SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_245258033.1 NCBI__GCF_000166055.1:WP_245258033.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

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

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

Q9R4E4 3-phosphoshikimate 1-carboxyvinyltransferase; 5-enolpyruvylshikimate-3-phosphate synthase; EPSP synthase; EPSPS; CP4 EPSP synthase; EC 2.5.1.19 from Agrobacterium sp. (strain CP4) (see paper)
57% identity, 96% coverage: 2:433/448 of query aligns to 12:448/455 of Q9R4E4

query
sites
Q9R4E4

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S29 (= S19) binding 3-phosphoshikimate
R33 (= R23) binding 3-phosphoshikimate
A100 (≠ G91) mutation to G: Confers sensitivity to glyphosate allowing glyphosate to bind in its extended, inhibitory conformation.
S173 (= S164) binding 3-phosphoshikimate
A174 (= A165) binding 3-phosphoshikimate
Q175 (= Q166) binding 3-phosphoshikimate
D326 (= D316) binding 3-phosphoshikimate
K353 (= K343) binding 3-phosphoshikimate

2pqcA Cp4 epsps liganded with (r)-phosphonate tetrahedral reaction intermediate analog (see paper)
57% identity, 96% coverage: 2:433/448 of query aligns to 7:443/445 of 2pqcA

query
sites
2pqcA

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active site: K23 (= K18), S24 (= S19), D50 (= D45), N93 (= N89), R123 (= R119), D321 (= D316), E349 (= E344), H399 (= H389), R400 (= R390), T426 (= T416)
binding [3r-[3a,4a,5b(r*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid: K23 (= K18), S24 (= S19), R28 (= R23), T96 (= T92), R123 (= R119), S168 (= S164), Q170 (= Q166), D321 (= D316), K348 (= K343), E349 (= E344), R352 (= R347), R400 (= R390)

2pqbA Cp4 epsps liganded with (r)-difluoromethyl tetrahedral intermediate analog (see paper)
57% identity, 96% coverage: 2:433/448 of query aligns to 7:443/445 of 2pqbA

query
sites
2pqbA

S

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T

V

V

V

L

R

G

G

L

R

P

P

K

D

V

G

R

K

G

G

-

L

-

G

-

N

-

A

-

S

G

G

A

A

T

A

I

V

K

A

T

T

H

H

M

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

S

F

F

L

L

V

V

L

M

G

G

L

L

A

V

T

S

E

E

E

N

P

P

V

V

T

T

V

V

D

D

A

A

S

T

M

M

I

I

A

A

T
|
T

S

S

F

F

P

P

E

E

F

F

R

M

T

D

L

L

M

M

Q

A

Q

G

V

L

G

G

A

A

T

K

L

I

D

E

active site: K23 (= K18), S24 (= S19), D50 (= D45), N93 (= N89), R123 (= R119), D321 (= D316), E349 (= E344), H399 (= H389), R400 (= R390), T426 (= T416)
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 (= K18), S24 (= S19), R28 (= R23), A95 (≠ G91), T96 (= T92), R123 (= R119), S168 (= S164), Q170 (= Q166), D321 (= D316), K348 (= K343), E349 (= E344), R352 (= R347), R400 (= R390)

2ggaA Cp4 epsp synthase liganded with s3p and glyphosate (see paper)
57% identity, 96% coverage: 2:433/448 of query aligns to 7:443/445 of 2ggaA

query
sites
2ggaA

S

A

R

R

K

K

S

S

G

S

R

G

L

L

Q

S

G

G

A

T

V

V

V

R

V

I

P

P

G

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

A

S

L

F

I

M

L

F

G

G

A

G

L

L

A

A

E

S

G

G

R

E

T

T

R

R

I

I

T

T

G

G

L

L

E

E

A

G

E

E

D
|
D

I

V

L

I

C

N

T

T

A

G

R

K

A

A

L

M

E

Q

A

A

L

M

G

G

A

A

G

R

V

I

E

R

R

K

D

E

A

G

D

D

G

-

A

T

W

W

T

I

V

I

T

D

G

G

R

V

G

G

L

N

G

G

L

L

A

L

A

A

P

P

A

E

G

A

D

P

L

L

D

D

F

F

G

G

N
|
N

S
x
A

G
x
A

T
|
T

G

G

A

C

R

R

L

L

M

T

M

M

G

G

V

L

V

V

A

G

G

V

H

Y

P

D

L

F

A

D

A

S

R

T

F

F

T

I

G

G

D

D

A

A

S

S

L

L

Q

T

K

K

R
|
R

P

P

M

M

G

G

R

R

V

V

L

L

A

N

P

P

L

L

Q

R

S

E

M

M

G

G

L

V

A

Q

I

V

E

K

E

S

E

E

G

D

R

G

N

D

T

R

L

L

P

P

L

V

T

T

L

L

V

R

G

G

T

P

G

K

D

T

L

P

V

T

P

P

I

I

S

T

Y

Y

R

R

L

V

P

P

V

M

P

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

A

A

V

V

L

L

A

A

G

G

L

L

F

N

A

T

S

P

G

G

E

I

T

T

S

T

V

V

I

I

E

E

S

P

E

I

K

M

S

T

R
|
R

D

D

H

H

T

T

E

E

K

K

M

M

L

L

R

Q

Y

G

F

F

G

G

A

A

E

N

I

L

S

T

V

V

E

E

P

T

F

D

E

A

G

D

G

G

L

V

R

R

-

T

I

I

A

R

L

L

E

E

G

G

R

R

R

G

T

K

L

L

Q

T

G

G

Q

Q

P

V

V

I

A

D

V

V

P

P

G

G

D

D

P

P

S

S

A

T

A

A

F

F

L

P

V

L

A

V

A

A

L

L

I

L

T

V

P

P

A

G

S

S

D

D

I

V

L

T

V

I

K

L

N

N

V

V

L

L

V

M

N

N

P

P

T

T

R

R

T

T

G

G

F

L

Y

I

E

L

T

T

L

L

A

Q

E

E

M

M

G

G

A

A

D

D

I

I

S

E

F

V

E

I

N

N

E

P

R

R

E

L

V

A

S

G

G

G

E

E

P

D

V

V

A

A

D

D

I

L

R

R

A

V

R

R

T

S

S

S

E

T

L

L

R

K

G

G

V

V

T

T

V

V

P

P

A

E

A

D

R

R

A

A

P

P

S

S

M

M

I

I

D
|
D

E

E

Y

Y

P

P

M

I

L

L

A

A

A

V

L

A

A

A

T

A

L

F

A

A

E

E

G

G

E

A

T

T

L

V

M

M

E

N

G

G

L

L

A

E

E

E

L

L

R

R

V

V

K
|
K

E
|
E

S

S

D

D

R
|
R

L

L

A

S

A

A

M

V

V

A

D

N

G

G

L

L

V

K

A

L

C

N

G

G

A

V

I

D

A

C

H

D

A

E

R

G

G

E

D

T

T

S

L

L

T

V

V

V

L

R

G

G

L

R

P

P

K

D

V

G

R

K

G

G

-

L

-

G

-

N

-

A

-

S

G

G

A

A

T

A

I

V

K

A

T

T

H

H

M

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

S

F

F

L

L

V

V

L

M

G

G

L

L

A

V

T

S

E

E

E

N

P

P

V

V

T

T

V

V

D

D

A

A

S

T

M

M

I

I

A

A

T
|
T

S

S

F

F

P

P

E

E

F

F

R

M

T

D

L

L

M

M

Q

A

Q

G

V

L

G

G

A

A

T

K

L

I

D

E

active site: K23 (= K18), S24 (= S19), D50 (= D45), N93 (= N89), R123 (= R119), D321 (= D316), E349 (= E344), H399 (= H389), R400 (= R390), T426 (= T416)
binding glyphosate: K23 (= K18), A94 (≠ S90), A95 (≠ G91), T96 (= T92), R123 (= R119), D321 (= D316), E349 (= E344), R352 (= R347), R400 (= R390)
binding shikimate-3-phosphate: S24 (= S19), R28 (= R23), S168 (= S164), A169 (= A165), Q170 (= Q166), R195 (= R191), D321 (= D316), K348 (= K343)

2gg6A Cp4 epsp synthase liganded with s3p (see paper)
57% identity, 96% coverage: 2:433/448 of query aligns to 7:443/445 of 2gg6A

query
sites
2gg6A

S

A

R

R

K

K

S

S

G

S

R

G

L

L

Q

S

G

G

A

T

V

V

V

R

V

I

P

P

G

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

A

S

L

F

I

M

L

F

G

G

A

G

L

L

A

A

E

S

G

G

R

E

T

T

R

R

I

I

T

T

G

G

L

L

E

E

A

G

E

E

D
|
D

I

V

L

I

C

N

T

T

A

G

R

K

A

A

L

M

E

Q

A

A

L

M

G

G

A

A

G

R

V

I

E

R

R

K

D

E

A

G

D

D

G

-

A

T

W

W

T

I

V

I

T

D

G

G

R

V

G

G

L

N

G

G

L

L

A

L

A

A

P

P

A

E

G

A

D

P

L

L

D

D

F

F

G

G

N
|
N

S

A

G

A

T
|
T

G

G

A

C

R

R

L

L

M

T

M

M

G

G

V

L

V

V

A

G

G

V

H

Y

P

D

L

F

A

D

A

S

R

T

F

F

T

I

G

G

D

D

A

A

S

S

L

L

Q

T

K

K

R
|
R

P

P

M

M

G

G

R

R

V

V

L

L

A

N

P

P

L

L

Q

R

S

E

M

M

G

G

L

V

A

Q

I

V

E

K

E

S

E

E

G

D

R

G

N

D

T

R

L

L

P

P

L

V

T

T

L

L

V

R

G

G

T

P

G

K

D

T

L

P

V

T

P

P

I

I

S

T

Y

Y

R

R

L

V

P

P

V

M

P

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

A

A

V

V

L

L

A

A

G

G

L

L

F

N

A

T

S

P

G

G

E

I

T

T

S

T

V

V

I

I

E

E

S

P

E

I

K

M

S

T

R

R

D

D

H

H

T

T

E

E

K

K

M

M

L

L

R

Q

Y

G

F

F

G

G

A

A

E

N

I

L

S

T

V

V

E

E

P

T

F

D

E

A

G

D

G

G

L

V

R

R

-

T

I

I

A

R

L

L

E

E

G

G

R

R

R

G

T

K

L

L

Q

T

G

G

Q

Q

P

V

V

I

A

D

V

V

P

P

G

G

D

D

P

P

S

S

A

T

A

A

F

F

L

P

V

L

A

V

A

A

L

L

I

L

T

V

P

P

A

G

S

S

D

D

I

V

L

T

V

I

K

L

N

N

V

V

L

L

V

M

N

N

P

P

T

T

R

R

T

T

G

G

F

L

Y

I

E

L

T

T

L

L

A

Q

E

E

M

M

G

G

A

A

D

D

I

I

S

E

F

V

E

I

N

N

E

P

R

R

E

L

V

A

S

G

G

G

E

E

P

D

V

V

A

A

D

D

I

L

R

R

A

V

R

R

T

S

S

S

E

T

L

L

R

K

G

G

V

V

T

T

V

V

P

P

A

E

A

D

R

R

A

A

P

P

S

S

M

M

I

I

D
|
D

E

E

Y

Y

P

P

M

I

L

L

A

A

A

V

L

A

A

A

T

A

L

F

A

A

E

E

G

G

E

A

T

T

L

V

M

M

E

N

G

G

L

L

A

E

E

E

L

L

R

R

V

V

K
|
K

E
|
E

S

S

D

D

R

R

L

L

A

S

A

A

M

V

V

A

D

N

G

G

L

L

V

K

A

L

C

N

G

G

A

V

I

D

A

C

H

D

A

E

R

G

G

E

D

T

T

S

L

L

T

V

V

V

L

R

G

G

L

R

P

P

K

D

V

G

R

K

G

G

-

L

-

G

-

N

-

A

-

S

G

G

A

A

T

A

I

V

K

A

T

T

H

H

M

L

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

S

F

F

L

L

V

V

L

M

G

G

L

L

A

V

T

S

E

E

E

N

P

P

V

V

T

T

V

V

D

D

A

A

S

T

M

M

I

I

A

A

T
|
T

S

S

F

F

P

P

E

E

F

F

R

M

T

D

L

L

M

M

Q

A

Q

G

V

L

G

G

A

A

T

K

L

I

D

E

active site: K23 (= K18), S24 (= S19), D50 (= D45), N93 (= N89), R123 (= R119), D321 (= D316), E349 (= E344), H399 (= H389), R400 (= R390), T426 (= T416)
binding shikimate-3-phosphate: S24 (= S19), R28 (= R23), T96 (= T92), S168 (= S164), Q170 (= Q166), D321 (= D316), K348 (= K343)

3slhD 1.70 angstrom resolution structure of 3-phosphoshikimate 1- carboxyvinyltransferase (aroa) from coxiella burnetii in complex with shikimate-3-phosphate and glyphosate
44% identity, 95% coverage: 8:432/448 of query aligns to 13:431/440 of 3slhD

query
sites
3slhD

L

L

Q

S

G

G

A

E

V

I

V

C

V

V

P

P

G

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

A

A

L

V

I

L

L

L

G

A

A

A

L

I

A

A

E

E

G

G

R

Q

T

T

R

Q

I

V

T

D

G

G

L

F

L

L

E

M

A

G

E

A

D
|
D

I

N

L

L

C

A

T

M

A

V

R

S

A

A

L

L

E

Q

A

Q

L

M

G

G

A

A

G

S

V

I

E

Q

R

V

D

I

A

E

D

D

-

E

G

N

A

I

W

L

T

V

V

V

T

E

G

G

R

V

G

G

L

M

G

T

G

G

L

L

A

Q

A

A

P

P

A

P

G

E

D

A

L

L

D

D

F

C

G

G

N
|
N

S

S

G
|
G

T
|
T

G

A

A

I

R

R

L

L

M

L

M

S

G

G

V

L

A

A

G

G

H

Q

P

P

L

F

A

N

A

T

R

V

F

L

T

T

G

G

D

D

A

S

S

S

L

L

Q

Q

K

R

R
|
R

P

P

M

M

G

K

R

R

V

I

L

I

A

D

P

P

L

L

Q

T

S

L

M

M

G

G

L

A

A

K

I

I

E

D

E

S

E

T

G

G

R

-

N

N

T

V

L

P

P

P

L

L

T

K

L

I

V

Y

G

G

T

N

G

P

D

R

L

L

V

T

P

G

I

I

S

H

Y

Y

R

Q

L

L

P

P

V

M

P

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

A

C

V

L

L

L

A

A

G

G

L

L

F

Y

A

A

S

R

G

G

E

K

T

T

S

C

V

I

I

T

E

E

S

P

E

A

K

P

S

S

R
|
R

D

D

H

H

T

T

E

E

K

R

M

L

L

L

R

K

Y

H

F

F

G

H

A

Y

E

T

I

L

S

Q

V

K

E

D

P

K

F

Q

E

S

G

-

L

-

R

-

I

I

A

C

L

V

E

S

G

G

R

G

T

K

L

L

Q

K

G

A

Q

N

P

D

V

I

A

S

V

I

P

P

G

G

D

D

P

I

S

S

A

A

F

F

L

F

V

I

A

V

A

A

L

T

I

I

T

T

P

P

A

G

S

S

D

A

I

I

L

R

V

L

K

C

N

R

V

V

L

G

V

V

N

N

P

P

T

T

R

R

T

L

G

G

F

V

Y

I

E

N

T

L

L

L

A

K

E

M

M

M

G

G

A

A

D

D

I

I

S

E

F

V

E

T

N

H

E

Y

R

T

E

E

V

K

S

N

G

E

E

E

P

P

V

T

A

A

D

D

I

I

R

T

A

V

R

R

T

H

S

A

E

R

L

L

R

K

G

G

V

I

T

D

V

I

P

P

A

P

A

D

R

Q

A

V

P

P

S

L

M

T

I

I

D
|
D

E

E

Y

F

P

P

M

V

L

L

A

L

A

I

L

A

A

A

T

A

L

V

A

A

E

Q

G

G

E

K

T

T

L

V

M

L

E

R

G

D

L

A

A

A

E

E

L

L

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R

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V

K
|
K

E
|
E

S

T

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D

R
|
R

L

I

A

A

M

M

V

V

D

D

G

G

L

L

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Q

A

K

C

L

G

G

A

I

I

A

A

A

H

E

A

S

R

L

G

P

D

D

T

G

L

V

T

I

V

I

L

Q

G

G

L

-

P

-

K

G

V

T

R

L

G

E

G

G

A

G

T

E

I

V

K

N

T

S

H

Y

M

D

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

A

F

F

L

A

V

V

L

A

G

G

L

T

A

L

T

A

E

K

E

G

P

P

V

V

T

R

V

I

D

R

D

N

A

C

S

D

M

N

I

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A

K

T
|
T

S

S

F

F

P

P

E

N

F

F

R

V

T

E

L

L

M

A

Q

N

Q

E

V

V

G

G

A

M

T

N

L

V

active site: K23 (= K18), S24 (= S19), D50 (= D45), N95 (= N89), R125 (= R119), D317 (= D316), E345 (= E344), H388 (= H389), R389 (= R390), T415 (= T416)
binding glyphosate: K23 (= K18), G97 (= G91), T98 (= T92), R125 (= R119), Q171 (= Q166), D317 (= D316), E345 (= E344), R348 (= R347), H388 (= H389), R389 (= R390)
binding shikimate-3-phosphate: S24 (= S19), R28 (= R23), S169 (= S164), Q171 (= Q166), R196 (= R191), D317 (= D316), K344 (= K343)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S24 (= S19), R28 (= R23), T98 (= T92), Q171 (= Q166), R196 (= R191), D317 (= D316), K344 (= K343)

Q83E11 3-phosphoshikimate 1-carboxyvinyltransferase; 5-enolpyruvylshikimate-3-phosphate synthase; EPSP synthase; EPSPS; EC 2.5.1.19 from Coxiella burnetii (strain RSA 493 / Nine Mile phase I)
44% identity, 95% coverage: 8:432/448 of query aligns to 11:429/438 of Q83E11

query
sites
Q83E11

L

L

Q

S

G

G

A

E

V

I

V

C

V

V

P

P

G

G

D

D

K
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K

S
|
S

I

I

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S

H

H

R
|
R

A

A

L

V

I

L

L

L

G

A

A

A

L

I

A

A

E

E

G

G

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R

Q

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G

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F

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L

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M

A

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A

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D

I

N

L

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C

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M

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A

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A

Q

L

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G

A

A

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I

A

E

D

D

-

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A

I

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V

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E

G

G

R

V

G

G

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M

G

T

G

G

L

L

A

Q

A

A

P

P

A

P

G

E

D

A

L

L

D

D

F

C

G

G

N
|
N

S
|
S

G
|
G

T
|
T

G

A

A

I

R

R

L

L

M

L

M

S

G

G

V

L

A

A

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G

H

Q

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P

L

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A

N

A

T

R

V

F

L

T

T

G

G

D

D

A

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S

S

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Q

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R

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P

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M

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P

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L

M

M

G

G

L

A

A

K

I

I

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D

E

S

E

T

G

G

R

-

N

N

T

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L

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P

P

L

L

T

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L

I

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Y

G

G

T

N

G

P

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H

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Y

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L

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P

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S
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S

A
|
A

Q
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Q

V

V

K

K

S

S

A

C

V

L

L

L

A

A

G

G

L

L

F

Y

A

A

S

R

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C

V

I

I

T

E

E

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P

E

A

K

P

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S

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R

D

D

H

H

T

T

E

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M

L

L

L

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Y

H

F

F

G

H

A

Y

E

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I

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Q

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K

E

D

P

K

F

Q

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S

G

-

L

-

R

-

I

I

A

C

L

V

E

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G

G

R

G

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K

G

A

Q

N

P

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I

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P

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G

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D

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S

A

A

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D

A

I

I

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N

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T

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E

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D

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D

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F

P

P

M

V

L

L

A

L

A

I

L

A

A

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L

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A

A

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Q

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T

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V

M

L

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D

L

A

A

A

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E

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L

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R

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V

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|
K

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E

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D

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|
R

L

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A

A

M

M

V

V

D

D

G

G

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L

V

Q

A

K

C

L

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G

A

I

I

A

A

A

H

E

A

S

R

L

G

P

D

D

T

G

L

V

T

I

V

I

L

Q

G

G

L

-

P

-

K

G

V

T

R

L

G

E

G

G

A

G

T

E

I

V

K

N

T

S

H

Y

M

D

D

D

H

H

R
|
R

I

I

A

A

M

M

S

A

F

F

L

A

V

V

L

A

G

G

L

T

A

L

T

A

E

K

E

G

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P

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V

T

R

V

I

D

R

D

N

A

C

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D

M

N

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K

T

T

S

S

F

F

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P

E

N

F

F

R

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Q

N

Q

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G

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A

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N

L

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K21 (= K18) binding phosphoenolpyruvate
S22 (= S19) binding 3-phosphoshikimate
R26 (= R23) binding 3-phosphoshikimate
NSGT 93:96 (= NSGT 89:92) Phosphoenolpyruvate
G95 (= G91) binding phosphoenolpyruvate
T96 (= T92) binding phosphoenolpyruvate
R123 (= R119) binding phosphoenolpyruvate
S167 (= S164) binding 3-phosphoshikimate
A168 (= A165) binding 3-phosphoshikimate
Q169 (= Q166) binding 3-phosphoshikimate; binding phosphoenolpyruvate
D315 (= D316) binding 3-phosphoshikimate
K342 (= K343) binding 3-phosphoshikimate
R346 (= R347) binding phosphoenolpyruvate
R387 (= R390) binding phosphoenolpyruvate

4egrA 2.50 angstrom resolution structure of 3-phosphoshikimate 1- carboxyvinyltransferase (aroa) from coxiella burnetii in complex with phosphoenolpyruvate
44% identity, 95% coverage: 8:432/448 of query aligns to 13:427/434 of 4egrA

query
sites
4egrA

L

L

Q

S

G

G

A

E

V

I

V

C

V

V

P

P

G

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R

R

A

A

L

V

I

L

L

L

G

A

A

A

L

I

A

A

E

E

G

G

R

Q

T

T

R

Q

I

V

T

D

G

G

L

F

L

L

E

M

A

G

E

A

D
|
D

I

N

L

L

C

A

T

M

A

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A

A

L

L

E

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A

Q

L

M

G

G

A

A

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E

Q

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V

D

I

A

E

D

D

-

E

G

N

A

I

W

L

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V

V

V

T

E

G

G

R

V

G

G

L

M

G

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G

G

L

L

A

Q

A

A

P

P

A

P

G

E

D

A

L

L

D

D

F

C

G

G

N
|
N

S

S

G
|
G

T
|
T

G

A

A

I

R

R

L

L

M

L

M

S

G

G

V

L

A

A

G

G

H

Q

P

P

L

F

A

N

A

T

R

V

F

L

T

T

G

G

D

D

A

S

S

S

L

L

Q

Q

K

R

R
|
R

P

P

M

M

G

K

R

R

V

I

L

I

A

D

P

P

L

L

Q

T

S

L

M

M

G

G

L

A

A

K

I

I

E

D

E

S

E

T

G

G

R

-

N

N

T

V

L

P

P

P

L

L

T

K

L

I

V

Y

G

G

T

N

G

P

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R

L

L

V

T

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G

I

I

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H

Y

Y

R

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L

L

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V

M

P

A

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A

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Q

V

V

K

K

S

S

A

C

V

L

L

L

A

A

G

G

L

L

F

Y

A

A

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K

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E

A

K

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S

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R

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D

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M

L

L

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K

Y

H

F

F

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H

A

Y

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I

L

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K

E

Q

P

-

F

-

E

-

G

-

L

-

R

S

I

I

A

C

L

V

E

S

G

G

R

G

T

K

L

L

Q

K

G

A

Q

N

P

D

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A

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I

P

P

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G

D

D

P

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S

A

A

F

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L

F

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I

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A

A

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P

A

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D

A

I

I

L

R

V

L

K

C

N

R

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V

L

G

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V

N

N

P

P

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T

R

R

T

L

G

G

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V

Y

I

E

N

T

L

L

L

A

K

E

M

M

M

G

G

A

A

D

D

I

I

S

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F

V

E

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N

H

E

Y

R

T

E

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-

S

-

G

K

E

E

P

P

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A

A

D

D

I

I

R

T

A

V

R

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L

L

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G

G

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V

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P

A

P

A

D

R

Q

A

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P

S

L

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T

I

I

D
|
D

E

E

Y

F

P

P

M

V

L

L

A

L

A

I

L

A

A

A

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A

L

V

A

A

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Q

G

G

E

K

T

T

L

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L

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R

G

D

L

A

A

A

E

E

L

L

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R

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V

K

K

E
|
E

S

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D

D

R
|
R

L

I

A

A

M

M

V

V

D

D

G

G

L

L

V

Q

A

K

C

L

G

G

A

I

I

A

A

A

H

E

A

S

R

L

G

P

D

D

T

G

L

V

T

I

V

I

L

Q

G

G

L

-

P

-

K

G

V

T

R

L

G

E

G

G

A

G

T

E

I

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K

N

T

S

H

Y

M

D

D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

A

F

F

L

A

V

V

L

A

G

G

L

T

A

L

T

A

E

K

E

G

P

P

V

V

T

R

V

I

D

R

D

N

A

C

S

D

M

N

I

V

A

K

T
|
T

S

S

F

F

P

P

E

N

F

F

R

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T

E

L

L

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A

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Q

E

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G

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M

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L

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active site: K23 (= K18), S24 (= S19), D50 (= D45), N95 (= N89), R125 (= R119), D313 (= D316), E341 (= E344), H384 (= H389), R385 (= R390), T411 (= T416)
binding phosphoenolpyruvate: K23 (= K18), G97 (= G91), T98 (= T92), R125 (= R119), D313 (= D316), E341 (= E344), R344 (= R347), R385 (= R390)

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)
43% identity, 93% coverage: 7:421/448 of query aligns to 9:417/427 of Q9S400

query
sites
Q9S400

R

H

L

L

Q

H

G

G

A

S

V

I

V

R

V

V

P

P

G

G

D

D

K

K

S
|
S

I

I

S

S

H

H

R
|
R

A

S

L

I

I

I

L

F

G

G

A

S

L

L

A

A

E

E

G

G

R

E

T

T

R

K

I

V

T

Y

G

D

L

I

L

L

E

R

A

G

E

E

D

D

I

V

L

L

C

S

T

T

A

M

R

Q

A

V

L

F

E

R

A

D

L

L

G

G

A

V

G

E

V

I

E

E

R

-

D

D

A

K

D

D

G

G

A

V

W

I

T

T

V

I

T

Q

G

G

R

V

G

G

L

M

G

A

G

G

L

L

A

K

A

A

P

P

A

Q

G

N

D

A

L

L

D

N

F

M

G

G

N

N

S

S

G

G

T

T

G

S

A

I

R

R

L

L

M

I

M

S

G

G

V

V

V

L

A

A

G

G

H

A

P

D

L

F

A

E

A

V

R

E

F

M

T

F

G

G

D

D

A

D

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S

L

L

Q

S

K

K

R

R

P

P

M

M

G

D

R

R

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V

L

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A

L

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P

L

L

Q

K

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K

M

M

G

G

L

V

A

S

I

I

E

S

-

G

E

Q

E

T

G

E

R

R

N

D

T

L

L

P

P

P

L

L

T

R

L

L

V

K

G

G

T

T

G

K

D

N

L

L

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R

P

P

I

I

S

H

Y

Y

R

E

L

L

P

P

V

I

P

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

A

A

V

L

L

M

L

F

A

A

G

A

L

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F

Q

A

A

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K

G

G

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E

T

S

S

V

V

I

I

I

E

E

S

K

E

E

K

Y

S

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R

R

D

N

H

H

T

T

E

E

K

D

M

M

L

L

R

K

Y

Q

F

F

G

G

A

G

E

H

I

L

S

S

V

V

E

D

P

-

F

-

E

-

G

-

G

G

L

K

R

K

I

I

A

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L

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E

Q

G

G

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R

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K

L

L

Q

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G

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Q

P

K

V

V

A

V

V

V

P

P

G

G

D

D

P

I

S

S

A

A

F

F

L

W

V

L

A

V

A

A

A

G

L

L

I

I

T

A

P

P

A

N

S

S

D

R

I

L

L

V

V

L

K

Q

N

N

V

V

L

G

V

I

N

N

P

E

T

T

R

R

T

T

G

G

F

I

Y

I

E

D

T

V

L

I

A

R

E

A

M

M

G

G

A

G

D

K

I

L

S

E

F

I

E

T

N

E

E

I

R

D

E

P

V

V

S

A

G

K

E

S

P

-

V

-

A

A

D

T

I

L

R

I

A

V

R

E

T

S

S

S

E

D

L

L

R

K

G

G

V

T

T

E

V

I

P

G

A

G

A

A

R

L

A

I

P

P

S

R

M

L

I

I

D
|
D

E

E

Y

L

P

P

M

I

L

I

A

A

A

L

L

L

A

A

T

T

L

Q

A

A

E

Q

G

G

E

V

T

T

L

V

M

I

E

K

G

D

L

A

A

E

E

E

L

L

R

K

V

V

K
|
K

E

E

S

T

D

D

R

R

L

I

A

Q

A

V

M

V

V

A

D

D

G

A

L

L

V

N

A

S

C

M

G

G

A

A

I

D

A

I

H

T

A

P

R

T

G

A

D

D

T

G

L

M

T

I

V

I

L

K

G

G

L

K

P

S

K

A

V

L

R

H

G

-

G

G

A

A

T

R

I

V

K

N

T

T

H

F

M

G

D

D

H

H

R

R

I

I

A

G

M

M

S

M

F

T

L

A

V

I

L

A

G

A

L

L

A

L

T

V

E

A

E

D

-

G

P

E

V

V

T

E

V

L

D

D

D

R

A

A

S

E

M

A

I

I

A

N

T

T

S

S

F

Y

P

P

E

S

F

F

S21 (= S19) binding 3-phosphoshikimate
R25 (= R23) binding 3-phosphoshikimate
S166 (= S164) binding 3-phosphoshikimate
A167 (= A165) binding 3-phosphoshikimate
Q168 (= Q166) binding 3-phosphoshikimate
D312 (= D316) binding 3-phosphoshikimate
K339 (= K343) binding 3-phosphoshikimate

1rf6A Structural studies of streptococcus pneumoniae epsp synthase in s3p- glp bound state (see paper)
43% identity, 93% coverage: 7:421/448 of query aligns to 9:417/427 of 1rf6A

query
sites
1rf6A

R

H

L

L

Q

H

G

G

A

I

V

I

V

R

V

V

P

P

G

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

A

S

L

I

I

I

L

F

G

G

A

S

L

L

A

A

E

E

G

G

R

E

T

T

R

K

I

V

T

Y

G

D

L

I

L

L

E

R

A

G

E

E

D
|
D

I

V

L

L

C

S

T

T

A

M

R

Q

A

V

L

F

E

R

A

D

L

L

G

G

A

V

G

E

V

I

E

E

R

-

D

D

A

K

D

D

G

G

A

V

W

I

T

T

V

V

T

Q

G

G

R

V

G

G

L

M

G

A

G

G

L

L

A

K

A

A

P

P

A

Q

G

N

D

A

L

L

D

N

F

M

G

G

N
|
N

S

S

G
|
G

T
|
T

G

S

A

I

R

R

L

L

M

I

M

S

G

G

V

V

V

L

A

A

G

G

H

A

P

D

L

F

A

E

A

V

R

E

F

M

T

F

G

G

D

D

A
x
D

S

S

L

L

Q

S

K

K

R
|
R

P

P

M

M

G

D

R

R

V

V

L

T

A

L

P

P

L

L

Q

K

S

K

M

M

G

G

L

V

A

S

I

I

E

S

-

G

E

Q

E

T

G

E

R

R

N

D

T

L

L

P

P

P

L

L

T

R

L

L

V

K

G

G

T

T

G

K

D

N

L

L

V

R

P

P

I

I

S

H

Y

Y

R

E

L

L

P

P

V

I

P

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

A

A

V

L

L

M

L

F

A

A

G

A

L

L

F

Q

A

A

S

K

G

G

E

E

T

S

S

V

V

I

I

I

E

E

S

K

E

E

K

Y

S

T

R
|
R

D

N

H

H

T

T

E

E

K

D

M

M

L

L

R

Q

Y

Q

F

F

G

G

A

G

E

H

I

L

S

S

V

V

E

D

P

-

F

-

E

-

G

-

G

G

L

K

R

K

I

I

A

T

L

V

E

Q

G

G

R

P

R

Q

T

K

L

L

Q

T

G

G

Q

Q

P

K

V

V

A

V

V

V

P

P

G

G

D

D

P

I

S

S

A

A

F

F

L

W

V

L

A

V

A

A

A

G

L

L

I

I

T

A

P

P

A

N

S

S

D

R

I

L

L

V

V

L

K

Q

N

N

V

V

L

G

V

I

N

N

P

E

T

T

R

R

T

T

G

G

F

I

Y

I

E

D

T

V

L

I

A

R

E

A

M

M

G

G

A

G

D

K

I

L

S

E

F

I

E

T

N

E

E

I

R

D

E

P

V

V

S

A

G

K

E

S

P

-

V

-

A

A

D

T

I

L

R

I

A

V

R

E

T

S

S

S

E

D

L

L

R

K

G

G

V

T

T

E

V

I

P

C

A

G

A

A

R

L

A

I

P

P

S

R

M

L

I
|
I

D
|
D

E

E

Y

L

P

P

M

I

L

I

A

A

A

L

L

L

A

A

T

T

L

Q

A

A

E

Q

G

G

E

V

T

T

L

V

M

I

E

K

G

D

L

A

A

E

E

E

L

L

R

K

V

V

K
|
K

E
|
E

S

T

D

D

R
|
R

L

I

A

Q

A

V

M

V

V

A

D

D

G

A

L

L

V

N

A

S

C

M

G

G

A

A

I

D

A

I

H

T

A

P

R

T

G

A

D

D

T

G

L

M

T

I

V

I

L

K

G

G

L

K

P

S

K

A

V

L

R

H

G

-

G

G

A

A

T

R

I

V

K

N

T

T

H

F

M

G

D

D

H
|
H

R
|
R

I

I

A

G

M

M

S

M

F

T

L

A

V

I

L

A

G

A

L

L

A

L

T

V

E

A

E

D

-

G

P

E

V

V

T

E

V

L

D

D

D

R

A

A

S

E

M

A

I

I

A

N

T
|
T

S

S

F

Y

P

P

E

S

F

F

active site: K20 (= K18), S21 (= S19), D47 (= D45), N90 (= N89), D115 (≠ A114), R120 (= R119), D312 (= D316), E340 (= E344), H384 (= H389), R385 (= R390), T412 (= T416)
binding glyphosate: K20 (= K18), G92 (= G91), T93 (= T92), R120 (= R119), Q168 (= Q166), D312 (= D316), E340 (= E344), R343 (= R347), H384 (= H389), R385 (= R390)
binding shikimate-3-phosphate: S21 (= S19), R25 (= R23), S166 (= S164), Q168 (= Q166), R193 (= R191), I311 (= I315), D312 (= D316), K339 (= K343)

1rf4A Structural studies of streptococcus pneumoniae epsp synthase, tetrahedral intermediate bound state (see paper)
43% identity, 93% coverage: 7:421/448 of query aligns to 9:417/427 of 1rf4A

query
sites
1rf4A

R

H

L

L

Q

H

G

G

A

I

V

I

V

R

V

V

P

P

G

G

D

D

K
|
K

S
|
S

I

I

S

S

H

H

R
|
R

A

S

L

I

I

I

L

F

G

G

A

S

L

L

A

A

E

E

G

G

R

E

T

T

R

K

I

V

T

Y

G

D

L

I

L

L

E

R

A

G

E

E

D
|
D

I

V

L

L

C

S

T

T

A

M

R

Q

A

V

L

F

E

R

A

D

L

L

G

G

A

V

G

E

V

I

E

E

R

-

D

D

A

K

D

D

G

G

A

V

W

I

T

T

V

V

T

Q

G

G

R

V

G

G

L

M

G

A

G

G

L

L

A

K

A

A

P

P

A

Q

G

N

D

A