SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_029908949.1 NCBI__GCF_000711315.1:WP_029908949.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

3slhD 1.70 angstrom resolution structure of 3-phosphoshikimate 1- carboxyvinyltransferase (aroa) from coxiella burnetii in complex with shikimate-3-phosphate and glyphosate
53% identity, 98% coverage: 7:445/448 of query aligns to 5:435/440 of 3slhD

query
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3slhD

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active site: K23 (= K25), S24 (= S26), D50 (= D52), N95 (= N96), R125 (= R126), D317 (= D325), E345 (= E353), H388 (= H398), R389 (= R399), T415 (= T425)
binding glyphosate: K23 (= K25), G97 (= G98), T98 (= T99), R125 (= R126), Q171 (= Q174), D317 (= D325), E345 (= E353), R348 (= R356), H388 (= H398), R389 (= R399)
binding shikimate-3-phosphate: S24 (= S26), R28 (= R30), S169 (= S172), Q171 (= Q174), R196 (= R199), D317 (= D325), K344 (= K352)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S24 (= S26), R28 (= R30), T98 (= T99), Q171 (= Q174), R196 (= R199), D317 (= D325), K344 (= K352)

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)
53% identity, 98% coverage: 7:445/448 of query aligns to 3:433/438 of Q83E11

query
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Q83E11

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K21 (= K25) binding phosphoenolpyruvate
S22 (= S26) binding 3-phosphoshikimate
R26 (= R30) binding 3-phosphoshikimate
NSGT 93:96 (= NSGT 96:99) Phosphoenolpyruvate
G95 (= G98) binding phosphoenolpyruvate
T96 (= T99) binding phosphoenolpyruvate
R123 (= R126) binding phosphoenolpyruvate
S167 (= S172) binding 3-phosphoshikimate
A168 (= A173) binding 3-phosphoshikimate
Q169 (= Q174) binding 3-phosphoshikimate; binding phosphoenolpyruvate
D315 (= D325) binding 3-phosphoshikimate
K342 (= K352) binding 3-phosphoshikimate
R346 (= R356) binding phosphoenolpyruvate
R387 (= R399) binding phosphoenolpyruvate

4egrA 2.50 angstrom resolution structure of 3-phosphoshikimate 1- carboxyvinyltransferase (aroa) from coxiella burnetii in complex with phosphoenolpyruvate
53% identity, 98% coverage: 7:445/448 of query aligns to 5:431/434 of 4egrA

query
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4egrA

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R

R

V

V

K

K

E
|
E

S

T

D

D

R
|
R

I

I

Q

A

V

A

M

M

A

V

D

D

A

G

L

L

I

Q

A

K

V

L

G

G

I

I

D

A

A

A

Q

E

P

S

T

L

P

P

D

D

G

G

M

V

V

I

I

I

N

Q

G

G

Q

T

Q

L

K

E

S

G

Q

-

V

-

G

G

G

E

I

V

N

N

S

S

H

Y

H

D

D

D

H
|
H

R
|
R

I

I

S

A

M

M

A

A

M

F

T

A

V

V

A

A

G

G

L

T

N

L

A

A

V

K

D

G

D

P

I

V

V

R

I

I

D

R

D

N

C

C

A

D

N

N

V

V

N

K

T
|
T

S

S

F

F

P

P

T

N

F

F

V

V

Q

E

L

L

V

A

N

N

Q

E

I

V

G

G

M

M

T

N

V

V

N

K

V

G

V

V

K

R

active site: K23 (= K25), S24 (= S26), D50 (= D52), N95 (= N96), R125 (= R126), D313 (= D325), E341 (= E353), H384 (= H398), R385 (= R399), T411 (= T425)
binding phosphoenolpyruvate: K23 (= K25), G97 (= G98), T98 (= T99), R125 (= R126), D313 (= D325), E341 (= E353), R344 (= R356), R385 (= R399)

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)
50% identity, 93% coverage: 15:430/448 of query aligns to 10:417/427 of Q9S400

query
sites
Q9S400

L

L

K

H

G

G

R

S

I

I

R

R

V

V

P

P

G

G

D

D

K

K

S
|
S

V

I

S

S

H

H

R
|
R

S

S

I

I

M

I

L

F

G

G

S

S

I

L

A

A

E

E

G

G

T

E

T

T

R

K

V

V

T

Y

G

D

F

I

L

L

E

R

G

G

E

E

D

D

S

V

L

L

A

S

T

T

L

M

Q

Q

A

V

F

F

K

R

D

D

M

L

G

G

V

V

Q

E

I

I

E

E

G

D

P

K

D

D

Q

-

G

G

N

V

V

I

T

T

I

I

H

Q

G

G

V

V

G

G

L

M

R

A

G

G

L

L

K

K

K

A

P

P

S

Q

N

N

P

A

L

L

D

N

M

M

G

G

N

N

S

S

G

G

T

T

A

S

M

I

R

R

L

L

M

I

A

S

G

G

I

V

L

L

A

A

G

G

Q

A

D

D

F

F

E

E

C

V

T

E

L

M

I

F

G

G

D

D

A

D

S

S

L

L

S

S

K

K

R

R

P

P

M

M

K

D

R

R

V

V

T

T

Q

L

P

P

L

L

S

K

E

K

M

M

G

G

A

V

D

S

I

I

D

S

-

G

T

Q

A

T

E

E

G

R

G

D

M

L

P

P

L

L

H

R

L

L

K

K

P

G

T

T

K

K

T

N

G

-

L

L

N

R

A

P

I

I

D

H

Y

Y

T

E

L

L

P

P

M

I

A

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

C

A

V

L

L

M

L

F

A

A

G

A

L

L

Y

Q

A

A

N

K

G

G

T

E

T

S

S

V

V

I

E

E

P

K

A

E

P

Y

T

T

R

R

D

N

H

H

T

T

E

E

R

D

M

M

L

L

K

K

G

Q

F

F

G

G

Y

G

D

H

V

L

K

S

T

V

E

D

K

G

L

-

D

-

S

-

M

-

Q

-

T

K

R

K

V

I

E

T

L

V

K

Q

G

G

G

P

G

Q

V

K

L

L

K

T

A

G

M

Q

D

K

I

V

D

V

V

V

P

P

S

G

D

D

I

I

S

S

A

A

F

F

F

W

M

L

V

V

A

A

A

G

A

L

I

I

A

A

P

P

E

N

A

S

D

R

L

L

V

V

I

L

E

Q

H

N

V

V

G

G

I

I

N

N

P

E

T

T

R

R

T

T

G

G

V

I

I

I

D

D

I

V

L

I

K

R

L

A

M

M

G

G

A

G

D

K

I

L

T

E

L

I

E

T

N

E

E

I

S

D

T

P

V

V

G

A

G

K

E

S

P

-

V

-

A

A

D

T

I

L

H

I

V

V

K

E

S

S

K

D

L

L

K

K

G

G

I

T

K

E

I

I

P

G

E

G

A

A

L

L

V

I

P

P

L

R

A

L

I

I

D
|
D

E

E

F

L

P

P

V

I

L

I

F

A

V

L

A

L

A

A

A

T

A

Q

A

A

E

Q

G

G

Q

V

T

T

V

V

L

I

T

K

G

D

A

A

E

E

L

L

R

K

V

V

K
|
K

E

E

S

T

D

D

R

R

I

I

Q

Q

V

V

M

V

A

A

D

D

A

A

L

L

I

N

A

S

V

M

G

G

I

A

D

D

A

I

Q

T

P

P

T

T

P

A

D

D

G

G

M

M

V

I

I

I

N

K

G

G

G

-

Q

-

K

K

S

S

Q

A

V

L

G

H

G

G

-

A

-

R

I

V

N

N

S

T

H

F

H

G

D

D

H

H

R

R

I

I

S

G

M

M

A

M

M

T

T

A

V

I

A

A

G

A

L

L

N

L

A

V

V

A

D

D

-

G

D

E

I

V

V

E

I

L

D

D

D

R

C

A

A

E

N

A

V

I

N

N

T

T

S

S

F

Y

P

P

T

S

F

F

S21 (= S26) binding 3-phosphoshikimate
R25 (= R30) binding 3-phosphoshikimate
S166 (= S172) binding 3-phosphoshikimate
A167 (= A173) binding 3-phosphoshikimate
Q168 (= Q174) binding 3-phosphoshikimate
D312 (= D325) binding 3-phosphoshikimate
K339 (= K352) binding 3-phosphoshikimate

1rf6A Structural studies of streptococcus pneumoniae epsp synthase in s3p- glp bound state (see paper)
49% identity, 93% coverage: 15:430/448 of query aligns to 10:417/427 of 1rf6A

query
sites
1rf6A

L

L

K

H

G

G

R

I

I

I

R

R

V

V

P

P

G

G

D

D

K
|
K

S
|
S

V

I

S

S

H

H

R
|
R

S

S

I

I

M

I

L

F

G

G

S

S

I

L

A

A

E

E

G

G

T

E

T

T

R

K

V

V

T

Y

G

D

F

I

L

L

E

R

G

G

E

E

D
|
D

S

V

L

L

A

S

T

T

L

M

Q

Q

A

V

F

F

K

R

D

D

M

L

G

G

V

V

Q

E

I

I

E

E

G

D

P

K

D

D

Q

-

G

G

N

V

V

I

T

T

I

V

H

Q

G

G

V

V

G

G

L

M

R

A

G

G

L

L

K

K

K

A

P

P

S

Q

N

N

P

A

L

L

D

N

M

M

G

G

N
|
N

S

S

G
|
G

T
|
T

A

S

M

I

R

R

L

L

M

I

A

S

G

G

I

V

L

L

A

A

G

G

Q

A

D

D

F

F

E

E

C

V

T

E

L

M

I

F

G

G

D

D

A
x
D

S

S

L

L

S

S

K

K

R
|
R

P

P

M

M

K

D

R

R

V

V

T

T

Q

L

P

P

L

L

S

K

E

K

M

M

G

G

A

V

D

S

I

I

D

S

-

G

T

Q

A

T

E

E

G

R

G

D

M

L

P

P

L

L

H

R

L

L

K

K

P

G

T

T

K

K

T

N

G

-

L

L

N

R

A

P

I

I

D

H

Y

Y

T

E

L

L

P

P

M

I

A

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

C

A

V

L

L

M

L

F

A

A

G

A

L

L

Y

Q

A

A

N

K

G

G

T

E

T

S

S

V

V

I

E

E

P

K

A

E

P

Y

T

T

R
|
R

D

N

H

H

T

T

E

E

R

D

M

M

L

L

K

Q

G

Q

F

F

G

G

Y

G

D

H

V

L

K

S

T

V

E

D

K

G

L

-

D

-

S

-

M

-

Q

-

T

K

R

K

V

I

E

T

L

V

K

Q

G

G

G

P

G

Q

V

K

L

L

K

T

A

G

M

Q

D

K

I

V

D

V

V

V

P

P

S

G

D

D

I

I

S

S

A

A

F

F

F

W

M

L

V

V

A

A

A

G

A

L

I

I

A

A

P

P

E

N

A

S

D

R

L

L

V

V

I

L

E

Q

H

N

V

V

G

G

I

I

N

N

P

E

T

T

R

R

T

T

G

G

V

I

I

I

D

D

I

V

L

I

K

R

L

A

M

M

G

G

A

G

D

K

I

L

T

E

L

I

E

T

N

E

E

I

S

D

T

P

V

V

G

A

G

K

E

S

P

-

V

-

A

A

D

T

I

L

H

I

V

V

K

E

S

S

K

D

L

L

K

K

G

G

I

T

K

E

I

I

P

C

E

G

A

A

L

L

V

I

P

P

L

R

A

L

I
|
I

D
|
D

E

E

F

L

P

P

V

I

L

I

F

A

V

L

A

L

A

A

A

T

A

Q

A

A

E

Q

G

G

Q

V

T

T

V

V

L

I

T

K

G

D

A

A

E

E

L

L

R

K

V

V

K
|
K

E
|
E

S

T

D

D

R
|
R

I

I

Q

Q

V

V

M

V

A

A

D

D

A

A

L

L

I

N

A

S

V

M

G

G

I

A

D

D

A

I

Q

T

P

P

T

T

P

A

D

D

G

G

M

M

V

I

I

I

N

K

G

G

G

-

Q

-

K

K

S

S

Q

A

V

L

G

H

G

G

-

A

-

R

I

V

N

N

S

T

H

F

H

G

D

D

H
|
H

R
|
R

I

I

S

G

M

M

A

M

M

T

T

A

V

I

A

A

G

A

L

L

N

L

A

V

V

A

D

D

-

G

D

E

I

V

V

E

I

L

D

D

D

R

C

A

A

E

N

A

V

I

N

N

T
|
T

S

S

F

Y

P

P

T

S

F

F

active site: K20 (= K25), S21 (= S26), D47 (= D52), N90 (= N96), D115 (≠ A121), R120 (= R126), D312 (= D325), E340 (= E353), H384 (= H398), R385 (= R399), T412 (= T425)
binding glyphosate: K20 (= K25), G92 (= G98), T93 (= T99), R120 (= R126), Q168 (= Q174), D312 (= D325), E340 (= E353), R343 (= R356), H384 (= H398), R385 (= R399)
binding shikimate-3-phosphate: S21 (= S26), R25 (= R30), S166 (= S172), Q168 (= Q174), R193 (= R199), I311 (= I324), D312 (= D325), K339 (= K352)

1rf4A Structural studies of streptococcus pneumoniae epsp synthase, tetrahedral intermediate bound state (see paper)
49% identity, 93% coverage: 15:430/448 of query aligns to 10:417/427 of 1rf4A

query
sites
1rf4A

L

L

K

H

G

G

R

I

I

I

R

R

V

V

P

P

G

G

D

D

K
|
K

S
|
S

V

I

S

S

H

H

R
|
R

S

S

I

I

M

I

L

F

G

G

S

S

I

L

A

A

E

E

G

G

T

E

T

T

R

K

V

V

T

Y

G

D

F

I

L

L

E

R

G

G

E

E

D
|
D

S

V

L

L

A

S

T

T

L

M

Q

Q

A

V

F

F

K

R

D

D

M

L

G

G

V

V

Q

E

I

I

E

E

G

D

P

K

D

D

Q

-

G

G

N

V

V

I

T

T

I

V

H

Q

G

G

V

V

G

G

L

M

R

A

G

G

L

L

K

K

K

A

P

P

S

Q

N

N

P

A

L

L

D

N

M

M

G

G

N
|
N

S

S

G
|
G

T
|
T

A

S

M

I

R

R

L

L

M

I

A

S

G

G

I

V

L

L

A

A

G

G

Q

A

D

D

F

F

E

E

C

V

T

E

L

M

I

F

G

G

D

D

A
x
D

S

S

L

L

S

S

K

K

R
|
R

P

P

M

M

K

D

R

R

V

V

T

T

Q

L

P

P

L

L

S

K

E

K

M

M

G

G

A

V

D

S

I

I

D

S

-

G

T

Q

A

T

E

E

G

R

G

D

M

L

P

P

L

L

H

R

L

L

K

K

P

G

T

T

K

K

T

N

G

-

L

L

N

R

A

P

I

I

D

H

Y

Y

T

E

L

L

P

P

M

I

A

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

C

A

V

L

L

M

L

F

A

A

G

A

L

L

Y

Q

A

A

N

K

G

G

T

E

T

S

S

V

V

I

E

E

P

K

A

E

P

Y

T

T

R
|
R

D

N

H

H

T

T

E

E

R

D

M

M

L

L

K

Q

G

Q

F

F

G

G

Y

G

D

H

V

L

K

S

T

V

E

D

K

G

L

-

D

-

S

-

M

-

Q

-

T

K

R

K

V

I

E

T

L

V

K

Q

G

G

G

P

G

Q

V

K

L

L

K

T

A

G

M

Q

D

K

I

V

D

V

V

V

P

P

S

G

D

D

I

I

S

S

A

A

F

F

F

W

M

L

V

V

A

A

A

G

A

L

I

I

A

A

P

P

E

N

A

S

D

R

L

L

V

V

I

L

E

Q

H

N

V

V

G

G

I

I

N

N

P

E

T

T

R

R

T

T

G

G

V

I

I

I

D

D

I

V

L

I

K

R

L

A

M

M

G

G

A

G

D

K

I

L

T

E

L

I

E

T

N

E

E

I

S

D

T

P

V

V

G

A

G

K

E

S

P

-

V

-

A

A

D

T

I

L

H

I

V

V

K

E

S

S

K

D

L

L

K

K

G

G

I

T

K

E

I

I

P

C

E

G

A

A

L

L

V

I

P

P

L

R

A

L

I

I

D
|
D

E

E

F

L

P

P

V

I

L

I

F

A

V

L

A

L

A

A

A

T

A

Q

A

A

E

Q

G

G

Q

V

T

T

V

V

L

I

T

K

G

D

A

A

E

E

L

L

R

K

V

V

K
|
K

E
|
E

S

T

D

D

R
|
R

I

I

Q

Q

V

V

M

V

A

A

D

D

A

A

L

L

I

N

A

S

V

M

G

G

I

A

D

D

A

I

Q

T

P

P

T

T

P

A

D

D

G

G

M

M

V

I

I

I

N

K

G

G

G

-

Q

-

K

K

S

S

Q

A

V

L

G

H

G

G

-

A

-

R

I

V

N

N

S

T

H

F

H

G

D

D

H
|
H

R
|
R

I

I

S

G

M

M

A

M

M

T

T

A

V

I

A

A

G

A

L

L

N

L

A

V

V

A

D

D

-

G

D

E

I

V

V

E

I

L

D

D

D

R

C

A

A

E

N

A

V

I

N

N

T
|
T

S

S

F

Y

P

P

T

S

F

F

active site: K20 (= K25), S21 (= S26), D47 (= D52), N90 (= N96), D115 (≠ A121), R120 (= R126), D312 (= D325), E340 (= E353), H384 (= H398), R385 (= R399), T412 (= T425)
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 (= K25), S21 (= S26), R25 (= R30), G92 (= G98), T93 (= T99), R120 (= R126), S166 (= S172), A167 (= A173), Q168 (= Q174), R193 (= R199), D312 (= D325), K339 (= K352), E340 (= E353), R343 (= R356), H384 (= H398), R385 (= R399)

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)
47% identity, 96% coverage: 15:443/448 of query aligns to 18:449/455 of Q9R4E4

query
sites
Q9R4E4

L

L

K

S

G

G

R

T

I

V

R

R

V

I

P

P

G

G

D

D

K

K

S
|
S

V

I

S

S

H

H

R
|
R

S

S

I

F

M

M

L

F

G

G

S

G

I

L

A

A

E

S

G

G

T

E

T

T

R

R

V

I

T

T

G

G

F

L

L

L

E

E

G

G

E

E

D

D

S

V

L

I

A

N

T

T

L

G

Q

K

A

A

F

M

K

Q

D

A

M

M

G

G

V

A

Q

R

I

I

E

R

G

-

P

-

D

K

Q

E

G

G

N

D

V

T

T

W

I

I

-

I

H

D

G

G

V

V

G

G

L

N

R

G

G

G

L

L

K

L

K

A

P

P

S

E

N

A

P

P

L

L

D

D

M

F

G

G

N

N

S

A

G
x
A

T

T

A

G

M

C

R

R

L

L

M

T

A

M

G

G

I

L

L

V

A

G

G

V

Q

Y

D

D

F

F

E

D

C

S

T

T

L

F

I

I

G

G

D

D

A

A

S

S

L

L

S

T

K

K

R

R

P

P

M

M

K

G

R

R

V

V

T

L

Q

N

P

P

L

L

S

R

E

E

M

M

G

G

A

V

D

Q

I

V

D

K

T

S

A

E

E

D

G

G

G

D

M

R

P

L

P

P

L

V

H

T

L

L

K

R

P

G

T

P

K

K

T

T

G

P

L

-

N

T

A

P

I

I

D

T

Y

Y

T

R

L

V

P

P

M

M

A

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

C

A

V

V

L

L

A

A

G

G

L

L

Y

N

A

T

N

P

G

G

T

I

T

T

S

T

V

V

V

I

E

E

P

P

A

I

P

M

T

T

R

R

D

D

H

H

T

T

E

E

R

K

M

M

L

L

K

Q

G

G

F

F

G

G

Y

A

D

N

V

L

K

T

T

V

E

E

K

T

-

D

L

A

D

D

S

G

M

V

Q

R

T

T

R

-

V

I

E

R

L

L

K

E

G

G

G

R

G

G

V

K

L

L

K

T

A

G

M

Q

D

V

I

I

D

D

V

V

P

P

S

G

D

D

I

P

S

S

A

T

A

A

F

F

F

P

M

L

V

V

A

A

A

L

I

L

A

V

P

P

E

G

A

S

D

D

L

V

V

T

I

I

E

L

H

N

V

V

G

L

I

M

N

N

P

P

T

T

R

R

T

T

G

G

V

L

I

I

D

L

I

T

L

L

K

Q

L

E

M

M

G

G

A

A

D

D

I

I

T

E

L

V

E

I

N

N

E

P

S

R

T

L

V

A

G

G

E

E

P

D

V

V

A

A

D

D

I

L

H

R

V

V

K

R

S

S

K

T

L

L

K

K

G

G

I

V

K

T

I

V

P

P

E

E

A

D

L

R

V

A

P

P

L

S

A

M

I

I

D
|
D

E

E

F

Y

P

P

V

I

L

L

F

A

V

V

A

A

A

F

A

A

E

E

G

G

Q

A

T

T

V

V

L

M

T

N

G

G

A

L

E

E

L

L

R

R

V

V

K
|
K

E

E

S

S

D

D

R

R

I

L

Q

S

V

A

M

V

A

A

D

N

A

G

L

L

I

K

A

L

V

N

G

G

I

V

D

D

A

C

Q

D

P

E

T

G

P

E

D

T

G

S

M

L

V

V

I

V

N

R

G

G

-

R

-

P

-

D

-

G

-

K

G

G

Q

L

Q

G

K

N

S

A

Q

S

V

G

G

A

I

V

N

A

S

T

H

H

H

L

D

D

H

H

R

R

I

I

S

A

M

M

A

S

M

F

T

L

V

V

A

M

G

G

L

L

N

V

A

S

V

E

D

N

D

P

I

V

V

T

I

V

D

D

C

A

A

T

N

M

V

I

N

A

T

T

S

S

F

F

P

P

T

E

F

F

V

M

Q

D

L

L

V

M

N

A

Q

G

I

L

G

G

M

A

T

K

V

I

N

E

V

L

S29 (= S26) binding 3-phosphoshikimate
R33 (= R30) binding 3-phosphoshikimate
A100 (≠ G98) mutation to G: Confers sensitivity to glyphosate allowing glyphosate to bind in its extended, inhibitory conformation.
S173 (= S172) binding 3-phosphoshikimate
A174 (= A173) binding 3-phosphoshikimate
Q175 (= Q174) binding 3-phosphoshikimate
D326 (= D325) binding 3-phosphoshikimate
K353 (= K352) binding 3-phosphoshikimate

2pqcA Cp4 epsps liganded with (r)-phosphonate tetrahedral reaction intermediate analog (see paper)
47% identity, 96% coverage: 15:443/448 of query aligns to 13:444/445 of 2pqcA

query
sites
2pqcA

L

L

K

S

G

G

R

T

I

V

R

R

V

I

P

P

G

G

D

D

K
|
K

S
|
S

V

I

S

S

H

H

R
|
R

S

S

I

F

M

M

L

F

G

G

S

G

I

L

A

A

E

S

G

G

T

E

T

T

R

R

V

I

T

T

G

G

F

L

L

L

E

E

G

G

E

E

D
|
D

S

V

L

I

A

N

T

T

L

G

Q

K

A

A

F

M

K

Q

D

A

M

M

G

G

V

A

Q

R

I

I

E

R

G

-

P

-

D

K

Q

E

G

G

N

D

V

T

T

W

I

I

-

I

H

D

G

G

V

V

G

G

L

N

R

G

G

G

L

L

K

L

K

A

P

P

S

E

N

A

P

P

L

L

D

D

M

F

G

G

N
|
N

S

A

G

A

T
|
T

A

G

M

C

R

R

L

L

M

T

A

M

G

G

I

L

L

V

A

G

G

V

Q

Y

D

D

F

F

E

D

C

S

T

T

L

F

I

I

G

G

D

D

A

A

S

S

L

L

S

T

K

K

R
|
R

P

P

M

M

K

G

R

R

V

V

T

L

Q

N

P

P

L

L

S

R

E

E

M

M

G

G

A

V

D

Q

I

V

D

K

T

S

A

E

E

D

G

G

G

D

M

R

P

L

P

P

L

V

H

T

L

L

K

R

P

G

T

P

K

K

T

T

G

P

L

-

N

T

A

P

I

I

D

T

Y

Y

T

R

L

V

P

P

M

M

A

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

C

A

V

V

L

L

A

A

G

G

L

L

Y

N

A

T

N

P

G

G

T

I

T

T

S

T

V

V

V

I

E

E

P

P

A

I

P

M

T

T

R

R

D

D

H

H

T

T

E

E

R

K

M

M

L

L

K

Q

G

G

F

F

G

G

Y

A

D

N

V

L

K

T

T

V

E

E

K

T

-

D

L

A

D

D

S

G

M

V

Q

R

T

T

R

-

V

I

E

R

L

L

K

E

G

G

G

R

G

G

V

K

L

L

K

T

A

G

M

Q

D

V

I

I

D

D

V

V

P

P

S

G

D

D

I

P

S

S

A

T

A

A

F

F

F

P

M

L

V

V

A

A

A

L

I

L

A

V

P

P

E

G

A

S

D

D

L

V

V

T

I

I

E

L

H

N

V

V

G

L

I

M

N

N

P

P

T

T

R

R

T

T

G

G

V

L

I

I

D

L

I

T

L

L

K

Q

L

E

M

M

G

G

A

A

D

D

I

I

T

E

L

V

E

I

N

N

E

P

S

R

T

L

V

A

G

G

E

E

P

D

V

V

A

A

D

D

I

L

H

R

V

V

K

R

S

S

K

T

L

L

K

K

G

G

I

V

K

T

I

V

P

P

E

E

A

D

L

R

V

A

P

P

L

S

A

M

I

I

D
|
D

E

E

F

Y

P

P

V

I

L

L

F

A

V

V

A

A

A

F

A

A

E

E

G

G

Q

A

T

T

V

V

L

M

T

N

G

G

A

L

E

E

L

L

R

R

V

V

K
|
K

E
|
E

S

S

D

D

R
|
R

I

L

Q

S

V

A

M

V

A

A

D

N

A

G

L

L

I

K

A

L

V

N

G

G

I

V

D

D

A

C

Q

D

P

E

T

G

P

E

D

T

G

S

M

L

V

V

I

V

N

R

G

G

-

R

-

P

-

D

-

G

-

K

G

G

Q

L

Q

G

K

N

S

A

Q

S

V

G

G

A

I

V

N

A

S

T

H

H

H

L

D

D

H
|
H

R
|
R

I

I

S

A

M

M

A

S

M

F

T

L

V

V

A

M

G

G

L

L

N

V

A

S

V

E

D

N

D

P

I

V

V

T

I

V

D

D

C

A

A

T

N

M

V

I

N

A

T
|
T

S

S

F

F

P

P

T

E

F

F

V

M

Q

D

L

L

V

M

N

A

Q

G

I

L

G

G

M

A

T

K

V

I

N

E

V

L

active site: K23 (= K25), S24 (= S26), D50 (= D52), N93 (= N96), R123 (= R126), D321 (= D325), E349 (= E353), H399 (= H398), R400 (= R399), T426 (= T425)
binding [3r-[3a,4a,5b(r*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid: K23 (= K25), S24 (= S26), R28 (= R30), T96 (= T99), R123 (= R126), S168 (= S172), Q170 (= Q174), D321 (= D325), K348 (= K352), E349 (= E353), R352 (= R356), R400 (= R399)

2pqbA Cp4 epsps liganded with (r)-difluoromethyl tetrahedral intermediate analog (see paper)
47% identity, 96% coverage: 15:443/448 of query aligns to 13:444/445 of 2pqbA

query
sites
2pqbA

L

L

K

S

G

G

R

T

I

V

R

R

V

I

P

P

G

G

D

D

K
|
K

S
|
S

V

I

S

S

H

H

R
|
R

S

S

I

F

M

M

L

F

G

G

S

G

I

L

A

A

E

S

G

G

T

E

T

T

R

R

V

I

T

T

G

G

F

L

L

L

E

E

G

G

E

E

D
|
D

S

V

L

I

A

N

T

T

L

G

Q

K

A

A

F

M

K

Q

D

A

M

M

G

G

V

A

Q

R

I

I

E

R

G

-

P

-

D

K

Q

E

G

G

N

D

V

T

T

W

I

I

-

I

H

D

G

G

V

V

G

G

L

N

R

G

G

G

L

L

K

L

K

A

P

P

S

E

N

A

P

P

L

L

D

D

M

F

G

G

N
|
N

S

A

G
x
A

T
|
T

A

G

M

C

R

R

L

L

M

T

A

M

G

G

I

L

L

V

A

G

G

V

Q

Y

D

D

F

F

E

D

C

S

T

T

L

F

I

I

G

G

D

D

A

A

S

S

L

L

S

T

K

K

R
|
R

P

P

M

M

K

G

R

R

V

V

T

L

Q

N

P

P

L

L

S

R

E

E

M

M

G

G

A

V

D

Q

I

V

D

K

T

S

A

E

E

D

G

G

G

D

M

R

P

L

P

P

L

V

H

T

L

L

K

R

P

G

T

P

K

K

T

T

G

P

L

-

N

T

A

P

I

I

D

T

Y

Y

T

R

L

V

P

P

M

M

A

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

C

A

V

V

L

L

A

A

G

G

L

L

Y

N

A

T

N

P

G

G

T

I

T

T

S

T

V

V

V

I

E

E

P

P

A

I

P

M

T

T

R

R

D

D

H

H

T

T

E

E

R

K

M

M

L

L

K

Q

G

G

F

F

G

G

Y

A

D

N

V

L

K

T

T

V

E

E

K

T

-

D

L

A

D

D

S

G

M

V

Q

R

T

T

R

-

V

I

E

R

L

L

K

E

G

G

G

R

G

G

V

K

L

L

K

T

A

G

M

Q

D

V

I

I

D

D

V

V

P

P

S

G

D

D

I

P

S

S

A

T

A

A

F

F

F

P

M

L

V

V

A

A

A

L

I

L

A

V

P

P

E

G

A

S

D

D

L

V

V

T

I

I

E

L

H

N

V

V

G

L

I

M

N

N

P

P

T

T

R

R

T

T

G

G

V

L

I

I

D

L

I

T

L

L

K

Q

L

E

M

M

G

G

A

A

D

D

I

I

T

E

L

V

E

I

N

N

E

P

S

R

T

L

V

A

G

G

E

E

P

D

V

V

A

A

D

D

I

L

H

R

V

V

K

R

S

S

K

T

L

L

K

K

G

G

I

V

K

T

I

V

P

P

E

E

A

D

L

R

V

A

P

P

L

S

A

M

I

I

D
|
D

E

E

F

Y

P

P

V

I

L

L

F

A

V

V

A

A

A

F

A

A

E

E

G

G

Q

A

T

T

V

V

L

M

T

N

G

G

A

L

E

E

L

L

R

R

V

V

K
|
K

E
|
E

S

S

D

D

R
|
R

I

L

Q

S

V

A

M

V

A

A

D

N

A

G

L

L

I

K

A

L

V

N

G

G

I

V

D

D

A

C

Q

D

P

E

T

G

P

E

D

T

G

S

M

L

V

V

I

V

N

R

G

G

-

R

-

P

-

D

-

G

-

K

G

G

Q

L

Q

G

K

N

S

A

Q

S

V

G

G

A

I

V

N

A

S

T

H

H

H

L

D

D

H
|
H

R
|
R

I

I

S

A

M

M

A

S

M

F

T

L

V

V

A

M

G

G

L

L

N

V

A

S

V

E

D

N

D

P

I

V

V

T

I

V

D

D

C

A

A

T

N

M

V

I

N

A

T
|
T

S

S

F

F

P

P

T

E

F

F

V

M

Q

D

L

L

V

M

N

A

Q

G

I

L

G

G

M

A

T

K

V

I

N

E

V

L

active site: K23 (= K25), S24 (= S26), D50 (= D52), N93 (= N96), R123 (= R126), D321 (= D325), E349 (= E353), H399 (= H398), R400 (= R399), T426 (= T425)
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 (= K25), S24 (= S26), R28 (= R30), A95 (≠ G98), T96 (= T99), R123 (= R126), S168 (= S172), Q170 (= Q174), D321 (= D325), K348 (= K352), E349 (= E353), R352 (= R356), R400 (= R399)

2ggaA Cp4 epsp synthase liganded with s3p and glyphosate (see paper)
47% identity, 96% coverage: 15:443/448 of query aligns to 13:444/445 of 2ggaA

query
sites
2ggaA

L

L

K

S

G

G

R

T

I

V

R

R

V

I

P

P

G

G

D

D

K
|
K

S
|
S

V

I

S

S

H

H

R
|
R

S

S

I

F

M

M

L

F

G

G

S

G

I

L

A

A

E

S

G

G

T

E

T

T

R

R

V

I

T

T

G

G

F

L

L

L

E

E

G

G

E

E

D
|
D

S

V

L

I

A

N

T

T

L

G

Q

K

A

A

F

M

K

Q

D

A

M

M

G

G

V

A

Q

R

I

I

E

R

G

-

P

-

D

K

Q

E

G

G

N

D

V

T

T

W

I

I

-

I

H

D

G

G

V

V

G

G

L

N

R

G

G

G

L

L

K

L

K

A

P

P

S

E

N

A

P

P

L

L

D

D

M

F

G

G

N
|
N

S
x
A

G
x
A

T
|
T

A

G

M

C

R

R

L

L

M

T

A

M

G

G

I

L

L

V

A

G

G

V

Q

Y

D

D

F

F

E

D

C

S

T

T

L

F

I

I

G

G

D

D

A

A

S

S

L

L

S

T

K

K

R
|
R

P

P

M

M

K

G

R

R

V

V

T

L

Q

N

P

P

L

L

S

R

E

E

M

M

G

G

A

V

D

Q

I

V

D

K

T

S

A

E

E

D

G

G

G

D

M

R

P

L

P

P

L

V

H

T

L

L

K

R

P

G

T

P

K

K

T

T

G

P

L

-

N

T

A

P

I

I

D

T

Y

Y

T

R

L

V

P

P

M

M

A

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

C

A

V

V

L

L

A

A

G

G

L

L

Y

N

A

T

N

P

G

G

T

I

T

T

S

T

V

V

V

I

E

E

P

P

A

I

P

M

T

T

R
|
R

D

D

H

H

T

T

E

E

R

K

M

M

L

L

K

Q

G

G

F

F

G

G

Y

A

D

N

V

L

K

T

T

V

E

E

K

T

-

D

L

A

D

D

S

G

M

V

Q

R

T

T

R

-

V

I

E

R

L

L

K

E

G

G

G

R

G

G

V

K

L

L

K

T

A

G

M

Q

D

V

I

I

D

D

V

V

P

P

S

G

D

D

I

P

S

S

A

T

A

A

F

F

F

P

M

L

V

V

A

A

A

L

I

L

A

V

P

P

E

G

A

S

D

D

L

V

V

T

I

I

E

L

H

N

V

V

G

L

I

M

N

N

P

P

T

T

R

R

T

T

G

G

V

L

I

I

D

L

I

T

L

L

K

Q

L

E

M

M

G

G

A

A

D

D

I

I

T

E

L

V

E

I

N

N

E

P

S

R

T

L

V

A

G

G

E

E

P

D

V

V

A

A

D

D

I

L

H

R

V

V

K

R

S

S

K

T

L

L

K

K

G

G

I

V

K

T

I

V

P

P

E

E

A

D

L

R

V

A

P

P

L

S

A

M

I

I

D
|
D

E

E

F

Y

P

P

V

I

L

L

F

A

V

V

A

A

A

F

A

A

E

E

G

G

Q

A

T

T

V

V

L

M

T

N

G

G

A

L

E

E

L

L

R

R

V

V

K
|
K

E
|
E

S

S

D

D

R
|
R

I

L

Q

S

V

A

M

V

A

A

D

N

A

G

L

L

I

K

A

L

V

N

G

G

I

V

D

D

A

C

Q

D

P

E

T

G

P

E

D

T

G

S

M

L

V

V

I

V

N

R

G

G

-

R

-

P

-

D

-

G

-

K

G

G

Q

L

Q

G

K

N

S

A

Q

S

V

G

G

A

I

V

N

A

S

T

H

H

H

L

D

D

H
|
H

R
|
R

I

I

S

A

M

M

A

S

M

F

T

L

V

V

A

M

G

G

L

L

N

V

A

S

V

E

D

N

D

P

I

V

V

T

I

V

D

D

C

A

A

T

N

M

V

I

N

A

T
|
T

S

S

F

F

P

P

T

E

F

F

V

M

Q

D

L

L

V

M

N

A

Q

G

I

L

G

G

M

A

T

K

V

I

N

E

V

L

active site: K23 (= K25), S24 (= S26), D50 (= D52), N93 (= N96), R123 (= R126), D321 (= D325), E349 (= E353), H399 (= H398), R400 (= R399), T426 (= T425)
binding glyphosate: K23 (= K25), A94 (≠ S97), A95 (≠ G98), T96 (= T99), R123 (= R126), D321 (= D325), E349 (= E353), R352 (= R356), R400 (= R399)
binding shikimate-3-phosphate: S24 (= S26), R28 (= R30), S168 (= S172), A169 (= A173), Q170 (= Q174), R195 (= R199), D321 (= D325), K348 (= K352)

2gg6A Cp4 epsp synthase liganded with s3p (see paper)
47% identity, 96% coverage: 15:443/448 of query aligns to 13:444/445 of 2gg6A

query
sites
2gg6A

L

L

K

S

G

G

R

T

I

V

R

R

V

I

P

P

G

G

D

D

K
|
K

S
|
S

V

I

S

S

H

H

R
|
R

S

S

I

F

M

M

L

F

G

G

S

G

I

L

A

A

E

S

G

G

T

E

T

T

R

R

V

I

T

T

G

G

F

L

L

L

E

E

G

G