D

G

G

G

L

L

S

L

S

A

P

P

A

E

A

A

P

P

L

L

D

D

F

F

G

G

N
|
N

S

A

G

A

T
|
T

G

G

V

C

R

R

L

L

M

T

M

M

G

G

A

L

V

V

A

G

G

V

Q

Y

D

D

V

F

T

D

A

S

T

T

F

F

D

I

G

G

D

D

A

A

S

S

L

L

R

T

R

K

R
|
R

P

P

M

M

K

G

R

R

V

V

L

L

D

N

P

P

L

L

T

R

A

E

M

M

G

G

V

V

E

Q

I

-

V

V

D

K

S

S

A

E

E

D

G

G

G

D

R

R

L

L

P

P

L

V

T

T

L

L

K

R

G

G

S

P

D

K

R

T

T

P

K

T

A

P

I

I

T

T

Y

Y

E

R

T

V

P

P

M

M

P

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

A

A

V

V

L

L

A

A

G

G

L

L

G

N

A

T

A

P

G

G

E

I

T

T

V

T

V

V

I

I

E

E

R

P

E

I

A

M

T

T

R

R

D

D

H

H

T

T

E

E

R

K

M

M

L

L

A

Q

H

G

F

F

G

G

A

A

D

N

V

L

R

T

V

V

E

E

P

T

H

D

G

A

A

D

H

G

G

V

R

R

R

T

I

I

A

R

L

L

K

E

G

G

R

R

P

G

T

K

L

L

V

T

A

G

A

Q

P

V

V

I

D

D

V

V

P

P

A

G

D

D

P

P

S

S

A

T

A

A

F

F

P

P

L

L

V

V

A

A

L

L

I

L

V

V

P

P

G

G

S

S

D

D

V

V

T

T

L

I

T

L

D

N

V

V

M

L

M

M

N

N

P

P

L

T

R

R

T

T

G

G

L

L

I

I

T

L

T

T

L

L

L

Q

E

E

M

M

G

G

A

A

S

D

I

I

E

E

V

V

V

I

A

N

E

P

R

R

T

L

E

A

G

G

E

E

R

D

V

V

A

A

D

D

L

L

R

R

V

V

R

R

H

S

S

S

R

T

L

L

K

K

G

G

V

V

E

T

V

V

P

P

P

E

E

D

R

R

A

A

P

P

A

S

M

M

I

I

D
|
D

E

E

Y

Y

P

P

I

I

L

L

A

A

V

V

A

A

F

F

A

A

E

E

G

G

V

A

T

T

A

V

M

M

R

N

G

G

L

L

S

E

E

E

L

L

R

R

V

V

K
|
K

E
|
E

S

S

D

D

R

R

L

L

A

S

A

A

V

V

A

A

D

N

G

G

L

L

A

K

A

L

C

N

G

G

V

V

A

D

H

C

E

D

V

E

V

G

G

E

D

T

D

S

L

L

L

V

V

V

T

R

G

G

A

R

T

P

T

D

V

G

K

K

G

G

-

L

-

G

-

N

-

A

-

S

G

G

G

A

P

A

V

V

A

A

T

T

H

H

M

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

S

F

F

L

L

V

V

L

M

G

G

L

L

A

V

S

S

E

E

Q

N

G

P

V

V

S

T

V

V

D

D

V

A

A

T

F

M

I

I

A

A

T
|
T

S

S

F

F

P

P

T

E

F

F

M

M

P

D

M

L

M

M

R

A

G

G

L

L

G

G

A

A

V

K

I

I

active site: K23 (= K39), S24 (= S40), D50 (= D66), N93 (= N110), R123 (= R140), D321 (= D339), E349 (= E367), H399 (= H412), R400 (= R413), T426 (= T439)
binding shikimate-3-phosphate: S24 (= S40), R28 (= R44), T96 (= T113), S168 (= S186), Q170 (= Q188), D321 (= D339), K348 (= K366)

3slhD 1.70 angstrom resolution structure of 3-phosphoshikimate 1- carboxyvinyltransferase (aroa) from coxiella burnetii in complex with shikimate-3-phosphate and glyphosate
44% identity, 94% coverage: 26:452/456 of query aligns to 10:428/440 of 3slhD

query
sites
3slhD

S

S

P

Q

A

G

L

L

T

S

G

G

R

E

V

I

R

C

V

V

P

P

G

G

D

D

K
|
K

S
|
S

V

I

S

S

H

H

R
|
R

A

A

L

V

I

L

F

L

G

A

L

A

F

I

A

A

E

E

G

G

I

Q

T

T

R

Q

I

V

T

D

G

G

L

F

L

L

E

M

G

G

E

A

D
|
D

V

N

L

L

N

A

T

M

A

V

K

S

A

A

C

L

A

Q

L

M

G

G

A

A

R

S

V

I

T

Q

R

V

-

I

R

E

G

D

P

E

G

N

E

I

W

L

E

V

V

V

E

E

G

G

A

V

G

G

A

M

D

T

G

G

L

L

S

Q

S

A

P

P

A

P

A

E

P

A

L

L

D

D

F

C

G

G

N
|
N

S

S

G
|
G

T
|
T

G

A

V

I

R

R

L

L

M

L

M

S

G

G

A

L

V

L

A

A

G

G

Q

Q

D

P

V

F

T

N

A

T

T

V

F

L

D

T

G

G

D

D

A

S

S

S

L

L

R

Q

R

R

R
|
R

P

P

M

M

K

K

R

R

V

I

L

I

D

D

P

P

L

L

T

T

A

L

M

M

G

G

V

A

E

K

I

I

V

-

D

-

S

D

A

S

E

T

G

G

G

N

R

V

L

P

P

P

L

L

T

K

L

I

K

Y

G

G

S

N

D

P

R

R

T

L

K

T

A

G

I

I

T

H

Y

Y

E

Q

T

L

P

P

M

M

P

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

A

C

V

L

L

L

A

A

G

G

L

L

G

Y

A

A

A

R

G

G

E

K

T

T

V

C

V

I

I

T

E

E

R

P

E

A

A

P

T

S

R
|
R

D

D

H

H

T

T

E

E

R

R

M

L

L

L

A

K

H

H

F

F

G

H

A

Y

D

T

V

L

R

Q

V

K

E

D

P

K

H

-

G

-

A

-

H

-

G

-

R

Q

R

S

I

I

A

C

L

V

K

S

G

G

R

G

P

G

T

K

L

L

V

K

A

A

A

N

P

D

V

I

D

S

V

I

P

P

A

G

D

D

P

I

S

S

A

A

F

F

P

F

L

I

V

V

A

A

L

T

I

I

V

T

P

P

G

G

S

S

D

A

V

I

T

R

L

L

T

C

D

R

V

V

M

G

M

V

N

N

P

P

L

T

R

R

T

L

G

G

L

V

I

I

T

N

T

L

L

L

L

K

E

M

M

M

G

G

A

A

S

D

I

I

E

E

V

V

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T

A

H

E

Y

R

T

T

E

E

K

G

N

G

E

E

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T

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A

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D

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I

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T

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-

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-

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E

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N

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Y

M

D

D

D

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|
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|
R

I

I

A

A

M

M

S

A

F

F

L

A

V

V

L

A

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G

L

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A

L

S

A

E

K

Q

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R

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C

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I

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A

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|
T

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S

F

F

P

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M

L

M

A

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G

E

L

V

G

G

active site: K23 (= K39), S24 (= S40), D50 (= D66), N95 (= N110), R125 (= R140), D317 (= D339), E345 (= E367), H388 (= H412), R389 (= R413), T415 (= T439)
binding glyphosate: K23 (= K39), G97 (= G112), T98 (= T113), R125 (= R140), Q171 (= Q188), D317 (= D339), E345 (= E367), R348 (= R370), H388 (= H412), R389 (= R413)
binding shikimate-3-phosphate: S24 (= S40), R28 (= R44), S169 (= S186), Q171 (= Q188), R196 (= R213), D317 (= D339), K344 (= K366)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S24 (= S40), R28 (= R44), T98 (= T113), Q171 (= Q188), R196 (= R213), D317 (= D339), K344 (= K366)

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)
44% identity, 94% coverage: 26:452/456 of query aligns to 8:426/438 of Q83E11

query
sites
Q83E11

S

S

P

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A

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L

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K

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|
R

A

A

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I

L

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L

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A

L

A

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I

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Q

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-

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E

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A

P

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A

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A

E

P

A

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L

D

D

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C

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G

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N

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S

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T

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G

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A

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-

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Q

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A

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H

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-

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-

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-

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L

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A

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T

T

L

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-

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-

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E

G

G

P

E

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A

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D

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|
R

I

I

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A

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F

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G

K21 (= K39) binding phosphoenolpyruvate
S22 (= S40) binding 3-phosphoshikimate
R26 (= R44) binding 3-phosphoshikimate
NSGT 93:96 (= NSGT 110:113) Phosphoenolpyruvate
G95 (= G112) binding phosphoenolpyruvate
T96 (= T113) binding phosphoenolpyruvate
R123 (= R140) binding phosphoenolpyruvate
S167 (= S186) binding 3-phosphoshikimate
A168 (= A187) binding 3-phosphoshikimate
Q169 (= Q188) binding 3-phosphoshikimate; binding phosphoenolpyruvate
D315 (= D339) binding 3-phosphoshikimate
K342 (= K366) binding 3-phosphoshikimate
R346 (= R370) binding phosphoenolpyruvate
R387 (= R413) binding phosphoenolpyruvate

4egrA 2.50 angstrom resolution structure of 3-phosphoshikimate 1- carboxyvinyltransferase (aroa) from coxiella burnetii in complex with phosphoenolpyruvate
45% identity, 94% coverage: 26:452/456 of query aligns to 10:424/434 of 4egrA

query
sites
4egrA

S

S

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A

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L

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H

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A

A

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L

F

L

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A

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Q

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G

G

L

F

L

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A

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|
D

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A

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C

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-

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A

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A

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P

A

P

A

E

P

A

L

L

D

D

F

C

G

G

N
|
N

S

S

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|
G

T
|
T

G

A

V

I

R

R

L

L

M

L

M

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G

G

A

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L

A

A

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G

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Q

D

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N

A

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T

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G

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D

A

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M

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K

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I

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D

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P

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L

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A

L

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M

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L

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A

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-

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Y

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A

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D

A

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M

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N

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T

L

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G

L

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I

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T

L

L

L

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E

M

M

M

G

G

A

A

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D

I

I

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E

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V

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-

A

T

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H

R

Y

T

T

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E

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K

G

-

E

E

R

P

V

T

A

A

D

D

L

I

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V

V

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H

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A

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R

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K

G

G

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Q

A

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P

A

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D

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E

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P

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L

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I

A

A

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A

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G

D

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A

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E

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E
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E

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D

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R

L

I

A

A

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M

A

V

D

D

G

G

L

L

A

Q

A

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C

L

G

G

V

I

A

A

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A

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E

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V

L

G

P

D

D

D

G

L

V

L

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T

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G

G

A

G

T

T

T

L

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-

K

-

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E

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A

N

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Y

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D

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

A

F

F

L

A

V

V

L

A

G

G

L

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A

L

S

A

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K

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G

G

P

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V

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R

D

N

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C

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D

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I

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T

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S

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F

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M

L

M

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G

E

L

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G

G

active site: K23 (= K39), S24 (= S40), D50 (= D66), N95 (= N110), R125 (= R140), D313 (= D339), E341 (= E367), H384 (= H412), R385 (= R413), T411 (= T439)
binding phosphoenolpyruvate: K23 (= K39), G97 (= G112), T98 (= T113), R125 (= R140), D313 (= D339), E341 (= E367), R344 (= R370), R385 (= R413)

1rf6A Structural studies of streptococcus pneumoniae epsp synthase in s3p- glp bound state (see paper)
42% identity, 93% coverage: 29:451/456 of query aligns to 10:424/427 of 1rf6A

query
sites
1rf6A

L

L

T

H

G

G

R

I

V

I

R

R

V

V

P

P

G

G

D

D

K
|
K

S
|
S

V

I

S

S

H

H

R
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R

A

S

L

I

I

I

F

F

G

G

L

S

F

L

A

A

E

E

G

G

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T

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K

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Y

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D

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L

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D

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L

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A

R

A

D

L

L

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G

A

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E

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G

-

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D

G

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W

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G

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A

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G

G

A

M

D

A

G

G

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K

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A

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A

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A

N

P

A

L

L

D

N

F

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G

G

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N

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T

G

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M

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G

G

A

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L

A

A

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G

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A

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D

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E

A

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D

F

G

G

D

D

A
x
D

S

S

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L

R

S

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R

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M

M

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D

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R

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L

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P

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A

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P

P

L

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L

L

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K

G

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K

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N

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L

K

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H

Y

Y

E

E

T

L

P

P

M

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S

A

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Q

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K

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S

A

A

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M

L

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A

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A

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A

A

K

G

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I

I

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K

E

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N

H

H

T

T

E

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D

M

M

L

L

A

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Q

F

F

G

G

A

G

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V

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-

H

-

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-

A

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H

-

G

G

R

K

I

I

A

T

L

V

K

Q

G

G

R

P

P

Q

T

K

L

L

V

T

A

G

A

Q

P

K

V

V

D

V

V

V

P

P

A

G

D

D

P

I

S

S

A

A

F

F

P

W

L

L

V

V

A

A

A

G

L

L

I

I

V

A

P

P

G

N

S

S

D

R

V

L

T

V

L

L

T

Q

D

N

V

V

M

G

M

I

N

N

P

E

L

T

R

R

T

T

G

G

L

I

I

I

T

D

T

V

L

I

L

R

E

A

M

M

G

G

A

G

S

K

I

L

E

E

V

I

V

T

A

-

E

-

R

E

T

I

E

D

G

P

G

V

E

A

R

K

V

S

A

A

D

T

L

L

R

I

V

V

R

E

H

S

S

S

R

D

L

L

K

K

G

G

V

T

E

E

V

I

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C

P

G

E

A

R

L

A

I

P

P

A

R

M

L

I
|
I

D
|
D

E

E

Y

L

P

P

I

I

L

I

A

A

V

L

A

L

A

A

A

T

F

Q

A

A

E

Q

G

G

V

V

T

T

A

V

M

I

R

K

G

D

L

A

S

E

E

E

L

L

R

K

V

V

K
|
K

E
|
E

S

T

D

D

R
|
R

L

I

A

Q

A

V

V

V

A

A

D

D

G

A

L

L

A

N

A

S

C

M

G

G

V

A

A

D

H

I

E

T

V

P

V

T

G

A

D

D

D

G

L

M

L

I

V

I

T

K

G

G

A

K

T

S

T

A

V

L

K

H

G

-

G

G

G

A

P

R

V

V

A

N

T

T

H

F

M

G

D

D

H
|
H

R
|
R

I

I

A

G

M

M

S

M

F

T

L

A

V

I

L

A

G

A

L

L

A

L

S

V

E

A

Q

D

G

G

-

E

V

V

S

E

V

L

D

D

D

R

V

A

A

E

F

A

I

I

A

N

T
|
T

S

S

F

Y

P

P

T

S

F

F

M

F

P

D

M

D

M

L

R

E

G

S

L

L

active site: K20 (= K39), S21 (= S40), D47 (= D66), N90 (= N110), D115 (≠ A135), R120 (= R140), D312 (= D339), E340 (= E367), H384 (= H412), R385 (= R413), T412 (= T439)
binding glyphosate: K20 (= K39), G92 (= G112), T93 (= T113), R120 (= R140), Q168 (= Q188), D312 (= D339), E340 (= E367), R343 (= R370), H384 (= H412), R385 (= R413)
binding shikimate-3-phosphate: S21 (= S40), R25 (= R44), S166 (= S186), Q168 (= Q188), R193 (= R213), I311 (= I338), D312 (= D339), K339 (= K366)

1rf4A Structural studies of streptococcus pneumoniae epsp synthase, tetrahedral intermediate bound state (see paper)
42% identity, 93% coverage: 29:451/456 of query aligns to 10:424/427 of 1rf4A

query
sites
1rf4A

L

L

T

H

G

G

R

I

V

I

R

R

V

V

P

P

G

G

D

D

K
|
K

S
|
S

V

I

S

S

H

H

R
|
R

A

S

L

I

I

I

F

F

G

G

L

S

F

L

A

A

E

E

G

G

I

E

T

T

R

K

I

V

T

Y

G

D

L

I

L

L

E

R

G

G

E

E

D
|
D

V

V

L

L

N

S

T

T

A

M

K

Q

A

V

C

F

A

R

A

D

L

L

G

G

A

V

R

E

V

I

T

E

R

D

R

K

G

-

P

D

G

G

E

V

W

I

E

T

V

V

E

Q

G

G

A

V

G

G

A

M

D

A

G

G

L

L

S

K

S

A

P

P

A

Q

A

N

P

A

L

L

D

N

F

M

G

G

N
|
N

S

S

G
|
G

T
|
T

G

S

V

I

R

R

L

L

M

I

M

S

G

G

A

V

V

L

A

A

G

G

Q

A

D

D

V

F

T

E

A

V

T

E

F

M

D

F

G

G

D

D

A
x
D

S

S

L

L

R

S

R

K

R
|
R

P

P

M

M

K

D

R

R

V

V

L

T

D

L

P

P

L

L

T

K

A

K

M

M

G

G

V

V

E

S

I

I

V

S

D

G

S

Q

A

T

E

E

G

R

G

D

R

L

L

P

P

P

L

L

T

R

L

L

K

K

G

G

S

T

D

K

R

N

T

L

K

R

A

P

I

I

T

H

Y

Y

E

E

T

L

P

P

M

I

P

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

A

A

V

L

L

M

L

F

A

A

G

A

L

L

G

Q

A

A

A

K

G

G

E

E

T

S

V

V

V

I

I

I

E

E

R

K

E

E

A

Y

T

T

R
|
R

D

N

H

H

T

T

E

E

R

D

M

M

L

L

A

Q

H

Q

F

F

G

G

A

G

D

H

V

L

R

S

V

V

E

D

P

-

H

-

G

-

A

-

H

-

G

G

R

K

I

I

A

T

L

V

K

Q

G

G

R

P

P

Q

T

K

L

L

V

T

A

G

A

Q

P

K

V

V

D

V

V

V

P

P

A

G

D

D

P

I

S

S

A

A

F

F

P

W

L

L

V

V

A

A

A

G

L

L

I

I

V

A

P

P

G

N

S

S

D

R

V

L

T

V

L

L

T

Q

D

N

V

V

M

G

M

I

N

N

P

E

L

T

R

R

T

T

G

G

L

I

I

I

T

D

T

V

L

I

L

R

E

A

M

M

G

G

A

G

S

K

I

L

E

E

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I

V

T

A

-

E

-

R

E

T

I

E

D

G

P

G

V

E

A

R

K

V

S

A

A

D

T

L

L

R

I

V

V

R

E

H

S

S

S

R

D

L

L

K

K

G

G

V

T

E

E

V

I

P

C

P

G

E

A

R

L

A

I

P

P

A

R

M

L

I

I

D
|
D

E

E

Y

L

P

P

I

I

L

I

A

A

V

L

A

L

A

A

A

T

F

Q

A

A

E

Q

G

G

V

V

T

T

A

V

M

I

R

K

G

D

L

A

S

E

E

E

L

L

R

K

V

V

K
|
K

E
|
E

S

T

D

D

R
|
R

L

I

A

Q

A

V

V

V

A

A

D

D

G

A

L

L

A

N

A

S

C

M

G

G

V

A

A

D

H

I

E

T

V

P

V

T

G

A

D

D

D

G

L

M

L

I

V

I

T

K

G

G

A

K

T

S

T

A

V

L

K

H

G

-

G

G

G

A

P

R

V

V

A

N

T

T

H

F

M

G

D

D

H
|
H

R
|
R

I

I

A

G

M

M

S

M

F

T

L

A

V

I

L

A

G

A

L

L

A

L

S

V

E

A

Q

D

G

G

-

E

V

V

S

E

V

L

D

D

D

R

V

A

A

E

F

A

I

I

A

N

T
|
T

S

S

F

Y

P

P

T

S

F

F

M

F

P

D

M

D

M

L

R

E

G

S

L

L

active site: K20 (= K39), S21 (= S40), D47 (= D66), N90 (= N110), D115 (≠ A135), R120 (= R140), D312 (= D339), E340 (= E367), H384 (= H412), R385 (= R413), T412 (= T439)
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 (= K39), S21 (= S40), R25 (= R44), G92 (= G112), T93 (= T113), R120 (= R140), S166 (= S186), A167 (= A187), Q168 (= Q188), R193 (= R213), D312 (= D339), K339 (= K366), E340 (= E367), R343 (= R370), H384 (= H412), R385 (= R413)

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)
42% identity, 93% coverage: 29:451/456 of query aligns to 10:424/427 of Q9S400

query
sites
Q9S400

L

L

T

H

G

G

R

S

V

I

R

R

V

V

P

P

G

G

D

D

K

K

S
|
S

V

I

S

S

H

H

R
|
R

A

S

L

I

I

I

F

F

G

G

L

S

F

L

A

A

E

E

G

G

I

E

T

T

R

K

I

V

T

Y

G

D

L

I

L

L

E

R

G

G

E

E

D

D

V

V

L

L

N

S

T

T

A

M

K

Q

A

V

C

F

A

R

A

D

L

L

G

G

A

V

R

E

V

I

T

E

R

D

R

K

G

-

P

D

G

G

E

V

W

I

E

T

V

I

E

Q

G

G

A

V

G

G

A

M

D

A

G

G

L

L

S

K

S

A

P

P

A

Q

A

N

P

A

L

L

D

N

F

M

G

G

N

N

S

S

G

G

T

T

G

S

V

I

R

R

L

L

M

I

M

S

G

G

A

V

V

L

A

A

G

G

Q

A

D

D

V

F

T

E

A

V

T

E

F

M

D

F

G

G

D

D

A

D

S

S

L

L

R

S

R

K

R

R

P

P

M

M

K

D

R

R

V

V

L

T

D

L

P

P

L

L

T

K

A

K

M

M

G

G

V

V

E

S

I

I

V

S

D

G

S

Q

A

T

E

E

G

R

G

D

R

L

L

P

P

P

L

L

T

R

L

L

K

K

G

G

S

T

D

K

R

N

T

L

K

R

A

P

I

I

T

H

Y

Y

E

E

T

L

P

P

M

I

P

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

A

A

V

L

L

M

L

F

A

A

G

A

L

L

G

Q

A

A

A

K

G

G

E

E

T

S

V

V

V

I

I

I

E

E

R

K

E

E

A

Y

T

T

R

R

D

N

H

H

T

T

E

E

R

D

M

M

L

L

A

K

H

Q

F

F

G

G

A

G

D

H

V

L

R

S

V

V

E

D

P

-

H

-

G

-

A

-

H

-

G

G

R

K

I

I

A

T

L

V

K

Q

G

G

R

P

P

Q

T

K

L

L

V

T

A

G

A

Q

P

K

V

V

D

V

V

V

P

P

A

G

D

D

P

I

S

S

A

A

F

F

P

W

L

L

V

V

A

A

A

G

L

L

I

I

V

A

P

P

G

N

S

S

D

R

V

L

T

V

L

L

T

Q

D

N

V

V

M

G

M

I

N

N

P

E

L

T

R

R

T

T

G

G

L

I

I

I

T

D

T

V

L

I

L

R

E

A

M

M

G

G

A

G

S

K

I

L

E

E

V

I

V

T

A

-

E

-

R

E

T

I

E

D

G

P

G

V

E

A

R

K

V

S

A

A

D

T

L

L

R

I

V

V

R

E

H

S

S

S

R

D

L

L

K

K

G

G

V

T

E

E

V

I

P

G

E

A

R

L

A

I

P

P

A

R

M

L

I

I

D
|
D

E

E

Y

L

P

P

I

I

L

I

A

A

V

L

A

L

A

A

A

T

F

Q

A

A

E

Q

G

G

V

V

T

T

A

V

M

I

R

K

G

D

L

A

S

E

E

E

L

L

R

K

V

V

K
|
K

E

E

S

T

D

D

R

R

L

I

A

Q

A

V

V

V

A

A

D

D

G

A

L

L

A

N

A

S

C

M

G

G

V

A

A

D

H

I

E

T

V

P

V

T

G

A

D

D

D

G

L

M

L

I

V

I

T

K

G

G

A

K

T

S

T

A

V

L

K

H

G

-

G

G

G

A

P

R

V

V

A

N

T

T

H

F

M

G

D

D

H

H

R

R

I

I

A

G

M

M

S

M

F

T

L

A

V

I

L

A

G

A

L

L

A

L

S

V

E

A

Q

D

G

G

-

E

V

V

S

E

V

L

D

D

D

R

V

A

A

E

F

A

I

I

A

N

T

T

S

S

F

Y

P

P

T

S

F

F

M

F

P

D

M

D

M

L

R

E

G

S

L

L

S21 (= S40) binding 3-phosphoshikimate
R25 (= R44) binding 3-phosphoshikimate
S166 (= S186) binding 3-phosphoshikimate
A167 (= A187) binding 3-phosphoshikimate
Q168 (= Q188) binding 3-phosphoshikimate
D312 (= D339) binding 3-phosphoshikimate
K339 (= K366) binding 3-phosphoshikimate

7tm6A Crystal structure of shikimate-3-phosphate and glyphosate bound 3- phosphoshikimate 1-carboxyvinyltransferase from klebsiella pneumoniae
29% identity, 92% coverage: 31:448/456 of query aligns to 13:419/426 of 7tm6A

query
sites
7tm6A

G

G

R

T

V

V

R

N

V

L

P

P

G

G

D

S

K
|
K

S
|
S

V

V

S

S

H

N

R
|
R

A

A

L

L

I

L

F

L

G

A

L

A

F

L

A

A

E

R

G

G

I

T

T

T

R

V

I

L

T

T

G

N

L

L

E

D

G

S

E

D

D

D

V

V

L

R

N

H

T

M

A

L

K

N

A

A

C

L

A

S

A

A

L

L

G

G

A

V

R

Q

V

Y

T

T

R

L

R

S

G

A

P

D

-

R

G

T

E

R

W

C

E

E

V

V

E

T

G

G

A

N

G

G

A

G

D

P

G

L

L

R

S

S

S

A

P

A

A

A

A

L

P

E

L

L

D

F

F

L

G

G

N

N

S

A

G
|
G

T
|
T

G

A

V

M

R

R

L

P

M

L

M

A

G

A

A

A

V

L

A

C

G

L

Q

G

D

S

V

N

T

D

A

I

T

V

F

L

D

T

G

G

D

E

A

P

S

R

L

M

R

K

R

E

R
|
R

P

P

M

I

K

G

R

H

V

L

L

V

D

D

P

A

L

L

T

R

A

Q

M

G

G

G

V

A

E

Q

I

I

V

D

D

C

S

L

A

E

E

Q

G

E

G

N

R

Y

L

P

P

P

L

L

T

R

L

L

K

R

G

G

S

G

D

F

R

Q

T

G

K

G

A

N

I

V

T

E

Y

V

E

D

T

G

P

S

M

V

P

-

S
|
S

A
x
S

Q
|
Q

V

F

K

L

S

T

A

A

V

L

L

L

L

M

A

T

G

A

L

P

G

L

A

A

A

P

G

Q

E

D

T

T

V

V

V

I

I

V

E

I

R

K

-

G

-

D

-

L

-

V

-
x
S

E

K

A

P

T
x
Y

R

I

D

D

H

I

T

T

E

L

R

H

M

L

L

M

A

K

H

T

F

F

G

G

A

V

D

E

V

V

R

D

V

N

E

Q

P

S

H

Y

G

-

A

-

H

-

G

-

R

Q

R

R

I

F

A

V

L

V

K

R

G

G

R

K

P

Q

T

Q

L

Y

V

-

A

Q

A

S

P

P

V

G

D

D

-

Y

-

L

V

V

P

E

A

G

D

D

P

A

S

S

A

A

A

S

F

Y

P

F

L

L

V

A

A

A

A

G

L

A

I

I

V

-

P

K

G

G

S

G

D

T

V

V

T

K

L

V

T

T

D

G

V

I

M

G

M

R

N

N

P

S

L

V

R

Q

-

G

-

D

T

I

G

R

L

F

I

A

T

D

T

V

L

L

L

E

E

K

M

M

G

G

A

A

S

T

I

V

E

-

V

-

A

-

E

-

R

-

T

T

E

W

G

G

G

D

E

D

R

F

V

I

A

A

D

-

L

-

R

-

V

C

R

T

H

H

S

G

R

E

L

L

K

K

G

A

V

V

E

D

V

M

P

D

P

M

E

N

R

H

A

I

P

P

A

-

M

-

I

-

D
|
D

E

A

Y

A

P

M

I

T

L

I

A

A

V

T

A

A

A

L

F

F

A

A

E

Q

G

G

V

T

T

T

A

T

M

L

R

R

G

N

L

I

S

Y

E
x
N

L

W

R

R

V

V

K
|
K

E
|
E

S

T

D

D

R
|
R

L

L

A

F

A

A

V

M

A

A

D

T

G

E

L

L

A

R

A

K

C

V

G

G

V

A

A

E

H

V

E

E

V

E

V

G

G

E

D

D

D

Y

L

I

L

R

V

I

T

T

G

P

A

P

T

A

T

K

V

L

K

K

G

-

G

Y

G

A

P

E

V

I

A

G

T

T

H

Y

M

N

D

D

H
|
H

R
|
R

I

M

A

A

M

M

S

C

F

F

L

S

V

L

L

V

G

A

L

L

A

-

S

S

E

D

Q

T

G

P

V

V

S

T

V

I

D

L

D

D

V

P

A

K

F

C

I

T

A

A

T

K

S

T

F

F

P

P

T

D

F

Y

M

F

P

E

M

Q

M

L

binding glyphosate: K21 (= K39), G95 (= G112), R123 (= R140), Q170 (= Q188), D312 (= D339), E340 (= E367), R343 (= R370), H384 (= H412), R385 (= R413)
binding shikimate-3-phosphate: S22 (= S40), R26 (= R44), T96 (= T113), S168 (= S186), S169 (≠ A187), Q170 (= Q188), S196 (vs. gap), Y199 (≠ T212), D312 (= D339), N335 (≠ E362), K339 (= K366)

7tm5B Crystal structure of shikimate-3-phosphate bound 3-phosphoshikimate 1- carboxyvinyltransferase from klebsiella pneumoniae
29% identity, 92% coverage: 31:448/456 of query aligns to 14:420/427 of 7tm5B

query
sites
7tm5B

G

G

R

T

V

V

R

N

V

L

P

P

G

G

D

S

K
|
K

S
|
S

V

V

S

S

H

N

R
|
R

A

A

L

L

I

L

F

L

G

A

L

A

F

L

A

A

E

R

G

G

I

T

T

T

R

V

I

L

T

T

G

N

L

L

E

D

G

S

E

D

D

D

V

V

L

R

N

H

T

M

A

L

K

N

A

A

C

L

A

S

A

A

L

L

G

G

A

V

R

Q

V

Y

T

T

R

L

R

S

G

A

P

D

-

R

G

T

E

R

W

C

E

E

V

V

E

T

G

G

A

N

G

G

A

G

D

P

G

L

L

R

S

S

S

A

P

A

A

A

A

L

P

E

L

L

D

F

F

L

G

G

N

N

S

A

G

G

T

T

G

A

V

M

R

R

L

P

M

L

M

A

G

A

A

A

V

L

A

C

G

L

Q

G

D

S

V

N

T

D

A

I

T

V

F

L

D

T

G

G

D

E

A

P

S

R

L

M

R

K

R

E

R

R

P

P

M

I

K

G

R

H

V

L

L

V

D

D

P

A

L

L

T

R

A

Q

M

G

G

G

V

A

E

Q

I

I

V

D

D

C

S

L

A

E

E

Q

G

E

G

N

R

Y

L

P

P

P

L

L

T

R

L

L

K

R

G

G

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G

D

F

R

Q

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G

K

G

A

N

I

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E

Y

V

E

D

T

G

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S

M

V

P

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|
S

A
x
S

Q
|
Q

V

F

K

L

S

T

A

A

V

L

L

L

L

M

A

T

G

A

L

P

G

L

A

A

A

P

G

Q

E

D

T

T

V

V

V

I

I

V

E

I

R

K

-

G

-

D

-

L

-

V

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x
S

E

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A

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x
Y

R

I

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D

H

I

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T

E

L

R

H

M

L

L

M

A

K

H

T

F

F

G

G

A

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D

E

V

V

R

D

V

N

E

Q

P

S

H

Y

G

-

A

-

H

-

G

-

R

Q

R

R

I

F

A

V

L

V

K

R

G

G

R

K

P

Q

T

Q

L

Y

V

-

A

Q

A

S

P

P

V

G

D

D

-

Y

-

L

V

V

P

E

A

G

D

D

P

A

S

S

A

A

A

S

F

Y

P

F

L

L

V

A

A

A

A

G

L

A

I

I

V

-

P

K

G

G

S

G

D

T

V

V

T

K

L

V

T

T

D

G

V

I

M

G

M

R

N

N

P

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L

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R

Q

-

G

-

D

T

I

G

R

L

F

I

A

T

D

T

V

L

L

L

E

E

K

M

M

G

G

A

A

S

T

I

V

E

-

V

-

A

-

E

-

R

-

T

T

E

W

G

G

G

D

E

D

R

F

V

I

A

A

D

-

L

-

R

-

V

C

R

T

H

H

S

G

R

E

L

L

K

K

G

A

V

V

E

D

V

M

P

D

P

M

E

N

R

H

A

I

P

P

A

-

M

-

I

-

D
|
D

E

A

Y

A

P

M

I

T

L

I

A

A

V

T

A

A

A

L

F

F

A

A

E

Q

G

G

V

T

T

T

A

T

M

L

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R

G

N

L

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Y

E
x
N

L

W

R

R

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V

K
|
K

E

E

S

T

D

D

R

R

L

L

A

F

A

A

V

M

A

A

D

T

G

E

L

L

A

R

A

K

C

V

G

G

V

A

A

E

H

V

E

E

V

E

V

G

G

E

D

D

D

Y

L

I

L

R

V

I

T

T

G

P

A

P

T

A

T

K

V

L

K

K

G

-

G

Y

G

A

P

E

V

I

A

G

T

T

H

Y

M

N

D

D

H

H

R

R

I

M

A

A

M

M

S

C

F

F

L

S

V

L

L

V

G

A

L

L

A

-

S

S

E

D

Q

T

G

P

V

V

S

T

V

I

D

L

D

D

V

P

A

K

F

C

I

T

A

A

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K

S

T

F

F

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T

D

F

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M

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P

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M

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L

binding shikimate-3-phosphate: K22 (= K39), S23 (= S40), R27 (= R44), S169 (= S186), S170 (≠ A187), Q171 (= Q188), S197 (vs. gap), Y200 (≠ T212), D313 (= D339), N336 (≠ E362), K340 (= K366)

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
29% identity, 91% coverage: 29:445/456 of query aligns to 12:418/426 of 3nvsA

query
sites
3nvsA

L

I

T

S

G

G

R

E

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V

R

N

V

L

P

P

G

G

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K
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K

S
|
S

V

V

S

S

H

N

R
|
R

A

A

L

L

I

L

F

L

G

A

L

A

F

L

A

A

E

S

G

G

I

T

T

T

R

R

I

L

T

T

G

N

L

L

E

D

G

S

E

D

D
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D

V

I

L

R

N

H

T

M

A

L

K

N

A

A

C

L

A

T

A

K

L

L

G

G

A

-

R

-

V

V

T

N

R

Y

R

R

G

L

P

S

G

A

E

D

-

K

-

T

W

C

E

E

V

V

E

E

G

G

A

L

G

G

A

Q

D

A

G

F

L

H

S

T

P

Q

A

P

A

L

P

E

L

L

D

F

F

L

G

G

N
|
N

S

A

G
|
G

T
|
T

G

A

V

M

R

R

L

P

M

L

M

A

G

A

A

A

V

L

A

C

G

L

Q

G

D

Q

V

G

T

D

A

Y

T

V

F

L

D

T

G

G

D

E

A
x
P

S

R

L

M

R

K

R
x
E

R
|
R

P

P

M

I

K

G

R
x
H

V

L

L

V

D

D

P

A

L

L

T

R

A
x
Q

M

A

G

G

V

A

E

Q

I

I

V

E

D
x
Y

S

L

A
x
E

E
x
Q

G

E

G

N

R

F

L

P

P

P

L

L

T

R

L

I

K

Q

G

G

S

T

D

G

R

L

T

Q

K

A

A

G

I

T

T

V

Y

T

E

I

T

D

P

G

M

S

P

I

S
|
S

A
x
S

Q
|
Q

V

F

K

L

S

T

A

A

V

F

L

L

L

M

A

S

G

A

L

P

G

L

A

A

A

Q

G

G

E

K

T

V

V

T

V

I

-

K

-

I

-

V

-

G

-

E

I

L

E

V

R
x
S

E

K

A

P

T
x
Y

R

I

D

D

H

I

T

T

E

L

R

H

M

I

L

M

A

E

H

Q

F

F

G

G

A

-

D

-

V

V

R

Q

V

V

E

I

P

N

H

H

G

D

A

-

H

Y

G

Q

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E

R

F

I

V

A

I

L

P

K

A

G

G

R

Q

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T

Y

L

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V

S

A

P

A

G

P

Q

V

F

D

L

V

V

P

E

A

G

D

D

P

A

S

S

A
|
A

A

S

F

Y

P

F

L

L

V

A

A

A

L
x
A

I

I

V

-

P

K

G

G

S

G

D

E

V

V

T

K

L

V

T

T

D

G

V

I

M

G

M

K

N

N

P

S

L

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R

Q

-

G

-

D

T

I

G

Q

L

F

I

A

T

D

T

A

L

L

L

E

E

K

M

M

G

G

A

A

S

Q

I

I

E

E

V

W

V

-

A

-

E

-

R

-

T

-

E

-

G

G

G

D

E

D

R

Y

V

V

A

I

D

-

L

-

R

-

V

A

R

R

H

R

S

G

R

E

L

L

K

N

G

A

V

V

E

D

V

L

P

D

P

F

E

N

R

H

A

I

P

P

A

-

M

-

I

-

D
|
D

E

A

Y

A

P

M

I

T

L

I

A

A

V

T

A

T

A

A

A

L

F

F

A

A

E

K

G

G

V

T

T

T

A

A

M

I

R

R

G

N

L

V

S

Y

E
x
N

L

W

R

R

V

V

K
|
K

E
|
E

S

T

D

D

R
|
R

L

L

A

A

V

M

A

A

D

T

G

E

L

L

A

R

A

K

C

V

G

G

V

A

A

T

H

V

E

E

V

-

V

E

G

G

D

E

D

D

L

F

L

I

V

V

T

I

G

T

A

P

T

P

T

T

V

K

K

L

G

I

G

H

G

A

P

A

V

I

A

D

T

T

H

Y

M

D

D

D

H
|
H

R
|
R

I

M

A

A

M

M

S

C

F

F

L

S

V

L

L

V

G

A

L

L

A

-

S

S

E

D

Q

T

G

P

V

V

S

T

V

I

D

N

D

D

V

P

A

K

F

C

I

T

A

S

T
x
K

S

T

F

F

P

P

T

D

F

Y

M

F

active site: K22 (= K39), S23 (= S40), D49 (= D66), N94 (= N110), P119 (≠ A135), R124 (= R140), H128 (≠ R144), Q135 (≠ A151), Y142 (≠ D158), E144 (≠ A160), A247 (= A261), A255 (≠ L269), D314 (= D339), E342 (= E367), H386 (= H412), R387 (= R413), K412 (≠ T439)
binding glyphosate: K22 (= K39), G96 (= G112), R124 (= R140), Q172 (= Q188), D314 (= D339), E342 (= E367), R345 (= R370), H386 (= H412), R387 (= R413)
binding magnesium ion: E123 (≠ R139), Q145 (≠ E161)
binding shikimate-3-phosphate: K22 (= K39), S23 (= S40), R27 (= R44), T97 (= T113), S170 (= S186), S171 (≠ A187), Q172 (= Q188), S198 (≠ R209), Y201 (≠ T212), D314 (= D339), N337 (≠ E362), K341 (= K366)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S23 (= S40), R27 (= R44), Q172 (= Q188), Y201 (≠ T212), D314 (= D339), K341 (= K366)

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)
29% identity, 91% coverage: 29:445/456 of query aligns to 12:418/426 of Q9KRB0

query
sites
Q9KRB0

L

I

T

S

G

G

R

E

V

V

R

N

V

L

P

P

G

G

D

S

K
|
K

S
|
S

V

V

S

S

H

N

R
|
R

A

A

L

L

I

L

F

L

G

A

L

A

F

L

A

A

E

S

G

G

I

T

T

T

R

R

I

L

T

T

G

N

L

L

E

D

G

S

E

D

D

D

V

I

L

R

N

H

T

M

A

L

K

N

A

A

C

L

A

T

A

K

L

L

G

G

A

-

R

-

V

V

T

N

R

Y

R

R

G

L

P

S

G

A

E

D

-

K

-

T

W

C

E

E

V

V

E

E

G

G

A

L

G

G

A

Q

D

A

G

F

L

H

S

T

P

Q

A

P

A

L

P

E

L

L

D

F

F

L

G

G

N

N

S

A

G

G

T

T

G

A

V

M

R

R

L

P

M

L

M

A

G

A

A

A

V

L

A

C

G

L

Q

G

D

Q

V

G

T

D

A

Y

T

V

F

L

D

T

G

G

D

E

A

P

S

R

L

M

R

K

R

E

R

R

P

P

M

I

K

G

R

H

V

L

L

V

D

D

P

A

L

L

T

R

A

Q

M

A

G

G

V

A

E

Q

I

I

V

E

D

Y

S

L

A

E

E

Q

G

E

G

N

R

F

L

P

P

P

L

L

T

R

L

I

K

Q

G

G

S

T

D

G

R

L

T

Q

K

A

A

G

I

T

T

V

Y

T

E

I

T

D

P

G

M

S

P

I

S
|
S

A
x
S

Q

Q

V

F

K

L

S

T

A

A

V

F

L

L

L

M

A

S

G

A

L

P

G

L

A

A

A

Q

G

G

E

K

T

V

V

T

V

I

-

K

-

I

-

V

-

G

-

E

I

L

E

V

R
x
S

E

K

A

P

T

Y

R

I

D

D

H

I

T

T

E

L

R

H

M

I

L

M

A

E

H

Q

F

F

G

G

A

-

D

-

V

V

R

Q

V

V

E

I

P

N

H

H

G

D

A

-

H

Y

G

Q

R

E

R

F

I

V

A

I

L

P

K

A

G

G

R

Q

P

S

T

Y

L

V

V

S

A

P

A

G

P

Q

V

F

D

L

V

V

P

E

A

G

D

D

P

A

S

S

A

A

A

S

F

Y

P

F

L

L

V

A

A

A

L

A

I

I

V

-

P

K

G

G

S

G

D

E

V

V

T

K

L

V

T

T

D

G

V

I

M

G

M

K

N

N

P

S

L

I

R

Q

-

G

-

D

T

I

G

Q

L

F

I

A

T

D

T

A

L

L

L

E

E

K

M

M

G

G

A

A

S

Q

I

I

E

E

V

W

V

-

A

-

E

-

R

-

T

-

E

-

G

G

G

D

E

D

R

Y

V

V

A

I

D

-

L

-

R

-

V

A

R

R

H

R

S

G

R

E

L

L

K

N

G

A

V

V

E

D

V

L

P

D

P

F

E

N

R

H

A

I

P

P

A

-

M

-

I

-

D
|
D

E

A

Y

A

P

M

I

T

L

I

A

A

V

T

A

T

A

A

A

L

F

F

A

A

E

K

G

G

V

T

T

T

A

A

M

I

R

R

G

N

L

V

S

Y

E
x
N

L

W

R

R

V

V

K
|
K

E

E

S

T

D

D

R

R

L

L

A

A

V

M

A

A

D

T

G

E

L

L

A

R

A

K

C

V

G

G

V

A

A

T

H

V

E

E

V

-

V

E

G

G

D

E

D

D

L

F

L

I

V

V

T

I

G

T

A

P

T

P

T

T

V

K

K

L

G

I

G

H

G

A

P

A

V

I

A

D

T

T

H

Y

M

D

D

D

H

H

R

R

I

M

A

A

M

M

S

C

F

F

L

S

V

L

L

V

G

A

L

L

A

-

S

S

E

D

Q

T

G

P

V

V

S

T

V

I

D

N

D

D

V

P

A

K

F

C

I

T

A

S

T

K

S

T

F

F

P

P

T

D

F

Y

M

F

K22 (= K39) binding 3-phosphoshikimate
S23 (= S40) binding 3-phosphoshikimate
R27 (= R44) binding 3-phosphoshikimate
S170 (= S186) binding 3-phosphoshikimate
S171 (≠ A187) binding 3-phosphoshikimate
S198 (≠ R209) binding 3-phosphoshikimate
D314 (= D339) binding 3-phosphoshikimate
N337 (≠ E362) binding 3-phosphoshikimate
K341 (= K366) binding 3-phosphoshikimate

2pq9A E. Coli epsps liganded with (r)-difluoromethyl tetrahedral reaction intermediate analog (see paper)
29% identity, 92% coverage: 31:448/456 of query aligns to 14:420/427 of 2pq9A

query
sites
2pq9A

G

G

R

T

V

I

R

N

V

L

P

P

G

G

D

S

K
|
K

S
|
S

V

V

S

S

H

N

R
|
R

A

A

L

L

I

L

F

L

G

A

L

A

F

L

A

A

E

H

G

G

I

K

T

T

R

V

I

L

T

T

G

N

L

L

E

D

G

S

E

D

D
|
D

V

V

L

R

N

H

T

M

A

L

K

N

A

A

C

L

A

T

A

A

L

L

G

G

A

V

R

S

V

Y

T

T

R

L

R

S

G

A

P

D

-

R

G

T

E

R

W

C

E

E

V

I

E

I

G

G

A

N

G

G

A

G

D

P

G

L

L

H

S

A

S

E

P

G

A

A

A

L

P

E

L

L

D

F

F

L

G

G

N
|
N

S

A

G
|
G

T
|
T

G

A

V

M

R

R

L

P

M

L

M

A

G

A

A

A

V

L

A

C

-

L

-

G

G

S

Q

N

D

D

V

I

T

V

A

L

T

T

F

-

D

-

G

G

D

E

A
x
P

S

R

L

M

R

K

R

E

R
|
R

P

P

M

I

K

G

R

H

V

L

L

V

D

D

P

A

L

L

T

R

A

L

M

G

G

G

V

A

E

K

I

I

V

T

D

Y

S

L

A

E

E

Q

G

E

G

N

R

Y

L

P

P

P

L

L

T

R

L

L

K

Q

G

G

S

G

D

F

R

T

T

G

K

G

A

N

I

V

T

D

Y

V

E

D

T

G

P

S

M

V

P

-

S
|
S

A
x
S

Q
|
Q

V

F

K

L

S

T

A

A

V

L

L

L

L

M

A

T

G

A

L

P

G

L

A

A

A

P

G

E

E

D

T

T

V

V

V

I

-

R

-

I

-

K

-

G

-

D

I

L

E

V

R
x
S

E

K

A

P

T
x
Y

R

I

D

D

H

I

T

T

E

L

R

N

M

L

L

M

A

K

H

T

F

F

G

G

A

-

D

-

V

-

R

-

V

V

E

E

P

I

H

E

G

N

A

Q

H

H

G

Y

R

Q

I

F

A

V

L

V

K

K

G

G

R

G

P

Q

T

S

L

Y

V

Q

A

S

-

P

A

G

P

T

V

Y

D

L

V

V

P

E

A

G

D

D

P

A

S

S

A

A

A

S

F

Y

P

F

L

L

V

A

A

A

L

A

I

I

V

-

P

K

G

G

S

G

D

T

V

V

T

K

L

V

T

T

D

G

V

I

M

G

M

R

N

N

P

S

L

M

R

Q

T

G

G

D

L

I

-

R

-

F

I

A

T

D

T

V

L

L

L

E

E

K

M

M

G

G

A

A

S

T

I

I

E

-

V

-

A

-

E

-

R

-

T

C

E

W

G

G

G

D

E

D

R

Y

V

I

A

S

D

C

L

T

R

R

V

-

R

-

H

-

S

G

R

E

L

L

K

N

G

A

V

I

E

D

V

M

P

D

P

M

E

N

R

H

A

I

P

P

A

-

M

-

I

-

D
|
D

E

A

Y

A

P

M

I

T

L

I

A

A

V

T

A

A

A

L

F

F

A

A

E

K

G

G

V

T

T

T

A

T

M

L

R

R

G

N

L

I

S

Y

E
x
N

L

W

R

R

V

V

K
|
K

E
|
E

S

T

D

D

R
|
R

L

L

A

F

A

A

V

M

A

A

D

T

G

E

L

L

A

R

A

K

C

V

G

G

V

A

A

E

H

V

E

E

V

E

V

G

G

H

D

D

D

Y

L

I

L

R

V

I

T

T

G

P

A

P

T

E

T

K

V

L

K

N

G

-

G

F

G

A

P

E

V

I

A

A

T

T

H

Y

M

N

D

D

H
|
H

R
|
R

I

M

A

A

M

M

S

C

F

F

L

S

V

L

L

V

G

A

L

L

A

-

S

S

E

D

Q

T

G

P

V

V

S

T

V

I

D

L

D

D

V

P

A

K

F

C

I

T

A

A

T
x
K

S

T

F

F

P

P

T

D

F

Y

M

F

P

E

M

Q

M

L

active site: K22 (= K39), S23 (= S40), D49 (= D66), N94 (= N110), P119 (≠ A135), R124 (= R140), D313 (= D339), E341 (= E367), H385 (= H412), R386 (= R413), K411 (≠ T439)
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 (= K39), S23 (= S40), R27 (= R44), G96 (= G112), T97 (= T113), R124 (= R140), S169 (= S186), S170 (≠ A187), Q171 (= Q188), S197 (≠ R209), Y200 (≠ T212), D313 (= D339), N336 (≠ E362), K340 (= K366), R344 (= R370), H385 (= H412), R386 (= R413), K411 (≠ T439)

2aa9A Epsp synthase liganded with shikimate (see paper)
29% identity, 92% coverage: 31:448/456 of query aligns to 14:420/427 of 2aa9A

query
sites
2aa9A

G

G

R

T

V

I

R

N

V

L

P

P

G

G

D

S

K
|
K

S
|
S

V

V

S

S

H

N

R
|
R

A

A

L

L

I

L

F

L

G

A

L

A

F

L

A

A

E

H

G

G

I

K

T

T

R

V

I

L

T

T

G

N

L

L

E

D

G

S

E

D

D
|
D

V

V

L

R

N

H

T

M

A

L

K

N

A

A

C

L

A

T

A

A

L

L

G

G

A

V

R

S

V

Y

T

T

R

L

R

S

G

A

P

D

-

R

G

T

E

R

W

C

E

E

V

I

E

I

G

G

A

N

G

G

A

G

D

P

G

L

L

H

S

A

S

E

P

G

A

A

A

L

P

E

L

L

D

F

F

L

G

G

N
|
N

S

A

G

G

T
|
T

G

A

V

M

R

R

L

P

M

L

M

A

G

A

A

A

V

L

A

C

-

L

-

G

G

S

Q

N

D

D

V

I

T

V

A

L

T

T

F

-

D

-

G

G

D

E

A
x
P

S

R

L

M

R

K

R

E

R
|
R

P

P

M

I

K

G

R

H

V

L

L

V

D

D

P

A

L

L

T

R

A

L

M

G

G

G

V

A

E

K

I

I

V

T

D

Y

S

L

A

E

E

Q

G

E

G

N

R

Y

L

P

P

P

L

L

T

R

L

L

K

Q

G

G

S

G

D

F

R

T

T

G

K

G

A

N

I

V

T

D

Y

V

E

D

T

G

P

S

M

V

P

-

S

S

A

S

Q
|
Q

V

F

K

L

S

T

A

A

V

L

L

L

L

M

A

T

G

A

L

P

G

L

A

A

A

P

G

E

E

D

T

T

V

V

V

I

-

R

-

I

-

K

-

G

-

D

I

L

E

V

R

S

E

K

A

P

T
x
Y

R

I

D

D

H

I

T

T

E

L

R

N

M

L

L

M

A

K

H

T

F

F

G

G

A

-

D

-

V

-

R

-

V

V

E

E

P

I

H

E

G

N

A

Q

H

H

G

Y

R

Q

I

F

A

V

L

V

K

K

G

G

R

G

P

Q

T

S

L

Y

V

Q

A

S

-

P

A

G

P

T

V

Y

D

L

V

V

P

E

A

G

D

D

P

A

S

S

A

A

A

S

F

Y

P

F

L

L

V

A

A

A

L

A

I

I

V

-

P

K

G

G

S

G

D

T

V

V

T

K

L

V

T

T

D

G

V

I

M

G

M

R

N

N

P

S

L

M

R

Q

T

G

G

D

L

I

-

R

-

F

I

A

T

D

T

V

L

L

L

E

E

K

M

M

G

G

A

A

S

T

I

I

E

-

V

-

A

-

E

-

R

-

T

C

E

W

G

G

G

D

E

D

R

Y

V

I

A

S

D

C

L

T

R

R

V

-

R

-

H

-

S

G

R

E

L

L

K

N

G

A

V

I

E

D

V

M

P

D

P

M

E

N

R

H

A

I

P

P

A

-

M

-

I

-

D
|
D

E

A

Y

A

P

M

I

T

L

I

A

A

V

T

A

A

A

L

F

F

A

A

E

K

G

G

V

T

T

T

A

T

M

L

R

R

G

N

L

I

S

Y

E

N

L

W

R

R

V

V

K
|
K

E
|
E

S

T

D

D

R

R

L

L

A

F

A

A

V

M

A

A

D

T

G

E

L

L

A

R

A

K

C

V

G

G

V

A

A

E

H

V

E

E

V

E

V

G

G

H

D

D

D

Y

L

I

L

R

V

I

T

T

G

P

A

P

T

E

T

K

V

L

K

N

G

-

G

F

G

A

P

E

V

I

A

A

T

T

H

Y

M

N

D

D

H
|
H

R
|
R

I

M

A

A

M

M

S

C

F

F

L

S

V

L

L

V

G

A

L

L

A

-

S

S

E

D

Q

T

G

P

V

V

S

T

V

I

D

L

D

D

V

P

A

K

F

C

I

T

A

A

T
x
K

S

T

F

F

P

P

T

D

F

Y

M

F

P

E

M

Q

M

L

active site: K22 (= K39), S23 (= S40), D49 (= D66), N94 (= N110), P119 (≠ A135), R124 (= R140), D313 (= D339), E341 (= E367), H385 (= H412), R386 (= R413), K411 (≠ T439)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: K22 (= K39), S23 (= S40), R27 (= R44), T97 (= T113), Q171 (= Q188), Y200 (≠ T212), D313 (= D339), K340 (= K366)

1x8tA Epsps liganded with the (r)-phosphonate analog of the tetrahedral reaction intermediate (see paper)
29% identity, 92% coverage: 31:448/456 of query aligns to 14:420/427 of 1x8tA

query
sites
1x8tA

G

G

R

T

V

I

R

N

V

L

P

P

G

G

D

S

K
|
K

S
|
S

V

V

S

S

H

N

R
|
R

A

A

L

L

I

L

F

L

G

A

L

A

F

L

A

A

E

H

G

G

I

K

T

T

R

V

I

L

T

T

G

N

L

L

E

D

G

S

E

D

D
|
D

V

V

L

R

N

H

T

M

A

L

K

N

A

A

C

L

A

T

A

A

L

L

G

G

A

V

R

S

V

Y

T

T

R

L

R

S

G

A

P

D

-

R

G

T

E

R

W

C

E

E

V

I

E

I

G

G

A

N

G

G

A

G

D

P

G

L

L

H

S

A

S

E

P

G

A

A

A

L

P

E

L

L

D

F

F

L

G

G

N
|
N

S

A

G

G

T
|
T

G

A

V

M

R

R

L

P

M

L

M

A

G

A

A

A

V

L

A

C

-

L

-

G

G

S

Q

N

D

D

V

I

T

V

A

L

T

T

F

-

D

-

G

G

D

E

A
x
P

S

R

L

M

R

K

R

E

R
|
R

P

P

M

I

K

G

R

H

V

L

L

V

D

D

P

A

L

L

T

R

A

L

M

G

G

G

V

A

E

K

I

I

V

T

D

Y

S

L

A

E

E

Q

G

E

G

N

R

Y

L

P

P

P

L

L

T

R

L

L

K

Q

G

G

S

G

D

F

R

T

T

G

K

G

A

N

I

V

T

D

Y

V

E

D

T

G

P

S

M

V

P

-

S
|
S

A
x
S

Q
|
Q

V

F

K

L

S

T

A

A

V

L

L

L

L

M

A

T

G

A

L

P

G

L

A

A

A

P

G

E

E

D

T

T

V

V

V

I

-

R

-

I

-

K

-

G

-

D

I

L

E

V

R
x
S

E

K

A

P

T
x
Y

R

I

D

D

H

I

T

T

E

L

R

N

M

L

L

M

A

K

H

T

F

F

G

G

A

-

D

-

V

-

R

-

V

V

E

E

P

I

H

E

G

N

A

Q

H

H

G

Y

R

Q

I

F

A

V

L

V

K

K

G

G

R

G

P

Q

T

S

L

Y

V

Q

A

S

-

P

A

G

P

T

V

Y

D

L

V

V

P

E

A

G

D

D

P

A

S

S

A

A

A

S

F

Y

P

F

L

L

V

A

A

A

L

A

I

I

V

-

P

K

G

G

S

G

D

T

V

V

T

K

L

V

T

T

D

G

V

I

M

G

M

R

N

N

P

S

L

M

R

Q

T

G

G

D

L

I

-

R

-

F

I

A

T

D

T

V

L

L

L

E

E

K

M

M

G

G

A

A

S

T

I

I

E

-

V

-

A

-

E

-

R

-

T

C

E

W

G

G

G

D

E

D

R

Y

V

I

A

S

D

C

L

T

R

R

V

-

R

-

H

-

S

G

R

E

L

L

K

N

G

A

V

I

E

D

V

M

P

D

P

M

E

N

R

H

A

I

P

P

A

-

M

-

I

-

D
|
D

E

A

Y

A

P

M

I

T

L

I

A

A

V

T

A

A

A

L

F

F

A

A

E

K

G

G

V

T

T

T

A

T

M

L

R

R

G

N

L

I

S

Y

E
x
N

L

W

R

R

V

V

K
|
K

E
|
E

S

T

D

D

R
|
R

L

L

A

F

A

A

V

M

A

A

D

T

G

E

L

L

A

R

A

K

C

V

G

G

V

A

A

E

H

V

E

E

V

E

V

G

G

H

D

D

D

Y

L

I

L

R

V

I

T

T

G

P

A

P

T

E

T

K

V

L

K

N

G

-

G

F

G

A

P

E

V

I

A

A

T

T

H

Y

M

N

D

D

H
|
H

R
|
R

I

M

A

A

M

M

S

C

F

F

L

S

V

L

L

V

G

A

L

L

A

-

S

S

E

D

Q

T

G

P

V

V

S

T

V

I

D

L

D

D

V

P

A

K

F

C

I

T

A

A

T
x
K

S

T

F

F

P

P

T

D

F

Y

M

F

P

E

M

Q

M

L

active site: K22 (= K39), S23 (= S40), D49 (= D66), N94 (= N110), P119 (≠ A135), R124 (= R140), D313 (= D339), E341 (= E367), H385 (= H412), R386 (= R413), K411 (≠ T439)
binding [3r-[3a,4a,5b(r*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid: K22 (= K39), S23 (= S40), R27 (= R44), T97 (= T113), S169 (= S186), S170 (≠ A187), Q171 (= Q188), S197 (≠ R209), Y200 (≠ T212), D313 (= D339), N336 (≠ E362), K340 (= K366), R344 (= R370), H385 (= H412), R386 (= R413)

1x8rA Epsps liganded with the (s)-phosphonate analog of the tetrahedral reaction intermediate (see paper)
29% identity, 92% coverage: 31:448/456 of query aligns to 14:420/427 of 1x8rA

query
sites
1x8rA

G

G

R

T

V

I

R

N

V

L

P

P

G

G

D

S

K
|
K

S
|
S

V

V

S

S

H

N

R
|
R

A

A

L

L

I

L

F

L

G

A

L

A

F

L

A

A

E

H

G

G

I

K

T

T

R

V

I

L

T

T

G

N

L

L

E

D

G

S

E

D

D
|
D

V

V

L

R

N

H

T

M

A

L

K

N

A

A

C

L

A

T

A

A

L

L

G

G

A

V

R

S

V

Y

T

T

R

L

R

S

G

A

P

D

-

R

G

T

E

R

W

C

E

E

V

I

E

I

G

G

A

N

G

G

A

G

D

P

G

L

L

H

S

A

S

E

P

G

A

A

A

L

P

E

L

L

D

F

F

L

G

G

N
|
N

S

A

G
|
G

T
|
T

G

A

V

M

R

R

L

P

M

L

M

A

G

A

A

A

V

L

A

C

-

L

-

G

G

S

Q

N

D

D

V

I

T

V

A

L

T

T

F

-

D

-

G

G

D

E

A
x
P

S

R

L

M

R

K

R

E

R
|
R

P

P

M

I

K

G

R

H

V

L

L

V

D

D

P

A

L

L

T

R

A

L

M

G

G

G

V

A

E

K

I

I

V

T

D

Y

S

L

A

E

E

Q

G

E

G

N

R

Y

L

P

P

P

L

L

T

R

L

L

K

Q

G

G

S

G

D

F

R

T

T

G

K

G

A

N

I

V

T

D

Y

V

E

D

T

G

P

S

M

V

P

-

S
|
S

A
x
S

Q
|
Q

V

F

K

L

S

T

A

A

V

L

L

L

L

M

A

T

G

A

L

P

G

L

A

A

A

P

G

E

E

D

T

T

V

V

V

I

-

R

-

I

-

K

-

G

-

D

I

L

E

V

R
x
S

E

K

A

P

T
x
Y

R

I

D

D

H

I

T

T

E

L

R

N

M

L

L

M

A

K

H

T

F

F

G

G

A

-

D

-

V

-

R

-

V

V

E

E

P

I

H

E

G

N

A

Q

H

H

G

Y

R

Q

I

F

A

V

L

V

K

K

G

G

R

G

P

Q

T

S

L

Y

V

Q

A

S

-

P

A

G

P

T

V

Y

D

L

V

V

P

E

A

G

D

D

P

A

S

S

A

A

A

S

F

Y

P

F

L

L

V

A

A

A

L

A

I

I

V

-

P

K

G

G

S

G

D

T

V

V

T

K

L

V

T

T

D

G

V

I

M

G

M

R

N

N

P

S

L

M

R

Q

T

G

G

D

L

I

-

R

-

F

I

A

T

D

T

V

L

L

L

E

E

K

M

M

G

G

A

A

S

T

I

I

E

-

V

-

A

-

E

-

R

-

T

C

E

W

G

G

G

D

E

D

R

Y

V

I

A

S

D

C

L

T

R

R

V

-

R

-

H

-

S

G

R

E

L

L

K

N

G

A

V

I

E

D

V

M

P

D

P

M

E

N

R

H

A

I

P

P

A

-

M

-

I

-

D
|
D

E

A

Y

A

P

M

I

T

L

I

A

A

V

T

A

A

A

L

F

F

A

A

E

K

G

G

V

T

T

T

A

T

M

L

R

R

G

N

L

I

S

Y

E
x
N

L

W

R

R

V

V

K
|
K

E
|
E

S

T

D

D

R

R

L

L

A

F

A

A

V

M

A

A

D

T

G

E

L

L

A

R

A

K

C

V

G

G

V

A

A

E

H

V

E

E

V

E

V

G

G

H

D

D

D

Y

L

I

L

R

V

I

T

T

G

P

A

P

T

E

T

K

V

L

K

N

G

-

G

F

G

A

P

E

V

I

A

A

T

T

H

Y

M

N

D

D

H
|
H

R
|
R

I

M

A

A

M

M

S

C

F

F

L

S

V

L

L

V

G

A

L

L

A

-

S

S

E

D

Q

T

G

P

V

V

S

T

V

I

D

L

D

D

V

P

A

K

F

C

I

T

A

A

T
x
K

S

T

F

F

P

P

T

D

F

Y

M

F

P

E

M

Q

M

L

active site: K22 (= K39), S23 (= S40), D49 (= D66), N94 (= N110), P119 (≠ A135), R124 (= R140), D313 (= D339), E341 (= E367), H385 (= H412), R386 (= R413), K411 (≠ T439)
binding [3r-[3a,4a,5b(s*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid: K22 (= K39), S23 (= S40), R27 (= R44), G96 (= G112), T97 (= T113), R124 (= R140), S169 (= S186), S170 (≠ A187), Q171 (= Q188), S197 (≠ R209), Y200 (≠ T212), D313 (= D339), N336 (≠ E362), K340 (= K366), E341 (= E367), H385 (= H412), K411 (≠ T439)

1g6tA Structure of epsp synthase liganded with shikimate-3-phosphate (see paper)
29% identity, 92% coverage: 31:448/456 of query aligns to 14:420/427 of 1g6tA

query
sites
1g6tA

G

G

R

T

V

I

R

N

V

L

P

P

G

G

D

S

K
|
K

S
|
S

V

V

S

S

H

N

R
|
R

A

A

L

L

I

L

F

L

G

A

L

A

F

L

A

A

E

H

G

G

I

K

T

T

R

V

I

L

T

T

G

N

L

L

E

D

G

S

E

D

D
|
D

V

V

L

R

N

H

T

M

A

L

K

N

A

A

C

L

A

T

A

A

L

L

G

G

A

V

R

S

V

Y

T

T

R

L

R

S

G

A

P

D

-

R

G

T

E

R

W

C

E

E

V

I

E

I

G

G

A

N

G

G

A

G

D

P

G

L

L

H

S

A

S

E

P

G

A

A

A

L

P

E

L

L

D

F

F

L

G

G

N
|
N

S

A

G
|
G

T
|
T

G

A

V

M

R

R

L

P

M

L

M

A

G

A

A

A

V

L

A

C

-

L

-

G

G

S

Q

N

D

D

V

I

T

V

A

L

T

T

F

-

D

-

G

G

D

E

A
x
P

S

R

L

M

R

K

R

E

R
|
R

P

P

M

I

K

G

R

H

V

L

L

V

D

D

P

A

L

L

T

R

A

L

M

G

G

G

V

A

E

K

I

I

V

T

D

Y

S

L

A

E

E

Q

G

E

G

N

R

Y

L

P

P

P

L

L

T

R

L

L

K

Q

G

G

S

G

D

F

R

T

T

G

K

G

A

N

I

V

T

D

Y

V

E

D

T

G

P

S

M

V

P

-

S
|
S

A
x
S

Q
|
Q

V

F

K

L

S

T

A

A

V

L

L

L

L

M

A

T

G

A

L

P

G

L

A

A

A

P

G

E

E

D

T

T

V

V

V

I

-

R

-

I

-

K

-

G

-

D

I

L

E

V

R
x
S

E

K

A

P

T
x
Y

R

I

D

D

H

I

T

T

E

L

R

N

M

L

L

M

A

K

H

T

F

F

G

G

A

-

D

-

V

-

R

-

V

V

E

E

P

I

H

E

G

N

A

Q

H

H

G

Y

R

Q

I

F

A

V

L

V

K

K

G

G

R

G

P

Q

T

S

L

Y

V

Q

A

S

-

P

A

G

P

T

V

Y

D

L

V

V

P

E

A

G

D

D

P

A

S

S

A

A

A

S

F

Y

P

F

L

L

V

A

A

A

L

A

I

I

V

-

P

K

G

G

S

G

D

T

V

V

T

K

L

V

T

T

D

G

V

I

M

G

M

R

N

N

P

S

L

M

R

Q

T

G

G

D

L

I

-

R

-

F

I

A

T

D

T

V

L

L

L

E

E

K

M

M

G

G

A

A

S

T

I

I

E

-

V

-

A

-

E

-

R

-

T

C

E

W

G

G

G

D

E

D

R

Y

V

I

A

S

D

C

L

T

R

R

V

-

R

-

H

-

S

G

R

E

L

L

K

N

G

A

V

I

E

D

V

M

P

D

P

M

E

N

R

H

A

I

P

P

A

-

M

-

I

-

D
|
D

E

A

Y

A

P

M

I

T

L

I

A

A

V

T

A

A

A

L

F

F

A

A

E

K

G

G

V

T

T

T

A

T

M

L

R

R

G

N

L

I

S

Y

E
x
N

L

W

R

R

V

V

K
|
K

E
|
E

S

T

D

D

R

R

L

L

A

F

A

A

V

M

A

A

D

T

G

E

L

L

A

R

A

K

C

V

G

G

V

A

A

E

H

V

E

E

V

E

V

G

G

H

D

D

D

Y

L

I

L

R

V

I

T

T

G

P

A

P

T

E

T

K

V

L

K

N

G

-

G

F

G

A

P

E

V

I

A

A

T

T

H

Y

M

N

D

D

H
|
H

R
|
R

I

M

A

A

M

M

S

C

F

F

L

S

V

L

L

V

G

A

L

L

A

-

S

S

E

D

Q

T

G

P

V

V

S

T

V

I

D

L

D

D

V

P

A

K

F

C

I

T

A

A

T
x
K

S

T

F

F

P

P

T

D

F

Y

M

F

P

E

M

Q

M

L

active site: K22 (= K39), S23 (= S40), D49 (= D66), N94 (= N110), P119 (≠ A135), R124 (= R140), D313 (= D339), E341 (= E367), H385 (= H412), R386 (= R413), K411 (≠ T439)
binding phosphate ion: K22 (= K39), G96 (= G112), T97 (= T113), R124 (= R140), Q171 (= Q188), E341 (= E367), K411 (≠ T439)
binding shikimate-3-phosphate: K22 (= K39), S23 (= S40), R27 (= R44), T97 (= T113), S169 (= S186), S170 (≠ A187), Q171 (= Q188), S197 (≠ R209), Y200 (≠ T212), D313 (= D339), N336 (≠ E362), K340 (= K366)

Query Sequence

>WP_012113130.1 NCBI__GCF_000017645.1:WP_012113130.1
MSATRSAAPASGHGDGPAQPATALRSPALTGRVRVPGDKSVSHRALIFGLFAEGITRITG
LLEGEDVLNTAKACAALGARVTRRGPGEWEVEGAGADGLSSPAAPLDFGNSGTGVRLMMG
AVAGQDVTATFDGDASLRRRPMKRVLDPLTAMGVEIVDSAEGGRLPLTLKGSDRTKAITY
ETPMPSAQVKSAVLLAGLGAAGETVVIEREATRDHTERMLAHFGADVRVEPHGAHGRRIA
LKGRPTLVAAPVDVPADPSSAAFPLVAALIVPGSDVTLTDVMMNPLRTGLITTLLEMGAS
IEVVAERTEGGERVADLRVRHSRLKGVEVPPERAPAMIDEYPILAVAAAFAEGVTAMRGL
SELRVKESDRLAAVADGLAACGVAHEVVGDDLLVTGATTVKGGGPVATHMDHRIAMSFLV
LGLASEQGVSVDDVAFIATSFPTFMPMMRGLGAVIS

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