SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing CA265_RS11640 FitnessBrowser__Pedo557:CA265_RS11640 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)

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
36% identity, 95% coverage: 15:414/422 of query aligns to 12:423/426 of 3nvsA

query
sites
3nvsA

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active site: K22 (= K25), S23 (= S26), D49 (= D52), N94 (≠ P81), P119 (≠ E106), R124 (= R111), H128 (≠ I115), Q135 (≠ T122), Y142 (= Y129), E144 (= E131), A247 (= A232), A255 (= A240), D314 (= D303), E342 (= E331), H386 (= H377), R387 (= R378), K412 (= K403)
binding glyphosate: K22 (= K25), G96 (= G83), R124 (= R111), Q172 (= Q160), D314 (= D303), E342 (= E331), R345 (= R334), H386 (= H377), R387 (= R378)
binding magnesium ion: E123 (≠ Q110), Q145 (≠ A132)
binding shikimate-3-phosphate: K22 (= K25), S23 (= S26), R27 (= R30), T97 (= T84), S170 (= S158), S171 (= S159), Q172 (= Q160), S198 (= S186), Y201 (= Y189), D314 (= D303), N337 (≠ T326), K341 (= K330)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S23 (= S26), R27 (= R30), Q172 (= Q160), Y201 (= Y189), D314 (= D303), K341 (= K330)

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)
36% identity, 95% coverage: 15:414/422 of query aligns to 12:423/426 of Q9KRB0

query
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Q9KRB0

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KS 22:23 (= KS 25:26) binding
R27 (= R30) binding
NAGT 94:97 (≠ PAGT 81:84) Phosphoenolpyruvate
R124 (= R111) binding
SSQ 170:172 (= SSQ 158:160) binding
S198 (= S186) binding
N337 (≠ T326) binding
K341 (= K330) binding
R345 (= R334) binding
R387 (= R378) binding

2pq9A E. Coli epsps liganded with (r)-difluoromethyl tetrahedral reaction intermediate analog (see paper)
32% identity, 95% coverage: 14:414/422 of query aligns to 11:422/427 of 2pq9A

query
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2pq9A

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I

L

T

N

P

T

P

D

E

N

K

L

L

H

N

F

F

P

A

D

E

K

-

I

-

T

-

I

I

A

A

T

T

Y

Y

E

N

D

D

H
|
H

R
|
R

M

M

A

A

M

M

A

C

F

F

A

S

P

L

L

V

A

A

L

L

L

S

I

D

N

T

E

P

V

V

E

T

I

I

E

L

E

D

M

P

Q

K

V

C

V

T

E

A

K
|
K

S

T

Y

F

P

P

Y

D

Y

Y

W

F

E

E

D

Q

L

L

K

A

K

R

active site: K22 (= K25), S23 (= S26), D49 (= D52), N94 (≠ P81), P119 (≠ E106), R124 (= R111), D313 (= D303), E341 (= E331), H385 (= H377), R386 (= R378), K411 (= K403)
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 (= G83), T97 (= T84), R124 (= R111), S169 (= S158), S170 (= S159), Q171 (= Q160), S197 (= S186), Y200 (= Y189), D313 (= D303), N336 (≠ T326), K340 (= K330), R344 (= R334), H385 (= H377), R386 (= R378), K411 (= K403)

2aa9A Epsp synthase liganded with shikimate (see paper)
32% identity, 95% coverage: 14:414/422 of query aligns to 11:422/427 of 2aa9A

query
sites
2aa9A

N

R

I

V

N

D

T

G

E

T

I

I

Q

N

L

L

T

P

G

G

S

S

K
|
K

S
|
S

E

V

C

S

N

N

R
|
R

A

A

L

L

I

L

S

A

A

A

L

L

S

A

K

H

K

G

L

K

V

T

K

V

V

L

E

T

N

N

L

L

S

L

N

D

A

S

A

D

D
|
D

T

V

V

R

T

H

L

M

N

L

G

N

I

A

L

L

N

T

N

A

L

L

E

G

E

V

E

S

L

Y

E

T

V

L

E

S

I

A

Q

D

E

R

S

T

K

R

T

C

-

E

-

I

-

G

-

N

-

G

-

P

-

L

-

H

-

A

-

E

-

G

-

A

-

L

-

E

V

L

D

F

V

L

G

G

P
x
N

A

A

G

G

T
|
T

A

A

M

M

R

R

F

P

L

L

S

A

A

A

Y

A

L

L

S

C

A

L

K

G

N

S

G

N

N

D

F

I

L

V

L

L

T

T

G

G

T

E

E
x
P

R

R

M

M

K

K

Q

E

R
|
R

P

P

I

I

G

G

I

H

L

L

A

V

E

D

A

A

L

L

K

R

T

L

I

G

G

G

A

A

D

K

I

I

S

T

Y

Y

A

L

E

E

A

Q

E

E

G

N

F

Y

P

P

L

L

N

R

I

L

V

Q

G

G

P

G

L

F

N

T

Q

G

K

-

T

-

A

G

E

N

V

V

K

D

I

V

K

D

G

G

D

S

I

V

S

S

Q
|
Q

Y

F

I

L

S

T

A

A

L

L

M

M

I

T

A

A

P

P

I

L

L

A

P

P

Q

E

G

D

L

T

T

V

L

I

E

R

I

I

E

K

G

G

E

D

L

L

T

V

S

S

K

K

P

P

Y
|
Y

V

I

D

D

M

I

T

T

L

L

D

N

M

L

L

M

A

K

E

T

V

F

G

G

I

V

A

E

-

I

H

E

S

N

W

Q

N

H

G

Y

N

Q

S

Q

I

F

S

V

I

V

K

K

-

G

P

G

Q

Q

A

S

F

Y

K

Q

-

S

P

P

G

G

T

T

L

Y

V

L

V

V

E

E

P

G

D

D

W

A

S

S

A

S

A

A

S

S

Y

Y

W

F

Y

L

S

A

I

A

A

A

L

I

A

K

D

G

E

-

A

G

E

T

I

V

S

K

L

V

P

T

A

G

L

I

K

G

E

R

K

N

S

S

L

M

Q

Q

G

G

D

D

S

I

Q

R

I

F

K

A

N

D

I

V

M

L

K

E

I

K

F

M

G

G

I

A

A

T

T

I

S

C

K

W

T

G

D

D

N

D

G

Y

I

I

A

S

I

C

S

T

N

R

L

G

G

E

L

L

-

N

S

A

L

I

D

D

T

-

K

-

E

-

V

-

L

M

D

D

L

M

K

N

T

H

C

I

P

P

D
|
D

L

A

A

A

Q

M

T

T

I

I

V

A

V

T

I

A

A

A

A

L

A

F

L

A

G

K

K

G

N

T

M

T

A

T

F

L

T

R

G

N

L

I

E

Y

T

N

L

W

K

R

I

V

K
|
K

E
|
E

T

T

D

D

R

R

I

L

A

F

A

A

L

M

Q

A

N

T

E

E

L

L

A

R

K

K

I

V

G

G

V

A

T

E

L

V

T

E

E

E

-

G

D

H

N

D

L

Y

V

I

Y

R

T

I

L

T

N

P

T

P

D

E

N

K

L

L

H

N

F

F

P

A

D

E

K

-

I

-

T

-

I

I

A

A

T

T

Y

Y

E

N

D

D

H
|
H

R
|
R

M

M

A

A

M

M

A

C

F

F

A

S

P

L

L

V

A

A

L

L

L

S

I

D

N

T

E

P

V

V

E

T

I

I

E

L

E

D

M

P

Q

K

V

C

V

T

E

A

K
|
K

S

T

Y

F

P

P

Y

D

Y

Y

W

F

E

E

D

Q

L

L

K

A

K

R

active site: K22 (= K25), S23 (= S26), D49 (= D52), N94 (≠ P81), P119 (≠ E106), R124 (= R111), D313 (= D303), E341 (= E331), H385 (= H377), R386 (= R378), K411 (= K403)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: K22 (= K25), S23 (= S26), R27 (= R30), T97 (= T84), Q171 (= Q160), Y200 (= Y189), D313 (= D303), K340 (= K330)

1x8tA Epsps liganded with the (r)-phosphonate analog of the tetrahedral reaction intermediate (see paper)
32% identity, 95% coverage: 14:414/422 of query aligns to 11:422/427 of 1x8tA

query
sites
1x8tA

N

R

I

V

N

D

T

G

E

T

I

I

Q

N

L

L

T

P

G

G

S

S

K
|
K

S
|
S

E

V

C

S

N

N

R
|
R

A

A

L

L

I

L

S

A

A

A

L

L

S

A

K

H

K

G

L

K

V

T

K

V

V

L

E

T

N

N

L

L

S

L

N

D

A

S

A

D

D
|
D

T

V

V

R

T

H

L

M

N

L

G

N

I

A

L

L

N

T

N

A

L

L

E

G

E

V

E

S

L

Y

E

T

V

L

E

S

I

A

Q

D

E

R

S

T

K

R

T

C

-

E

-

I

-

G

-

N

-

G

-

P

-

L

-

H

-

A

-

E

-

G

-

A

-

L

-

E

V

L

D

F

V

L

G

G

P
x
N

A

A

G

G

T
|
T

A

A

M

M

R

R

F

P

L

L

S

A

A

A

Y

A

L

L

S

C

A

L

K

G

N

S

G

N

N

D

F

I

L

V

L

L

T

T

G

G

T

E

E
x
P

R

R

M

M

K

K

Q

E

R
|
R

P

P

I

I

G

G

I

H

L

L

A

V

E

D

A

A

L

L

K

R

T

L

I

G

G

G

A

A

D

K

I

I

S

T

Y

Y

A

L

E

E

A

Q

E

E

G

N

F

Y

P

P

L

L

N

R

I

L

V

Q

G

G

P

G

L

F

N

T

Q

G

K

-

T

-

A

G

E

N

V

V

K

D

I

V

K

D

G

G

D

S

I

V

S
|
S

Q
|
Q

Y

F

I

L

S

T

A

A

L

L

M

M

I

T

A

A

P

P

I

L

L

A

P

P

Q

E

G

D

L

T

T

V

L

I

E

R

I

I

E

K

G

G

E

D

L

L

T

V

S
|
S

K

K

P

P

Y
|
Y

V

I

D

D

M

I

T

T

L

L

D

N

M

L

L

M

A

K

E

T

V

F

G

G

I

V

A

E

-

I

H

E

S

N

W

Q

N

H

G

Y

N

Q

S

Q

I

F

S

V

I

V

K

K

-

G

P

G

Q

Q

A

S

F

Y

K

Q

-

S

P

P

G

G

T

T

L

Y

V

L

V

V

E

E

P

G

D

D

W

A

S

S

A

S

A

A

S

S

Y

Y

W

F

Y

L

S

A

I

A

A

A

L

I

A

K

D

G

E

-

A

G

E

T

I

V

S

K

L

V

P

T

A

G

L

I

K

G

E

R

K

N

S

S

L

M

Q

Q

G

G

D

D

S

I

Q

R

I

F

K

A

N

D

I

V

M

L

K

E

I

K

F

M

G

G

I

A

A

T

T

I

S

C

K

W

T

G

D

D

N

D

G

Y

I

I

A

S

I

C

S

T

N

R

L

G

G

E

L

L

-

N

S

A

L

I

D

D

T

-

K

-

E

-

V

-

L

M

D

D

L

M

K

N

T

H

C

I

P

P

D
|
D

L

A

A

A

Q

M

T

T

I

I

V

A

V

T

I

A

A

A

A

L

A

F

L

A

G

K

K

G

N

T

M

T

A

T

F

L

T

R

G

N

L

I

E

Y

T
x
N

L

W

K

R

I

V

K
|
K

E
|
E

T

T

D

D

R
|
R

I

L

A

F

A

A

L

M

Q

A

N

T

E

E

L

L

A

R

K

K

I

V

G

G

V

A

T

E

L

V

T

E

E

E

-

G

D

H

N

D

L

Y

V

I

Y

R

T

I

L

T

N

P

T

P

D

E

N

K

L

L

H

N

F

F

P

A

D

E

K

-

I

-

T

-

I

I

A

A

T

T

Y

Y

E

N

D

D

H
|
H

R
|
R

M

M

A

A

M

M

A

C

F

F

A

S

P

L

L

V

A

A

L

L

L

S

I

D

N

T

E

P

V

V

E

T

I

I

E

L

E

D

M

P

Q

K

V

C

V

T

E

A

K
|
K

S

T

Y

F

P

P

Y

D

Y

Y

W

F

E

E

D

Q

L

L

K

A

K

R

active site: K22 (= K25), S23 (= S26), D49 (= D52), N94 (≠ P81), P119 (≠ E106), R124 (= R111), D313 (= D303), E341 (= E331), H385 (= H377), R386 (= R378), K411 (= K403)
binding [3r-[3a,4a,5b(r*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid: K22 (= K25), S23 (= S26), R27 (= R30), T97 (= T84), S169 (= S158), S170 (= S159), Q171 (= Q160), S197 (= S186), Y200 (= Y189), D313 (= D303), N336 (≠ T326), K340 (= K330), R344 (= R334), H385 (= H377), R386 (= R378)

1x8rA Epsps liganded with the (s)-phosphonate analog of the tetrahedral reaction intermediate (see paper)
32% identity, 95% coverage: 14:414/422 of query aligns to 11:422/427 of 1x8rA

query
sites
1x8rA

N

R

I

V

N

D

T

G

E

T

I

I

Q

N

L

L

T

P

G

G

S

S

K
|
K

S
|
S

E

V

C

S

N

N

R
|
R

A

A

L

L

I

L

S

A

A

A

L

L

S

A

K

H

K

G

L

K

V

T

K

V

V

L

E

T

N

N

L

L

S

L

N

D

A

S

A

D

D
|
D

T

V

V

R

T

H

L

M

N

L

G

N

I

A

L

L

N

T

N

A

L

L

E

G

E

V

E

S

L

Y

E

T

V

L

E

S

I

A

Q

D

E

R

S

T

K

R

T

C

-

E

-

I

-

G

-

N

-

G

-

P

-

L

-

H

-

A

-

E

-

G

-

A

-

L

-

E

V

L

D

F

V

L

G

G

P
x
N

A

A

G
|
G

T
|
T

A

A

M

M

R

R

F

P

L

L

S

A

A

A

Y

A

L

L

S

C

A

L

K

G

N

S

G

N

N

D

F

I

L

V

L

L

T

T

G

G

T

E

E
x
P

R

R

M

M

K

K

Q

E

R
|
R

P

P

I

I

G

G

I

H

L

L

A

V

E

D

A

A

L

L

K

R

T

L

I

G

G

G

A

A

D

K

I

I

S

T

Y

Y

A

L

E

E

A

Q

E

E

G

N

F

Y

P

P

L

L

N

R

I

L

V

Q

G

G

P

G

L

F

N

T

Q

G

K

-

T

-

A

G

E

N

V

V

K

D

I

V

K

D

G

G

D

S

I

V

S
|
S

Q
|
Q

Y

F

I

L

S

T

A

A

L

L

M

M

I

T

A

A

P

P

I

L

L

A

P

P

Q

E

G

D

L

T

T

V

L

I

E

R

I

I

E

K

G

G

E

D

L

L

T

V

S
|
S

K

K

P

P

Y
|
Y

V

I

D

D

M

I

T

T

L

L

D

N

M

L

L

M

A

K

E

T

V

F

G

G

I

V

A

E

-

I

H

E

S

N

W

Q

N

H

G

Y

N

Q

S

Q

I

F

S

V

I

V

K

K

-

G

P

G

Q

Q

A

S

F

Y

K

Q

-

S

P

P

G

G

T

T

L

Y

V

L

V

V

E

E

P

G

D

D

W

A

S

S

A

S

A

A

S

S

Y

Y

W

F

Y

L

S

A

I

A

A

A

L

I

A

K

D

G

E

-

A

G

E

T

I

V

S

K

L

V

P

T

A

G

L

I

K

G

E

R

K

N

S

S

L

M

Q

Q

G

G

D

D

S

I

Q

R

I

F

K

A

N

D

I

V

M

L

K

E

I

K

F

M

G

G

I

A

A

T

T

I

S

C

K

W

T

G

D

D

N

D

G

Y

I

I

A

S

I

C

S

T

N

R

L

G

G

E

L

L

-

N

S

A

L

I

D

D

T

-

K

-

E

-

V

-

L

M

D

D

L

M

K

N

T

H

C

I

P

P

D
|
D

L

A

A

A

Q

M

T

T

I

I

V

A

V

T

I

A

A

A

A

L

A

F

L

A

G

K

K

G

N

T

M

T

A

T

F

L

T

R

G

N

L

I

E

Y

T
x
N

L

W

K

R

I

V

K
|
K

E
|
E

T

T

D

D

R

R

I

L

A

F

A

A

L

M

Q

A

N

T

E

E

L

L

A

R

K

K

I

V

G

G

V

A

T

E

L

V

T

E

E

E

-

G

D

H

N

D

L

Y

V

I

Y

R

T

I

L

T

N

P

T

P

D

E

N

K

L

L

H

N

F

F

P

A

D

E

K

-

I

-

T

-

I

I

A

A

T

T

Y

Y

E

N

D

D

H
|
H

R
|
R

M

M

A

A

M

M

A

C

F

F

A

S

P

L

L

V

A

A

L

L

L

S

I

D

N

T

E

P

V

V

E

T

I

I

E

L

E

D

M

P

Q

K

V

C

V

T

E

A

K
|
K

S

T

Y

F

P

P

Y

D

Y

Y

W

F

E

E

D

Q

L

L

K

A

K

R

active site: K22 (= K25), S23 (= S26), D49 (= D52), N94 (≠ P81), P119 (≠ E106), R124 (= R111), D313 (= D303), E341 (= E331), H385 (= H377), R386 (= R378), K411 (= K403)
binding [3r-[3a,4a,5b(s*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid: K22 (= K25), S23 (= S26), R27 (= R30), G96 (= G83), T97 (= T84), R124 (= R111), S169 (= S158), S170 (= S159), Q171 (= Q160), S197 (= S186), Y200 (= Y189), D313 (= D303), N336 (≠ T326), K340 (= K330), E341 (= E331), H385 (= H377), K411 (= K403)

1g6tA Structure of epsp synthase liganded with shikimate-3-phosphate (see paper)
32% identity, 95% coverage: 14:414/422 of query aligns to 11:422/427 of 1g6tA

query
sites
1g6tA

N

R

I

V

N

D

T

G

E

T

I

I

Q

N

L

L

T

P

G

G

S

S

K
|
K

S
|
S

E

V

C

S

N

N

R
|
R

A

A

L

L

I

L

S

A

A

A

L

L

S

A

K

H

K

G

L

K

V

T

K

V

V

L

E

T

N

N

L

L

S

L

N

D

A

S

A

D

D
|
D

T

V

V

R

T

H

L

M

N

L

G

N

I

A

L

L

N

T

N

A

L

L

E

G

E

V

E

S

L

Y

E

T

V

L

E

S

I

A

Q

D

E

R

S

T

K

R

T

C

-

E

-

I

-

G

-

N

-

G

-

P

-

L

-

H

-

A

-

E

-

G

-

A

-

L

-

E

V

L

D

F

V

L

G

G

P
x
N

A

A

G
|
G

T
|
T

A

A

M

M

R

R

F

P

L

L

S

A

A

A

Y

A

L

L

S

C

A

L

K

G

N

S

G

N

N

D

F

I

L

V

L

L

T

T

G

G

T

E

E
x
P

R

R

M

M

K

K

Q

E

R
|
R

P

P

I

I

G

G

I

H

L

L

A

V

E

D

A

A

L

L

K

R

T

L

I

G

G

G

A

A

D

K

I

I

S

T

Y

Y

A

L

E

E

A

Q

E

E

G

N

F

Y

P

P

L

L

N

R

I

L

V

Q

G

G

P

G

L

F

N

T

Q

G

K

-

T

-

A

G

E

N

V

V

K

D

I

V

K

D

G

G

D

S

I

V

S
|
S

Q
|
Q

Y

F

I

L

S

T

A

A

L

L

M

M

I

T

A

A

P

P

I

L

L

A

P

P

Q

E

G

D

L

T

T

V

L

I

E

R

I

I

E

K

G

G

E

D

L

L

T

V

S
|
S

K

K

P

P

Y
|
Y

V

I

D

D

M

I

T

T

L

L

D

N

M

L

L

M

A

K

E

T

V

F

G

G

I

V

A

E

-

I

H

E

S

N

W

Q

N

H

G

Y

N

Q

S

Q

I

F

S

V

I

V

K

K

-

G

P

G

Q

Q

A

S

F

Y

K

Q

-

S

P

P

G

G

T

T

L

Y

V

L

V

V

E

E

P

G

D

D

W

A

S

S

A

S

A

A

S

S

Y

Y

W

F

Y

L

S

A

I

A

A

A

L

I

A

K

D

G

E

-

A

G

E

T

I

V

S

K

L

V

P

T

A

G

L

I

K

G

E

R

K

N

S

S

L

M

Q

Q

G

G

D

D

S

I

Q

R

I

F

K

A

N

D

I

V

M

L

K

E

I

K

F

M

G

G

I

A

A

T

T

I

S

C

K

W

T

G

D

D

N

D

G

Y

I

I

A

S

I

C

S

T

N

R

L

G

G

E

L

L

-

N

S

A

L

I

D

D

T

-

K

-

E

-

V

-

L

M

D

D

L

M

K

N

T

H

C

I

P

P

D
|
D

L

A

A

A

Q

M

T

T

I

I

V

A

V

T

I

A

A

A

A

L

A

F

L

A

G

K

K

G

N

T

M

T

A

T

F

L

T

R

G

N

L

I

E

Y

T
x
N

L

W

K

R

I

V

K
|
K

E
|
E

T

T

D

D

R

R

I

L

A

F

A

A

L

M

Q

A

N

T

E

E

L

L

A

R

K

K

I

V

G

G

V

A

T

E

L

V

T

E

E

E

-

G

D

H

N

D

L

Y

V

I

Y

R

T

I

L

T

N

P

T

P

D

E

N

K

L

L

H

N

F

F

P

A

D

E

K

-

I

-

T

-

I

I

A

A

T

T

Y

Y

E

N

D

D

H
|
H

R
|
R

M

M

A

A

M

M

A

C

F

F

A

S

P

L

L

V

A

A

L

L

L

S

I

D

N

T

E

P

V

V

E

T

I

I

E

L

E

D

M

P

Q

K

V

C

V

T

E

A

K
|
K

S

T

Y

F

P

P

Y

D

Y

Y

W

F

E

E

D

Q

L

L

K

A

K

R

active site: K22 (= K25), S23 (= S26), D49 (= D52), N94 (≠ P81), P119 (≠ E106), R124 (= R111), D313 (= D303), E341 (= E331), H385 (= H377), R386 (= R378), K411 (= K403)
binding phosphate ion: K22 (= K25), G96 (= G83), T97 (= T84), R124 (= R111), Q171 (= Q160), E341 (= E331), K411 (= K403)
binding shikimate-3-phosphate: K22 (= K25), S23 (= S26), R27 (= R30), T97 (= T84), S169 (= S158), S170 (= S159), Q171 (= Q160), S197 (= S186), Y200 (= Y189), D313 (= D303), N336 (≠ T326), K340 (= K330)

1g6sA Structure of epsp synthase liganded with shikimate-3-phosphate and glyphosate (see paper)
32% identity, 95% coverage: 14:414/422 of query aligns to 11:422/427 of 1g6sA

query
sites
1g6sA

N

R

I

V

N

D

T

G

E

T

I

I

Q

N

L

L

T

P

G

G

S

S

K
|
K

S
|
S

E

V

C

S

N

N

R
|
R

A

A

L

L

I

L

S

A

A

A

L

L

S

A

K

H

K

G

L

K

V

T

K

V

V

L

E

T

N

N

L

L

S

L

N

D

A

S

A

D

D
|
D

T

V

V

R

T

H

L

M

N

L

G

N

I

A

L

L

N

T

N

A

L

L

E

G

E

V

E

S

L

Y

E

T

V

L

E

S

I

A

Q

D

E

R

S

T

K

R

T

C

-

E

-

I

-

G

-

N

-

G

-

P

-

L

-

H

-

A

-

E

-

G

-

A

-

L

-

E

V

L

D

F

V

L

G

G

P
x
N

A

A

G
|
G

T
|
T

A

A

M

M

R

R

F

P

L

L

S

A

A

A

Y

A

L

L

S

C

A

L

K

G

N

S

G

N

N

D

F

I

L

V

L

L

T

T

G

G

T

E

E
x
P

R

R

M

M

K

K

Q

E

R
|
R

P

P

I

I

G

G

I

H

L

L

A

V

E

D

A

A

L

L

K

R

T

L

I

G

G

G

A

A

D

K

I

I

S

T

Y

Y

A

L

E

E

A

Q

E

E

G

N

F

Y

P

P

L

L

N

R

I

L

V

Q

G

G

P

G

L

F

N

T

Q

G

K

-

T

-

A

G

E

N

V

V

K

D

I

V

K

D

G

G

D

S

I

V

S
|
S

Q
|
Q

Y

F

I

L

S

T

A

A

L

L

M

M

I

T

A

A

P

P

I

L

L

A

P

P

Q

E

G

D

L

T

T

V

L

I

E

R

I

I

E

K

G

G

E

D

L

L

T

V

S
|
S

K

K

P

P

Y
|
Y

V

I

D

D

M

I

T

T

L

L

D

N

M

L

L

M

A

K

E

T

V

F

G

G

I

V

A

E

-

I

H

E

S

N

W

Q

N

H

G

Y

N

Q

S

Q

I

F

S

V

I

V

K

K

-

G

P

G

Q

Q

A

S

F

Y

K

Q

-

S

P

P

G

G

T

T

L

Y

V

L

V

V

E

E

P

G

D

D

W

A

S

S

A

S

A

A

S

S

Y

Y

W

F

Y

L

S

A

I

A

A

A

L

I

A

K

D

G

E

-

A

G

E

T

I

V

S

K

L

V

P

T

A

G

L

I

K

G

E

R

K

N

S

S

L

M

Q

Q

G

G

D

D

S

I

Q

R

I

F

K

A

N

D

I

V

M

L

K

E

I

K

F

M

G

G

I

A

A

T

T

I

S

C

K

W

T

G

D

D

N

D

G

Y

I

I

A

S

I

C

S

T

N

R

L

G

G

E

L

L

-

N

S

A

L

I

D

D

T

-

K

-

E

-

V

-

L

M

D

D

L

M

K

N

T

H

C

I

P

P

D
|
D

L

A

A

A

Q

M

T

T

I

I

V

A

V

T

I

A

A

A

A

L

A

F

L

A

G

K

K

G

N

T

M

T

A

T

F

L

T

R

G

N

L

I

E

Y

T
x
N

L

W

K

R

I

V

K
|
K

E
|
E

T

T

D

D

R
|
R

I

L

A

F

A

A

L

M

Q

A

N

T

E

E

L

L

A

R

K

K

I

V

G

G

V

A

T

E

L

V

T

E

E

E

-

G

D

H

N

D

L

Y

V

I

Y

R

T

I

L

T

N

P

T

P

D

E

N

K

L

L

H

N

F

F

P

A

D

E

K

-

I

-

T

-

I

I

A

A

T

T

Y

Y

E

N

D

D

H
|
H

R
|
R

M

M

A

A

M

M

A

C

F

F

A

S

P

L

L

V

A

A

L

L

L

S

I

D

N

T

E

P

V

V

E

T

I

I

E

L

E

D

M

P

Q

K

V

C

V

T

E

A

K
|
K

S

T

Y

F

P

P

Y

D

Y

Y

W

F

E

E

D

Q

L

L

K

A

K

R

active site: K22 (= K25), S23 (= S26), D49 (= D52), N94 (≠ P81), P119 (≠ E106), R124 (= R111), D313 (= D303), E341 (= E331), H385 (= H377), R386 (= R378), K411 (= K403)
binding glyphosate: K22 (= K25), G96 (= G83), R124 (= R111), Q171 (= Q160), D313 (= D303), E341 (= E331), R344 (= R334), H385 (= H377), R386 (= R378)
binding shikimate-3-phosphate: K22 (= K25), S23 (= S26), R27 (= R30), T97 (= T84), S169 (= S158), S170 (= S159), Q171 (= Q160), S197 (= S186), Y200 (= Y189), D313 (= D303), N336 (≠ T326), K340 (= K330)

P0A6D3 3-phosphoshikimate 1-carboxyvinyltransferase; 5-enolpyruvylshikimate-3-phosphate synthase; EPSP synthase; EPSPS; EC 2.5.1.19 from Escherichia coli (strain K12) (see 8 papers)
32% identity, 95% coverage: 14:414/422 of query aligns to 11:422/427 of P0A6D3

query
sites
P0A6D3

N

R

I

V

N

D

T

G

E

T

I

I

Q

N

L

L

T

P

G

G

S

S

K
|
K

S
|
S

E

V

C

S

N

N

R
|
R

A

A

L

L

I

L

S

A

A

A

L

L

S

A

K

H

K

G

L

K

V

T

K

V

V

L

E

T

N

N

L

L

S

L

N

D

A

S

A

D

D

D

T

V

V

R

T

H

L

M

N

L

G

N

I

A

L

L

N

T

N

A

L

L

E

G

E

V

E

S

L

Y

E

T

V

L

E

S

I

A

Q

D

E

R

S

T

K

R

T

C

-

E

-

I

-

G

-

N

-

G

-

P

-

L

-

H

-

A

-

E

-

G

-

A

-

L

-

E

V

L

D

F

V

L

G

G

P
x
N

A
|
A

G
|
G

T
|
T

A

A

M

M

R

R

F
x
P

L

L

S

A

A

A

Y

A

L

L

S

C

A

L

K

G

N

S

G

N

N

D

F

I

L

V

L

L

T

T

G

G

T

E

E

P

R

R

M

M

K

K

Q

E

R
|
R

P

P

I

I

G

G

I

H

L

L

A

V

E

D

A

A

L

L

K

R

T

L

I

G

G

G

A

A

D

K

I

I

S

T

Y

Y

A

L

E

E

A

Q

E

E

G

N

F

Y

P

P

L

L

N

R

I

L

V

Q

G

G

P

G

L

F

N

T

Q

G

K

-

T

-

A

G

E

N

V

V

K

D

I

V

K

D

G

G

D

S

I

V

S
|
S

Q
|
Q

Y

F

I

L

S

T

A

A

L

L

M

M

I

T

A

A

P

P

I

L

L

A

P

P

Q

E

G

D

L

T

T

V

L

I

E

R

I

I

E

K

G

G

E

D

L

L

T

V

S
|
S

K

K

P

P

Y

Y

V

I

D

D

M

I

T

T

L

L

D

N

M

L

L

M

A

K

E

T

V

F

G

G

I

V

A

E

-

I

H

E

S

N

W

Q

N

H

G

Y

N

Q

S

Q

I

F

S

V

I

V

K

K

-

G

P

G

Q

Q

A

S

F

Y

K

Q

-

S

P

P

G

G

T

T

L

Y

V

L

V

V

E

E

P

G

D

D

W

A

S

S

A

S

A

A

S

S

Y

Y

W

F

Y

L

S

A

I

A

A

A

L

I

A

K

D

G

E

-

A

G

E

T

I

V

S

K

L

V

P

T

A

G

L

I

K

G

E

R

K

N

S

S

L

M

Q

Q

G

G

D

D

S

I

Q

R

I

F

K

A

N

D

I

V

M

L

K

E

I

K

F

M

G

G

I

A

A

T

T

I

S

C

K

W

T

G

D

D

N

D

G

Y

I

I

A

S

I

C

S

T

N

R

L

G

G

E

L

L

-

N

S

A

L

I

D

D

T

-

K

-

E

-

V

-

L

M

D

D

L

M

K

N

T

H

C

I

P

P

D
|
D

L

A

A

A

Q

M

T

T

I

I

V

A

V

T

I

A

A

A

A

L

A

F

L

A

G

K

K

G

N

T

M

T

A

T

F

L

T

R

G

N

L

I

E

Y

T
x
N

L

W

K

R

I

V

K
|
K

E
|
E

T

T

D

D

R
|
R

I

L

A

F

A

A

L

M

Q

A

N

T

E

E

L

L

A

R

K

K

I

V

G

G

V

A

T

E

L

V

T

E

E

E

-

G

D

H

N

D

L

Y

V

I

Y

R

T

I

L

T

N

P

T

P

D

E

N

K

L

L

H

N

F

F

P

A

D

E

K

-

I

-

T

-

I

I

A

A

T

T

Y

Y

E

N

D

D

H

H

R
|
R

M

M

A

A

M

M

A

C

F

F

A

S

P

L

L

V

A

A

L

L

L

S

I

D

N

T

E

P

V

V

E

T

I

I

E

L

E

D

M

P

Q

K

V
x
C

V

T

E

A

K
|
K

S

T

Y

F

P

P

Y

D

Y

Y

W

F

E

E

D

Q

L

L

K

A

K

R

KS 22:23 (= KS 25:26) binding
R27 (= R30) binding
NAGT 94:97 (≠ PAGT 81:84) Phosphoenolpyruvate
G96 (= G83) mutation to A: Insensitive to glyphosate with unaltered affinity for its first substrate S3P, but displays a 30-fold lower affinity for its second substrate PEP.
T97 (= T84) mutation to I: This mutant is sensitive to glyphosate and causes a substantial decrease in the affinity for PEP. Insensitive to glyphosate but maintains high affinity for PEP. It causes a shift of residue G96 toward the glyphosate binding site, impairing efficient binding of glyphosate, while the side chain of I97 points away from the substrate binding site, facilitating PEP utilization; when associated with S-101.
P101 (≠ F88) mutation to A: Displays a slight decrease of the affinity binding for both S3P and PEP. Decreases the binding affinity of glyphosate, reducing the potency of this inhibitor.; mutation to G: Displays a slight decrease of the affinity binding for both S3P and PEP. Decreases the binding affinity of glyphosate, reducing the potency of this inhibitor.; mutation to L: Displays a 2-fold lower affinity binding for both S3P and PEP. Decreases the binding affinity of glyphosate, reducing the potency of this inhibitor.; mutation to S: Displays a slight decrease of the affinity binding for both S3P and PEP. Decreases the binding affinity of glyphosate, reducing the potency of this inhibitor. Insensitive to glyphosate but maintains high affinity for PEP. It causes a shift of residue G96 toward the glyphosate binding site, impairing efficient binding of glyphosate, while the side chain of I97 points away from the substrate-binding site, facilitating PEP utilization; when associated with I-97.
R124 (= R111) binding
SSQ 169:171 (= SSQ 158:160) binding
S197 (= S186) binding
D313 (= D303) active site, Proton acceptor; mutation to A: The enolpyruvyl transfer reaction is halted after formation of the tetrahedral adduct of the substrates.
N336 (≠ T326) binding
K340 (= K330) binding
E341 (= E331) active site, Proton donor
R344 (= R334) binding
R386 (= R378) binding
C408 (≠ V400) Modified by bromopyruvate
K411 (= K403) Modified by bromopyruvate; binding

7tm6A Crystal structure of shikimate-3-phosphate and glyphosate bound 3- phosphoshikimate 1-carboxyvinyltransferase from klebsiella pneumoniae
33% identity, 94% coverage: 19:414/422 of query aligns to 15:421/426 of 7tm6A

query
sites
7tm6A

I

V

Q

N

L

L

T

P

G

G

S

S

K
|
K

S
|
S

E

V

C

S

N

N

R
|
R

A

A

L

L

I

L

S

A

A

A

L

L

S

A

K

R

K

G

L

T

V

T

K

V

V

L

E

T

N

N

L

L

S

L

N

D

A

S

A

D

D

D

T

V

V

R

T

H

L

M

N

L

G

N

I

A

L

L

N

S

N

A

L

L

E

G

E

V

E

Q

L

Y

E

T

V

L

E

S

I

A

Q

D

E

R

S

T

K

R

-

C

-

E

-

V

T

T

V

G

D

N

V

G

G

G

P

P

-

L

-

R

-

S

-

A

-

L

-

E

-

L

-

F

-

L

-

G

-

N

A

A

G
|
G

T
|
T

A

A

M

M

R

R

F

P

L

L

S

A

A

A

Y

A

L

L

S

C

A

L

K

G

N

S

G

N

N

D

F

I

L

V

L

L

T

T

G

G

T

E

E

P

R

R

M

M

K

K

Q

E

R
|
R

P

P

I

I

G

G

I

H

L

L

A

V

E

D

A

A

L

L

K

R

T

Q

I

G

G

G

A

A

D

Q

I

I

S

D

Y

C

A

L

E

E

A

Q

E

E

G

N

F

Y

P

P

L

L

N

R

I

L

V

R

G

G

P

G

L

F

N

-

Q

-

K

Q

T

G

A

G

E

N

V

V

K

E

I

V

K

D

G

G

D

S

I

V

S
|
S

Q
|
Q

Y

F

I

L

S

T

A

A

L

L

M

M

I

T

A

A

P

P

I

L

L

A

P

P

Q

Q

G

D

L

T

T

V

L

I

E

V

I

I

E

K

G

G

E

D

L

L

T

V

S
|
S

K

K

P

P

Y
|
Y

V

I

D

D

M

I

T

T

L

L

D

H

M

L

L

M

A

K

E

T

V

F

G

G

I

V

A

E

-

V

-

D

-

N

H

Q

S

S

W

Y

N

Q

G

R

N

F

S

V

I

V

S

R

I

G

K

K

P

Q

Q

Q

A

Y

F

Q

K

S

P

P

G

G

T

D

L

Y

V

L

V

V

E

E

P

G

D

D

W

A

S

S

A

S

A

A

S

S

Y

Y

W

F

Y

L

S

A

I

A

A

G

A

A

L

I

A

K

D

G

E

-

A

G

E

T

I

V

S

K

L

V

P

T

A

G

L

I

K

G

E

R

K

N

S

S

L

V

Q

Q

G

G

D

D

S

I

Q

R

I

F

K

A

N

D

I

V

M

L

K

E

I

K

F

M

G

G

I

A

A

T

T

V

S

T

K

W

T

G

D

D

N

D

G

F

I

I

A

A

I

C

S

T

N

H

L

G

G

E

L

L

S

-

L

-

D

-

T

-

K

K

E

A

V

V

-

D

L

M

D

D

L

M

K

N

T

H

C

I

P

P

D
|
D

L

A

A

A

Q

M

T

T

I

I

V

A

V

T

I

A

A

A

A

L

A

F

L

A

G

Q

K

G

N

T

M

T

A

T

F

L

T

R

G

N

L

I

E

Y

T
x
N

L

W

K

R

I

V

K
|
K

E
|
E

T

T

D

D

R
|
R

I

L

A

F

A

A

L

M

Q

A

N

T

E

E

L

L

A

R

K

K

I

V

G

G

V

A

T

E

L

V

T

E

E

E

-

G

D

E

N

D

L

Y

V

I

Y

R

T

I

L

T

N

P

T

P

D

A

N

K

L

L

H

K

F

Y

P

A

D

E

K

-

I

-

T

-

I

I

A

G

T

T

Y

Y

E

N

D

D

H
|
H

R
|
R

M

M

A

A

M

M

A

C

F

F

A

S

P

L

L

V

A

A

L

L

L

S

I

D

N

T

E

P

V

V

E

T

I

I

E

L

E

D

M

P

Q

K

V

C

V

T

E

A

K

K

S

T

Y

F

P

P

Y

D

Y

Y

W

F

E

E

D

Q

L

L

K

A

K

R

binding glyphosate: K21 (= K25), G95 (= G83), R123 (= R111), Q170 (= Q160), D312 (= D303), E340 (= E331), R343 (= R334), H384 (= H377), R385 (= R378)
binding shikimate-3-phosphate: S22 (= S26), R26 (= R30), T96 (= T84), S168 (= S158), S169 (= S159), Q170 (= Q160), S196 (= S186), Y199 (= Y189), D312 (= D303), N335 (≠ T326), K339 (= K330)

7tm5B Crystal structure of shikimate-3-phosphate bound 3-phosphoshikimate 1- carboxyvinyltransferase from klebsiella pneumoniae
33% identity, 94% coverage: 19:414/422 of query aligns to 16:422/427 of 7tm5B

query
sites
7tm5B

I

V

Q

N

L

L

T

P

G

G

S

S

K
|
K

S
|
S

E

V

C

S

N

N

R
|
R

A

A

L

L

I

L

S

A

A

A

L

L

S

A

K

R

K

G

L

T

V

T

K

V

V

L

E

T

N

N

L

L

S

L

N

D

A

S

A

D

D

D

T

V

V

R

T

H

L

M

N

L

G

N

I

A

L

L

N

S

N

A

L

L

E

G

E

V

E

Q

L

Y

E

T

V

L

E

S

I

A

Q

D

E

R

S

T

K

R

-

C

-

E

-

V

T

T

V

G

D

N

V

G

G

G

P

P

-

L

-

R

-

S

-

A

-

L

-

E

-

L

-

F

-

L

-

G

-

N

A

A

G

G

T

T

A

A

M

M

R

R

F

P

L

L

S

A

A

A

Y

A

L

L

S

C

A

L

K

G

N

S

G

N

N

D

F

I

L

V

L

L

T

T

G

G

T

E

E

P

R

R

M

M

K

K

Q

E

R

R

P

P

I

I

G

G

I

H

L

L

A

V

E

D

A

A

L

L

K

R

T

Q

I

G

G

G

A

A

D

Q

I

I

S

D

Y

C

A

L

E

E

A

Q

E

E

G

N

F

Y

P

P

L

L

N

R

I

L

V

R

G

G

P

G

L

F

N

-

Q

-

K

Q

T

G

A

G

E

N

V

V

K

E

I

V

K

D

G

G

D

S

I

V

S
|
S

Q
|
Q

Y

F

I

L

S

T

A

A

L

L

M

M

I

T

A

A

P

P

I

L

L

A

P

P

Q

Q

G

D

L

T

T

V

L

I

E

V

I

I

E

K

G

G

E

D

L

L

T

V

S
|
S

K

K

P

P

Y
|
Y

V

I

D

D

M

I

T

T

L

L

D

H

M

L

L

M

A

K

E

T

V

F

G

G

I

V

A

E

-

V

-

D

-

N

H

Q

S

S

W

Y

N

Q

G

R

N

F

S

V

I

V

S

R

I

G

K

K

P

Q

Q

Q

A

Y

F

Q

K

S

P

P

G

G

T

D

L

Y

V

L

V

V

E

E

P

G

D

D

W

A

S

S

A

S

A

A

S

S

Y

Y

W

F

Y

L

S

A

I

A

A

G

A

A

L

I

A

K

D

G

E

-

A

G

E

T

I

V

S

K

L

V

P

T

A

G

L

I

K

G

E

R

K

N

S

S

L

V

Q

Q

G

G

D

D

S

I

Q

R

I

F

K

A

N

D

I

V

M

L

K

E

I

K

F

M

G

G

I

A

A

T

T

V

S

T

K

W

T

G

D

D

N

D

G

F

I

I

A

A

I

C

S

T

N

H

L

G

G

E

L

L

S

-

L

-

D

-

T

-

K

K

E

A

V

V

-

D

L

M

D

D

L

M

K

N

T

H

C

I

P

P

D
|
D

L

A

A

A

Q

M

T

T

I

I

V

A

V

T

I

A

A

A

A

L

A

F

L

A

G

Q

K

G

N

T

M

T

A

T

F

L

T

R

G

N

L

I

E

Y

T
x
N

L

W

K

R

I

V

K
|
K

E

E

T

T

D

D

R

R

I

L

A

F

A

A

L

M

Q

A

N

T

E

E

L

L

A

R

K

K

I

V

G

G

V

A

T

E

L

V

T

E

E

E

-

G

D

E

N

D

L

Y

V

I

Y

R

T

I

L

T

N

P

T

P

D

A

N

K

L

L

H

K

F

Y

P

A

D

E

K

-

I

-

T

-

I

I

A

G

T

T

Y

Y

E

N

D

D

H

H

R

R

M

M

A

A

M

M

A

C

F

F

A

S

P

L

L

V

A

A

L

L

L

S

I

D

N

T

E

P

V

V

E

T

I

I

E

L

E

D

M

P

Q

K

V

C

V

T

E

A

K

K

S

T

Y

F

P

P

Y

D

Y

Y

W

F

E

E

D

Q

L

L

K

A

K

R

binding shikimate-3-phosphate: K22 (= K25), S23 (= S26), R27 (= R30), S169 (= S158), S170 (= S159), Q171 (= Q160), S197 (= S186), Y200 (= Y189), D313 (= D303), N336 (≠ T326), K340 (= K330)

3fjzA E. Coli epsp synthase (t97i) liganded with s3p and glyphosate (see paper)
32% identity, 95% coverage: 14:414/422 of query aligns to 11:422/427 of 3fjzA

query
sites
3fjzA

N

R

I

V

N

D

T

G

E

T

I

I

Q

N

L

L

T

P

G

G

S

S

K
|
K

S
|
S

E

V

C

S

N

N

R
|
R

A

A

L

L

I

L

S

A

A

A

L

L

S

A

K

H

K

G

L

K

V

T

K

V

V

L

E

T

N

N

L

L

S

L

N

D

A

S

A

D

D
|
D

T

V

V

R

T

H

L

M

N

L

G

N

I

A

L

L

N

T

N

A

L

L

E

G

E

V

E

S

L

Y

E

T

V

L

E

S

I

A

Q

D

E

R

S

T

K

R

T

C

-

E

-

I

-

G

-

N

-

G

-

P

-

L

-

H

-

A

-

E

-

G

-

A

-

L

-

E

V

L

D

F

V

L

G

G

P
x
N

A

A

G
|
G

T
x
I

A

A

M

M

R

R

F

P

L

L

S

A

A

A

Y

A

L

L

S

C

A

L

K

G

N

S

G

N

N

D

F

I

L

V

L

L

T

T

G

G

T

E

E
x
P

R

R

M

M

K

K

Q

E

R
|
R

P

P

I

I

G

G

I

H

L

L

A

V

E

D

A

A

L

L

K

R

T

L

I

G

G

G

A

A

D

K

I

I

S

T

Y

Y

A

L

E

E

A

Q

E

E

G

N

F

Y

P

P

L

L

N

R

I

L

V

Q

G

G

P

G

L

F

N

T

Q

G

K

-

T

-

A

G

E

N

V

V

K

D

I

V

K

D

G

G

D

S

I

V

S
|
S

Q
|
Q

Y

F

I

L

S

T

A

A

L

L

M

M

I

T

A

A

P

P

I

L

L

A

P

P

Q

E

G

D

L

T

T

V

L

I

E

R

I

I

E

K

G

G

E

D

L

L

T

V

S
|
S

K

K

P

P

Y
|
Y

V

I

D

D

M

I

T

T

L

L

D

N

M

L

L

M

A

K

E

T

V

F

G

G

I

V

A

E

-

I

H

E

S

N

W

Q

N

H

G

Y

N

Q

S

Q

I

F

S

V

I

V

K

K

-

G

P

G

Q

Q

A

S

F

Y

K

Q

-

S

P

P

G

G

T

T

L

Y

V

L

V

V

E

E

P

G

D

D

W

A

S

S

A

S

A

A

S

S

Y

Y

W

F

Y

L

S

A

I

A

A

A

L

I

A

K

D

G

E

-

A

G

E

T

I

V

S

K

L

V

P

T

A

G

L
x
I

K
x
G

E

R

K

N

S
|
S

L

M

Q

Q

G

G

D

D

S

I

Q

R

I

F

K

A

N

D

I

V

M

L

K

E

I

K

F

M

G

G

I

A

A

T

T

I

S

C

K

W

T

G

D

D

N

D

G

Y

I

I

A

S

I

C

S

T

N

R

L

G

G

E

L

L

-

N

S

A

L

I

D

D

T

-

K

-

E

-

V

-

L

M

D

D

L

M

K

N

T

H

C

I

P

P

D
|
D

L

A

A

A

Q

M

T

T

I

I

V

A

V

T

I

A

A

A

A

L

A

F

L

A

G

K

K

G

N

T

M

T

A

T

F

L

T

R

G

N

L

I

E

Y

T
x
N

L

W

K

R

I

V

K
|
K

E
|
E

T

T

D

D

R
|
R

I

L

A

F

A

A

L

M

Q

A

N

T

E

E

L

L

A

R

K

K

I

V

G

G

V

A

T

E

L

V

T

E

E

E

-

G

D

H

N

D

L

Y

V

I

Y

R

T

I

L

T

N

P

T

P

D

E

N

K

L

L

H

N

F

F

P

A

D

E

K

-

I

-

T

-

I

I

A

A

T

T

Y

Y

E

N

D

D

H
|
H

R
|
R

M

M

A

A

M

M

A

C

F

F

A

S

P

L

L

V

A

A

L

L

L

S

I

D

N

T

E

P

V

V

E

T

I

I

E

L

E

D

M

P

Q

K

V

C

V

T

E

A

K
|
K

S

T

Y

F

P

P

Y

D

Y

Y

W

F

E

E

D

Q

L

L

K

A

K

R

active site: K22 (= K25), S23 (= S26), D49 (= D52), N94 (≠ P81), P119 (≠ E106), R124 (= R111), D313 (= D303), E341 (= E331), H385 (= H377), R386 (= R378), K411 (= K403)
binding N-(phosphonomethyl)glycine: K22 (= K25), G96 (= G83), R124 (= R111), Q171 (= Q160), D313 (= D303), E341 (= E331), R344 (= R334), H385 (= H377), R386 (= R378)
binding shikimate-3-phosphate: K22 (= K25), S23 (= S26), R27 (= R30), I97 (≠ T84), S169 (= S158), S170 (= S159), Q171 (= Q160), S197 (= S186), Y200 (= Y189), D313 (= D303), N336 (≠ T326), K340 (= K330)
binding serine: I265 (≠ L252), G266 (≠ K253), S269 (= S256)

1q36A Epsp synthase (asp313ala) liganded with tetrahedral reaction intermediate (see paper)
32% identity, 95% coverage: 14:414/422 of query aligns to 11:422/427 of 1q36A

query
sites
1q36A

N

R

I

V

N

D

T

G

E

T

I

I

Q

N

L

L

T

P

G

G

S

S

K
|
K

S
|
S

E

V

C

S

N

N

R
|
R

A

A

L

L

I

L

S

A

A

A

L

L

S

A

K

H

K

G

L

K

V

T

K

V

V

L

E

T

N

N

L

L

S

L

N

D

A

S

A

D

D
|
D

T

V

V

R

T

H

L

M

N

L

G

N

I

A

L

L

N

T

N

A

L

L

E

G

E

V

E

S

L

Y

E

T

V

L

E

S

I

A

Q

D

E

R

S

T

K

R

T

C

-

E

-

I

-

G

-

N

-

G

-

P

-

L

-

H

-

A

-

E

-

G

-

A

-

L

-

E

V

L

D

F

V

L

G

G

P
x
N

A

A

G
|
G

T
|
T

A

A

M

M

R

R

F

P

L

L

S

A

A

A

Y

A

L

L

S

C

A

L

K

G

N

S

G

N

N

D

F

I

L

V

L

L

T

T

G

G

T

E

E
x
P

R

R

M

M

K

K

Q

E

R
|
R

P

P

I

I

G

G

I

H

L

L

A

V

E

D

A

A

L

L

K

R

T

L

I

G

G

G

A

A

D

K

I

I

S

T

Y

Y

A

L

E

E

A

Q

E

E

G

N

F

Y

P

P

L

L

N

R

I

L

V

Q

G

G

P

G

L

F

N

T

Q

G

K

-

T

-

A

G

E

N

V

V

K

D

I

V

K

D

G

G

D

S

I

V

S
|
S

Q
|
Q

Y

F

I

L

S

T

A

A

L

L

M

M

I

T

A

A

P

P

I

L

L

A

P

P

Q

E

G

D

L

T

T

V

L

I

E

R

I

I

E

K

G

G

E

D

L

L

T

V

S
|
S

K

K

P

P

Y
|
Y

V

I

D

D

M

I

T

T

L

L

D

N

M

L

L

M

A

K

E

T

V

F

G

G

I

V

A

E

-

I

H

E

S

N

W

Q

N

H

G

Y

N

Q

S

Q

I

F

S

V

I

V

K

K

-

G

P

G

Q

Q

A

S

F

Y

K

Q

-

S

P

P

G

G

T

T

L

Y

V

L

V

V

E

E

P

G

D

D

W

A

S

S

A

S

A

A

S

S

Y

Y

W

F

Y

L

S

A

I

A

A

A

L

I

A

K

D

G

E

-

A

G

E

T

I

V

S

K

L

V

P

T

A

G

L

I

K

G

E

R

K

N

S

S

L

M

Q

Q

G

G

D

D

S

I

Q

R

I

F

K

A

N

D

I

V

M

L

K

E

I

K

F

M

G

G

I

A

A

T

T

I

S

C

K

W

T

G

D

D

N

D

G

Y

I

I

A

S

I

C

S

T

N

R

L

G

G

E

L

L

-

N

S

A

L

I

D

D

T

-

K

-

E

-

V

-

L

M

D

D

L

M

K

N

T

H

C

I

P

P

D
x
A

L

A

A

A

Q

M

T

T

I

I

V

A

V

T

I

A

A

A

A

L

A

F

L

A

G

K

K

G

N

T

M

T

A

T

F

L

T

R

G

N

L

I

E

Y

T
x
N

L

W

K

R

I

V

K
|
K

E
|
E

T

T

D

D

R
|
R

I

L

A

F

A

A

L

M

Q

A

N

T

E

E

L

L

A

R

K

K

I

V

G

G

V

A

T

E

L

V

T

E

E

E

-

G

D

H

N

D

L

Y

V

I

Y

R

T

I

L

T

N

P

T

P

D

E

N

K

L

L

H

N

F

F

P

A

D

E

K

-

I

-

T

-

I

I

A

A

T

T

Y

Y

E

N

D

D

H
|
H

R
|
R

M

M

A

A

M

M

A

C

F

F

A

S

P

L

L

V

A

A

L

L

L

S

I

D

N

T

E

P

V

V

E

T

I

I

E

L

E

D

M

P

Q

K

V

C

V

T

E

A

K
|
K

S

T

Y

F

P

P

Y

D

Y

Y

W

F

E

E

D

Q

L

L

K

A

K

R

active site: K22 (= K25), S23 (= S26), D49 (= D52), N94 (≠ P81), P119 (≠ E106), R124 (= R111), A313 (≠ D303), E341 (= E331), H385 (= H377), R386 (= R378), K411 (= K403)
binding 5-(1-carboxy-1-phosphonooxy-ethoxyl)-4-hydroxy-3-phosphonooxy-cyclohex-1-enecarboxylic acid: K22 (= K25), S23 (= S26), R27 (= R30), G96 (= G83), T97 (= T84), R124 (= R111), S169 (= S158), S170 (= S159), Q171 (= Q160), S197 (= S186), Y200 (= Y189), N336 (≠ T326), K340 (= K330), E341 (= E331), R344 (= R334), R386 (= R378), K411 (= K403)

P11043 3-phosphoshikimate 1-carboxyvinyltransferase, chloroplastic; 5-enolpyruvylshikimate-3-phosphate synthase; EPSP synthase; EC 2.5.1.19 from Petunia hybrida (Petunia) (see paper)
32% identity, 95% coverage: 13:414/422 of query aligns to 83:512/516 of P11043

query
sites
P11043

K

K

N

E

I

I

N

S

T

G

E

T

I

V

Q

K

L

L

T

P

G

G

S

S

K

K

S

S

E

L

C

S

N

N

R

R

A

I

L

L

I

L

S

A

A

A

L

L

S

S

K

E

K

G

L

T

V

T

K

V

V

V

E

D

N

N

L

L

S

L

N

S

A

S

A

D

D

D

T

I

V

H

T

Y

L

M

N

L

G

G

I

A

L

L

N

K

N

T

L

L

E

G

E

L

E

H

L

V

E

E

-

E

-

D

-

S

-

A

-

N

-

Q

-

R

-

A

-

V

-

E

-

G

-

C

-

G

-

L

-

F

-

P

-

V

-

G

V

K

E

E

I

S

Q

K

E

E

S

E

K

I

T

Q

V

L

D

F

V

L

G

G

P

N

A

A

G
|
G

T

T

A

A

M

M

R

R

F

P

L

L

S

T

A

A

Y

A

L

V

S

T

A

V

K

A

N

G

G

G

N

N

-

S

-

R

F

Y

L

V

L

L

T

D

G

G

T

V

E

P

R

R

M

M

K

R

Q

E

R

R

P

P

I

I

G

S

I

D

L

L

A

V

E

D

A

G

L

L

K

K

T

Q

I

L

G

G

A

A

D

E

I

V

S

D

Y

C

A

F

E

L

A

G

E

T

G

K

F

C

P

P

L

V

N

R

I

I

V

V

G

S

P

K

L

G

N

G

Q

L

K

P

T

G

A

G

E

K

V

V

K

K

I

L

K

S

G

G

D

S

I

I

S

S

Q

Q

Y

Y

I

L

S

T

A

A

L

L

M

M

I

A

A

A

P

P

I

L

L

A

P

L

Q

G

G

D

L

V

T

E

L

I

E

E

I

I

E

I

G

D

E

K

L

L

T

I

S

S

K

V

P

P

Y

Y

V

V

D

E

M

M

T

T

L

L

D

K

M

L

L

M

A

E

E

R

V

F

G

G

I

I

A

S

-

V

-

E

H

H

S

S

W

S

N

S

G

W

N

D

S

R

I

F

S

F

I

V

K

R

-

G

P

G

Q

Q

A

K

F

Y

K

K

-

S

P

P

G

G

T

K

L

A

V

F

V

V

E

E

P

G

D

D

W

A

S

S

A

S

A

A

S

S

Y

Y

W

F

Y

L

S

A

I

G

A

A

L

V

A

T

D

G

E

-

A

G

E

T

I

I

S

T

L

V

P

E

A

G

L

C

K

G

E

T

K

N

S

S

L

L

Q

Q

G

G

D

D

S

V

Q

K

I

F

K

A

N

E

I

V

M

L

K

E

I

K

F

M

G

G

I

A

A

E

T

V

S

T

K

W

T

T

D

E

N

N

G

S

I

V

A

T

I

V

S

K

N

G

L

P

G

P

L

R

S

S

L

S

D

S

T

G

K

R

E

K

V

H

L

L

-

R

-

A

-

I

-

D

-

V

D

N

L

M

K

N

T

K

C

M

P

P

D

D

L

V

A

A

Q

M

T

T

I

L

V

A

V

V

I

V

A

A

A

L

A

Y

L

A

G

D

K

G

N

P

M

T

A

A

F

I

T

R

G

D

L

V

E

A

T

S

L

W

K

R

I

V

K

K

E

E

T

T

D

E

R

R

I

M

A

I

A

A

L

I

Q

C

N

T

E

E

L

L

A

R

K

K

I

L

G

G

V

A

T

T

L

V

T

-

E

E

D

E

N

G

L

P

V

D

Y

Y

T

C

L

I

N

I

T

T

D

P

N

-

L

-

H

-

F

-

P

P

D

E

K

K

I

L

T

N

I

V

A

T

-

D

-

I

-

D

T

T

Y

Y

E

D

D

D

H

H

R

R

M

M

A

A

M

M

A

A

F

F

A

S

P

L

L

A

A

A

L

C

L

A

I

D

N

V

E

P

V

V

E

T

I

I

E

N

E

D

M

P

Q

G

V

C

V

T

E

R

K

K

S

T

Y

F

P

P

Y

N

Y

Y

W

F

E

D

D

V

L

L

K

Q

G173 (= G83) mutation to A: Resistance to glyphosate due to a lower affinity. Slight reduction in EPSP synthase activity.

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)
32% identity, 93% coverage: 23:414/422 of query aligns to 413:838/1583 of P07547

query
sites
P07547

G

G

S

S

K

K

S

S

E

I

C

S

N

N

R

R

A

A

L

L

I

V

I

L

S

A

A

A

L

L

S

G

K

S

K

G

L

T

V

C

K

R

V

I

E

K

N

N

L

L

S

L

N

H

A

S

A

D

D

D

T

T

V

E

T

V

L

M

N

L

G

N

I

A

L

L

N

E

N

R

L

L

-

G

-

A

-

T

-

F

-

S

-

W

E

E

L

G

E

E

V

V

E

L

I

V

-

V

-

N

-

G

-

K

-

G

-

N

-

L

-

Q

Q

A

E

S

S

S

K

S

T

P

V

L

D

Y

V

L

G

G

P

N

A

A

G

G

T

T

A

A

M

S

R

R

F

F

L

L

S

T

A

T

Y

V

L

A

S

T

A

L

K

A

N

N

G

S

N

S

F

T

L

V

-

D

-

S

-

V

L

L

T

T

G

G

T

N

E

N

R

R

M

M

K

K

Q

Q

R

R

P

P

I

I

G

G

I

D

L

L

A

V

E

D

A

A

L

L

K

T

T

A

I

N

G

G

A

A

D

S

I

I

S

E

Y

Y

A

V

E

E

A

R

E

T

G

G

F

S

P

L

P

P

L

L

N

K

I

I

V

A

G

A

P

S

L

G

N

G

Q

F

K

A

T

G

A

G

E

N

V

I

K

N

I

L

K

A

G

A

D

K

I

V

S

S

Q

Q

Y

Y

I

V

S

S

A

S

L

L

M

M

I

C

A

A

P

P

I

Y

L

A

P

K

Q

E

G

P

L

V

T

T

L

L

E

R

-

L

I

V

E

G

G

G

E

K

L

P

T

I

S

S

K

Q

P

P

Y

Y

V

I

D

D

M

M

T

T

L

T

D

A

M

M

L

M

A

R

E

S

V

F

G

G

I

I

-

D

-

V

-

Q

-

K

-

S

-

T

-

E

A

E

H

H

S

T

W

Y

N

H

G

-

N

-

S

-

I

-

S

-

I

-

K

I

P

P

Q

Q

A

G

-

R

-

Y

F

V

K

N

P

P

G

A

T

E

L

Y

V

V

V

I

E

E

P

S

D

D

W

A

S

S

A

S

A

A

S

T

Y

Y

W

P

Y

L

S

A

I

V

A

A

L

V

A

T

D

G

E

-

A

T

E

T

I

C

S

T

L

V

P

P

A

N

L

I

K

G

E

S

K

A

S

S

L

L

Q

Q

G

G

D

D

S

A

Q

R

I

F

K

A

-

V

N

E

I

V

M

L

K

R

I

P

F

M

G

G

I

C

A

T

T

V

S

E

K

Q

T

T

D

E

N

T

G

S

I

T

A

T

I

V

S

T

N

G

L

P

G

S

L

D

S

G

-

I

L

L

D

R

T

P

K

L

E

P

V

N

L

V

D

D

L

M

K

E

T

P

C

M

P

T

D

D

L

A

A

F

Q

L

T

G

I

A

V

S

V

V

I

L

A

A

-

I

A

A

L

R

G

G

K

K

N

E

M

S

A

N

F

H

T

T

-

T

-

R

-

I

-

Y

G

G

L

I

E

A

T

N

L

Q

K

R

I

V

K

K

E

E

T

C

D

N

R

R

I

I

A

K

A

A

L

M

Q

K

N

D

E

E

L

L

A

A

K

K

I

F

G

G

V

V

T

I

L

C

T

R

E

E

-

H

-

D

D

D

N

G

L

L

-

E

V

I

Y

D

T

G

L

I

N

D

T

R

D

S

N

N

L

L

H

R

F

Q

P

P

D

V

K

G

I

-

T

G

I

V

A

F

T

C

Y

Y

E

D

D

D

H

H

R

R

M

V

A

A

M

F

A

S

F

F

A

S

P

V

L

L

A

S

L

L

L

V

I

T

N

P

E

Q

V

P

E

T

-

L

I

I

E

L

E

E

M

K

Q

E

V

C

V

V

E

G

K

K

S

T

Y

W

P

P

Y

G

Y

W

W

W

E

D

D

T

L

L

K

R

K

Q

Sites not aligning to the query:

44:46 binding
81:84 binding
114:116 binding
119 binding
139:140 binding
161 binding
179:182 binding
190 binding
194 binding
271 binding
287 binding

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, 93% coverage: 23:413/422 of query aligns to 22:442/450 of 7tbuA

query
sites
7tbuA

G

G

S

S

K

K

S
|
S

E

I

C

S

N

N

R
|
R

A

A

L

L

I

I

I

L

S

A

A

A

L

L

S

G

K

N

K

G

L

T

V

V

K

R

V

V

E

K

N

N

L

L

S

L

N

H

A

S

A

D

D

D

T

T

-

K

-

H

-

M

-

L

-

D

-

A

-

V

V

A

T

S

L

L

N

K

G

G

I

A

L

E

N

I

N

S

L

T

E

E

E

D

E

N

L

G

E

E

V

T

-

I

-

V

-

K

-

G

-

N

-

G

-

N

E

L

I

V

Q

T

E

S

S

G

K

E

T

E

V

L

D

Y

V

L

G

G

P

N

A

A

G

G

T

T

A

A

M

S

R

R

F

F

L

L

S

T

A

T

Y

V

L

A

S

S

-

L

-

V

-

G

-

K

-

S

A

Q

K

A

N

S

G

D

N

D

F

V

L

I

L

L

T

T

G

G

T

N

E

A

R

R

M

M

K

Q

Q

E

R

R

P

P

I

I

G

G

I

P

L

L

A

V

E

D

A

A

L

L

K

R

T

S

I

N

G

G

A

S

D

E

I

I

S

E

Y

Y

A

L

E

N

A

K

E

Q

G

G

F

S

P

L

P

P

L

L

N

K

I

I

V

S

G

A

P

G

L

N

N

G

Q

L

K

K

T

G

A

G

E

R

V

I

K

E

I

L

K

A

G

A

D

T

I

I

S
|
S

Q
|
Q

Y

Y

I

V

S

S

A

S

L

I

L

L

M

M

I

C

A

A

P

P

I

Y

L

A

P

K

Q

E

G

P

L

V

T

T

L

L

E

A

-

L

I

V

E

G

G

G

E

K

L

P

T

I

S
|
S

K

Q

P

L

Y
|
Y

V

I

D

D

M

M

T

T

L

C

D

A

M

M

L

M

A

K

E

S

V

F

G

G

I

I

A

E

H

V

S

T

W

K

N

S

G

T

N

T

-

E

-

Y

S

T

I

Y

S

H

I

I

K

P

P

K

Q

G

A

T

F

Y

K

K

-

N

P

P

G

S

T

E

L

Y

V

V

V

I

E

E

P

S

D

D

W

A

S

S

A

S

A

A

S

T

Y

Y

W

P

Y

L

S

A

I

F

A

A

L

M

A

T

D

G

E

T

A

S

E

-

I

C

S

T

L

I

P

P

A

N

L

I

K

G

E

S

K

S

S

S

L

L

Q

Q

G

G

D

D

S

A

Q

K

I

F

K

A

-

V

N

D

I

V

M

L

K

K

I

P

F

M

G

G

I

C

A

K

T

V

S

E

K

Q

T

T

D

T

N

T

G

S

I

T

A

T

I

V

S

T

N

G

L

P

G

P

L

R

S

G

-

H

L

L

D

K

T

P

K

L

E

P

V

H

L

V

D

D

L

M

K

E

T

P

C

M

P

T

D

D

-

A

-

F

L

L

A

T

Q

A

T

S

I

V

V

V

V

A

I

A

A

V

A

A

A

K

L

G

G

G

K

S

N

S

M

T

A

S

F

I

T

T

G

G

L

I

E

A

T

N

L

Q

K

R

I

V

K

K

E

E

T

C

D

N

R

R

I

I

A

E

A

A

L

M

Q

V

N

T

E

E

L

L

A

A

K

K

I

F

G

G

V

V

T

P

L

A

T

N

E

E

-

L

-

P

D

D

N

G

L

I

-

E

V

I

Y

H

T

G

L

I

N

D

T

I

D

E

N

D

L

L

H

K

F

T

P

P

D

E

-

I

-

S

K

K

I

R

T

G

I

V

A

S

T

S

Y

Y

E

D

D

D

H

H

R

R

M

V

A

A

M

M

A

S

F

F

A

S

P

L

L

L

A

A

L

G

L

L

I

C

N

K

E

-

V

-

E

-

I

-

E

E

E

P

M

V

Q

L

V

I

V

L

E

E

K

R

S

T

Y

W

P

P

Y

G

Y

W

W

W

E

D

D

I

L

L

K

H

binding shikimate-3-phosphate: S25 (= S26), R29 (= R30), S178 (= S158), S179 (= S159), Q180 (= Q160), S207 (= S186), Y210 (= Y189)

6hqvA Pentafunctional arom complex from chaetomium thermophilum (see paper)
29% identity, 95% coverage: 13:414/422 of query aligns to 396:826/1555 of 6hqvA

query
sites
6hqvA

K

K

N

G

I

L

N

S

T

V

E

T

I

V

Q

T

L

P

T

P

G

G

S

S

K

K

S

S

E

I

C

S

N

N

R
|
R

A

A

L

L

I

V

I

L

S

A

A

A

L

L

S

G

K

E

K

G

L

T

V

T

K

R

V

I

E

H

N

G

L

L

S

L

N

H

A

S

A

D

D

D

T

V

V

Q

-

Y

-

M

-

L

-

A

-

I

-

E

T

Q

L

L

N

H

G

G

I

A

L

D

N

F

N

S

L

W

E

E

E

D

E

A

L

G

E

E

V

I

-

L

-

V

-

T

-

G

-

K

-

G

E

K

I

L

Q

Q

E

A

S

S

K

K

-

E

T

P

V

L

D

Y

V

L

G

G

P

N

A

A

G

G

T

T

A

A

M

S

R

R

F

F

L

L

S

T

A

S

Y

V

L

V

S

A

-

L

-

C

-

A

-

P

A

S

K

A

N

V

G

S

N

S

F

T

L

V

L

L

T

T

G

G

T

N

E

A

R

R

M

M

K

K

Q

V

R

R

P

P

I

I

G

G

I

A

L

L

A

V

E

D

A

A

L

L

K

R

T

A

I

N

G

G

A

V

D

G

I

V

S

K

Y

Y

A

L

E

E

A

K

E

E

G

K

F

S

P

L

P

P

L

V

N

E

I

V

V

D

G

A

P

A

L

G

N

G

Q

F

K

A

T

G

A

G

E

V

V

I

K

E

I

L

K

A

G

A

D

T

I

V

S

S

S
|
S

Q
|
Q

Y

Y

I

V

S

S

A

S

L

I

L

L

M

M

I

A

A

A

P

P

I

Y

L

A

P

H

Q

Q

G

P

L

V

T

T

L

L

E

R

-

L

I

V

E

G

G

G

E

K

L

P

T

I

S

S

K

Q

P

P

Y

Y

V

I

D

D

M

M

T

T

L

I

D

A

M

M

L

M

A

A

E

S

V

F

G

G

I

I

-

K

-

V

-

E

A

R

H

S

S

A

W

E

N

D

G

P

N

N

S

T

I

Y

S

L

I

I

K

P

P

K

Q

G

A

V

F

Y

K

K

-

N

P

P

G

P

T

E

L

Y

V

V

E

E

P

S

D

D

W

A

S

S

A

S

A

A

S

T

Y

Y

W

P

Y

L

S

A

I

V

A

A

L

I

A

T

D

G

E

T

A

T

E

-

I

C

S

T

L

I

P

P

A

N

L

I

K

G

E

S

K

E

S

S

L

L

Q

Q

G

G

D

D

S

A

Q

R

I

F

K

A

-

V

N

E

I

V

M

L

K

R

I

P

F

M

G

G

I

C

A

A

T

V

S

E

K

Q

T

T

D

A

N

T

G

S

I

T

A

T

I

V

S

T

N

G

L

P

G

P

L

I

-

G

S

T

L

L

D

K

T

A

K

I

E

P

V

H

L

V

D

D

L

M

K

E

T

P

C

M

P

T

D

D

L

A

A

F

Q

L

T

T

I

A

V

A

V

V

I

L

A

A

A

V

L

A

G

D

K

G

N

T

M

T

A

Q

F

I

T

T

G

G

L

I

E

A

T

N

L

Q

K

R

I

V

K

K

E

E

T

C

D

N

R

R

I

I

A

A

L

M

Q

K

N

D

E

Q

L

L

A

A

K

K

I

F

G

G

V

V

T

Q

L

C

T

N

E

E

-

L

D

E

N

D

L

G

V

I

Y

E

T

V

L

I

N

G

T

K

D

P

N

Y

L

Q

H

E

F

L

P

R

D

N

K

P

I

V

T

E

-

G

I

I

A

Y

T

C

Y

Y

E

D

D

D

H

H

R

R

M

V

A

A

M

M

A

S

F

H

A

S

P

V

L

L

A

S

L

T

L

I

-

S

I

P

N

H

E

P

V

V

E

L

I

I

E

L

E

E

M

R

Q

E

V

C

V

T

E

A

K

K

S

T

Y

W

P

P

Y

G

Y

W

W

W

E

D

D

I

L

L

K

S

K

Q

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: R413 (= R30), S562 (= S159), Q563 (= Q160)

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

7m0oA Dgt-28 epsps (see paper)
29% identity, 77% coverage: 84:410/422 of query aligns to 78:392/400 of 7m0oA

query
sites
7m0oA

T

T

A

T

M

A

R

R

F

F

L

L

S

P

A

T

Y

L

L

A

S

A

A

A

K

G

N

H

G

G

N

T

F

Y

L

R

L

F

T

D

G

A

T

S

E

P

R

Q

M

M

K

R

Q

R

R

R

P

P

I

L

G

L

I

P

L

L

A

S

E

R

A

A

L

L

K

R

T

D

I

L

G

G

A

V

D

D

I

L

S

R

Y

H

A

E

E

E

A

A

E

E

G

G

F

H

P

H

P

P

L

L

N

T

I

V

V

R

G

A

P

-

L

A

N

G

Q

V

K

E

T

G

A

G

E

E

V

V

K

T

I

L

K

D

G

A

D

G

I

Q

S

S

Q

Q

Y

Y

I

L

S

T

A

A

L

L

M

L

I

L

A

G

P

P

I

L

L

T

P

R

Q

Q

G

G

L

L

T

R

L

I

E

R

I

V

E

-

G

-

E

-

L

-

T

-

S

-

K

A

P

P

Y

Y

V

V

D

E

M

I

T

T

L

L

D

A

M

M

L

M

A

R

E

A

V

F

G

G

I

V

A

E

H

V

S

A

W

R

N

E

G

G

N

D

S

V

I

F

S

V

I

V

K

P

P

P

Q

G

A

G

F

Y

K

R

P

A

G

T

T

T

L

Y

V

A

V

I

E

E

P

P

D

D

W

A

S

S

A

T

A

A

S

S

Y

Y

W

F

Y

F

S

A

I

A

A

A

L

L

A

T

D

P

E

G

A

A

E

E

I

V

S

T

L

V

P

P

A

G

L

L

K

G

E

T

K

G

S

A

L

L

Q

Q

G

G

D

D

S

L

Q

G

I

F

K

V

N

D

I

V

M

L

K

R

I

R

F

M

G

G

I

A

A

E

T

V

S

S

K

V

T

G

D

A

N

D

G

A

I

T

A

T

I

V

S

R

N

G

L

T

G

G

-

E

L

L

S

R

L

G

D

L

T

T

K

A

E

N

V

M

L

R

D

D

L

I

K

S

T

-

C

-

P

-

D
|
D

L

T

A

M

Q

P

T

T

I

L

V

A

I

I

A

A

A

P

A

F

L

A

G

S

K

A

N

P

M

V

A

R

F

I

T

E

G

D

L

V

E

A

T

N

L

T

K

R

I

V

K
|
K

E

E

T

C

D

D

R
|
R

I

L

A

E

A

A

L

C

Q

A

N

E

E

N

L

L

A

R

K

R

I

L

G

G

V

V

T

R

L

V

-

A

T

T

E

G

D

P

N

D

L

W

V

I

Y

-

T

-

L

-

N

-

T

-

D

-

N

E

L

I

H

H

F

-

P

P

D

G

K

P

I

A

T

T

-

G

-

A

-

Q

I

V

A

T

T

S

Y

Y

E

G

D

D

H
|
H

R
|
R

M

I

A

V

M

M

A

S

F

F

A

A

P

V

L

T

A

G

L

L

L

R

I

V

N

P

E

G

V

I

E

S

I

F

E

D

M

P

Q

G

V

C

V

V

E

R

K

K

S

T

Y

F

P

P

Y

G

Y

F

W

H

E

E

binding phosphate ion: D288 (= D303), K315 (= K330), R319 (= R334), H359 (= H377), R360 (= R378)

1rf6A Structural studies of streptococcus pneumoniae epsp synthase in s3p- glp bound state (see paper)
24% identity, 95% coverage: 13:413/422 of query aligns to 8:422/427 of 1rf6A

query
sites
1rf6A

K

R

N

H

I

L

N

H

T

G

E

I

I

I

Q

R

L

V

T

P

G

G

S

D

K
|
K

S
|
S

E

I

C

S

N

H

R
|
R

A

S

L

I

I

I

I

F

S

G

A

S

L

L

S

A

K

E

K

G

L

E

V

T

K

K

V

V

E

Y

N

D

L

I

S

L

N

R

A

G

A

E

D
|
D

T

V

V

L

T

S

L

T

N

M

G

Q

I

V

L

F

N

R

N

D

L

L

E

G

E

V

E

E

L

I

E

E

-

D

-

K

-

D

-

G

-

V

V

I

E

T

I

V

Q

Q

-

G

-

V

-

G

-

M

-

A

-

G

-

L

-

K

-

A

E

P

S

Q

K

N

T

A

V

L

D

N

V

M

G

G

P
x
N

A

S

G
|
G

T
|
T

A

S

M

I

R

R

F

L

L

I

S

S

A

G

Y

V

L

L

S

A

A

G

K

A

N

D

G

F

N

E

F

V

L

E

L

M

T

F

G

G

T

D

E
x
D

R

S

M

L

K

S

Q

K

R
|
R

P

P

I

M

G

D

I

R

L

V

A

T

E

L

A

P

L

L

K

K

T

K

I

M

G

G

A

V

D

S

I

I

S

S

Y

G

A

Q

E

T

A

E

E

R

G

D

F

L

P

P

L

L

N

R

I

L

V

K

G

G

P

T

L

K

N

N

Q

L

K

R

T

P

A

I

E

H

V

Y

K

E

I

L

K

P

G

-

D

-

I

I

S

A

S
|
S

Q

A

Y
x
Q

I

V

S

K

A

S

L

A

L

L

M

M

I

F

A

A

P

A

I

L

L

Q

P

A

Q

K

G

G

L

E

T

S

L

V

E

I

I

I

E

E

G

K

E

E

L

Y

T

T

S
x
R

K

-

P

-

Y

-

V

-

D

N

M

H

T

T

L

E

D

D

M

M

L

L

A

Q

E

Q

V

F

G

G

I

G

A

H

H

L

S

S

W

V

N

D

G

G

N

K

S

K

I

I

S

T

I

V

K

Q

-

G

P

P

Q

Q

A

K

F

L

K

T

P

G

G

Q

T

K

L

V

V

V

E

P

P

G

D

D

W

I

S

S

A

S

A

A

S

A

Y

F

W

W

Y

L

S

V

I

A

A

G

A

L

L

I

A

A

D

P

E

N

A

S

E

R

I

L

S

V

L

L

P

Q

A

N

L

V

K

G

E

I

K

N

S

E

L

T

Q

R

G

-

D

-

S

T

Q

G

I

I

K

I

N

D

I

V

M

I

K

R

I

A

F

M

G

G

I

G

A

K

T

L

S

E

K

I

T

T

D

E

N

I

G

D

I

P

A

V

I

A

S

K

N

S

L

A

G

T

L

L

S

I

L

V

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E

T

S

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S

E

D

V

L

L

K

D

G

L

T

K

E

T

I

C

C

-

G

-

A

-

L

-

I

P

P

D

R

L

L

A
x
I

Q
x
D

T

E

I

L

V

P

V

I

I

I

A

A

A

L

L

A

G

T

K

Q

N

A

M

Q

A

G

F

V

T

T

G

V

L

I

-

K

-

D

-

A

E

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T

E

L

L

K

K

I

V

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K

E
|
E

T

T

D

D

R
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R

I

I

A

Q

A

V

L

V

Q

A

N

D

E

A

L

L

A

N

K

S

I

M

G

G

-

A

-

D

V

I

T

T

L

P

T

T

E

A

D

D

N

G

L

M

V

I

Y

I

T

K

L

-

N

G

T

K

D

S

N

A

L

L

H

H

F

-

P

-

D

-

K

G

I

A

T

R

I

V

A

N

T

T

Y

F

E

G

D

D

H
|
H

R
|
R

M

I

A

G

M

M

A

M

F

T

A

A

P

I

L

A

A

A

L

L

I

V

-

A

-

D

N

G

E

E

V

V

E

E

I

L

E

D

E

R

M

A

Q

E

V

A

V

I

E

N

K
x
T

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S

Y

Y

P

P

Y

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W

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D

D

L

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E

active site: K20 (= K25), S21 (= S26), D47 (= D52), N90 (≠ P81), D115 (≠ E106), R120 (= R111), D312 (≠ Q306), E340 (= E331), H384 (= H377), R385 (= R378), T412 (≠ K403)
binding glyphosate: K20 (= K25), G92 (= G83), T93 (= T84), R120 (= R111), Q168 (≠ Y161), D312 (≠ Q306), E340 (= E331), R343 (= R334), H384 (= H377), R385 (= R378)
binding shikimate-3-phosphate: S21 (= S26), R25 (= R30), S166 (= S159), Q168 (≠ Y161), R193 (≠ S186), I311 (≠ A305), D312 (≠ Q306), K339 (= K330)

1rf4A Structural studies of streptococcus pneumoniae epsp synthase, tetrahedral intermediate bound state (see paper)
24% identity, 95% coverage: 13:413/422 of query aligns to 8:422/427 of 1rf4A

query
sites
1rf4A

K

R

N

H

I

L

N

H

T

G

E

I

I

I

Q

R

L

V

T

P

G

G

S

D

K
|
K

S
|
S

E

I

C

S

N

H

R
|
R

A

S

L

I

I

I

I

F

S

G

A

S

L

L

S

A

K

E

K

G

L

E

V

T

K

K

V

V

E

Y

N

D

L

I

S

L

N

R

A

G

A

E

D
|
D

T

V

V

L

T

S

L

T

N

M

G

Q

I

V

L

F

N

R

N

D

L

L

E

G

E

V

E

E

L

I

E

E

-

D

-

K

-

D

-

G

-

V

V

I

E

T

I

V

Q

Q

-

G

-

V

-

G

-

M

-

A

-

G

-

L

-

K

-

A

E

P

S

Q

K

N

T

A

V

L

D

N

V

M

G

G

P
x
N

A

S

G
|
G

T
|
T

A

S

M

I

R

R

F

L

L

I

S

S

A

G

Y

V

L

L

S

A

A

G

K

A

N

D

G

F

N

E

F

V

L

E

L

M

T

F

G

G

T

D

E
x
D

R

S

M

L

K

S

Q

K

R
|
R

P

P

I

M

G

D

I

R

L

V

A

T

E

L

A

P

L

L

K

K

T

K

I

M

G

G

A

V

D

S

I

I

S

S

Y

G

A

Q

E

T

A

E

E

R

G

D

F

L

P

P

L

L

N

R

I

L

V

K

G

G

P

T

L

K

N

N

Q

L

K

R

T

P

A

I

E

H

V

Y

K

E

I

L

K

P

G

-

D

-

I

I

S

A

S
|
S

Q
x
A

Y
x
Q

I

V

S

K

A

S

L

A

L

L

M

M

I

F

A

A

P

A

I

L

L

Q

P

A

Q

K

G

G

L

E

T

S

L

V

E

I

I

I

E

E

G

K

E

E

L

Y

T

T

S
x
R

K

-

P

-

Y

-

V

-

D

N

M

H

T

T

L

E

D

D

M

M

L

L

A

Q

E

Q

V

F

G

G

I

G

A

H

H

L

S

S

W

V

N

D

G

G

N

K

S

K

I

I

S

T

I

V

K

Q

-

G

P

P

Q

Q

A

K

F

L

K

T

P

G

G

Q

T

K

L

V

V

V

E

P

P

G

D

D

W

I

S

S

A

S

A

A

S

A

Y

F

W

W

Y

L

S

V

I

A

A

G

A

L

L

I

A

A

D

P

E

N

A

S

E

R

I

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S

V

L

L

P

Q

A

N

L

V

K

G

E

I

K

N

S

E

L

T

Q

R

G

-

D

-

S

T

Q

G

I

I

K

I

N

D

I

V

M

I

K

R

I

A

F

M

G

G

I

G

A

K

T

L

S

E

K

I

T

T

D

E

N

I

G

D

I

P

A

V

I

A

S

K

N

S

L

A

G

T

L

L

S

I

L

V

D

E

T

S

K

S

E

D

V

L

L

K

D

G

L

T

K

E

T

I

C

C

-

G

-

A

-

L

-

I

P

P

D

R

L

L

A

I

Q
x
D

T

E

I

L

V

P

V

I

I

I

A

A

A

L

L

A

G

T

K

Q

N

A

M

Q

A

G

F

V

T

T

G

V

L

I

-

K

-

D

-

A

E

E

T

E

L

L

K

K

I

V

K
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K

E
|
E

T

T

D

D

R
|
R

I

I

A

Q

A

V

L

V

Q

A

N

D

E

A

L

L

A

N

K

S

I

M

G

G

-

A

-

D

V

I

T

T

L

P

T

T

E

A

D

D

N

G

L

M

V

I

Y

I

T

K

L

-

N

G

T

K

D

S

N

A

L

L

H

H

F

-

P

-

D

-

K

G

I

A

T

R

I

V

A

N

T

T

Y

F

E

G

D

D

H
|
H

R
|
R

M

I

A

G

M

M

A

M

F

T

A

A

P

I

L

A

A

A

L

L

I

V

-

A

-

D

N

G

E

E

V

V

E

E

I

L

E

D

E

R

M

A

Q

E

V

A

V

I

E

N

K
x
T

S

S

Y

Y

P

P

Y

S

Y

F

W

F

E

D

D

D

L

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K

E

active site: K20 (= K25), S21 (= S26), D47 (= D52), N90 (≠ P81), D115 (≠ E106), R120 (= R111), D312 (≠ Q306), E340 (= E331), H384 (= H377), R385 (= R378), T412 (≠ K403)
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 (= G83), T93 (= T84), R120 (= R111), S166 (= S159), A167 (≠ Q160), Q168 (≠ Y161), R193 (≠ S186), D312 (≠ Q306), K339 (= K330), E340 (= E331), R343 (= R334), H384 (= H377), R385 (= R378)

Query Sequence

>CA265_RS11640 FitnessBrowser__Pedo557:CA265_RS11640
MSKNALVSFKGTKNINTEIQLTGSKSECNRALIISALSKKLVKVENLSNAADTVTLNGIL
NNLEEELEVEIQESKTVDVGPAGTAMRFLSAYLSAKNGNFLLTGTERMKQRPIGILAEAL
KTIGADISYAEAEGFPPLNIVGPLNQKTAEVKIKGDISSQYISALLMIAPILPQGLTLEI
EGELTSKPYVDMTLDMLAEVGIAHSWNGNSISIKPQAFKPGTLVVEPDWSAASYWYSIAA
LADEAEISLPALKEKSLQGDSQIKNIMKIFGIATSKTDNGIAISNLGLSLDTKEVLDLKT
CPDLAQTIVVIAAALGKNMAFTGLETLKIKETDRIAALQNELAKIGVTLTEDNLVYTLNT
DNLHFPDKITIATYEDHRMAMAFAPLALLINEVEIEEMQVVEKSYPYYWEDLKKAGFDVS
IK

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