SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing N515DRAFT_1432 FitnessBrowser__Dyella79:N515DRAFT_1432 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)

Q83E11 3-phosphoshikimate 1-carboxyvinyltransferase; 5-enolpyruvylshikimate-3-phosphate synthase; EPSP synthase; EPSPS; EC 2.5.1.19 from Coxiella burnetii (strain RSA 493 / Nine Mile phase I)
53% identity, 99% coverage: 4:431/434 of query aligns to 1:429/438 of Q83E11

query
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K21 (= K24) binding phosphoenolpyruvate
S22 (= S25) binding 3-phosphoshikimate
R26 (= R29) binding 3-phosphoshikimate
NSGT 93:96 (≠ NAGT 95:98) Phosphoenolpyruvate
G95 (= G97) binding phosphoenolpyruvate
T96 (= T98) binding phosphoenolpyruvate
R123 (= R125) binding phosphoenolpyruvate
S167 (= S169) binding 3-phosphoshikimate
A168 (= A170) binding 3-phosphoshikimate
Q169 (= Q171) binding 3-phosphoshikimate; binding phosphoenolpyruvate
D315 (= D317) binding 3-phosphoshikimate
K342 (= K344) binding 3-phosphoshikimate
R346 (= R348) binding phosphoenolpyruvate
R387 (= R389) binding phosphoenolpyruvate

3slhD 1.70 angstrom resolution structure of 3-phosphoshikimate 1- carboxyvinyltransferase (aroa) from coxiella burnetii in complex with shikimate-3-phosphate and glyphosate
53% identity, 99% coverage: 4:431/434 of query aligns to 3:431/440 of 3slhD

query
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3slhD

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active site: K23 (= K24), S24 (= S25), D50 (= D51), N95 (= N95), R125 (= R125), D317 (= D317), E345 (= E345), H388 (= H388), R389 (= R389), T415 (= T415)
binding glyphosate: K23 (= K24), G97 (= G97), T98 (= T98), R125 (= R125), Q171 (= Q171), D317 (= D317), E345 (= E345), R348 (= R348), H388 (= H388), R389 (= R389)
binding shikimate-3-phosphate: S24 (= S25), R28 (= R29), S169 (= S169), Q171 (= Q171), R196 (= R196), D317 (= D317), K344 (= K344)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S24 (= S25), R28 (= R29), T98 (= T98), Q171 (= Q171), R196 (= R196), D317 (= D317), K344 (= K344)

4egrA 2.50 angstrom resolution structure of 3-phosphoshikimate 1- carboxyvinyltransferase (aroa) from coxiella burnetii in complex with phosphoenolpyruvate
53% identity, 99% coverage: 4:431/434 of query aligns to 3:427/434 of 4egrA

query
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D

D

H
|
H

R
|
R

I

I

A

A

M

M

S

A

F

F

A

A

V

V

A

A

G

G

L

T

V

L

A

A

Q

K

E

G

P

P

I

V

R

R

I

I

A

R

D

N

C

C

A

D

N

N

V

V

A

K

T
|
T

S

S

F

F

P

P

G

N

F

F

M

V

E

E

L

L

A

A

N

N

G

E

C

V

G

G

F

M

D

N

L

V

active site: K23 (= K24), S24 (= S25), D50 (= D51), N95 (= N95), R125 (= R125), D313 (= D317), E341 (= E345), H384 (= H388), R385 (= R389), T411 (= T415)
binding phosphoenolpyruvate: K23 (= K24), G97 (= G97), T98 (= T98), R125 (= R125), D313 (= D317), E341 (= E345), R344 (= R348), R385 (= R389)

2pqcA Cp4 epsps liganded with (r)-phosphonate tetrahedral reaction intermediate analog (see paper)
48% identity, 97% coverage: 8:428/434 of query aligns to 2:439/445 of 2pqcA

query
sites
2pqcA

S

S

Q

R

P

P

A

A

R

T

A

A

-

R

-

K

-

S

-

G

L

L

H

S

G

G

N

T

V

V

R

R

V

I

P

P

G

G

D

D

K
|
K

S
|
S

V

I

S

S

H

H

R
|
R

S

S

M

F

M

M

L

F

S

G

A

G

L

L

A

A

E

S

G

G

R

E

S

T

H

R

I

I

R

T

G

G

F

L

L

L

E

E

G

G

E

E

D
|
D

T

V

R

I

A

N

T

T

A

G

A

K

V

A

L

M

Q

Q

K

A

L

M

G

G

V

A

R

R

I

I

E

R

T

-

P

-

S

K

E

E

G

G

E

D

R

T

-

W

I

I

V

I

D

D

G

G

V

V

G

G

L

N

H

G

G

G

L

L

R

L

G

A

T

P

A

E

Q

A

A

P

L

L

D

D

C

F

G

G

N
|
N

A

A

G

A

T
|
T

G

G

M

C

R

R

L

L

L

T

A

M

G

G

L

L

L

V

A

G

G

V

Q

Y

A

D

F

F

D

D

S

S

T

T

L

F

V

I

G

G

D

D

E

A

S

S

L

L

S

T

K

K

R
|
R

P

P

M

M

R

G

R

R

V

V

T

L

E

N

P

P

L

L

A

R

A

E

M

M

G

G

A

V

R

Q

I

V

D

K

T

S

Q

E

D

D

G

G

-

D

L

R

P

L

P

P

L

V

R

T

V

L

H

R

G

G

G

P

Q

K

P

T

L

P

K

T

G

P

I

I

R

T

Y

Y

T

R

L

V

P

P

V

M

A

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

A

A

L

V

L

L

A

A

G

G

L

L

Y

N

A

T

Q

P

G

G

E

I

T

T

E

T

V

V

I

I

E

E

P

P

H

I

P

M

T

T

R

R

D

D

Y

H

T

T

E

E

R

K

M

M

L

L

A

Q

A

G

F

F

G

G

W

A

P

N

I

L

E

T

F

V

E

E

P

T

G

D

-

A

-

D

-

G

-

V

-

R

R

T

A

I

R

R

L

L

S

E

G

G

G

R

H

G

R

K

L

L

R

T

A

G

T

Q

D

V

V

I

E

D

V

V

P

P

A

G

D

D

F

P

S

S

A

T

A

A

F

F

F

P

L

L

V

V

A

A

G

A

S

L

I

L

V

V

P

P

G

G

A

S

E

D

L

V

R

T

L

I

P

L

A

N

V

V

G

L

L

M

N

N

P

P

R

T

R

R

T

T

G

G

L

L

L

I

Q

L

A

T

L

L

R

Q

L

E

M

M

G

G

A

A

D

D

I

I

A

E

V

V

E

I

N

N

Q

P

R

R

E

L

S

A

G

G

E

E

P

D

V

V

G

A

D

D

L

L

I

R

V

V

R

R

H

S

A

S

P

T

L

L

H

K

G

G

V

V

E

T

L

V

P

P

E

E

A

D

L

R

V

A

P

P

D

S

M

M

I

I

D
|
D

E

E

F

Y

P

P

A

I

L

L

F

A

I

V

A

A

V

F

A

A

Q

E

G

G

R

A

T

T

V

V

V

M

R

N

G

G

A

L

A

E

E

E

L

L

R

R

V

V

K
|
K

E
|
E

S

S

D

D

R
|
R

I

L

A

S

T

A

M

V

A

A

A

N

G

G

M

L

K

K

A

L

I

N

G

G

A

V

R

D

I

C

E

D

E

E

T

G

P

E

D

T

G

S

A

L

I

V

E

R

G

G

-

R

-

P

-

D

-

G

-

K

-

G

-

L

G

G

A

N

L

A

R

S

G

G

G

A

E

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

A

L

V

V

A

M

G

G

L

L

V

V

A

S

Q

E

E

N

P

P

I

V

R

T

I

V

A

D

D

D

C

A

A

T

N

M

V

I

A

A

T
|
T

S

S

F

F

P

P

G

E

F

F

M

M

E

D

L

L

A

M

N

A

G

G

C

L

G

G

active site: K23 (= K24), S24 (= S25), D50 (= D51), N93 (= N95), R123 (= R125), D321 (= D317), E349 (= E345), H399 (= H388), R400 (= R389), T426 (= T415)
binding [3r-[3a,4a,5b(r*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid: K23 (= K24), S24 (= S25), R28 (= R29), T96 (= T98), R123 (= R125), S168 (= S169), Q170 (= Q171), D321 (= D317), K348 (= K344), E349 (= E345), R352 (= R348), R400 (= R389)

2pqbA Cp4 epsps liganded with (r)-difluoromethyl tetrahedral intermediate analog (see paper)
48% identity, 97% coverage: 8:428/434 of query aligns to 2:439/445 of 2pqbA

query
sites
2pqbA

S

S

Q

R

P

P

A

A

R

T

A

A

-

R

-

K

-

S

-

G

L

L

H

S

G

G

N

T

V

V

R

R

V

I

P

P

G

G

D

D

K
|
K

S
|
S

V

I

S

S

H

H

R
|
R

S

S

M

F

M

M

L

F

S

G

A

G

L

L

A

A

E

S

G

G

R

E

S

T

H

R

I

I

R

T

G

G

F

L

L

L

E

E

G

G

E

E

D
|
D

T

V

R

I

A

N

T

T

A

G

A

K

V

A

L

M

Q

Q

K

A

L

M

G

G

V

A

R

R

I

I

E

R

T

-

P

-

S

K

E

E

G

G

E

D

R

T

-

W

I

I

V

I

D

D

G

G

V

V

G

G

L

N

H

G

G

G

L

L

R

L

G

A

T

P

A

E

Q

A

A

P

L

L

D

D

C

F

G

G

N
|
N

A

A

G
x
A

T
|
T

G

G

M

C

R

R

L

L

L

T

A

M

G

G

L

L

L

V

A

G

G

V

Q

Y

A

D

F

F

D

D

S

S

T

T

L

F

V

I

G

G

D

D

E

A

S

S

L

L

S

T

K

K

R
|
R

P

P

M

M

R

G

R

R

V

V

T

L

E

N

P

P

L

L

A

R

A

E

M

M

G

G

A

V

R

Q

I

V

D

K

T

S

Q

E

D

D

G

G

-

D

L

R

P

L

P

P

L

V

R

T

V

L

H

R

G

G

G

P

Q

K

P

T

L

P

K

T

G

P

I

I

R

T

Y

Y

T

R

L

V

P

P

V

M

A

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

A

A

L

V

L

L

A

A

G

G

L

L

Y

N

A

T

Q

P

G

G

E

I

T

T

E

T

V

V

I

I

E

E

P

P

H

I

P

M

T

T

R

R

D

D

Y

H

T

T

E

E

R

K

M

M

L

L

A

Q

A

G

F

F

G

G

W

A

P

N

I

L

E

T

F

V

E

E

P

T

G

D

-

A

-

D

-

G

-

V

-

R

R

T

A

I

R

R

L

L

S

E

G

G

G

R

H

G

R

K

L

L

R

T

A

G

T

Q

D

V

V

I

E

D

V

V

P

P

A

G

D

D

F

P

S

S

A

T

A

A

F

F

F

P

L

L

V

V

A

A

G

A

S

L

I

L

V

V

P

P

G

G

A

S

E

D

L

V

R

T

L

I

P

L

A

N

V

V

G

L

L

M

N

N

P

P

R

T

R

R

T

T

G

G

L

L

L

I

Q

L

A

T

L

L

R

Q

L

E

M

M

G

G

A

A

D

D

I

I

A

E

V

V

E

I

N

N

Q

P

R

R

E

L

S

A

G

G

E

E

P

D

V

V

G

A

D

D

L

L

I

R

V

V

R

R

H

S

A

S

P

T

L

L

H

K

G

G

V

V

E

T

L

V

P

P

E

E

A

D

L

R

V

A

P

P

D

S

M

M

I

I

D
|
D

E

E

F

Y

P

P

A

I

L

L

F

A

I

V

A

A

V

F

A

A

Q

E

G

G

R

A

T

T

V

V

V

M

R

N

G

G

A

L

A

E

E

E

L

L

R

R

V

V

K
|
K

E
|
E

S

S

D

D

R
|
R

I

L

A

S

T

A

M

V

A

A

A

N

G

G

M

L

K

K

A

L

I

N

G

G

A

V

R

D

I

C

E

D

E

E

T

G

P

E

D

T

G

S

A

L

I

V

E

R

G

G

-

R

-

P

-

D

-

G

-

K

-

G

-

L

G

G

A

N

L

A

R

S

G

G

G

A

E

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

A

L

V

V

A

M

G

G

L

L

V

V

A

S

Q

E

E

N

P

P

I

V

R

T

I

V

A

D

D

D

C

A

A

T

N

M

V

I

A

A

T
|
T

S

S

F

F

P

P

G

E

F

F

M

M

E

D

L

L

A

M

N

A

G

G

C

L

G

G

active site: K23 (= K24), S24 (= S25), D50 (= D51), N93 (= N95), R123 (= R125), D321 (= D317), E349 (= E345), H399 (= H388), R400 (= R389), T426 (= T415)
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 (= K24), S24 (= S25), R28 (= R29), A95 (≠ G97), T96 (= T98), R123 (= R125), S168 (= S169), Q170 (= Q171), D321 (= D317), K348 (= K344), E349 (= E345), R352 (= R348), R400 (= R389)

2ggaA Cp4 epsp synthase liganded with s3p and glyphosate (see paper)
48% identity, 97% coverage: 8:428/434 of query aligns to 2:439/445 of 2ggaA

query
sites
2ggaA

S

S

Q

R

P

P

A

A

R

T

A

A

-

R

-

K

-

S

-

G

L

L

H

S

G

G

N

T

V

V

R

R

V

I

P

P

G

G

D

D

K
|
K

S
|
S

V

I

S

S

H

H

R
|
R

S

S

M

F

M

M

L

F

S

G

A

G

L

L

A

A

E

S

G

G

R

E

S

T

H

R

I

I

R

T

G

G

F

L

L

L

E

E

G

G

E

E

D
|
D

T

V

R

I

A

N

T

T

A

G

A

K

V

A

L

M

Q

Q

K

A

L

M

G

G

V

A

R

R

I

I

E

R

T

-

P

-

S

K

E

E

G

G

E

D

R

T

-

W

I

I

V

I

D

D

G

G

V

V

G

G

L

N

H

G

G

G

L

L

R

L

G

A

T

P

A

E

Q

A

A

P

L

L

D

D

C

F

G

G

N
|
N

A
|
A

G
x
A

T
|
T

G

G

M

C

R

R

L

L

L

T

A

M

G

G

L

L

L

V

A

G

G

V

Q

Y

A

D

F

F

D

D

S

S

T

T

L

F

V

I

G

G

D

D

E

A

S

S

L

L

S

T

K

K

R
|
R

P

P

M

M

R

G

R

R

V

V

T

L

E

N

P

P

L

L

A

R

A

E

M

M

G

G

A

V

R

Q

I

V

D

K

T

S

Q

E

D

D

G

G

-

D

L

R

P

L

P

P

L

V

R

T

V

L

H

R

G

G

G

P

Q

K

P

T

L

P

K

T

G

P

I

I

R

T

Y

Y

T

R

L

V

P

P

V

M

A

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

A

A

L

V

L

L

A

A

G

G

L

L

Y

N

A

T

Q

P

G

G

E

I

T

T

E

T

V

V

I

I

E

E

P

P

H

I

P

M

T

T

R
|
R

D

D

Y

H

T

T

E

E

R

K

M

M

L

L

A

Q

A

G

F

F

G

G

W

A

P

N

I

L

E

T

F

V

E

E

P

T

G

D

-

A

-

D

-

G

-

V

-

R

R

T

A

I

R

R

L

L

S

E

G

G

G

R

H

G

R

K

L

L

R

T

A

G

T

Q

D

V

V

I

E

D

V

V

P

P

A

G

D

D

F

P

S

S

A

T

A

A

F

F

F

P

L

L

V

V

A

A

G

A

S

L

I

L

V

V

P

P

G

G

A

S

E

D

L

V

R

T

L

I

P

L

A

N

V

V

G

L

L

M

N

N

P

P

R

T

R

R

T

T

G

G

L

L

L

I

Q

L

A

T

L

L

R

Q

L

E

M

M

G

G

A

A

D

D

I

I

A

E

V

V

E

I

N

N

Q

P

R

R

E

L

S

A

G

G

E

E

P

D

V

V

G

A

D

D

L

L

I

R

V

V

R

R

H

S

A

S

P

T

L

L

H

K

G

G

V

V

E

T

L

V

P

P

E

E

A

D

L

R

V

A

P

P

D

S

M

M

I

I

D
|
D

E

E

F

Y

P

P

A

I

L

L

F

A

I

V

A

A

V

F

A

A

Q

E

G

G

R

A

T

T

V

V

V

M

R

N

G

G

A

L

A

E

E

E

L

L

R

R

V

V

K
|
K

E
|
E

S

S

D

D

R
|
R

I

L

A

S

T

A

M

V

A

A

A

N

G

G

M

L

K

K

A

L

I

N

G

G

A

V

R

D

I

C

E

D

E

E

T

G

P

E

D

T

G

S

A

L

I

V

E

R

G

G

-

R

-

P

-

D

-

G

-

K

-

G

-

L

G

G

A

N

L

A

R

S

G

G

G

A

E

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

A

L

V

V

A

M

G

G

L

L

V

V

A

S

Q

E

E

N

P

P

I

V

R

T

I

V

A

D

D

D

C

A

A

T

N

M

V

I

A

A

T
|
T

S

S

F

F

P

P

G

E

F

F

M

M

E

D

L

L

A

M

N

A

G

G

C

L

G

G

active site: K23 (= K24), S24 (= S25), D50 (= D51), N93 (= N95), R123 (= R125), D321 (= D317), E349 (= E345), H399 (= H388), R400 (= R389), T426 (= T415)
binding glyphosate: K23 (= K24), A94 (= A96), A95 (≠ G97), T96 (= T98), R123 (= R125), D321 (= D317), E349 (= E345), R352 (= R348), R400 (= R389)
binding shikimate-3-phosphate: S24 (= S25), R28 (= R29), S168 (= S169), A169 (= A170), Q170 (= Q171), R195 (= R196), D321 (= D317), K348 (= K344)

2gg6A Cp4 epsp synthase liganded with s3p (see paper)
48% identity, 97% coverage: 8:428/434 of query aligns to 2:439/445 of 2gg6A

query
sites
2gg6A

S

S

Q

R

P

P

A

A

R

T

A

A

-

R

-

K

-

S

-

G

L

L

H

S

G

G

N

T

V

V

R

R

V

I

P

P

G

G

D

D

K
|
K

S
|
S

V

I

S

S

H

H

R
|
R

S

S

M

F

M

M

L

F

S

G

A

G

L

L

A

A

E

S

G

G

R

E

S

T

H

R

I

I

R

T

G

G

F

L

L

L

E

E

G

G

E

E

D
|
D

T

V

R

I

A

N

T

T

A

G

A

K

V

A

L

M

Q

Q

K

A

L

M

G

G

V

A

R

R

I

I

E

R

T

-

P

-

S

K

E

E

G

G

E

D

R

T

-

W

I

I

V

I

D

D

G

G

V

V

G

G

L

N

H

G

G

G

L

L

R

L

G

A

T

P

A

E

Q

A

A

P

L

L

D

D

C

F

G

G

N
|
N

A

A

G

A

T
|
T

G

G

M

C

R

R

L

L

L

T

A

M

G

G

L

L

L

V

A

G

G

V

Q

Y

A

D

F

F

D

D

S

S

T

T

L

F

V

I

G

G

D

D

E

A

S

S

L

L

S

T

K

K

R
|
R

P

P

M

M

R

G

R

R

V

V

T

L

E

N

P

P

L

L

A

R

A

E

M

M

G

G

A

V

R

Q

I

V

D

K

T

S

Q

E

D

D

G

G

-

D

L

R

P

L

P

P

L

V

R

T

V

L

H

R

G

G

G

P

Q

K

P

T

L

P

K

T

G

P

I

I

R

T

Y

Y

T

R

L

V

P

P

V

M

A

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

A

A

L

V

L

L

A

A

G

G

L

L

Y

N

A

T

Q

P

G

G

E

I

T

T

E

T

V

V

I

I

E

E

P

P

H

I

P

M

T

T

R

R

D

D

Y

H

T

T

E

E

R

K

M

M

L

L

A

Q

A

G

F

F

G

G

W

A

P

N

I

L

E

T

F

V

E

E

P

T

G

D

-

A

-

D

-

G

-

V

-

R

R

T

A

I

R

R

L

L

S

E

G

G

G

R

H

G

R

K

L

L

R

T

A

G

T

Q

D

V

V

I

E

D

V

V

P

P

A

G

D

D

F

P

S

S

A

T

A

A

F

F

F

P

L

L

V

V

A

A

G

A

S

L

I

L

V

V

P

P

G

G

A

S

E

D

L

V

R

T

L

I

P

L

A

N

V

V

G

L

L

M

N

N

P

P

R

T

R

R

T

T

G

G

L

L

L

I

Q

L

A

T

L

L

R

Q

L

E

M

M

G

G

A

A

D

D

I

I

A

E

V

V

E

I

N

N

Q

P

R

R

E

L

S

A

G

G

E

E

P

D

V

V

G

A

D

D

L

L

I

R

V

V

R

R

H

S

A

S

P

T

L

L

H

K

G

G

V

V

E

T

L

V

P

P

E

E

A

D

L

R

V

A

P

P

D

S

M

M

I

I

D
|
D

E

E

F

Y

P

P

A

I

L

L

F

A

I

V

A

A

V

F

A

A

Q

E

G

G

R

A

T

T

V

V

V

M

R

N

G

G

A

L

A

E

E

E

L

L

R

R

V

V

K
|
K

E
|
E

S

S

D

D

R

R

I

L

A

S

T

A

M

V

A

A

A

N

G

G

M

L

K

K

A

L

I

N

G

G

A

V

R

D

I

C

E

D

E

E

T

G

P

E

D

T

G

S

A

L

I

V

E

R

G

G

-

R

-

P

-

D

-

G

-

K

-

G

-

L

G

G

A

N

L

A

R

S

G

G

G

A

E

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

A

L

V

V

A

M

G

G

L

L

V

V

A

S

Q

E

E

N

P

P

I

V

R

T

I

V

A

D

D

D

C

A

A

T

N

M

V

I

A

A

T
|
T

S

S

F

F

P

P

G

E

F

F

M

M

E

D

L

L

A

M

N

A

G

G

C

L

G

G

active site: K23 (= K24), S24 (= S25), D50 (= D51), N93 (= N95), R123 (= R125), D321 (= D317), E349 (= E345), H399 (= H388), R400 (= R389), T426 (= T415)
binding shikimate-3-phosphate: S24 (= S25), R28 (= R29), T96 (= T98), S168 (= S169), Q170 (= Q171), D321 (= D317), K348 (= K344)

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)
48% identity, 97% coverage: 8:428/434 of query aligns to 7:444/455 of Q9R4E4

query
sites
Q9R4E4

S

S

Q

R

P

P

A

A

R

T

A

A

-

R

-

K

-

S

-

G

L

L

H

S

G

G

N

T

V

V

R

R

V

I

P

P

G

G

D

D

K

K

S
|
S

V

I

S

S

H

H

R
|
R

S

S

M

F

M

M

L

F

S

G

A

G

L

L

A

A

E

S

G

G

R

E

S

T

H

R

I

I

R

T

G

G

F

L

L

L

E

E

G

G

E

E

D

D

T

V

R

I

A

N

T

T

A

G

A

K

V

A

L

M

Q

Q

K

A

L

M

G

G

V

A

R

R

I

I

E

R

T

-

P

-

S

K

E

E

G

G

E

D

R

T

-

W

I

I

V

I

D

D

G

G

V

V

G

G

L

N

H

G

G

G

L

L

R

L

G

A

T

P

A

E

Q

A

A

P

L

L

D

D

C

F

G

G

N

N

A

A

G
x
A

T

T

G

G

M

C

R

R

L

L

L

T

A

M

G

G

L

L

L

V

A

G

G

V

Q

Y

A

D

F

F

D

D

S

S

T

T

L

F

V

I

G

G

D

D

E

A

S

S

L

L

S

T

K

K

R

R

P

P

M

M

R

G

R

R

V

V

T

L

E

N

P

P

L

L

A

R

A

E

M

M

G

G

A

V

R

Q

I

V

D

K

T

S

Q

E

D

D

G

G

-

D

L

R

P

L

P

P

L

V

R

T

V

L

H

R

G

G

G

P

Q

K

P

T

L

P

K

T

G

P

I

I

R

T

Y

Y

T

R

L

V

P

P

V

M

A

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

A

A

L

V

L

L

A

A

G

G

L

L

Y

N

A

T

Q

P

G

G

E

I

T

T

E

T

V

V

I

I

E

E

P

P

H

I

P

M

T

T

R

R

D

D

Y

H

T

T

E

E

R

K

M

M

L

L

A

Q

A

G

F

F

G

G

W

A

P

N

I

L

E

T

F

V

E

E

P

T

G

D

-

A

-

D

-

G

-

V

-

R

R

T

A

I

R

R

L

L

S

E

G

G

G

R

H

G

R

K

L

L

R

T

A

G

T

Q

D

V

V

I

E

D

V

V

P

P

A

G

D

D

F

P

S

S

A

T

A

A

F

F

F

P

L

L

V

V

A

A

G

A

S

L

I

L

V

V

P

P

G

G

A

S

E

D

L

V

R

T

L

I

P

L

A

N

V

V

G

L

L

M

N

N

P

P

R

T

R

R

T

T

G

G

L

L

L

I

Q

L

A

T

L

L

R

Q

L

E

M

M

G

G

A

A

D

D

I

I

A

E

V

V

E

I

N

N

Q

P

R

R

E

L

S

A

G

G

E

E

P

D

V

V

G

A

D

D

L

L

I

R

V

V

R

R

H

S

A

S

P

T

L

L

H

K

G

G

V

V

E

T

L

V

P

P

E

E

A

D

L

R

V

A

P

P

D

S

M

M

I

I

D
|
D

E

E

F

Y

P

P

A

I

L

L

F

A

I

V

A

A

V

F

A

A

Q

E

G

G

R

A

T

T

V

V

V

M

R

N

G

G

A

L

A

E

E

E

L

L

R

R

V

V

K
|
K

E

E

S

S

D

D

R

R

I

L

A

S

T

A

M

V

A

A

A

N

G

G

M

L

K

K

A

L

I

N

G

G

A

V

R

D

I

C

E

D

E

E

T

G

P

E

D

T

G

S

A

L

I

V

E

R

G

G

-

R

-

P

-

D

-

G

-

K

-

G

-

L

G

G

A

N

L

A

R

S

G

G

G

A

E

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

A

L

V

V

A

M

G

G

L

L

V

V

A

S

Q

E

E

N

P

P

I

V

R

T

I

V

A

D

D

D

C

A

A

T

N

M

V

I

A

A

T

T

S

S

F

F

P

P

G

E

F

F

M

M

E

D

L

L

A

M

N

A

G

G

C

L

G

G

S29 (= S25) binding 3-phosphoshikimate
R33 (= R29) binding 3-phosphoshikimate
A100 (≠ G97) mutation to G: Confers sensitivity to glyphosate allowing glyphosate to bind in its extended, inhibitory conformation.
S173 (= S169) binding 3-phosphoshikimate
A174 (= A170) binding 3-phosphoshikimate
Q175 (= Q171) binding 3-phosphoshikimate
D326 (= D317) binding 3-phosphoshikimate
K353 (= K344) binding 3-phosphoshikimate

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)
45% identity, 96% coverage: 7:422/434 of query aligns to 3:419/427 of Q9S400

query
sites
Q9S400

L

L

S

K

Q

T

P

N

A

I

R

R

A

H

L

L

H

H

G

G

N

S

V

I

R

R

V

V

P

P

G

G

D

D

K

K

S
|
S

V

I

S

S

H

H

R
|
R

S

S

M

I

L

F

S

G

A

S

L

L

A

A

E

E

G

G

R

E

S

T

H

K

I

V

R

Y

G

D

F

I

L

L

E

R

G

G

E

E

D

D

T

V

R

L

A

S

T

T

A

M

A

Q

V

V

L

F

Q

R

K

D

L

L

G

G

V

V

R

E

I

I

E

E

T

-

P

D

S

K

E

D

G

G

E

V

R

I

I

T

V

I

D

Q

G

G

V

V

G

G

L

M

H

A

G

G

L

L

R

K

G

A

T

P

A

Q

Q

N

A

A

L

L

D

N

C

M

G

G

N

N

A

S

G

G

T

T

G

S

M

I

R

R

L

L

L

I

A

S

G

G

L

V

L

L

A

A

G

G

Q

A

A

D

F

F

D

E

S

V

T

E

L

M

V

F

G

G

D

D

E

D

S

S

L

L

S

S

K

K

R

R

P

P

M

M

R

D

R

R

V

V

T

T

E

L

P

P

L

L

A

K

M

M

G

G

A

V

R

S

I

I

-

S

-

G

D

Q

T

T

Q

E

D

R

G

D

L

L

P

P

L

L

R

R

V

L

H

K

G

G

G

T

Q

K

P

N

L

L

K

R

G

P

I

I

R

H

Y

Y

T

E

L

L

P

P

V

I

A

A

S
|
S

A
|
A

Q
|
Q

V

V

K

K

S

S

A

A

L

L

L

M

L

F

A

A

G

A

L

L

Y

Q

A

A

Q

K

G

G

E

E

T

S

E

V

V

I

I

I

E

E

P

K

H

E

P

Y

T

T

R

R

D

N

Y

H

T

T

E

E

R

D

M

M

L

L

A

K

A

Q

F

F

G

G

W

G

P

H

I

L

E

S

F

V

E

D

P

G

G

K

R

K

A

I

R

T

L

V

S

Q

G

G

G

P

H

Q

R

K

L

L

R

T

A

G

T

Q

D

K

V

V

E

V

V

V

P

P

A

G

D

D

F

I

S

S

A

A

F

F

F

W

L

L

V

V

A

A

G

G

S

L

I

I

V

A

P

P

G

N

A

S

E

R

L

L

R

V

L

L

P

Q

A

N

V

V

G

G

L

I

N

N

P

E

R

T

R

R

T

T

G

G

L

I

Q

D

A

V

L

I

R

R

L

A

M

M

G

G

A

G

D

K

I

L

A

E

V

I

E

T

N

E

Q

I

R

-

E

-

S

-

G

-

E

D

P

P

V

V

G

A

D

K

-

S

-

A

-

T

L

L

I

I

V

V

R

E

H

S

A

S

P

D

L

L

H

K

G

G

V

T

E

E

L

I

P

G

E

G

A

A

L

L

V

I

P

P

D

R

M

L

I

I

D
|
D

E

E

F

L

P

P

A

I

L

I

F

A

I

L

A

L

A

A

A

T

V

Q

A

A

Q

Q

G

G

R

V

T

T

V

V

V

I

R

K

G

D

A

A

A

E

E

E

L

L

R

K

V

V

K
|
K

E

E

S

T

D

D

R

R

I

I

A

Q

T

V

M

V

A

A

A

D

G

A

M

L

K

N

A

S

I

M

G

G

A

A

R

D

I

I

E

T

E

P

T

T

P

A

D

D

G

G

A

M

I

I

E

K

G

G

-

K

G

S

A

A

L

L

R

H

G

G

G

A

E

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

A

A

V

I

A

A

G

A

-

L

L

L

V

V

A

A

Q

D

E

G

P

E

I

V

R

E

I

L

A

D

D

R

C

A

A

E

N

A

V

I

A

N

T

T

S

S

F

Y

P

P

G

S

F

F

M

F

E

D

S21 (= S25) binding 3-phosphoshikimate
R25 (= R29) binding 3-phosphoshikimate
S166 (= S169) binding 3-phosphoshikimate
A167 (= A170) binding 3-phosphoshikimate
Q168 (= Q171) binding 3-phosphoshikimate
D312 (= D317) binding 3-phosphoshikimate
K339 (= K344) binding 3-phosphoshikimate

1rf6A Structural studies of streptococcus pneumoniae epsp synthase in s3p- glp bound state (see paper)
45% identity, 96% coverage: 7:422/434 of query aligns to 3:419/427 of 1rf6A

query
sites
1rf6A

L

L

S

K

Q

T

P

N

A

I

R

R

A

H

L

L

H

H

G

G

N

I

V

I

R

R

V

V

P

P

G

G

D

D

K
|
K

S
|
S

V

I

S

S

H

H

R
|
R

S

S

M

I

L

F

S

G

A

S

L

L

A

A

E

E

G

G

R

E

S

T

H

K

I

V

R

Y

G

D

F

I

L

L

E

R

G

G

E

E

D
|
D

T

V

R

L

A

S

T

T

A

M

A

Q

V

V

L

F

Q

R

K

D

L

L

G

G

V

V

R

E

I

I

E

E

T

-

P

D

S

K

E

D

G

G

E

V

R

I

I

T

V

V

D

Q

G

G

V

V

G

G

L

M

H

A

G

G

L

L

R

K

G

A

T

P

A

Q

Q

N

A

A

L

L

D

N

C

M

G

G

N
|
N

A

S

G
|
G

T
|
T

G

S

M

I

R

R

L

L

L

I

A

S

G

G

L

V

L

L

A

A

G

G

Q

A

A

D

F

F

D

E

S

V

T

E

L

M

V

F

G

G

D

D

E
x
D

S

S

L

L

S

S

K

K

R
|
R

P

P

M

M

R

D

R

R

V

V

T

T

E

L

P

P

L

L

A

K

M

M

G

G

A

V

R

S

I

I

-

S

-

G

D

Q

T

T

Q

E

D

R

G

D

L

L

P

P

L

L

R

R

V

L

H

K

G

G

G

T

Q

K

P

N

L

L

K

R

G

P

I

I

R

H

Y

Y

T

E

L

L

P

P

V

I

A

A

S
|
S

A

A

Q
|
Q

V

V

K

K

S

S

A

A

L

L

L

M

L

F

A

A

G

A

L

L

Y

Q

A

A

Q

K

G

G

E

E

T

S

E

V

V

I

I

I

E

E

P

K

H

E

P

Y

T

T

R
|
R

D

N

Y

H

T

T

E

E

R

D

M

M

L

L

A

Q

F

F

G

G

W

G

P

H

I

L

E

S

F

V

E

D

P

G

G

K

R

K

A

I

R

T

L

V

S

Q

G

G

G

P

H

Q

R

K

L

L

R

T

A

G

T

Q

D

K

V

V

E

V

V

V

P

P

A

G

D

D

F

I

S

S

A

A

F

F

F

W

L

L

V

V

A

A

G

G

S

L

I

I

V

A

P

P

G

N

A

S

E

R

L

L

R

V

L

L

P

Q

A

N

V

V

G

G

L

I

N

N

P

E

R

T

R

R

T

T

G

G

L

I

Q

D

A

V

L

I

R

R

L

A

M

M

G

G

A

G

D

K

I

L

A

E

V

I

E

T

N

E

Q

I

R

-

E

-

S

-

G

-

E

D

P

P

V

V

G

A

D

K

-

S

-

A

-

T

L

L

I

I

V

V

R

E

H

S

A

S

P

D

L

L

H

K

G

G

V

T

E

E

L

I

P

C

E

G

A

A

L

L

V

I

P

P

D

R

M

L

I
|
I

D
|
D

E

E

F

L

P

P

A

I

L

I

F

A

I

L

A

L

A

A

A

T

V

Q

A

A

Q

Q

G

G

R

V

T

T

V

V

V

I

R

K

G

D

A

A

A

E

E

E

L

L

R

K

V

V

K
|
K

E
|
E

S

T

D

D

R
|
R

I

I

A

Q

T

V

M

V

A

A

A

D

G

A

M

L

K

N

A

S

I

M

G

G

A

A

R

D

I

I

E

T

E

P

T

T

P

A

D

D

G

G

A

M

I

I

E

K

G

G

-

K

G

S

A

A

L

L

R

H

G

G

G

A

E

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

A

A

V

I

A

A

G

A

-

L

L

L

V

V

A

A

Q

D

E

G

P

E

I

V

R

E

I

L

A

D

D

R

C

A

A

E

N

A

V

I

A

N

T
|
T

S

S

F

Y

P

P

G

S

F

F

M

F

E

D

active site: K20 (= K24), S21 (= S25), D47 (= D51), N90 (= N95), D115 (≠ E120), R120 (= R125), D312 (= D317), E340 (= E345), H384 (= H388), R385 (= R389), T412 (= T415)
binding glyphosate: K20 (= K24), G92 (= G97), T93 (= T98), R120 (= R125), Q168 (= Q171), D312 (= D317), E340 (= E345), R343 (= R348), H384 (= H388), R385 (= R389)
binding shikimate-3-phosphate: S21 (= S25), R25 (= R29), S166 (= S169), Q168 (= Q171), R193 (= R196), I311 (= I316), D312 (= D317), K339 (= K344)

1rf4A Structural studies of streptococcus pneumoniae epsp synthase, tetrahedral intermediate bound state (see paper)
45% identity, 96% coverage: 7:422/434 of query aligns to 3:419/427 of 1rf4A

query
sites
1rf4A

L

L

S

K

Q

T

P

N

A

I

R

R

A

H

L

L

H

H

G

G

N

I

V

I

R

R

V

V

P

P

G

G

D

D

K
|
K

S
|
S

V

I

S

S

H

H

R
|
R

S

S

M

I

L

F

S

G

A

S

L

L

A

A

E

E

G

G

R

E

S

T

H

K

I

V

R

Y

G

D

F

I

L

L

E

R

G

G

E

E

D
|
D

T

V

R

L

A

S

T

T

A

M

A

Q

V

V

L

F

Q

R

K

D

L

L

G

G

V

V

R

E

I

I

E

E

T

-