SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Pf1N1B4_348 FitnessBrowser__pseudo1_N1B4:Pf1N1B4_348 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
55% identity, 59% coverage: 299:729/735 of query aligns to 1:431/440 of 3slhD

query
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3slhD

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active site: K23 (= K321), S24 (= S322), D50 (= D348), N95 (= N392), R125 (= R422), D317 (= D615), E345 (= E643), H388 (= H686), R389 (= R687), T415 (= T713)
binding glyphosate: K23 (= K321), G97 (= G394), T98 (= T395), R125 (= R422), Q171 (= Q469), D317 (= D615), E345 (= E643), R348 (= R646), H388 (= H686), R389 (= R687)
binding shikimate-3-phosphate: S24 (= S322), R28 (= R326), S169 (= S467), Q171 (= Q469), R196 (= R494), D317 (= D615), K344 (= K642)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S24 (= S322), R28 (= R326), T98 (= T395), Q171 (= Q469), R196 (= R494), D317 (= D615), K344 (= K642)

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)
55% identity, 58% coverage: 307:729/735 of query aligns to 7:429/438 of Q83E11

query
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Q83E11

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K21 (= K321) binding phosphoenolpyruvate
S22 (= S322) binding 3-phosphoshikimate
R26 (= R326) binding 3-phosphoshikimate
NSGT 93:96 (= NSGT 392:395) Phosphoenolpyruvate
G95 (= G394) binding phosphoenolpyruvate
T96 (= T395) binding phosphoenolpyruvate
R123 (= R422) binding phosphoenolpyruvate
S167 (= S467) binding 3-phosphoshikimate
A168 (= A468) binding 3-phosphoshikimate
Q169 (= Q469) binding 3-phosphoshikimate; binding phosphoenolpyruvate
D315 (= D615) binding 3-phosphoshikimate
K342 (= K642) binding 3-phosphoshikimate
R346 (= R646) binding phosphoenolpyruvate
R387 (= R687) binding phosphoenolpyruvate

4egrA 2.50 angstrom resolution structure of 3-phosphoshikimate 1- carboxyvinyltransferase (aroa) from coxiella burnetii in complex with phosphoenolpyruvate
55% identity, 59% coverage: 299:729/735 of query aligns to 1:427/434 of 4egrA

query
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4egrA

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E

G

G

E

E

V

V

H

N

G

S

H

Y

G

D

D

D

H
|
H

R
|
R

I

I

A

A

M

M

A

A

F

F

S

A

V

V

A

A

S

G

L

T

R

L

A

A

T

K

A

G

P

P

I

V

R

R

I

I

H

R

D

N

C

C

A

D

N

N

V

V

A

K

T
|
T

S

S

F

F

P

P

N

N

F

F

L

V

A

E

L

L

C

A

A

N

Q

E

V

V

G

G

I

M

R

N

V

V

active site: K23 (= K321), S24 (= S322), D50 (= D348), N95 (= N392), R125 (= R422), D313 (= D615), E341 (= E643), H384 (= H686), R385 (= R687), T411 (= T713)
binding phosphoenolpyruvate: K23 (= K321), G97 (= G394), T98 (= T395), R125 (= R422), D313 (= D615), E341 (= E643), R344 (= R646), R385 (= R687)

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)
49% identity, 56% coverage: 311:719/735 of query aligns to 10:418/427 of Q9S400

query
sites
Q9S400

L

L

T

H

G

G

R

S

I

I

R

R

V

V

P

P

G

G

D

D

K

K

S
|
S

I

I

S

S

H

H

R
|
R

S

S

I

I

M

I

L

F

G

G

S

S

L

L

A

A

E

E

G

G

V

E

T

T

E

K

V

V

E

Y

G

D

F

I

L

L

E

R

G

G

E

E

D

D

A

V

L

L

A

S

T

T

L

M

Q

Q

A

V

F

F

R

R

D

D

M

L

G

G

V

V

V

E

I

I

E

E

G

-

P

D

H

K

H

D

G

G

R

V

V

I

T

T

I

I

H

Q

G

G

V

V

G

G

L

M

H

A

G

G

L

L

K

K

P

A

A

P

P

Q

G

N

P

A

I

L

Y

N

L

M

G

G

N

N

S

S

G

G

T

T

S

S

M

I

R

R

L

L

L

I

S

S

G

G

L

V

L

L

A

A

A

G

Q

A

N

D

F

F

D

E

S

V

T

E

L

M

T

F

G

G

D

D

A

D

S

S

L

L

S

S

K

K

R

R

P

P

M

M

N

D

R

R

V

V

A

T

N

L

P

P

L

L

R

K

E

K

M

M

G

G

A

V

V

S

I

I

E

S

T

G

A

Q

A

T

E

E

-

R

G

D

R

L

P

P

M

L

T

R

I

L

R

K

G

G

G

T

N

K

K

N

L

L

K

R

G

P

L

I

T

H

Y

Y

T

E

M

L

P

P

M

I

A

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

C

A

L

L

L

M

L

F

A

A

G

A

L

L

Y

Q

A

A

E

K

G

G

K

E

T

S

T

V

V

I

T

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

R

K

G

Q

F

F

G

G

Y

G

P

H

V

L

T

S

V

V

N

D

G

G

A

K

T

K

A

I

S

T

V

V

E

Q

S

G

G

P

H

Q

K

K

L

L

T

T

A

G

T

Q

H

K

I

V

E

V

V

V

P

P

G

G

D

D

I

I

S

S

S

A

A

A

F

F

F

W

L

L

V

V

A

A

A

G

S

L

I

I

A

A

E

P

G

N

S

S

E

R

L

L

V

V

L

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

R

R

L

A

M

M

G

G

A

G

D

K

I

L

T

E

L

I

E

T

N

E

Q

I

R

D

E

P

V

V

G

A

G

K

E

S

P

-

V

-

A

A

D

T

L

L

R

I

V

V

R

E

A

S

K

D

L

L

K

K

G

G

I

T

E

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

C

Q

A

A

E

Q

G

G

R

V

T

T

V

V

L

I

R

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

G

A

L

L

L

N

A

S

L

M

G

G

V

A

K

D

C

I

E

T

P

P

T

T

P

A

D

D

G

G

L

M

I

I

D

K

G

G

G

K

Q

S

-

A

I

L

G

H

G

G

G

A

E

R

V

V

H

N

G

T

H

F

G

G

D

D

H

H

R

R

I

I

A

G

M

M

A

M

F

T

S

A

V

I

A

A

S

A

L

L

R

L

-

V

A

A

T

D

A

G

P

E

I

V

R

E

I

L

H

D

D

R

C

A

A

E

N

A

V

I

A

N

T

T

S

S

F

Y

P

P

N

S

F

F

L

F

S21 (= S322) binding 3-phosphoshikimate
R25 (= R326) binding 3-phosphoshikimate
S166 (= S467) binding 3-phosphoshikimate
A167 (= A468) binding 3-phosphoshikimate
Q168 (= Q469) binding 3-phosphoshikimate
D312 (= D615) binding 3-phosphoshikimate
K339 (= K642) binding 3-phosphoshikimate

1rf6A Structural studies of streptococcus pneumoniae epsp synthase in s3p- glp bound state (see paper)
49% identity, 56% coverage: 311:719/735 of query aligns to 10:418/427 of 1rf6A

query
sites
1rf6A

L

L

T

H

G

G

R

I

I

I

R

R

V

V

P

P

G

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

S

S

I

I

M

I

L

F

G

G

S

S

L

L

A

A

E

E

G

G

V

E

T

T

E

K

V

V

E

Y

G

D

F

I

L

L

E

R

G

G

E

E

D
|
D

A

V

L

L

A

S

T

T

L

M

Q

Q

A

V

F

F

R

R

D

D

M

L

G

G

V

V

V

E

I

I

E

E

G

-

P

D

H

K

H

D

G

G

R

V

V

I

T

T

I

V

H

Q

G

G

V

V

G

G

L

M

H

A

G

G

L

L

K

K

P

A

A

P

P

Q

G

N

P

A

I

L

Y

N

L

M

G

G

N
|
N

S

S

G
|
G

T
|
T

S

S

M

I

R

R

L

L

L

I

S

S

G

G

L

V

L

L

A

A

A

G

Q

A

N

D

F

F

D

E

S

V

T

E

L

M

T

F

G

G

D

D

A
x
D

S

S

L

L

S

S

K

K

R
|
R

P

P

M

M

N

D

R

R

V

V

A

T

N

L

P

P

L

L

R

K

E

K

M

M

G

G

A

V

V

S

I

I

E

S

T

G

A

Q

A

T

E

E

-

R

G

D

R

L

P

P

M

L

T

R

I

L

R

K

G

G

G

T

N

K

K

N

L

L

K

R

G

P

L

I

T

H

Y

Y

T

E

M

L

P

P

M

I

A

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

C

A

L

L

L

M

L

F

A

A

G

A

L

L

Y

Q

A

A

E

K

G

G

K

E

T

S

T

V

V

I

T

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

R

Q

G

Q

F

F

G

G

Y

G

P

H

V

L

T

S

V

V

N

D

G

G

A

K

T

K

A

I

S

T

V

V

E

Q

S

G

G

P

H

Q

K

K

L

L

T

T

A

G

T

Q

H

K

I

V

E

V

V

V

P

P

G

G

D

D

I

I

S

S

S

A

A

A

F

F

F

W

L

L

V

V

A

A

A

G

S

L

I

I

A

A

E

P

G

N

S

S

E

R

L

L

V

V

L

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

R

R

L

A

M

M

G

G

A

G

D

K

I

L

T

E

L

I

E

T

N

E

Q

I

R

D

E

P

V

V

G

A

G

K

E

S

P

-

V

-

A

A

D

T

L

L

R

I

V

V

R

E

A

S

K

D

L

L

K

K

G

G

I

T

E

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

C

Q

A

A

E

Q

G

G

R

V

T

T

V

V

L

I

R

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

G

A

L

L

L

N

A

S

L

M

G

G

V

A

K

D

C

I

E

T

P

P

T

T

P

A

D

D

G

G

L

M

I

I

D

K

G

G

G

K

Q

S

-

A

I

L

G

H

G

G

G

A

E

R

V

V

H

N

G

T

H

F

G

G

D

D

H
|
H

R
|
R

I

I

A

G

M

M

A

M

F

T

S

A

V

I

A

A

S

A

L

L

R

L

-

V

A

A

T

D

A

G

P

E

I

V

R

E

I

L

H

D

D

R

C

A

A

E

N

A

V

I

A

N

T
|
T

S

S

F

Y

P

P

N

S

F

F

L

F

active site: K20 (= K321), S21 (= S322), D47 (= D348), N90 (= N392), D115 (≠ A417), R120 (= R422), D312 (= D615), E340 (= E643), H384 (= H686), R385 (= R687), T412 (= T713)
binding glyphosate: K20 (= K321), G92 (= G394), T93 (= T395), R120 (= R422), Q168 (= Q469), D312 (= D615), E340 (= E643), R343 (= R646), H384 (= H686), R385 (= R687)
binding shikimate-3-phosphate: S21 (= S322), R25 (= R326), S166 (= S467), Q168 (= Q469), R193 (= R494), I311 (= I614), D312 (= D615), K339 (= K642)

1rf4A Structural studies of streptococcus pneumoniae epsp synthase, tetrahedral intermediate bound state (see paper)
49% identity, 56% coverage: 311:719/735 of query aligns to 10:418/427 of 1rf4A

query
sites
1rf4A

L

L

T

H

G

G

R

I

I

I

R

R

V

V

P

P

G

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

S

S

I

I

M

I

L

F

G

G

S

S

L

L

A

A

E

E

G

G

V

E

T

T

E

K

V

V

E

Y

G

D

F

I

L

L

E

R

G

G

E

E

D
|
D

A

V

L

L

A

S

T

T

L

M

Q

Q

A

V

F

F

R

R

D

D

M

L

G

G

V

V

V

E

I

I

E

E

G

-

P

D

H

K

H

D

G

G

R

V

V

I

T

T

I

V

H

Q

G

G

V

V

G

G

L

M

H

A

G

G

L

L

K

K

P

A

A

P

P

Q

G

N

P

A

I

L

Y

N

L

M

G

G

N
|
N

S

S

G
|
G

T
|
T

S

S

M

I

R

R

L

L

L

I

S

S

G

G

L

V

L

L

A

A

A

G

Q

A

N

D

F

F

D

E

S

V

T

E

L

M

T

F

G

G

D

D

A
x
D

S

S

L

L

S

S

K

K

R
|
R

P

P

M

M

N

D

R

R

V

V

A

T

N

L

P

P

L

L

R

K

E

K

M

M

G

G

A

V

V

S

I

I

E

S

T

G

A

Q

A

T

E

E

-

R

G

D

R

L

P

P

M

L

T

R

I

L

R

K

G

G

G

T

N

K

K

N

L

L

K

R

G

P

L

I

T

H

Y

Y

T

E

M

L

P

P

M

I

A

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

C

A

L

L

L

M

L

F

A

A

G

A

L

L

Y

Q

A

A

E

K

G

G

K

E

T

S

T

V

V

I

T

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

R

Q

G

Q

F

F

G

G

Y

G

P

H

V

L

T

S

V

V

N

D

G

G

A

K

T

K

A

I

S

T

V

V

E

Q

S

G

G

P

H

Q

K

K

L

L

T

T

A

G

T

Q

H

K

I

V

E

V

V

V

P

P

G

G

D

D

I

I

S

S

S

A

A

A

F

F

F

W

L

L

V

V

A

A

A

G

S

L

I

I

A

A

E

P

G

N

S

S

E

R

L

L

V

V

L

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

R

R

L

A

M

M

G

G

A

G

D

K

I

L

T

E

L

I

E

T

N

E

Q

I

R

D

E

P

V

V

G

A

G

K

E

S

P

-

V

-

A

A

D

T

L

L

R

I

V

V

R

E

A

S

K

D

L

L

K

K

G

G

I

T

E

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

C

Q

A

A

E

Q

G

G

R

V

T

T

V

V

L

I

R

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

G

A

L

L

L

N

A

S

L

M

G

G

V

A

K

D

C

I

E

T

P

P

T

T

P

A

D

D

G

G

L

M

I

I

D

K

G

G

G

K

Q

S

-

A

I

L

G

H

G

G

G

A

E

R

V

V

H

N

G

T

H

F

G

G

D

D

H
|
H

R
|
R

I

I

A

G

M

M

A

M

F

T

S

A

V

I

A

A

S

A

L

L

R

L

-

V

A

A

T

D

A

G

P

E

I

V

R

E

I

L

H

D

D

R

C

A

A

E

N

A

V

I

A

N

T
|
T

S

S

F

Y

P

P

N

S

F

F

L

F

active site: K20 (= K321), S21 (= S322), D47 (= D348), N90 (= N392), D115 (≠ A417), R120 (= R422), D312 (= D615), E340 (= E643), H384 (= H686), R385 (= R687), T412 (= T713)
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 (= K321), S21 (= S322), R25 (= R326), G92 (= G394), T93 (= T395), R120 (= R422), S166 (= S467), A167 (= A468), Q168 (= Q469), R193 (= R494), D312 (= D615), K339 (= K642), E340 (= E643), R343 (= R646), H384 (= H686), R385 (= R687)

2pqcA Cp4 epsps liganded with (r)-phosphonate tetrahedral reaction intermediate analog (see paper)
50% identity, 57% coverage: 311:729/735 of query aligns to 13:442/445 of 2pqcA

query
sites
2pqcA

L

L

T

S

G

G

R

T

I

V

R

R

V

I

P

P

G

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

S

S

I

F

M

M

L

F

G

G

S

G

L

L

A

A

E

S

G

G

V

E

T

T

E

R

V

I

E

T

G

G

F

L

L

L

E

E

G

G

E

E

D
|
D

A

V

L

I

A

N

T

T

L

G

Q

K

A

A

F

M

R

Q

D

A

M

M

G

G

V

A

V

R

I

I

E

R

G

K

P

E

H

G

H

D

G

T

R

W

V

I

T

-

I

I

H

D

G

G

V

V

G

G

L

N

H

G

G

G

L

L

K

L

P

A

A

P

P

E

G

A

P

P

I

L

Y

D

L

F

G

G

N
|
N

S

A

G

A

T
|
T

S

G

M

C

R

R

L

L

L

T

S

M

G

G

L

L

L

V

A

G

A

V

Q

Y

N

D

F

F

D

D

S

S

T

T

L

F

T

I

G

G

D

D

A

A

S

S

L

L

S

T

K

K

R
|
R

P

P

M

M

N

G

R

R

V

V

A

L

N

N

P

P

L

L

R

R

E

E

M

M

G

G

A

V

V

Q

I

V

E

K

T

S

A

E

A

D

E

G

G

D

R

R

P

L

P

P

M

V

T

T

I

L

R

R

G

G

G

P

N

K

K

T

L

P

K

T

G

P

L

I

T

T

Y

Y

T

R

M

V

P

P

M

M

A

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

C

A

L

V

L

L

A

A

G

G

L

L

Y

N

A

T

E

P

G

G

K

I

T

T

V

V

T

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

R

Q

G

G

F

F

G

G

Y

A

P

N

V

L

T

T

V

V

N

E

G

T

-

D

-

A

-

D

-

G

-

V

A

R

T

T

A

I

S

R

V

L

E

E

S

G

G

R

H

G

K

K

L

L

T

T

A

G

T

Q

H

V

I

I

E

D

V

V

P

P

G

G

D

D

I

P

S

S

S

T

A

A

F

F

F

P

L

L

V

V

A

A

S

L

I

L

A

V

E

P

G

G

S

S

E

D

L

V

V

T

L

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

R

Q

L

E

M

M

G

G

A

A

D

D

I

I

T

E

L

V

E

I

N

N

Q

P

R

R

E

L

V

A

G

G

E

E

P

D

V

V

A

A

D

D

L

L

R

R

V

V

R

R

A

S

K

T

L

L

K

K

G

G

I

V

E

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

C

F

A

A

E

E

G

G

R

A

T

T

V

V

L

M

R

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

G

G

L

L

L

K

A

L

L

N

G

G

V

V

K

D

C

C

E

D

P

E

T

G

P

E

D

T

G

S

L

L

I

V

D

R

G

G

-

R

-

P

-

D

-

G

-

K

-

G

-

L

G

G

Q

N

I

A

G

S

G

G

G

A

E

A

V

V

H

A

G

T

H

H

G

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

A

S

F

F

S

L

V

V

A

M

S

G

L

L

R

V

A

S

T

E

A

N

P

P

I

V

R

T

I

V

H

D

D

D

C

A

A

T

N

M

V

I

A

A

T
|
T

S

S

F

F

P

P

N

E

F

F

L

M

A

D

L

L

C

M

A

A

Q

G

V

L

G

G

I

A

R

K

V

I

active site: K23 (= K321), S24 (= S322), D50 (= D348), N93 (= N392), R123 (= R422), D321 (= D615), E349 (= E643), H399 (= H686), R400 (= R687), T426 (= T713)
binding [3r-[3a,4a,5b(r*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid: K23 (= K321), S24 (= S322), R28 (= R326), T96 (= T395), R123 (= R422), S168 (= S467), Q170 (= Q469), D321 (= D615), K348 (= K642), E349 (= E643), R352 (= R646), R400 (= R687)

2pqbA Cp4 epsps liganded with (r)-difluoromethyl tetrahedral intermediate analog (see paper)
50% identity, 57% coverage: 311:729/735 of query aligns to 13:442/445 of 2pqbA

query
sites
2pqbA

L

L

T

S

G

G

R

T

I

V

R

R

V

I

P

P

G

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

S

S

I

F

M

M

L

F

G

G

S

G

L

L

A

A

E

S

G

G

V

E

T

T

E

R

V

I

E

T

G

G

F

L

L

L

E

E

G

G

E

E

D
|
D

A

V

L

I

A

N

T

T

L

G

Q

K

A

A

F

M

R

Q

D

A

M

M

G

G

V

A

V

R

I

I

E

R

G

K

P

E

H

G

H

D

G

T

R

W

V

I

T

-

I

I

H

D

G

G

V

V

G

G

L

N

H

G

G

G

L

L

K

L

P

A

A

P

P

E

G

A

P

P

I

L

Y

D

L

F

G

G

N
|
N

S

A

G
x
A

T
|
T

S

G

M

C

R

R

L

L

L

T

S

M

G

G

L

L

L

V

A

G

A

V

Q

Y

N

D

F

F

D

D

S

S

T

T

L

F

T

I

G

G

D

D

A

A

S

S

L

L

S

T

K

K

R
|
R

P

P

M

M

N

G

R

R

V

V

A

L

N

N

P

P

L

L

R

R

E

E

M

M

G

G

A

V

V

Q

I

V

E

K

T

S

A

E

A

D

E

G

G

D

R

R

P

L

P

P

M

V

T

T

I

L

R

R

G

G

G

P

N

K

K

T

L

P

K

T

G

P

L

I

T

T

Y

Y

T

R

M

V

P

P

M

M

A

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

C

A

L

V

L

L

A

A

G

G

L

L

Y

N

A

T

E

P

G

G

K

I

T

T

V

V

T

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

R

Q

G

G

F

F

G

G

Y

A

P

N

V

L

T

T

V

V

N

E

G

T

-

D

-

A

-

D

-

G

-

V

A

R

T

T

A

I

S

R

V

L

E

E

S

G

G

R

H

G

K

K

L

L

T

T

A

G

T

Q

H

V

I

I

E

D

V

V

P

P

G

G

D

D

I

P

S

S

S

T

A

A

F

F

F

P

L

L

V

V

A

A

S

L

I

L

A

V

E

P

G

G

S

S

E

D

L

V

V

T

L

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

R

Q

L

E

M

M

G

G

A

A

D

D

I

I

T

E

L

V

E

I

N

N

Q

P

R

R

E

L

V

A

G

G

E

E

P

D

V

V

A

A

D

D

L

L

R

R

V

V

R

R

A

S

K

T

L

L

K

K

G

G

I

V

E

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

C

F

A

A

E

E

G

G

R

A

T

T

V

V

L

M

R

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

G

G

L

L

L

K

A

L

L

N

G

G

V

V

K

D

C

C

E

D

P

E

T

G

P

E

D

T

G

S

L

L

I

V

D

R

G

G

-

R

-

P

-

D

-

G

-

K

-

G

-

L

G

G

Q

N

I

A

G

S

G

G

G

A

E

A

V

V

H

A

G

T

H

H

G

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

A

S

F

F

S

L

V

V

A

M

S

G

L

L

R

V

A

S

T

E

A

N

P

P

I

V

R

T

I

V

H

D

D

D

C

A

A

T

N

M

V

I

A

A

T
|
T

S

S

F

F

P

P

N

E

F

F

L

M

A

D

L

L

C

M

A

A

Q

G

V

L

G

G

I

A

R

K

V

I

active site: K23 (= K321), S24 (= S322), D50 (= D348), N93 (= N392), R123 (= R422), D321 (= D615), E349 (= E643), H399 (= H686), R400 (= R687), T426 (= T713)
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 (= K321), S24 (= S322), R28 (= R326), A95 (≠ G394), T96 (= T395), R123 (= R422), S168 (= S467), Q170 (= Q469), D321 (= D615), K348 (= K642), E349 (= E643), R352 (= R646), R400 (= R687)

2ggaA Cp4 epsp synthase liganded with s3p and glyphosate (see paper)
50% identity, 57% coverage: 311:729/735 of query aligns to 13:442/445 of 2ggaA

query
sites
2ggaA

L

L

T

S

G

G

R

T

I

V

R

R

V

I

P

P

G

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

S

S

I

F

M

M

L

F

G

G

S

G

L

L

A

A

E

S

G

G

V

E

T

T

E

R

V

I

E

T

G

G

F

L

L

L

E

E

G

G

E

E

D
|
D

A

V

L

I

A

N

T

T

L

G

Q

K

A

A

F

M

R

Q

D

A

M

M

G

G

V

A

V

R

I

I

E

R

G

K

P

E

H

G

H

D

G

T

R

W

V

I

T

-

I

I

H

D

G

G

V

V

G

G

L

N

H

G

G

G

L

L

K

L

P

A

A

P

P

E

G

A

P

P

I

L

Y

D

L

F

G

G

N
|
N

S
x
A

G
x
A

T
|
T

S

G

M

C

R

R

L

L

L

T

S

M

G

G

L

L

L

V

A

G

A

V

Q

Y

N

D

F

F

D

D

S

S

T

T

L

F

T

I

G

G

D

D

A

A

S

S

L

L

S

T

K

K

R
|
R

P

P

M

M

N

G

R

R

V

V

A

L

N

N

P

P

L

L

R

R

E

E

M

M

G

G

A

V

V

Q

I

V

E

K

T

S

A

E

A

D

E

G

G

D

R

R

P

L

P

P

M

V

T

T

I

L

R

R

G

G

G

P

N

K

K

T

L

P

K

T

G

P

L

I

T

T

Y

Y

T

R

M

V

P

P

M

M

A

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

C

A

L

V

L

L

A

A

G

G

L

L

Y

N

A

T

E

P

G

G

K

I

T

T

V

V

T

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

R

Q

G

G

F

F

G

G

Y

A

P

N

V

L

T

T

V

V

N

E

G

T

-

D

-

A

-

D

-

G

-

V

A

R

T

T

A

I

S

R

V

L

E

E

S

G

G

R

H

G

K

K

L

L

T

T

A

G

T

Q

H

V

I

I

E

D

V

V

P

P

G

G

D

D

I

P

S

S

S

T

A

A

F

F

F

P

L

L

V

V

A

A

S

L

I

L

A

V

E

P

G

G

S

S

E

D

L

V

V

T

L

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

R

Q

L

E

M

M

G

G

A

A

D

D

I

I

T

E

L

V

E

I

N

N

Q

P

R

R

E

L

V

A

G

G

E

E

P

D

V

V

A

A

D

D

L

L

R

R

V

V

R

R

A

S

K

T

L

L

K

K

G

G

I

V

E

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

C

F

A

A

E

E

G

G

R

A

T

T

V

V

L

M

R

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

G

G

L

L

L

K

A

L

L

N

G

G

V

V

K

D

C

C

E

D

P

E

T

G

P

E

D

T

G

S

L

L

I

V

D

R

G

G

-

R

-

P

-

D

-

G

-

K

-

G

-

L

G

G

Q

N

I

A

G

S

G

G

G

A

E

A

V

V

H

A

G

T

H

H

G

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

A

S

F

F

S

L

V

V

A

M

S

G

L

L

R

V

A

S

T

E

A

N

P

P

I

V

R

T

I

V

H

D

D

D

C

A

A

T

N

M

V

I

A

A

T
|
T

S

S

F

F

P

P

N

E

F

F

L

M

A

D

L

L

C

M

A

A

Q

G

V

L

G

G

I

A

R

K

V

I

active site: K23 (= K321), S24 (= S322), D50 (= D348), N93 (= N392), R123 (= R422), D321 (= D615), E349 (= E643), H399 (= H686), R400 (= R687), T426 (= T713)
binding glyphosate: K23 (= K321), A94 (≠ S393), A95 (≠ G394), T96 (= T395), R123 (= R422), D321 (= D615), E349 (= E643), R352 (= R646), R400 (= R687)
binding shikimate-3-phosphate: S24 (= S322), R28 (= R326), S168 (= S467), A169 (= A468), Q170 (= Q469), R195 (= R494), D321 (= D615), K348 (= K642)

2gg6A Cp4 epsp synthase liganded with s3p (see paper)
50% identity, 57% coverage: 311:729/735 of query aligns to 13:442/445 of 2gg6A

query
sites
2gg6A

L

L

T

S

G

G

R

T

I

V

R

R

V

I

P

P

G

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

S

S

I

F

M

M

L

F

G

G

S

G

L

L

A

A

E

S

G

G

V

E

T

T

E

R

V

I

E

T

G

G

F

L

L

L

E

E

G

G

E

E

D
|
D

A

V

L

I

A

N

T

T

L

G

Q

K

A

A

F

M

R

Q

D

A

M

M

G

G

V

A

V

R

I

I

E

R

G

K

P

E

H

G

H

D

G

T

R

W

V

I

T

-

I

I

H

D

G

G

V

V

G

G

L

N

H

G

G

G

L

L

K

L

P

A

A

P

P

E

G

A

P

P

I

L

Y

D

L

F

G

G

N
|
N

S

A

G

A

T
|
T

S

G

M

C

R

R

L

L

L

T

S

M

G

G

L

L

L

V

A

G

A

V

Q

Y

N

D

F

F

D

D

S

S

T

T

L

F

T

I

G

G

D

D

A

A

S

S

L

L

S

T

K

K

R
|
R

P

P

M

M

N

G

R

R

V

V

A

L

N

N

P

P

L

L

R

R

E

E

M

M

G

G

A

V

V

Q

I

V

E

K

T

S

A

E

A

D

E

G

G

D

R

R

P

L

P

P

M

V

T

T

I

L

R

R

G

G

G

P

N

K

K

T

L

P

K

T

G

P

L

I

T

T

Y

Y

T

R

M

V

P

P

M

M

A

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

C

A

L

V

L

L

A

A

G

G

L

L

Y

N

A

T

E

P

G

G

K

I

T

T

V

V

T

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

R

Q

G

G

F

F

G

G

Y

A

P

N

V

L

T

T

V

V

N

E

G

T

-

D

-

A

-

D

-

G

-

V

A

R

T

T

A

I

S

R

V

L

E

E

S

G

G

R

H

G

K

K

L

L

T

T

A

G

T

Q

H

V

I

I

E

D

V

V

P

P

G

G

D

D

I

P

S

S

S

T

A

A

F

F

F

P

L

L

V

V

A

A

S

L

I

L

A

V

E

P

G

G

S

S

E

D

L

V

V

T

L

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

R

Q

L

E

M

M

G

G

A

A

D

D

I

I

T

E

L

V

E

I

N

N

Q

P

R

R

E

L

V

A

G

G

E

E

P

D

V

V

A

A

D

D

L

L

R

R

V

V

R

R

A

S

K

T

L

L

K

K

G

G

I

V

E

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

C

F

A

A

E

E

G

G

R

A

T

T

V

V

L

M

R

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

G

G

L

L

L

K

A

L

L

N

G

G

V

V

K

D

C

C

E

D

P

E

T

G

P

E

D

T

G

S

L

L

I

V

D

R

G

G

-

R

-

P

-

D

-

G

-

K

-

G

-

L

G

G

Q

N

I

A

G

S

G

G

G

A

E

A

V

V

H

A

G

T

H

H

G

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

A

S

F

F

S

L

V

V

A

M

S

G

L

L

R

V

A

S

T

E

A

N

P

P

I

V

R

T

I

V

H

D

D

D

C

A

A

T

N

M

V

I

A

A

T
|
T

S

S

F

F

P

P

N

E

F

F

L

M

A

D

L

L

C

M

A

A

Q

G

V

L

G

G

I

A

R

K

V

I

active site: K23 (= K321), S24 (= S322), D50 (= D348), N93 (= N392), R123 (= R422), D321 (= D615), E349 (= E643), H399 (= H686), R400 (= R687), T426 (= T713)
binding shikimate-3-phosphate: S24 (= S322), R28 (= R326), T96 (= T395), S168 (= S467), Q170 (= Q469), D321 (= D615), K348 (= K642)

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)
50% identity, 57% coverage: 311:729/735 of query aligns to 18:447/455 of Q9R4E4

query
sites
Q9R4E4

L

L

T

S

G

G

R

T

I

V

R

R

V

I

P

P

G

G

D

D

K

K

S
|
S

I

I

S

S

H

H

R
|
R

S

S

I

F

M

M

L

F

G

G

S

G

L

L

A

A

E

S

G

G

V

E

T

T

E

R

V

I

E

T

G

G

F

L

L

L

E

E

G

G

E

E

D

D

A

V

L

I

A

N

T

T

L

G

Q

K

A

A

F

M

R

Q

D

A

M

M

G

G

V

A

V

R

I

I

E

R

G

K

P

E

H

G

H

D

G

T

R

W

V

I

T

-

I

I

H

D

G

G

V

V

G

G

L

N

H

G

G

G

L

L

K

L

P

A

A

P