SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_020562928.1 NCBI__GCF_000372865.1:WP_020562928.1 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
55% identity, 98% coverage: 7:435/440 of query aligns to 5:431/440 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 (= D320), E345 (= E348), H388 (= H392), R389 (= R393), T415 (= T419)
binding glyphosate: K23 (= K25), G97 (= G98), T98 (= T99), R125 (= R126), Q171 (= Q174), D317 (= D320), E345 (= E348), R348 (= R351), H388 (= H392), R389 (= R393)
binding shikimate-3-phosphate: S24 (= S26), R28 (= R30), S169 (= S172), Q171 (= Q174), R196 (= R199), D317 (= D320), K344 (= K347)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S24 (= S26), R28 (= R30), T98 (= T99), Q171 (= Q174), R196 (= R199), D317 (= D320), K344 (= K347)

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, 98% coverage: 7:435/440 of query aligns to 3:429/438 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 (= D320) binding 3-phosphoshikimate
K342 (= K347) binding 3-phosphoshikimate
R346 (= R351) binding phosphoenolpyruvate
R387 (= R393) binding phosphoenolpyruvate

4egrA 2.50 angstrom resolution structure of 3-phosphoshikimate 1- carboxyvinyltransferase (aroa) from coxiella burnetii in complex with phosphoenolpyruvate
55% identity, 98% coverage: 7:435/440 of query aligns to 5:427/434 of 4egrA

query
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4egrA

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Q

E

P

S

T

L

A

P

D

D

G

G

M

V

I

I

Q

Q

G

-

G

G

K

T

I

L

G

E

G

G

V

E

V

V

D

N

S

S

H

Y

G

D

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

A

F

F

S

A

I

V

A

A

G

G

L

T

R

L

A

A

G

K

A

G

P

P

I

V

T

R

I

I

L

R

D

N

C

C

A

D

N

N

V

V

N

K

T
|
T

S

S

F

F

R

P

E

N

F

F

K

V

Q

E

L

L

V

A

T

N

S

E

L

V

G

G

L

M

D

N

L

V

active site: K23 (= K25), S24 (= S26), D50 (= D52), N95 (= N96), R125 (= R126), D313 (= D320), E341 (= E348), H384 (= H392), R385 (= R393), T411 (= T419)
binding phosphoenolpyruvate: K23 (= K25), G97 (= G98), T98 (= T99), R125 (= R126), D313 (= D320), E341 (= E348), R344 (= R351), R385 (= R393)

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)
51% identity, 95% coverage: 14:431/440 of query aligns to 9:424/427 of Q9S400

query
sites
Q9S400

N

H

L

L

Q

H

G

G

E

S

T

I

R

R

V

V

P

P

G

G

D

D

K

K

S
|
S

M

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

H

K

V

V

K

Y

G

D

F

I

L

L

E

R

A

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

R

E

I

I

E

E

G

D

P

K

V

-

N

D

G

G

E

V

L

I

T

T

I

I

H

Q

G

G

V

V

G

G

K

M

H

A

G

G

L

L

K

K

A

A

P

P

K

Q

N

N

E

A

L

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

G

G

Q

A

P

D

F

F

N

E

T

V

V

E

L

M

T

F

G

G

D

D

K

D

S

S

L

L

S

S

G

K

R

R

P

P

M

M

K

D

R

R

V

V

T

T

E

L

P

P

L

L

A

K

M

K

M

M

G

G

A

V

E

S

I

I

K

S

-

G

T

Q

T

T

E

E

R

R

G

D

T

L

A

P

P

P

L

L

H

R

I

L

T

K

G

G

K

T

A

K

G

-

Q

N

L

L

K

R

G

P

I

I

D

H

Y

Y

V

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

M

M

L

F

A

A

G

A

M

L

Y

Q

A

A

Q

K

G

G

E

E

T

S

S

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

S

K

G

Q

F

F

G

G

Y

G

P

H

V

L

R

S

K

V

Q

D

G

G

N

K

K

K

I

I

T

T

I

V

N

Q

A

G

E

P

G

Q

K

K

L

L

T

T

A

G

S

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

L

L

V

V

G

A

A

G

S

L

I

I

A

A

P

P

G

N

S

S

D

R

L

L

T

V

L

L

K

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

H

K

I

L

E

E

I

I

L

T

N

E

E

I

R

-

L

-

V

-

G

-

E

D

P

P

V

V

A

A

D

K

-

S

-

A

-

T

L

L

H

I

V

V

V

E

Y

S

S

S

P

D

L

L

K

K

G

G

I

T

D

E

I

I

P

G

E

G

E

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

Q

V

T

T

R

V

L

I

S

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

K

N

I

S

L

M

G

G

V

A

D

D

A

I

Q

T

P

P

T

T

A

A

D

D

G

G

M

M

I

I

Q

K

G

G

G

K

G

S

K

A

I

L

G

H

G

G

G

A

V

R

V

V

D

N

S

T

H

F

G

G

D

D

H

H

R

R

I

I

A

G

M

M

S

M

F

T

S

A

I

I

A

A

G

A

L

L

R

L

A

V

G

A

A

D

P

G

I

E

T

V

I

E

L

L

D

D

C

R

A

A

N

E

-

A

V

I

N

N

T

T

S

S

F

Y

R

P

E

S

F

F

K

F

Q

D

L

D

V

L

T

E

S

S

L

L

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 (= D320) binding 3-phosphoshikimate
K339 (= K347) binding 3-phosphoshikimate

1rf6A Structural studies of streptococcus pneumoniae epsp synthase in s3p- glp bound state (see paper)
51% identity, 95% coverage: 14:431/440 of query aligns to 9:424/427 of 1rf6A

query
sites
1rf6A

N

H

L

L

Q

H

G

G

E

I

T

I

R

R

V

V

P

P

G

G

D

D

K
|
K

S
|
S

M

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

H

K

V

V

K

Y

G

D

F

I

L

L

E

R

A

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

R

E

I

I

E

E

G

D

P

K

V

-

N

D

G

G

E

V

L

I

T

T

I

V

H

Q

G

G

V

V

G

G

K

M

H

A

G

G

L

L

K

K

A

A

P

P

K

Q

N

N

E

A

L

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

G

G

Q

A

P

D

F

F

N

E

T

V

V

E

L

M

T

F

G

G

D

D

K
x
D

S

S

L

L

S

S

G

K

R
|
R

P

P

M

M

K

D

R

R

V

V

T

T

E

L

P

P

L

L

A

K

M

K

M

M

G

G

A

V

E

S

I

I

K

S

-

G

T

Q

T

T

E

E

R

R

G

D

T

L

A

P

P

P

L

L

H

R

I

L

T

K

G

G

K

T

A

K

G

-

Q

N

L

L

K

R

G

P

I

I

D

H

Y

Y

V

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

M

M

L

F

A

A

G

A

M

L

Y

Q

A

A

Q

K

G

G

E

E

T

S

S

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

S

Q

G

Q

F

F

G

G

Y

G

P

H

V

L

R

S

K

V

Q

D

G

G

N

K

K

K

I

I

T

T

I

V

N

Q

A

G

E

P

G

Q

K

K

L

L

T

T

A

G

S

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

L

L

V

V

G

A

A

G

S

L

I

I

A

A

P

P

G

N

S

S

D

R

L

L

T

V

L

L

K

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

H

K

I

L

E

E

I

I

L

T

N

E

E

I

R

-

L

-

V

-

G

-

E

D

P

P

V

V

A

A

D

K

-

S

-

A

-

T

L

L

H

I

V

V

V

E

Y

S

S

S

P

D

L

L

K

K

G

G

I

T

D

E

I

I

P

C

E

G

E

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

Q

V

T

T

R

V

L

I

S

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

K

N

I

S

L

M

G

G

V

A

D

D

A

I

Q

T

P

P

T

T

A

A

D

D

G

G

M

M

I

I

Q

K

G

G

G

K

G

S

K

A

I

L

G

H

G

G

G

A

V

R

V

V

D

N

S

T

H

F

G

G

D

D

H
|
H

R
|
R

I

I

A

G

M

M

S

M

F

T

S

A

I

I

A

A

G

A

L

L

R

L

A

V

G

A

A

D

P

G

I

E

T

V

I

E

L

L

D

D

C

R

A

A

N

E

-

A

V

I

N

N

T
|
T

S

S

F

Y

R

P

E

S

F

F

K

F

Q

D

L

D

V

L

T

E

S

S

L

L

active site: K20 (= K25), S21 (= S26), D47 (= D52), N90 (= N96), D115 (≠ K121), R120 (= R126), D312 (= D320), E340 (= E348), H384 (= H392), R385 (= R393), T412 (= T419)
binding glyphosate: K20 (= K25), G92 (= G98), T93 (= T99), R120 (= R126), Q168 (= Q174), D312 (= D320), E340 (= E348), R343 (= R351), H384 (= H392), R385 (= R393)
binding shikimate-3-phosphate: S21 (= S26), R25 (= R30), S166 (= S172), Q168 (= Q174), R193 (= R199), I311 (= I319), D312 (= D320), K339 (= K347)

1rf4A Structural studies of streptococcus pneumoniae epsp synthase, tetrahedral intermediate bound state (see paper)
51% identity, 95% coverage: 14:431/440 of query aligns to 9:424/427 of 1rf4A

query
sites
1rf4A

N

H

L

L

Q

H

G

G

E

I

T

I

R

R

V

V

P

P

G

G

D

D

K
|
K

S
|
S

M

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

H

K

V

V

K

Y

G

D

F

I

L

L

E

R

A

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

R

E

I

I

E

E

G

D

P

K

V

-

N

D

G

G

E

V

L

I

T

T

I

V

H

Q

G

G

V

V

G

G

K

M

H

A

G

G

L

L

K

K

A

A

P

P

K

Q

N

N

E

A

L

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

G

G

Q

A

P

D

F

F

N

E

T

V

V

E

L

M

T

F

G

G

D

D

K
x
D

S

S

L

L

S

S

G

K

R
|
R

P

P

M

M

K

D

R

R

V

V

T

T

E

L

P

P

L

L

A

K

M

K

M

M

G

G

A

V

E

S

I

I

K

S

-

G

T

Q

T

T

E

E

R

R

G

D

T

L

A

P

P

P

L

L

H

R

I

L

T

K

G

G

K

T

A

K

G

-

Q

N

L

L

K

R

G

P

I

I

D

H

Y

Y

V

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

M

M

L

F

A

A

G

A

M

L

Y

Q

A

A

Q

K

G

G

E

E

T

S

S

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

S

Q

G

Q

F

F

G

G

Y

G

P

H

V

L

R

S

K

V

Q

D

G

G

N

K

K

K

I

I

T

T

I

V

N

Q

A

G

E

P

G

Q

K

K

L

L

T

T

A

G

S

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

L

L

V

V

G

A

A

G

S

L

I

I

A

A

P

P

G

N

S

S

D

R

L

L

T

V

L

L

K

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

H

K

I

L

E

E

I

I

L

T

N

E

E

I

R

-

L

-

V

-

G

-

E

D

P

P

V

V

A

A

D

K

-

S

-

A

-

T

L

L

H

I

V

V

V

E

Y

S

S

S

P

D

L

L

K

K

G

G

I

T

D

E

I

I

P

C

E

G

E

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

Q

V

T

T

R

V

L

I

S

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

K

N

I

S

L

M

G

G

V

A

D

D

A

I

Q

T

P

P

T

T

A

A

D

D

G

G

M

M

I

I

Q

K

G

G

G

K

G

S

K

A

I

L

G

H

G

G

G

A

V

R

V

V

D

N

S

T

H

F

G

G

D

D

H
|
H

R
|
R

I

I

A

G

M

M

S

M

F

T

S

A

I

I

A

A

G

A

L

L

R

L

A

V

G

A

A

D

P

G

I

E

T

V

I

E

L

L

D

D

C

R

A

A

N

E

-

A

V

I

N

N

T
|
T

S

S

F

Y

R

P

E

S

F

F

K

F

Q

D

L

D

V

L

T

E

S

S

L

L

active site: K20 (= K25), S21 (= S26), D47 (= D52), N90 (= N96), D115 (≠ K121), R120 (= R126), D312 (= D320), E340 (= E348), H384 (= H392), R385 (= R393), T412 (= T419)
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 (= D320), K339 (= K347), E340 (= E348), R343 (= R351), H384 (= H392), R385 (= R393)

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, 95% coverage: 15:432/440 of query aligns to 18:444/455 of Q9R4E4

query
sites
Q9R4E4

L

L

Q

S

G

G

E

T

T

V

R

R

V

I

P

P

G

G

D

D

K

K

S
|
S

M

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

H

R

V

I

K

T

G

G

F

L

L

L

E

E

A

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

R

R

I

I

E

R

G

K

P

E

V

G

N

D

G

T

E

W

L

I

T

-

I

I

H

D

G

G

V

V

G

G

K

N

H

G

G

G

L

L

K

L

A

A

P

P

K

E

N

A

E

P

L

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

G

V

Q

Y

P

D

F

F

N

D

T

S

V

T

L

F

T

I

G

G

D

D

K

A

S

S

L

L

S

T

G

K

R

R

P

P

M

M

K

G

R

R

V

V

T

L

E

N

P

P

L

L

A

R

M

E

M

M

G

G

A

V

E

Q

I

V

K

K

T

S

T

E

E

D

R

G

G

D

T

R

A

L

P

P

L

V

H

T

I

L

T

R

G

G

K

P

A

K

G

T

Q

P

L

T

K

P

G

-

I

I

D

T

Y

Y

V

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

M

L

L

L

A

A

G

G

M

L

Y

N

A

T

Q

P

G

G

E

I

T

T

S

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

S

Q

G

G

F

F

G

G

Y

A

P

N

V

L

R

T

K

V

Q

E

G

T

N

D

-

A

-

D

-

G

-

V

-

R

K

T

I

I

T

R

I

L

N

E

A

G

E

R

G

G

K

K

L

L

T

T

A

G

S

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

L

L

V

V

G

A

A

A

S

L

I

L

A

V

P

P

G

G

S

S

D

D

L

V

T

T

L

I

K

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

H

D

I

I

E

E

I

V

L

I

N

N

E

P

R

R

L

L

V

A

G

G

E

E

P

D

V

V

A

A

D

D

L

L

H

R

V

V

V

R

Y

S

S

S

P

T

L

L

K

K

G

G

I

V

D

T

I

V

P

P

E

E

E

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

Q

A

T

T

R

V

L

M

S

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

K

K

I

L

L

N

G

G

V

V

D

D

A

C

Q

D

P

E

T

G

A

E

D

T

G

S

M

L

I

V

Q

R

G

G

G

R

-

P

-

D

-

G

-

K

-

G

-

L

G

G

K

N

I

A

G

S

G

G

G

A

V

A

V

V

D

A

S

T

H

H

G

L

D

D

H

H

R

R

I

I

A

A

M

M

S

S

F

F

S

L

I

V

A

M

G

G

L

L

R

V

A

S

G

E

A

N

P

P

I

V

T

T

I

V

L

D

D

D

C

A

A

T

N

M

V

I

N

A

T

T

S

S

F

F

R

P

E

E

F

F

K

M

Q

D

L

L

V

M

T

A

S

G

L

L

G

G

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 (= D320) binding 3-phosphoshikimate
K353 (= K347) binding 3-phosphoshikimate

2pqcA Cp4 epsps liganded with (r)-phosphonate tetrahedral reaction intermediate analog (see paper)
47% identity, 95% coverage: 15:432/440 of query aligns to 13:439/445 of 2pqcA

query
sites
2pqcA

L

L

Q

S

G

G

E

T

T

V

R

R

V

I

P

P

G

G

D

D

K
|
K

S
|
S

M

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

H

R

V

I

K

T

G

G

F

L

L

L

E

E

A

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

R

R

I

I

E

R

G

K

P

E

V

G

N

D

G

T

E

W

L

I

T

-

I

I

H

D

G

G

V

V

G

G

K

N

H

G

G

G

L

L

K

L

A

A

P

P

K

E

N

A

E

P

L

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

G

V

Q

Y

P

D

F

F

N

D

T

S

V

T

L

F

T

I

G

G

D

D

K

A

S

S

L

L

S

T

G

K

R
|
R

P

P

M

M

K

G

R

R

V

V

T

L

E

N

P

P

L

L

A

R

M

E

M

M

G

G

A

V

E

Q

I

V

K

K

T

S

T

E

E

D

R

G

G

D

T

R

A

L

P

P

L

V

H

T

I

L

T

R

G

G

K

P

A

K

G

T

Q

P

L

T

K

P

G

-

I

I

D

T

Y

Y

V

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

M

L

L

L

A

A

G

G

M

L

Y

N

A

T

Q

P

G

G

E

I

T

T

S

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

S

Q

G

G

F

F

G

G

Y

A

P

N

V

L

R

T

K

V

Q

E

G

T

N

D

-

A

-

D

-

G

-

V

-

R

K

T

I

I

T

R

I

L

N

E

A

G

E

R

G

G

K

K

L

L

T

T

A

G

S

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

L

L

V

V

G

A

A

A

S

L

I

L

A

V

P

P

G

G

S

S

D

D

L

V

T

T

L

I

K

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

H

D

I

I

E

E

I

V

L

I

N

N

E

P

R

R

L

L

V

A

G

G

E

E

P

D

V

V

A

A

D

D

L

L

H

R

V

V

V

R

Y

S

S

S

P

T

L

L

K

K

G

G

I

V

D

T

I

V

P

P

E

E

E

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

Q

A

T

T

R

V

L

M

S

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

K

K

I

L

L

N

G

G

V

V

D

D

A

C

Q

D

P

E

T

G

A

E

D

T

G

S

M

L

I

V

Q

R

G

G

G

R

-

P

-

D

-

G

-

K

-

G

-

L

G

G

K

N

I

A

G

S

G

G

G

A

V

A

V

V

D

A

S

T

H

H

G

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

S

F

F

S

L

I

V

A

M

G

G

L

L

R

V

A

S

G

E

A

N

P

P

I

V

T

T

I

V

L

D

D

D

C

A

A

T

N

M

V

I

N

A

T
|
T

S

S

F

F

R

P

E

E

F

F

K

M

Q

D

L

L

V

M

T

A

S

G

L

L

G

G

active site: K23 (= K25), S24 (= S26), D50 (= D52), N93 (= N96), R123 (= R126), D321 (= D320), E349 (= E348), H399 (= H392), R400 (= R393), T426 (= T419)
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 (= D320), K348 (= K347), E349 (= E348), R352 (= R351), R400 (= R393)

2pqbA Cp4 epsps liganded with (r)-difluoromethyl tetrahedral intermediate analog (see paper)
47% identity, 95% coverage: 15:432/440 of query aligns to 13:439/445 of 2pqbA

query
sites
2pqbA

L

L

Q

S

G

G

E

T

T

V

R

R

V

I

P

P

G

G

D

D

K
|
K

S
|
S

M

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

H

R

V

I

K

T

G

G

F

L

L

L

E

E

A

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

R

R

I

I

E

R

G

K

P

E

V

G

N

D

G

T

E

W

L

I

T

-

I

I

H

D

G

G

V

V

G

G

K

N

H

G

G

G

L

L

K

L

A

A

P

P

K

E

N

A

E

P

L

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

G

V

Q

Y

P

D

F

F

N

D

T

S

V

T

L

F

T

I

G

G

D

D

K

A

S

S

L

L

S

T

G

K

R
|
R

P

P

M

M

K

G

R

R

V

V

T

L

E

N

P

P

L

L

A

R

M

E

M

M

G

G

A

V

E

Q

I

V

K

K

T

S

T

E

E

D

R

G

G

D

T

R

A

L

P

P

L

V

H

T

I

L

T

R

G

G

K

P

A

K

G

T

Q

P

L

T

K

P

G

-

I

I

D

T

Y

Y

V

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

M

L

L

L

A

A

G

G

M

L

Y

N

A

T

Q

P

G

G

E

I

T

T

S

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

S

Q

G

G

F

F

G

G

Y

A

P

N

V

L

R

T

K

V

Q

E

G

T

N

D

-

A

-

D

-

G

-

V

-

R

K

T

I

I

T

R

I

L

N

E

A

G

E

R

G

G

K

K

L

L

T

T

A

G

S

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

L

L

V

V

G

A

A

A

S

L

I

L

A

V

P

P

G

G

S

S

D

D

L

V

T

T

L

I

K

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

H

D

I

I

E

E

I

V

L

I

N

N

E

P

R

R

L

L

V

A

G

G

E

E

P

D

V

V

A

A

D

D

L

L

H

R

V

V

V

R

Y

S

S

S

P

T

L

L

K

K

G

G

I

V

D

T

I

V

P

P

E

E

E

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

Q

A

T

T

R

V

L

M

S

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

K

K

I

L

L

N

G

G

V

V

D

D

A

C

Q

D

P

E

T

G

A

E

D

T

G

S

M

L

I

V

Q

R

G

G

G

R

-

P

-

D

-

G

-

K

-

G

-

L

G

G

K

N

I

A

G

S

G

G

G

A

V

A

V

V

D

A

S

T

H

H

G

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

S

F

F

S

L

I

V

A

M

G

G

L

L

R

V

A

S

G

E

A

N

P

P

I

V

T

T

I

V

L

D

D

D

C

A

A

T

N

M

V

I

N

A

T
|
T

S

S

F

F

R

P

E

E

F

F

K

M

Q

D

L

L

V

M

T

A

S

G

L

L

G

G

active site: K23 (= K25), S24 (= S26), D50 (= D52), N93 (= N96), R123 (= R126), D321 (= D320), E349 (= E348), H399 (= H392), R400 (= R393), T426 (= T419)
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 (= D320), K348 (= K347), E349 (= E348), R352 (= R351), R400 (= R393)

2ggaA Cp4 epsp synthase liganded with s3p and glyphosate (see paper)
47% identity, 95% coverage: 15:432/440 of query aligns to 13:439/445 of 2ggaA

query
sites
2ggaA

L

L

Q

S

G

G

E

T

T

V

R

R

V

I

P

P

G

G

D

D

K
|
K

S
|
S

M

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

H

R

V

I

K

T

G

G

F

L

L

L

E

E

A

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

R

R

I

I

E

R

G

K

P

E

V

G

N

D

G

T

E

W

L

I

T

-

I

I

H

D

G

G

V

V

G

G

K

N

H

G

G

G

L

L

K

L

A

A

P

P

K

E

N

A

E

P

L

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

G

V

Q

Y

P

D

F

F

N

D

T

S

V

T

L

F

T

I

G

G

D

D

K

A

S

S

L

L

S

T

G

K

R
|
R

P

P

M

M

K

G

R

R

V

V

T

L

E

N

P

P

L

L

A

R

M

E

M

M

G

G

A

V

E

Q

I

V

K

K

T

S

T

E

E

D

R

G

G

D

T

R

A

L

P

P

L

V

H

T

I

L

T

R

G

G

K

P

A

K

G

T

Q

P

L

T

K

P

G

-

I

I

D

T

Y

Y

V

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

M

L

L

L

A

A

G

G

M

L

Y

N

A

T

Q

P

G

G

E

I

T

T

S

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

S

Q

G

G

F

F

G

G

Y

A

P

N

V

L

R

T

K

V

Q

E

G

T

N

D

-

A

-

D

-

G

-

V

-

R

K

T

I

I

T

R

I

L

N

E

A

G

E

R

G

G

K

K

L

L

T

T

A

G

S

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

L

L

V

V

G

A

A

A

S

L

I

L

A

V

P

P

G

G

S

S

D

D

L

V

T

T

L

I

K

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

H

D

I

I

E

E

I

V

L

I

N

N

E

P

R

R

L

L

V

A

G

G

E

E

P

D

V

V

A

A

D

D

L

L

H

R

V

V

V

R

Y

S

S

S

P

T

L

L

K

K

G

G

I

V

D

T

I

V

P

P

E

E

E

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

Q

A

T

T

R

V

L

M

S

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

K

K

I

L

L

N

G

G

V

V

D

D

A

C

Q

D

P

E

T

G

A

E

D

T

G

S

M

L

I

V

Q

R

G

G

G

R

-

P

-

D

-

G

-

K

-

G

-

L

G

G

K

N

I

A

G

S

G

G

G

A

V

A

V

V

D

A

S

T

H

H

G

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

S

F

F

S

L

I

V

A

M

G

G

L

L

R

V

A

S

G

E

A

N

P

P

I

V

T

T

I

V

L

D

D

D

C

A

A

T

N

M

V

I

N

A

T
|
T

S

S

F

F

R

P

E

E

F

F

K

M

Q

D

L

L

V

M

T

A

S

G

L

L

G

G

active site: K23 (= K25), S24 (= S26), D50 (= D52), N93 (= N96), R123 (= R126), D321 (= D320), E349 (= E348), H399 (= H392), R400 (= R393), T426 (= T419)
binding glyphosate: K23 (= K25), A94 (≠ S97), A95 (≠ G98), T96 (= T99), R123 (= R126), D321 (= D320), E349 (= E348), R352 (= R351), R400 (= R393)
binding shikimate-3-phosphate: S24 (= S26), R28 (= R30), S168 (= S172), A169 (= A173), Q170 (= Q174), R195 (= R199), D321 (= D320), K348 (= K347)

2gg6A Cp4 epsp synthase liganded with s3p (see paper)
47% identity, 95% coverage: 15:432/440 of query aligns to 13:439/445 of 2gg6A

query
sites
2gg6A

L

L

Q

S

G

G

E

T

T

V

R

R

V

I

P

P

G

G

D

D

K
|
K

S
|
S

M

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

H

R

V

I

K

T

G

G

F

L

L

L

E

E

A

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

R

R

I

I

E

R

G

K

P

E

V

G

N

D

G

T

E

W

L

I

T

-

I

I

H

D

G

G

V

V

G

G

K

N

H

G

G

G

L

L

K

L

A

A

P

P

K

E

N

A

E

P

L

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

G

V

Q

Y

P

D

F

F

N

D

T

S

V

T

L

F

T

I

G

G

D

D

K

A

S

S

L

L

S

T

G

K

R
|
R

P

P

M

M

K

G

R

R

V

V

T

L

E

N

P

P

L

L

A

R

M

E

M

M

G

G

A

V

E

Q

I

V

K

K

T

S

T

E

E

D

R

G

G

D

T

R

A

L

P

P

L

V

H

T

I

L

T

R

G

G

K

P

A

K

G

T

Q

P

L

T

K

P

G

-

I

I

D

T

Y

Y

V

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

M

L

L

L

A

A

G

G

M

L

Y

N

A

T

Q

P

G

G

E

I

T

T

S

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

S

Q

G

G

F

F

G

G

Y

A

P

N

V

L

R

T

K

V

Q

E

G

T

N

D

-

A

-

D

-

G

-

V

-

R

K

T

I

I

T

R

I

L

N

E

A

G

E

R

G

G

K

K

L

L

T

T

A

G

S

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

L

L

V

V

G

A

A

A

S

L

I

L

A

V

P

P

G

G

S

S

D

D

L

V

T

T

L

I

K

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

H

D

I

I

E

E

I

V

L

I

N

N

E

P

R

R

L

L

V

A

G

G

E

E

P

D

V

V

A

A

D

D

L

L

H

R

V

V

V

R

Y

S

S

S

P

T

L

L

K

K

G

G

I

V

D

T

I

V

P

P

E

E

E

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

Q

A

T

T

R

V

L

M

S

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

K

K

I

L

L

N

G

G

V

V

D

D

A

C

Q

D

P

E

T

G

A

E

D

T

G

S

M

L

I

V

Q

R

G

G

G

R

-

P

-

D

-

G

-

K

-

G

-

L

G

G

K

N

I

A

G

S

G

G

G

A

V

A

V

V

D

A

S

T

H

H

G

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

S

F

F

S

L

I

V

A

M

G

G

L

L

R

V

A

S

G

E

A

N

P

P

I

V

T

T

I

V

L

D

D

D

C

A

A

T

N

M

V

I

N

A

T
|
T

S

S

F

F

R

P

E

E

F

F

K

M

Q

D

L

L

V

M

T

A

S

G

L

L

G

G

active site: K23 (= K25), S24 (= S26), D50 (= D52), N93 (= N96), R123 (= R126), D321 (= D320), E349 (= E348), H399 (= H392), R400 (= R393), T426 (= T419)
binding shikimate-3-phosphate: S24 (= S26), R28 (= R30), T96 (= T99), S168 (= S172), Q170 (= Q174), D321 (= D320), K348 (= K347)

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
28% identity, 93% coverage: 15:424/440 of query aligns to 12:417/426 of 3nvsA

query
sites
3nvsA

L

I

Q

S

G

G

E

E

T

V

R

N

V

L

P

P

G

G

D

S

K
|
K

S
|
S

M

V

S

S

H

N

R
|
R

S

A

I

L

M

L

L

L

G

A

S

A

L

L

A

A

E

S

G

G

V

T

T

T

H

R

V

L

K

T

G

N

F

L

L

L

E

D

A

S

E

D

D
|
D

A

I

L

R

A

H

T

M

L

L

Q

N

A

A

F

L

R

T

D

K

M

L

G

G

V

V

R

N

I

Y

E

R

G

L

P

S

V

A

N

D

G

K

E

T

L

T

T

C

-

E

I

V

H

E

G

G

V

L

G

G

K

Q

H

A

G

F

L

H

K

T

A

T

P

Q

K

P

N

L

E

E

L

L

Y

F

L

L

G

G

N
|
N

S

A

G
|
G

T
|
T

S

A

M

M

R

R

L

P

L

L

S

A

G

A

L

A

L

L

A

C

G

L

Q

G

P

Q

F

G

N

D

T

Y

V

V

L

L

T

T

G

G

D

E

K
x
P

S

R

L

M

S

K

G
x
E

R
|
R

P

P

M

I

K

G

R
x
H

V

L

T

V

E

D

P

A

L

L

A

R

M
x
Q

M

A

G

G

A

A

E

Q

I

I

K

E

T
x
Y

T

L

E
|
E

R
x
Q

-

E

G

N

T

F

A

P

P

P

L

L

H

R

I

I

T

Q

G

G

K

T

A

G

G

L

Q

Q

L

-

K

A

G

G

I

T

D

V

Y

T

V

I

M

D

P

G

M

S

A

I

S
|
S

A
x
S

Q
|
Q

V

F

K

L

S

T

C

A

L

F

M

L

L

M

A

S

G

A

M

P

Y

L

A

A

Q

Q

G

G

E

K

T

V

S

T

V

I

T

K

-

I

-

V

-

G

-

E

-

L

E

V

P
x
S

A

K

P

P

T
x
Y

R

I

D

D

H

I

T

T

E

L

R

H

M

I

L

M

S

E

G

Q

F

F

G

G

Y

V

P

Q

V

V

R

I

K

N

Q

H

G

D

N

Y

K

Q

I

E

T

F

I

V

N

I

A

P

E

A

G

G

K

Q

L

S

T

Y

A

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S

S

-

P

-

G

D

Q

I

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D

L

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V

P

E

S

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D

D

I

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S

S

A
|
A

A

S

F

Y

F

F

L

L

V

A

G

A

A

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x
A

I

I

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-

G

G

S

G

D

E

L

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T

K

L

V

K

T

H

G

V

I

G

G

I

K

N

N

P

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T

I

R

Q

T

G

G

D

V

I

-

Q

-

F

I

A

D

D

I

A

L

L

K

E

L

K

M

M

G

G

A

A

H

Q

I

I

E

E

I

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L

G

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D

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R

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G

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E

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-

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-

A

-

D

-

L

-

H

-

V

-

Y

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-

L

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A

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D

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F

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N

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P

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-

A

-

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|
D

E

A

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A

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M

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T

L

I

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A

V

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A

T

A

A

A

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C

F

A

A

E

K

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Q

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T

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A

L

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Y

E
x
N

L

W

R

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|
K

E
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E

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|
R

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M

M

A

A

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E

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I

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G

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K

I

L

G

I

G

H

G

A

V

A

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I

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D

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T

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Y

G

D

D

D

H
|
H

R
|
R

I

M

A

A

M

M

S

C

F

F

S

S

I

L

A

V

G

A

L

L

R

-

A

S

G

D

A

T

P

P

I

V

T

T

I

I

L

N

D

D

C

P

A

K

N

C

V

T

N

S

T
x
K

S

T

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F

R

P

E

D

F

Y

active site: K22 (= K25), S23 (= S26), D49 (= D52), N94 (= N96), P119 (≠ K121), R124 (= R126), H128 (≠ R130), Q135 (≠ M137), Y142 (≠ T144), E144 (= E146), A247 (= A242), A255 (≠ S250), D314 (= D320), E342 (= E348), H386 (= H392), R387 (= R393), K412 (≠ T419)
binding glyphosate: K22 (= K25), G96 (= G98), R124 (= R126), Q172 (= Q174), D314 (= D320), E342 (= E348), R345 (= R351), H386 (= H392), R387 (= R393)
binding magnesium ion: E123 (≠ G125), Q145 (≠ R147)
binding shikimate-3-phosphate: K22 (= K25), S23 (= S26), R27 (= R30), T97 (= T99), S170 (= S172), S171 (≠ A173), Q172 (= Q174), S198 (≠ P195), Y201 (≠ T198), D314 (= D320), N337 (≠ E343), K341 (= K347)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S23 (= S26), R27 (= R30), Q172 (= Q174), Y201 (≠ T198), D314 (= D320), K341 (= K347)

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)
28% identity, 93% coverage: 15:424/440 of query aligns to 12:417/426 of Q9KRB0

query
sites
Q9KRB0

L

I

Q

S

G

G

E

E

T

V

R

N

V

L

P

P

G

G

D

S

K
|
K

S
|
S

M

V

S

S

H

N

R
|
R

S

A

I

L

M

L

L

L

G

A

S

A

L

L

A

A

E

S

G

G

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T

T

H

R

V

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K

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G

N

F

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L

E

D

A

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E

D

D

D

A

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A

H

T

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A

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M

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A

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T

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T

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C

-

E

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G

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Q

H

A

G

F

L

H

K

T

A

T

P

Q

K

P

N

L

E

E

L

L

Y

F

L

L

G

G

N

N

S

A

G

G

T

T

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A

M

M

R

R

L

P

L

L

S

A

G

A

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A

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C

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Q

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D

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V

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T

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G

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P

A

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M

A

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G

A

A

E

Q

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I

K

E

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Y

T

L

E

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Q

-

E

G

N

T

F

A

P

P

P

L

L

H

R

I

I

T

Q

G

G

K

T

A

G

G

L

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-

K

A

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G

I

T

D

V

Y

T

V

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M

D

P

G

M

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A

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S
|
S

A
x
S

Q

Q

V

F

K

L

S

T

C

A

L

F

M

L

L

M

A

S

G

A

M

P

Y

L

A

A

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Q

G

G

E

K

T

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S

T

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-

I

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-

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-

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x
S

A

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T

Y

R

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E

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R

H

M

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I

G

G

I

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N

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-

Q

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M

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A

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A

-

R

G

G

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-

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-

A

-

D

-

L

-

H

-

V

-

Y

-

S

-

P

-

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A

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-

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|
D

E

A

F

A

P

M

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I

F

A

V

T

A

T

A

A

A

L

C

F

A

A

E

K

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G

Q

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T

R

A

L

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S

R

G

N

A

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E

Y

E
x
N

L

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R

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V

K
|
K

E

E

S

T

D

D

R

R

I

L

Q

A

V

A

M

M

A

A

D

T

G

E

L

L

K

R

I

K

L

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G

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A

D

T

A

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Q

E

P

E

T

G

A

E

D

D

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I

I

Q

T

G

P

G

T

K

K

I

L

G

I

G

H

G

A

V

A

V

I

D

D

S

T

H

Y

G

D

D

D

H

H

R

R

I

M

A

A

M

M

S

C

F

F

S

S

I

L

A

V

G

A

L

L

R

-

A

S

G

D

A

T

P

P

I

V

T

T

I

I

L

N

D

D

C

P

A

K

N

C

V

T

N

S

T

K

S

T

F

F

R

P

E

D

F

Y

K22 (= K25) binding 3-phosphoshikimate
S23 (= S26) binding 3-phosphoshikimate
R27 (= R30) binding 3-phosphoshikimate
S170 (= S172) binding 3-phosphoshikimate
S171 (≠ A173) binding 3-phosphoshikimate
S198 (≠ P195) binding 3-phosphoshikimate
D314 (= D320) binding 3-phosphoshikimate
N337 (≠ E343) binding 3-phosphoshikimate
K341 (= K347) binding 3-phosphoshikimate

P07547 Pentafunctional AROM polypeptide; EC 4.2.3.4; EC 2.5.1.19; EC 2.7.1.71; EC 4.2.1.10; EC 1.1.1.25 from Emericella nidulans (strain FGSC A4 / ATCC 38163 / CBS 112.46 / NRRL 194 / M139) (Aspergillus nidulans) (see 2 papers)
29% identity, 91% coverage: 22:421/440 of query aligns to 412:829/1583 of P07547

query
sites
P07547

P

P

G

G

D

S

K

K

S

S

M

I

S

S

H

N

R

R

S

A

I

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L

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G

A

S

A

L

L

A

G

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G

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V

I

K

K

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F

L

L

L

E

H

A

S

E

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D

D

A

T

L

E

A

V

T

M

L

L

Q

N

A

A

F

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D

R

M

L

G

G

V

A

-

A

R

T

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F

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W

P

E

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E

N

E

G

G

E

E

-

V

L

L

T

V

I

V

H

N

G

G

V

K

G

G

K

G

H

N

G

-

L

L

K

Q

A

A

P

S

K

S

N

S

E

P

L

L

Y

Y

L

L

G

G

N

N

S

A

G

G

T

T

S

A

M

S

R

R

L

F

L

L

S

T

G

T

L

V

-

A

-

T

L

L

A

A

G

N

Q

S

P

S

F

T

-

V

-

D

N

S

T

S

V

V

L

L

T

T

G

G

D

N

K

N

S

R

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P

M

I

K

G

R

D

V

L

T

V

E

D

P

A

L

L

A

T

M

A

M

N

G

G

A

A

E

S

I

I

K

E

T

Y

T

V

E

E

R

R

-

T

G

G

T

S

A

L

P

P

L

L

H

K

I

I

T

A

G

A

K

S

A

G

G

G

Q

F

L

A

K

G

G

G

I

N

D

I

Y

N

V

L

M

A

P

A

M

K

A

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S

A

S

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Q

V

Y

K

V

S

S

C

S

L

L

M

L

L

M

A

C

G

A

M

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Y

Y

A

A

Q

K

G

E

E

P

T

V

S

T

V

L

T

R

-

L

-

V

-

G

E

K

P

P

-

I

-

S

A

Q

P

P

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R

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D

D

H

M

T

T

E

T

R

A

M

M

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M

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F

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G

Y

I

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D

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V

R

Q

K

K

-

S

-

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Q

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G

E

N

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K

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T

H

I

I

N

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A

Q

E

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Y

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N

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P

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A

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E

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Y

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V

V

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D

I

A

S

S

A

A

A

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Y

F

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A

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A

A

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A

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V

A

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-

G

G

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T

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C

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T

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K

P

H

N

V

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G

G

-

S

-

A

-

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P

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A

T

R

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F

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A

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E

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V

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L

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R

L

P

M

M

G

G

A

C

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E

I

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N

E

E

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L

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T

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P

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H

-

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I

V

D

D

I

-

P

-

E

-

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P

P

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M

A

T

I

-

D

D

E

A

F

F

P

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L

A

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V

V

A

L

A

A

C

I

A

A

E

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-

E

-

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-

N

-

H

-

T

T

T

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G

A

I

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A

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N

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A

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A

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K

R

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-

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-

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-

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H

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D

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F

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K

A

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N

C

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V

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G

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K

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T

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W

Sites not aligning to the query:

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

7tm5B Crystal structure of shikimate-3-phosphate bound 3-phosphoshikimate 1- carboxyvinyltransferase from klebsiella pneumoniae
28% identity, 96% coverage: 6:427/440 of query aligns to 3:420/427 of 7tm5B

query
sites
7tm5B

T

S

F

L

K

T

V

L

N

Q

P

P

G

I

G

A

N

R

L

V

Q

E

G

G

E

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R

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V

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P

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G

D

S

K
|
K

S
|
S

M

V

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S

H

N

R
|
R

S

A

I

L

M

L

L

L

G

A

S

A

L

L

A

A

E

R

G

G

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T

T

H

V

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K

T

G

N

F

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L

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E

D

A

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E

D

D

D

A

V

L

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A

H

T

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N

A

A

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D

A

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N

D

-

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G

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G

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N

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G

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G

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A

A

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A

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A

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E

E

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Y

F

L

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N

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A

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A

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A

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A

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N

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A

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M

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A

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E

R

Q

-

E

G

N

T

Y

A

P

P

P

L

L

H

R

I

L

T

R

G

G

K

-

A

-

G

G

Q

F

L

Q

K

G

G

G

I

N

D

V

Y

E

V

V

M

D

P

G

M

S

A

V

S
|
S

A
x
S

Q
|
Q

V

F

K

L

S

T

C

A

L

L

M

L

L

M

A

T

G

A

M

P

Y

L

A

A

Q

P

G

Q

E

D

T

T

S

V

V

I

T

V

-

I

-

K

-

G

-

D

-

L

E

V

P
x
S

A

K

P

P

T
x
Y

R

I

D

D

H

I

T

T

E

L

R

H

M

L

L

M

S

K

G

T

F

F

G

G

Y

V

P

E

V

V

R

D

K

N

Q

Q

G

S

N

Y

K

Q

-

R

-

F

I

V

T

V

I

R

N

G

A

K

E

Q

G

Q

K

Y

L

Q

T

S

A

P

S

G

D

D

I

Y

D

L

V

V

P

E

S

G

D

D

I

A

S

S

A

A

A

S

F

Y

F

F

L

L

V

A

G

A

A

G

S

A

I

I

A

K

P

G

G

G

S

T

D

-

L

V

T

K

L

V

K

T

H

G

V

I

G

G

I

R

N

N

P

S

T

V

R

Q

T

G

G

D

V

I

-

R

-

F

I

A

D

D

I

V

L

L

K

E

L

K

M

M

G

G

A

A

H

T

I

V

E

T

I

W

L

-

N

-

E

-

R

-

L

-

V

-

G

G

G

D

E

D

P

F

V

I

A

A

D

C

L

T

H

H

V

-

Y

-

S

G

P

E

L

L

K

K

G

A

I

V

D

D

I

M

P

D

E

M

E

N

L

H

V

I

P

P

L

-

A

-

I

-

D
|
D

E

A

F

A

P

M

V

T

L

I

F

A

V

T

A

A

A

L

C

F

A

A

E

Q

G

G

Q

T

T

T

R

T

L

L

S

R

G

N

A

I

E

Y

E
x
N

L

W

R

R

V

V

K
|
K

E

E

S

T

D

D

R

R

I

L

Q

F

V

A

M

M

A

A

D

T

G

E

L

L

K

R

I

K

L

V

G

G

V

A

D

E

A

V

Q

E

P

E

T

G

A

E

D

D

G

Y

M

I

I

R

I

I

Q

T

G

P

G

A

K

K

I

L

G

K

G

Y

G

A

V

E

V

I

D

G

S

T

H

Y

G

N

D

D

H

H

R

R

I

M

A

A

M

M

S

C

F

F

S

S

I

L

A

V

G

A

L

L

R

-

A

S

G

D

A

T

P

P

I

V

T

T

I

I

L

L

D

D

C

P

A

K

N

C

V

T

N

A

T

K

S

T

F

F

R

P

E

D

-

Y

F

F

K

E

Q

Q

L

L

binding shikimate-3-phosphate: K22 (= K25), S23 (= S26), R27 (= R30), S169 (= S172), S170 (≠ A173), Q171 (= Q174), S197 (≠ P195), Y200 (≠ T198), D313 (= D320), N336 (≠ E343), K340 (= K347)

7tm6A Crystal structure of shikimate-3-phosphate and glyphosate bound 3- phosphoshikimate 1-carboxyvinyltransferase from klebsiella pneumoniae
28% identity, 96% coverage: 6:427/440 of query aligns to 2:419/426 of 7tm6A

query
sites
7tm6A

T

S

F

L

K

T

V

L

N

Q

P

P

G

I

G

A

N

R

L

V

Q

E

G

G

E

T

T

V

R

N

V

L

P

P

G

G

D

S

K
|
K

S
|
S

M

V

S

S

H

N

R
|
R

S

A

I

L

M

L

L

L

G

A

S

A

L

L

A

A

E

R

G

G

V

T

T

T

H

V

V

L

K

T

G

N

F

L

L

L

E

D

A

S

E

D

D

D

A

V

L

R

A

H

T

M

L

L

Q

N

A

A

F

L

R

S

D

A

M

L

G

G

V

V

R

Q

I

Y

E

T

G

L

P

S

V

A

N

D

-

R

G

T

E

R

L

C

T

E

I

V

H

T

G

G

V

N

G

G

K

G

H

P

G

L

L

R

K

S

A

A

P

A

K

A

N

L

E

E

L

L

Y

F

L

L

G

G

N

N

S

A

G
|
G

T
|
T

S

A

M

M

R

R

L

P

L

L

S

A

G

A

L

A

L

L

A

C

G

L

Q

G

P

S

F

N

N

D

T

I

V

V

L

L

T

T

G

G

D

E

K

P

S

R

L

M

S

K

G

E

R
|
R

P

P

M

I

K

G

R

H

V

L

T

V

E

D

P

A

L

L

A

R

M

Q

M

G

G

G

A

A

E

Q

I

I

K

D

T

C

T

L

E

E

R

Q

-

E

G

N

T

Y

A

P

P

P

L

L

H

R

I

L

T

R

G

G

K

-

A

-

G

G

Q

F

L

Q

K

G

G

G

I

N

D

V

Y

E

V

V

M

D

P

G

M

S

A

V

S
|
S

A
x
S

Q
|
Q

V

F

K

L

S

T

C

A

L

L

M

L

L

M

A

T

G

A

M

P

Y

L

A

A

Q

P

G

Q

E

D

T

T

S

V

V

I

T

V

-

I

-

K

-

G

-

D

-

L

E

V

P
x
S

A

K

P

P

T
x
Y

R

I

D

D

H

I

T

T

E

L

R

H

M

L

L

M

S

K

G

T

F

F

G

G

Y

V

P

E

V

V

R

D

K

N

Q

Q

G

S

N

Y

K

Q

-

R

-

F

I

V

T

V

I

R

N

G

A

K

E

Q

G

Q

K

Y

L

Q

T

S

A

P

S

G

D

D

I

Y

D

L

V

V

P

E

S

G

D

D

I

A

S

S

A

A

A

S

F

Y

F

F

L

L

V

A

G

A

A

G

S

A

I

I

A

K

P

G

G

G

S

T

D

-

L

V

T

K

L

V

K

T

H

G

V

I

G

G

I

R

N

N

P

S

T

V

R

Q

T

G

G

D

V

I

-

R

-

F

I

A

D

D

I

V

L

L

K

E

L

K

M

M

G

G

A

A

H

T

I

V

E

T

I

W

L

-

N

-

E

-

R

-

L

-

V

-

G

G

G

D

E

D

P

F

V

I

A

A

D

C

L

T

H

H

V

-

Y

-

S

G

P

E

L

L

K

K

G

A

I

V

D

D

I

M

P

D

E

M

E

N

L

H

V

I

P

P

L

-

A

-

I

-

D
|
D

E

A

F

A

P

M

V

T

L

I

F

A

V

T

A

A

A

L

C

F

A

A

E

Q

G

G

Q

T

T

T

R

T

L

L

S

R

G

N

A

I

E

Y

E
x
N

L

W

R

R

V

V

K
|
K

E
|
E

S

T

D

D

R
|
R

I

L

Q

F

V

A

M

M

A

A

D

T

G

E

L

L

K

R

I

K

L

V

G

G

V

A

D

E

A

V

Q

E

P

E

T

G

A

E

D

D

G

Y

M

I

I

R

I

I

Q

T

G

P

G

A

K

K

I

L

G

K

G

Y

G

A

V

E

V

I

D

G

S

T

H

Y

G

N

D

D

H
|
H

R
|
R

I

M

A

A

M

M

S

C

F

F

S

S

I

L

A

V

G

A

L

L

R

-

A

S

G

D

A

T

P

P

I

V

T

T

I

I

L

L

D

D

C

P

A

K

N

C

V

T

N

A

T

K

S

T

F

F

R

P

E

D

-

Y

F

F

K

E

Q

Q

L

L

binding glyphosate: K21 (= K25), G95 (= G98), R123 (= R126), Q170 (= Q174), D312 (= D320), E340 (= E348), R343 (= R351), H384 (= H392), R385 (= R393)
binding shikimate-3-phosphate: S22 (= S26), R26 (= R30), T96 (= T99), S168 (= S172), S169 (≠ A173), Q170 (= Q174), S196 (≠ P195), Y199 (≠ T198), D312 (= D320), N335 (≠ E343), K339 (= K347)

7tbuA Crystal structure of the 5-enolpyruvate-shikimate-3-phosphate synthase (epsps) domain of aro1 from candida albicans in complex with shikimate-3-phosphate (see paper)
31% identity, 92% coverage: 9:413/440 of query aligns to 6:431/450 of 7tbuA

query
sites
7tbuA

V

V

N

H

P

P

G

F

G

T

N

N

L

P

Q

P

G

K

E

E

T

N

R

I

V

I

-

V

-

P

P

P

G

G

D

S

K

K

S
|
S

M

I

S

S

H

N

R
|
R

S

A

I

L

M

I

L

L

G

A

S

A

L

L

A

G

E

N

G

G

V

T

T

V

H

R

V

V

K

K

G

N

F

L

L

L

E

H

A

S

E

D

D

D

A

T

L

K

A

H

T

M

L

L

Q

D

A

A

F

V

R

A

D

S

M

L

-

K

G

G

V

A

R

E

I

I

E

S

G

T

P

E

V

D

N

N

G

G

E

E

-

T

L

I

T

V

I

V

H

K

G

G

V

N

G

G

K

G

H

N

G

-

L

L

K

V

A

T

P

S

K

G

N

E

E

E

L

L

Y

Y

L

L

G

G

N

N

S

A

G

G

T

T

S

A

M

S

R

R

L

F

L

L

S

T

G

T

L

V

-

A

-

S

L

L

A

V

G

G

Q

K

P

S

F

Q

-

A

-

S

-

D

N

D

T

V

V

I

L

L

T

T

G

G

D

N

K

A

S

R

L

M

S

Q

G

E

R

R

P

P

M

I

K

G

R

P

V

L

T

V

E

D

P

A

L

L

A

R

M

S

M

N

G

G

A

S

E

E

I

I

K

E

T

Y

-

L

T

N

E

K

R

Q

G

G

T

S

A

L

P

P

L

L

H

K

I

I

T

S

G

A

K

G

A

N

G

G

Q

-

L

L

K

K

G

G

-

G

-

R

I

I

D

E

Y

L

V

A

M

A

P

T

M

I

A
x
S

S
|
S

A
x
Q

Q

Y

V

V

K

S

S

S

C

I

L

L

M

M

L

C

A

A

G

P

M

-

Y

Y

A

A

Q

K

G

E

E

P

T

V

S

T

V

L

T

A

-

L

-

V

-

G

E

K

P

P

A

I

P
x
S

T

Q

R

L

-
x
Y

-

I

D

D

H

M

T

T

E

C

R

A

M

M

L

M

S

K

G

S

F

F

G

G

Y

I

P

E

V

V

R

T

K

K

Q

S

G

T

N

T

K

E

I

E

T

Y

I

T

N

Y

A

H

E

I

G

P

K

K

L

G

T

T

-

Y

-

K

-

N

A

P

S

S

D

E

I

Y

D

V

V

I

P

E

S

S

D

D

I

A

S

S

A

A

A

T

F

Y

F

P

L

L

V

A

G

F

A

A

S

A

I

M

A

T

P

-

G

G

S

T

D

S

L

C

T

T

L

I

K

P

H

N

V

I

G

G

I

S

N

S

P

S

T

L

R

Q

-

G

-

D

-

A

T

K

G

F

V

A

I

V

D

D

I

V

L

L

K

K

L

P

M

M

G

G

A

C

H

K

I

V

E

E

-

Q

I

T

L

T

N

T

E

S

R

T

L

T

V

V

G

T

G

G

E

P

P

P

V

R

A

G

D

H

L

L

H

K

V

-

Y

-

S

-

P

P

L

L

K

P

G

H

I

V

D

D

I

-

P

-

E

-

L

M

V

E

P

P

L

M

A

T

I

-

D

D

E

A

F

F

P

L

V

T

L

A

F

S

V

V

A

V

A

A

C

V

A

A

E

K

G

G

-

G

-

S

Q

S

T

T

R

S

L

I

S

T

G

G

A

I

E

A

E

N

L

Q

R

R

V

V

K

K

E

E

S

C

D

N

R

R

I

I

Q

E

V

A

M

M

A

V

D

T

G

E

L

L

K

A

I

K

L

F

G

G

V

V

D

P

A

A

Q

N

P

E

T

L

A

P

D

D

G

G

M

I

I

E

I

I

Q

H

G

G

-

I

-

D

-

I

-

E

-

D

-

L

-

K

G

T

G

P

K

E

I

I

G

S

G

K

G

R

V

G

V

V

D

S

S

S

H

Y

G

D

D

D

H

H

R

R

I

V

A

A

M

M

S

S

F

F

S

S

I

L

A

L

G

A

L

G

R

L

A

C

G

K

A

E

P

P

I

V

T

L

I

I

L

L

D

E

binding shikimate-3-phosphate: S25 (= S26), R29 (= R30), S178 (≠ A171), S179 (= S172), Q180 (≠ A173), S207 (≠ P197), Y210 (vs. gap)

P11043 3-phosphoshikimate 1-carboxyvinyltransferase, chloroplastic; 5-enolpyruvylshikimate-3-phosphate synthase; EPSP synthase; EC 2.5.1.19 from Petunia hybrida (Petunia) (see paper)
29% identity, 95% coverage: 9:424/440 of query aligns to 79:506/516 of P11043

query
sites
P11043

V

L

N

Q

P

P

G

I

G

K

N

E

L

I

Q

S

G

G

E

T

T

V

R

K

V

L

P

P

G

G

D

S

K

K

S

S

M

L

S

S

H

N

R

R

S

I

I

L

M

L

L

L

G

A

S

A

L

L

A

S

E

E

G

G

V

T

T

T

H

V

V

V

K

D

G

N

F

L

L

L

E

S

A

S

E

D

D

D

A

I

L

H

A

Y

T

M

L

L

Q

G

A

A

F

L

R

K

D

T

M

L

G

G

V

L

R

H

I

V

E

E

-

E

G

D

P

S

V

A

N

N

G

Q

E

R

L

A

T

V

I

V

H

E

G

G

V

C

G

G

K

-

H

-

G

G

L

L

-

F

-

P

-

V

-

G

K

K

A

E

P

S

K

K

N

E

E

E

-

I

-

Q

L

L

Y

F

L

L

G

G

N

N

S

A

G
|
G

T

T

S

A

M

M

R

R

L

P

L

L

S

T

G

A

-

A

-

V

L

T

L

V

A

A

G

G

Q

G

P

N

F

S

N

R

T

Y

V

V

L

L

T

D

G

G

D

V

K

P

S

R

L

M

S

R

G

E

R

R

P

P

M

I

K

S

R

D

V

L

T

V

E

D

P

G

L

L

A

K

M

Q

M

L

G

G

A

A

E

E

I

V

K

D

T

C

T

F

E

-

R

L

G

G

T

T

A

K

-

C

-

P

P

P

L

V

H

R

I

I

T

V

G

S

K

K

A

G

G

G

Q

L

L

P

K

G

G

G

I

K

D

V

Y

K

V

L

M

S

P

G

M

S

A

I

S

S

A

S

Q

Q

V

Y

K

L

S

T

C

A

L

L

M

L

L

M

A

A

G

A

M

P

Y

L

A

A

Q

L

G

G

E

D

T

V

S

E

V

I

T

E

E

I

-

I

-

D

-

K

-

L

-

I

P

S

A

V

P

P

T

Y

R

V

D

E

H

M

T

T

E

L

R

K

M

L

L

M

S

E

G

R

F

F

G

G

Y

I

P

S

V

V

R

E

K

H

Q

S

G

S

N

S

K

W

I

D

T

R

I

F

N

F

A

V

E

R

G

G

-

G

-

Q

-

K

K

Y

L

K

T

S

A

P

S

G

D

K

I

A

D

F

V

V

P

E

S

G

D

D

I

A

S

S

A

A

A

S

F

Y

F

F

L

L

V

A

G

G

A

A

S

A

I

V

A

T

P

G

G

G

S

T

D

-

L

I

T

T

L

V

K

E

H

G

V

C

G

G

I

T

N

N

P

S

T

L

R

Q

T

G

G

D

V

V

-

K

-

F

I

A

D

E

I

V

L

L

K

E

L

K

M

M

G

G

A

A

H

E

I

V

E

T

I

W

L

T

-

E

N

N

E

S

R

V

L

T

V

V

G

K

G

G

E

P

P

P

V

R

A

S

D

S

L

S

H

G

V

R

V

K

Y

H

S

-

P

-

L

L

K

R

G

A

I

I

D

D

I

V

P

N

E

M

E

N

L

K

V

M

P

P

L

-

A

-

I

-

D

D

E

V

F

A

P

M

V

T

L

L

F

A

V

V

A

V

A

A

A

L

C

Y

A

A

E

D

G

G

Q

P

T

T

R

A

L

I

S

R

G

D

A

V

E

A

E

S

L

W

R

R

V

V

K

K

E

E

S

T

D

E

R

R

I

M

Q

I

V

A

M

I

A

C

D

T

G

E

L

L

K

R

I

K

L

L

G

G

V

A

D

T

A

V

Q

E

P

E

T

G

A

P

D

D

G

Y

M

C

I

I

Q

T

G

P

G

E

K

K

I

L

G

N

G

V

G

T

V

D

V

I

D

D

S

T

H

Y

G

D

D

D

H

H

R

R

I

M

A

A

M

M

S

A

F

F

S

S

I

L

A

A

G

A

L

C

R

-

A

A

G

D

A

V

P

P

I

V

T

T

I

I

L

N

D

D

C

P

A

G

N

C

V

T

N

R

T

K

S

T

F

F

R

P

E

N

F

Y

G173 (= G98) mutation to A: This mutant becomes resistant to glyphosate due to a lower affinity. Shows a slight reduction in EPSP synthase activity.

6hqvA Pentafunctional arom complex from chaetomium thermophilum (see paper)
29% identity, 89% coverage: 22:413/440 of query aligns to 405:809/1555 of 6hqvA

query
sites
6hqvA

P

P

G

G

D

S

K

K

S

S

M

I

S

S

H

N

R
|
R

S

A

I

L

M

V

L

L

G

A

S

A

L

L

A

G

E

E

G

G

V

T

T

T

H

R

V

I

K

H

G

G

F

L

L

L

E

H

A

S

E

D

D

D

A

V

L

Q

A

Y

T

M

L

L

Q

A

A

A

F

I

R

E

D

Q

M

L

-

H

G

G

V

A

R

D

I

F

E

S

G

W

P

E

V

D

N

A

G

G

E

E

L

I

T

L

I

V

H

-

G

V

V

T

G

G

K

K

H

G

G

G

-

K

L

L

K

Q

A

A

P

S

K

K

N

E

E

P

L

L

Y

Y

L

L

G

G

N

N

S

A

G

G

T

T

S

A

M

S

R

R

L

F

L

L

S

T

G

S

L

V

A

A

-

L

-

C

-

A

-

P

G

S

Q

A

P

V

F

S

N

S

T

T

V

V

L

L

T

T

G

G

D

N

K

A

S

R

L

M

S

K

G

V

R

R

P

P

M

I

K

G

R

A

V

L

T

V

E

D

P

A

L

L

A

R

M

A

M

N

G

G

A

V

E

G

I

V

K

K

T

Y

T

L

E

E

R

K

-

E

G

K

T

S

A

L

P

P

L

V

H

E

I

V

T

D

G

A

K

A

A

G

G

G

Q

F

L

A

K

G

G

G

I

V

D

I

Y

E

V

L

M

A

P

A

M

T

A

V

S

S

A
x
S

Q
|
Q

V

Y

K

V

S

S

C

S

L

I

M

L

L

M

A

A

G

A

M

P

Y

Y

A

A

Q

H

G

Q

E

P

T

V

S

T

V

L

T

R

-

L

-

V

-

G

E

K

P

P

-

I

-

S

A

Q

P

P

T

Y

R

I

D

D

H

M

T

T

E

I

R

A

M

M

L

M

S

A

G

S

F

F

G

G

Y

I

P

K

V

V

R

E

K

R

Q

S

G

A

-

E

-

D

-

P

N

N

K

T

I

Y

T

L

I

I

N

P

A

K

E

G

G

V

K

Y

L

K

T

N

A

P

S

P

D

E

I

Y

D

V

V

V

P

E

S

S

D

D

I

A

S

S

A

A

A

T

F

Y

F

P

L

L

V

A

G

V

A

A

S

A

I

I

A

T

P

-

G

G

S

T

D

T

L

C

T

T

L

I

K

P

H

N

V

I

G

G

I

S

N

E

P

S

T

L

R

Q

-

G

-

D

-

A

T

R

G

F

V

A

I

V

D

E

I

V

L

L

K

R

L

P

M

M

G

G

A

C

H

A

I

V

E

E

-

Q

I

T

L

A

N

T

E

S

R

T

L

T

V

V

G

T

G

G

E

P

P

P

V

I

A

G

D

T

L

L

H

K

V

A

V

-

Y

-

S

-

P

-

L

-

K

-

G

-

I

-

D

-

I

I

P

P

E

H

E

V

L

D

V

M

P

E

L

P

A

M

I

T

D

D

E

A

F

F

P

L

V

T

L

A

F

A

V

V

A

L

A

A

C

V

A

A

E

D

G

G

Q

T

T

T

R

Q

L

I

S

T

G

G

A

I

E

A

E

N

L

Q

R

R

V

V

K

K

E

E

S

C

D

N

R

R

I

I

Q

A

V

A

M

M

A

K

D

D

G

Q

L

L

K

A

I

K

L

F

G

G

V

V

D

Q

A

C

Q

N

P

E

T

L

A

E

D

D

G

G

M

I

I

E

I

V

Q

I

G

G

G

K

-

P

-

Y

-

Q

-

E

-

L

-

R

G

N

K

P

I

V

G

E

G

G

G

-

V

-

V

I

D

Y

S

C

H

Y

G

D

D

D

H

H

R

R

I

V

A

A

M

M

S

S

F

H

S

S

I

V

A

L

G

S

L

T

R

I

A

S

G

P

A

H

P

P

I

V

T

L

I

I

L

L

D

E

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: R413 (= R30), S562 (≠ A173), Q563 (= Q174)

Sites not aligning to the query:

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

2pq9A E. Coli epsps liganded with (r)-difluoromethyl tetrahedral reaction intermediate analog (see paper)
28% identity, 96% coverage: 6:427/440 of query aligns to 3:420/427 of 2pq9A

query
sites
2pq9A

T

S

F

L

K

T

V

L

N

Q

P

P

G

I

G

A

N

R

L

V

Q

D

G

G

E

T

T

I

R

N

V

L

P

P

G

G

D

S

K
|
K

S
|
S

M

V

S

S

H

N

R
|
R

S

A

I

L

M

L

L

L

G

A

S

A

L

L

A

A

E

H

G

G

V

K

T

T

H

V

V

L

K

T

G

N

F

L

L

L

E

D

A

S

E

D

D
|
D

A

V

L

R

A

H

T

M

L

L

Q

N

A

A

F

L

R

T

D

A

M

L

G

G

V

V

-

S

-

Y

-

T

-

L

-

S

-

A

-

D

-

R

-

T

R

R

I

C

E

E

-

I

-

G

-

N

-

G

G

G

P

P

V

L

N

H

G

A

E

E

L

G

T

A

I

L

H

-

G

-

V

-

G

-

K

-

H

-

G

-

L

-

K

-

A

-

P

-

K

-

N

-

E

E

L

L

Y

F

L

L

G

G

N
|
N

S

A

G
|
G

T
|
T

S

A

M

M

R

R

L

P

L

L

S

A

G

A

L

A

L

L

A

C

G

L

Q

G

P

S

F

N

N

D

T

I

V

V

L

L

T

T

G

G

D

E

K
x
P

S

R

L

M

S

K

G

E

R
|
R

P

P

M

I

K

G

R

H

V

L

T

V

E

D

P

A

L

L

A

R

M

L

M

G

G

G

A

A

E

K

I

I

K

T

T

Y

T

L

E

E

R

Q

-

E

G

N

T

Y

A

P

P

P

L

L

H

R

I

L

T

Q

G

G

K

-

A

-

G

G

Q

F

L

T

K

G

G

G

I

N

D

V

Y

D

V

V

M

D

P

G

M

S

A

V

S
|
S

A
x
S

Q
|
Q

V

F

K

L

S

T

C

A

L

L

M

L

L

M

A

T

G

A

M

P

Y

L

A

A

Q

P

G

E

E

D

T

T

S

V

V

I

T

R

-

I

-

K

-

G

-

D

-

L

E

V

P
x
S

A

K

P

P

T
x
Y

R

I

D

D

H

I

T

T

E

L

R

N

M

L

L

M

S

K

G

T

F

F

G

G

Y

V

P

E

V

I

R

E

K

N

Q

Q

G

H

N

Y

K

Q

I

Q

T

F

I

V

N

V

A

K

E

G

G

G

K

Q

L

S

T

Y

A

Q

S

S

-

P

-

G

D

T

I

Y

D

L

V

V

P

E

S

G

D

D

I

A

S

S

A

A

A

S

F

Y

F

F

L

L

V

A

G

A

A

A

S

A

I

I

A

K

P

G

G

G

S

T

D

-

L

V

T

K

L

V

K

T

H

G

V

I

G

G

I

R

N

N

P

S

T

M

R

Q

T

G

G

D

V

I

-

R

-

F

I

A

D

D

I

V

L

L

K

E

L

K

M

M

G

G

A

A

H

T

I

I

E

-

I

-

L

-

N

-

E

-

R

-

L

C

V

W

G

G

G

D

E

D

P

Y

V

I

A

S

D

-

L

-

H

-

V

C

V

T

Y

R

S

G

P

E

L

L

K

N

G

A

I

I

D

D

I

M

P

D

E

M

E

N

L

H

V

I

P

P

L

-

A

-

I

-

D
|
D

E

A

F

A

P

M

V

T

L

I

F

A

V

T

A

A

A

L

C

F

A

A

E

K

G

G

Q

T

T

T

R

T

L

L

S

R

G

N

A

I

E

Y

E
x
N

L

W

R

R

V

V

K
|
K

E
|
E

S

T

D

D

R
|
R

I

L

Q

F

V

A

M

M

A

A

D

T

G

E

L

L

K

R

I

K

L

V

G

G

V

A

D

E

A

V

Q

E

P

E

T

G

A

H

D

D

G

Y

M

I

I

R

I

I

Q

T

G

P

G

E

K

K

I

L

G

N

G

F

G

A

V

E

V

I

D

A

S

T

H

Y

G

N

D

D

H
|
H

R
|
R

I

M

A

A

M

M

S

C

F

F

S

S

I

L

A

V

G

A

L

L

R

-

A

S

G

D

A

T

P

P

I

V

T

T

I

I

L

L

D

D

C

P

A

K

N

C

V

T

N

A

T
x
K

S

T

F

F

R

P

E

D

-

Y

F

F

K

E

Q

Q

L

L

active site: K22 (= K25), S23 (= S26), D49 (= D52), N94 (= N96), P119 (≠ K121), R124 (= R126), D313 (= D320), E341 (= E348), H385 (= H392), R386 (= R393), K411 (≠ T419)
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 (= K25), S23 (= S26), R27 (= R30), G96 (= G98), T97 (= T99), R124 (= R126), S169 (= S172), S170 (≠ A173), Q171 (= Q174), S197 (≠ P195), Y200 (≠ T198), D313 (= D320), N336 (≠ E343), K340 (= K347), R344 (= R351), H385 (= H392), R386 (= R393), K411 (≠ T419)

Query Sequence

>WP_020562928.1 NCBI__GCF_000372865.1:WP_020562928.1
MTKTITFKVNPGGNLQGETRVPGDKSMSHRSIMLGSLAEGVTHVKGFLEAEDALATLQAF
RDMGVRIEGPVNGELTIHGVGKHGLKAPKNELYLGNSGTSMRLLSGLLAGQPFNTVLTGD
KSLSGRPMKRVTEPLAMMGAEIKTTERGTAPLHITGKAGQLKGIDYVMPMASAQVKSCLM
LAGMYAQGETSVTEPAPTRDHTERMLSGFGYPVRKQGNKITINAEGKLTASDIDVPSDIS
SAAFFLVGASIAPGSDLTLKHVGINPTRTGVIDILKLMGAHIEILNERLVGGEPVADLHV
VYSPLKGIDIPEELVPLAIDEFPVLFVAAACAEGQTRLSGAEELRVKESDRIQVMADGLK
ILGVDAQPTADGMIIQGGGKIGGGVVDSHGDHRIAMSFSIAGLRAGAPITILDCANVNTS
FREFKQLVTSLGLDLVSEES

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