SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011883818.1 NCBI__GCF_000016205.1:WP_011883818.1 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)

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
60% identity, 100% coverage: 1:433/434 of query aligns to 1:426/426 of 3nvsA

query
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3nvsA

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active site: K22 (= K22), S23 (= S23), D49 (= D49), N94 (= N91), P119 (= P116), R124 (= R121), H128 (≠ D125), Q135 (= Q132), Y142 (= Y139), E144 (≠ Q141), A247 (= A248), A255 (= A256), D314 (= D320), E342 (= E348), H386 (= H393), R387 (= R394), K412 (= K419)
binding glyphosate: K22 (= K22), G96 (= G93), R124 (= R121), Q172 (= Q170), D314 (= D320), E342 (= E348), R345 (= R351), H386 (= H393), R387 (= R394)
binding magnesium ion: E123 (= E120), Q145 (≠ N142)
binding shikimate-3-phosphate: K22 (= K22), S23 (= S23), R27 (= R27), T97 (= T94), S170 (= S168), S171 (= S169), Q172 (= Q170), S198 (= S199), Y201 (= Y202), D314 (= D320), N337 (≠ S343), K341 (= K347)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S23 (= S23), R27 (= R27), Q172 (= Q170), Y201 (= Y202), D314 (= D320), K341 (= K347)

Q9KRB0 3-phosphoshikimate 1-carboxyvinyltransferase; 5-enolpyruvylshikimate-3-phosphate synthase; EPSP synthase; EPSPS; EC 2.5.1.19 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
60% identity, 100% coverage: 1:433/434 of query aligns to 1:426/426 of Q9KRB0

query
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Q9KRB0

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K22 (= K22) binding 3-phosphoshikimate
S23 (= S23) binding 3-phosphoshikimate
R27 (= R27) binding 3-phosphoshikimate
S170 (= S168) binding 3-phosphoshikimate
S171 (= S169) binding 3-phosphoshikimate
S198 (= S199) binding 3-phosphoshikimate
D314 (= D320) binding 3-phosphoshikimate
N337 (≠ S343) binding 3-phosphoshikimate
K341 (= K347) binding 3-phosphoshikimate

7tm5B Crystal structure of shikimate-3-phosphate bound 3-phosphoshikimate 1- carboxyvinyltransferase from klebsiella pneumoniae
59% identity, 100% coverage: 1:432/434 of query aligns to 1:424/427 of 7tm5B

query
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7tm5B

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E

E

G

G

P

E

D

D

Y

Y

L

I

V

R

V

I

T

T

P

P

Q

A

R

K

L

L

T

-

P

K

N

Y

A

A

T

E

I

I

D

G

T

T

Y

Y

D

N

D

D

H

H

R

R

M

M

A

A

M

M

C

C

F

F

S

S

L

L

V

V

S

A

L

L

G

S

G

D

V

T

P

P

V

V

R

T

I

I

N

L

D

D

P

P

K

K

C

C

V

T

G

A

K

K

T

T

F

F

P

P

D

D

Y

Y

F

F

D

E

R

Q

F

L

A

A

A

R

L

I

A

S

binding shikimate-3-phosphate: K22 (= K22), S23 (= S23), R27 (= R27), S169 (= S168), S170 (= S169), Q171 (= Q170), S197 (= S199), Y200 (= Y202), D313 (= D320), N336 (≠ S343), K340 (= K347)

7tm6A Crystal structure of shikimate-3-phosphate and glyphosate bound 3- phosphoshikimate 1-carboxyvinyltransferase from klebsiella pneumoniae
59% identity, 99% coverage: 2:432/434 of query aligns to 1:423/426 of 7tm6A

query
sites
7tm6A

D

E

Y

S

L

L

D

T

L

L

G

Q

P

P

Y

I

S

A

S

R

A

V

S

E

G

G

T

T

V

V

R

N

L

L

P

P

G

G

S

S

K
|
K

S
|
S

I

V

S

S

N

N

R
|
R

V

A

L

L

A

A

L

L

A

A

E

R

G

G

E

T

T

T

T

V

I

L

T

T

N

N

L

L

D

D

S

S

D

D

T

V

R

R

V

H

M

M

L

L

D

N

A

A

L

L

G

S

K

A

L

L

G

G

V

V

R

Q

L

Y

T

T

R

L

D

S

A

A

D

D

T

R

-

T

-

R

C

C

V

E

V

V

A

T

G

G

T

N

R

G

G

G

A

P

F

L

-

R

T

S

A

A

R

A

T

A

A

L

D

E

L

L

F

F

L

L

G

G

N

N

A

A

G
|
G

T
|
T

A

A

V

M

R

R

P

P

L

L

T

A

A

A

L

L

A

C

V

L

N

G

G

S

G

N

D

D

Y

I

R

V

V

L

H

T

G

G

V

E

P

P

R

R

M

M

H

K

E

E

R
|
R

P

P

I

I

G

G

D

H

L

L

V

V

D

D

G

A

L

L

R

R

Q

Q

I

G

G

G

A

A

Q

Q

I

I

D

D

Y

C

E

L

Q

E

N

Q

E

E

G

N

F

Y

P

P

L

L

R

R

I

L

K

R

P

G

A

G

A

F

I

-

T

-

V

Q

D

G

A

G

P

N

I

V

R

E

V

V

R

D

G

G

D

S

V

V

S
|
S

Q
|
Q

F

F

L

L

T

T

A

A

L

L

M

M

T

T

L

A

P

P

L

L

V

A

K

P

A

-

K

Q

D

D

G

T

K

V

I

I

V

V

V

I

E

K

V

-

D

-

G

G

E

D

L

L

I

V

S
|
S

K

K

P

P

Y
|
Y

I

I

D

D

I

I

T

T

I

L

R

H

L

L

M

M

E

K

R

T

F

F

G

G

V

V

T

E

V

V

E

D

R

N

D

Q

G

S

W

Y

Q

Q

R

R

F

F

V

V

P

R

A

G

G

K

V

Q

R

Q

Y

Y

R

Q

S

S

P

P

G

G

R

D

I

Y

M

L

V

V

E

E

G

G

D

D

A

A

S

S

A

A

S

S

Y

Y

F

F

L

L

A

A

G

G

A

A

L

I

G

K

G

G

P

T

L

V

R

K

V

V

E

T

G

G

V

I

G

G

R

R

A

N

S

S

I

V

Q

Q

G

G

D

D

V

I

G

R

F

F

A

A

N

D

A

V

L

L

M

E

Q

K

M

M

G

G

A

A

N

T

V

V

S

T

M

W

G

G

D

D

W

F

I

I

E

A

V

C

R

-

G

-

I

-

G

-

H

-

D

T

H

H

G

G

K

E

L

L

D

K

P

A

I

V

D

D

M

M

D

D

F

M

N

N

L

H

I

I

P

P

D
|
D

A

A

M

M

T

T

I

I

A

A

V

T

A

A

L

L

F

F

A

A

S

Q

G

G

T

T

S

T

T

T

L

L

R

R

N

N

I

I

A

Y

S
x
N

W

W

R

R

V

V

K
|
K

E
|
E

T

T

D

D

R
|
R

I

L

A

F

A

A

M

M

A

A

T

T

E

E

L

L

R

R

K

K

L

V

G

G

A

A

V

E

V

V

E

E

G

G

P

E

D

D

Y

Y

L

I

V

R

V

I

T

T

P

P

Q

A

R

K

L

L

T

-

P

K

N

Y

A

A

T

E

I

I

D

G

T

T

Y

Y

D

N

D

D

H
|
H

R
|
R

M

M

A

A

M

M

C

C

F

F

S

S

L

L

V

V

S

A

L

L

G

S

G

D

V

T

P

P

V

V

R

T

I

I

N

L

D

D

P

P

K

K

C

C

V

T

G

A

K

K

T

T

F

F

P

P

D

D

Y

Y

F

F

D

E

R

Q

F

L

A

A

A

R

L

I

A

S

binding glyphosate: K21 (= K22), G95 (= G93), R123 (= R121), Q170 (= Q170), D312 (= D320), E340 (= E348), R343 (= R351), H384 (= H393), R385 (= R394)
binding shikimate-3-phosphate: S22 (= S23), R26 (= R27), T96 (= T94), S168 (= S168), S169 (= S169), Q170 (= Q170), S196 (= S199), Y199 (= Y202), D312 (= D320), N335 (≠ S343), K339 (= K347)

2pq9A E. Coli epsps liganded with (r)-difluoromethyl tetrahedral reaction intermediate analog (see paper)
58% identity, 100% coverage: 1:434/434 of query aligns to 1:426/427 of 2pq9A

query
sites
2pq9A

M

M

D

E

Y

S

L

L

D

T

L

L

G

Q

P

P

Y

I

S

A

S

R

A

V

S

D

G

G

T

T

V

I

R

N

L

L

P

P

G

G

S

S

K
|
K

S
|
S

I

V

S

S

N

N

R
|
R

V

A

L

L

A

A

L

L

A

A

E

H

G

G

E

K

T

T

T

V

I

L

T

T

N

N

L

L

D

D

S

S

D

D

D
|
D

T

V

R

R

V

H

M

M

L

L

D

N

A

A

L

L

G

T

K

A

L

L

G

G

V

V

R

S

L

Y

T

T

R

L

D

S

A

A

D

D

T

R

-

T

-

R

C

C

V

E

V

I

A

I

G

G

T

N

R

G

G

G

A

P

F

L

T

H

A

A

R

E

T

G

A

A

-

L

D

E

L

L

F

F

L

L

G

G

N
|
N

A

A

G
|
G

T
|
T

A

A

V

M

R

R

P

P

L

L

T

A

A

A

L

L

A

C

V

L

N

G

G

S

G

N

D

D

Y

I

R

V

V

L

H

T

G

G

V

E

P
|
P

R

R

M

M

H

K

E

E

R
|
R

P

P

I

I

G

G

D

H

L

L

V

V

D

D

G

A

L

L

R

R

Q

L

I

G

G

G

A

A

Q

K

I

I

D

T

Y

Y

E

L

Q

E

N

Q

E

E

G

N

F

Y

P

P

L

L

R

R

I

L

K

Q

P

G

A

G

A

F

I

-

T

-

V

T

D

G

A

G

P

N

I

V

R

D

V

V

R

D

G

G

D

S

V

V

S
|
S

Q
|
Q

F

F

L

L

T

T

A

A

L

L

M

M

T

T

L

A

P

P

L

L

V

A

K

P

A

E

K

D

D

-

G

-

K

-

I

T

V

V

V

I

E

R

V

I

D

K

G

G

E

D

L

L

I

V

S
|
S

K

K

P

P

Y
|
Y

I

I

D

D

I

I

T

T

I

L

R

N

L

L

M

M

E

K

R

T

F

F

G

G

V

V

T

E

V

I

E

E

R

N

D

Q

G

H

W

Y

Q

Q

R

Q

F

F

V

V

P

K

A

G

G

G

V

Q

R

S

Y

Y

R

Q

S

S

P

P

G

G

R

T

I

Y

M

L

V

V

E

E

G

G

D

D

A

A

S

S

A

A

S

S

Y

Y

F

F

L

L

A

A

G

A

A

A

L

I

G

K

G

G

P

T

L

V

R

K

V

V

E

T

G

G

V

I

G

G

R

R

A

N

S

S

I

M

Q

Q

G

G

D

D

V

I

G

R

F

F

A

A

N

D

A

V

L

L

M

E

Q

K

M

M

G

G

A

A

N

T

V

I

S

C

M

W

G

G

D

D

W

Y

I

I

E

S

V

C

R

T

G

-

I

-

G

-

H

-

D

-

H

R

G

G

K

E

L

L

D

N

P

A

I

I

D

D

M

M

D

D

F

M

N

N

L

H

I

I

P

P

D
|
D

A

A

M

M

T

T

I

I

A

A

V

T

A

A

L

L

F

F

A

A

S

K

G

G

T

T

S

T

T

T

L

L

R

R

N

N

I

I

A

Y

S
x
N

W

W

R

R

V

V

K
|
K

E
|
E

T

T

D

D

R
|
R

I

L

A

F

A

A

M

M

A

A

T

T

E

E

L

L

R

R

K

K

L

V

G

G

A

A

V

E

V

V

E

E

G

G

P

H

D

D

Y

Y

L

I

V

R

V

I

T

T

P

P

Q

E

R

K

L

L

T

N

P

-

N

F

A

A

T

E

I

I

D

A

T

T

Y

Y

D

N

D

D

H
|
H

R
|
R

M

M

A

A

M

M

C

C

F

F

S

S

L

L

V

V

S

A

L

L

G

S

G

D

V

T

P

P

V

V

R

T

I

I

N

L

D

D

P

P

K

K

C

C

V

T

G

A

K
|
K

T

T

F

F

P

P

D

D

Y

Y

F

F

D

E

R

Q

F

L

A

A

A

R

L

I

A

S

K

Q

A

A

active site: K22 (= K22), S23 (= S23), D49 (= D49), N94 (= N91), P119 (= P116), R124 (= R121), D313 (= D320), E341 (= E348), H385 (= H393), R386 (= R394), K411 (= K419)
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 (= K22), S23 (= S23), R27 (= R27), G96 (= G93), T97 (= T94), R124 (= R121), S169 (= S168), S170 (= S169), Q171 (= Q170), S197 (= S199), Y200 (= Y202), D313 (= D320), N336 (≠ S343), K340 (= K347), R344 (= R351), H385 (= H393), R386 (= R394), K411 (= K419)

2aa9A Epsp synthase liganded with shikimate (see paper)
58% identity, 100% coverage: 1:434/434 of query aligns to 1:426/427 of 2aa9A

query
sites
2aa9A

M

M

D

E

Y

S

L

L

D

T

L

L

G

Q

P

P

Y

I

S

A

S

R

A

V

S

D

G

G

T

T

V

I

R

N

L

L

P

P

G

G

S

S

K
|
K

S
|
S

I

V

S

S

N

N

R
|
R

V

A

L

L

A

A

L

L

A

A

E

H

G

G

E

K

T

T

T

V

I

L

T

T

N

N

L

L

D

D

S

S

D

D

D
|
D

T

V

R

R

V

H

M

M

L

L

D

N

A

A

L

L

G

T

K

A

L

L

G

G

V

V

R

S

L

Y

T

T

R

L

D

S

A

A

D

D

T

R

-

T

-

R

C

C

V

E

V

I

A

I

G

G

T

N

R

G

G

G

A

P

F

L

T

H

A

A

R

E

T

G

A

A

-

L

D

E

L

L

F

F

L

L

G

G

N
|
N

A

A

G

G

T
|
T

A

A

V

M

R

R

P

P

L

L

T

A

A

A

L

L

A

C

V

L

N

G

G

S

G

N

D

D

Y

I

R

V

V

L

H

T

G

G

V

E

P
|
P

R

R

M

M

H

K

E

E

R
|
R

P

P

I

I

G

G

D

H

L

L

V

V

D

D

G

A

L

L

R

R

Q

L

I

G

G

G

A

A

Q

K

I

I

D

T

Y

Y

E

L

Q

E

N

Q

E

E

G

N

F

Y

P

P

L

L

R

R

I

L

K

Q

P

G

A

G

A

F

I

-

T

-

V

T

D

G

A

G

P

N

I

V

R

D

V

V

R

D

G

G

D

S

V

V

S

S

Q
|
Q

F

F

L

L

T

T

A

A

L

L

M

M

T

T

L

A

P

P

L

L

V

A

K

P

A

E

K

D

D

-

G

-

K

-

I

T

V

V

V

I

E

R

V

I

D

K

G

G

E

D

L

L

I

V

S

S

K

K

P

P

Y
|
Y

I

I

D

D

I

I

T

T

I

L

R

N

L

L

M

M

E

K

R

T

F

F

G

G

V

V

T

E

V

I

E

E

R

N

D

Q

G

H

W

Y

Q

Q

R

Q

F

F

V

V

P

K

A

G

G

G

V

Q

R

S

Y

Y

R

Q

S

S

P

P

G

G

R

T

I

Y

M

L

V

V

E

E

G

G

D

D

A

A

S

S

A

A

S

S

Y

Y

F

F

L

L

A

A

G

A

A

A

L

I

G

K

G

G

P

T

L

V

R

K

V

V

E

T

G

G

V

I

G

G

R

R

A

N

S

S

I

M

Q

Q

G

G

D

D

V

I

G

R

F

F

A

A

N

D

A

V

L

L

M

E

Q

K

M

M

G

G

A

A

N

T

V

I

S

C

M

W

G

G

D

D

W

Y

I

I

E

S

V

C

R

T

G

-

I

-

G

-

H

-

D

-

H

R

G

G

K

E

L

L

D

N

P

A

I

I

D

D

M

M

D

D

F

M

N

N

L

H

I

I

P

P

D
|
D

A

A

M

M

T

T

I

I

A

A

V

T

A

A

L

L

F

F

A

A

S

K

G

G

T

T

S

T

T

T

L

L

R

R

N

N

I

I

A

Y

S

N

W

W

R

R

V

V

K
|
K

E
|
E

T

T

D

D

R

R

I

L

A

F

A

A

M

M

A

A

T

T

E

E

L

L

R

R

K

K

L

V

G

G

A

A

V

E

V

V

E

E

G

G

P

H

D

D

Y

Y

L

I

V

R

V

I

T

T

P

P

Q

E

R

K

L

L

T

N

P

-

N

F

A

A

T

E

I

I

D

A

T

T

Y

Y

D

N

D

D

H
|
H

R
|
R

M

M

A

A

M

M

C

C

F

F

S

S

L

L

V

V

S

A

L

L

G

S

G

D

V

T

P

P

V

V

R

T

I

I

N

L

D

D

P

P

K

K

C

C

V

T

G

A

K
|
K

T

T

F

F

P

P

D

D

Y

Y

F

F

D

E

R

Q

F

L

A

A

A

R

L

I

A

S

K

Q

A

A

active site: K22 (= K22), S23 (= S23), D49 (= D49), N94 (= N91), P119 (= P116), R124 (= R121), D313 (= D320), E341 (= E348), H385 (= H393), R386 (= R394), K411 (= K419)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: K22 (= K22), S23 (= S23), R27 (= R27), T97 (= T94), Q171 (= Q170), Y200 (= Y202), D313 (= D320), K340 (= K347)

1x8tA Epsps liganded with the (r)-phosphonate analog of the tetrahedral reaction intermediate (see paper)
58% identity, 100% coverage: 1:434/434 of query aligns to 1:426/427 of 1x8tA

query
sites
1x8tA

M

M

D

E

Y

S

L

L

D

T

L

L

G

Q

P

P

Y

I

S

A

S

R

A

V

S

D

G

G

T

T

V

I

R

N

L

L

P

P

G

G

S

S

K
|
K

S
|
S

I

V

S

S

N

N

R
|
R

V

A

L

L

A

A

L

L

A

A

E

H

G

G

E

K

T

T

T

V

I

L

T

T

N

N

L

L

D

D

S

S

D

D

D
|
D

T

V

R

R

V

H

M

M

L

L

D

N

A

A

L

L

G

T

K

A

L

L

G

G

V

V

R

S

L

Y

T

T

R

L

D

S

A

A

D

D

T

R

-

T

-

R

C

C

V

E

V

I

A

I

G

G

T

N

R

G

G

G

A

P

F

L

T

H

A

A

R

E

T

G

A

A

-

L

D

E

L

L

F

F

L

L

G

G

N
|
N

A

A

G

G

T
|
T

A

A

V

M

R

R

P

P

L

L

T

A

A

A

L

L

A

C

V

L

N

G

G

S

G

N

D

D

Y

I

R

V

V

L

H

T

G

G

V

E

P
|
P

R

R

M

M

H

K

E

E

R
|
R

P

P

I

I

G

G

D

H

L

L

V

V

D

D

G

A

L

L

R

R

Q

L

I

G

G

G

A

A

Q

K

I

I

D

T

Y

Y

E

L

Q

E

N

Q

E

E

G

N

F

Y

P

P

L

L

R

R

I

L

K

Q

P

G

A

G

A

F

I

-

T

-

V

T

D

G

A

G

P

N

I

V

R

D

V

V

R

D

G

G

D

S

V

V

S
|
S

Q
|
Q

F

F

L

L

T

T

A

A

L

L

M

M

T

T

L

A

P

P

L

L

V

A

K

P

A

E

K

D

D

-

G

-

K

-

I

T

V

V

V

I

E

R

V

I

D

K

G

G

E

D

L

L

I

V

S
|
S

K

K

P

P

Y
|
Y

I

I

D

D

I

I

T

T

I

L

R

N

L

L

M

M

E

K

R

T

F

F

G

G

V

V

T

E

V

I

E

E

R

N

D

Q

G

H

W

Y

Q

Q

R

Q

F

F

V

V

P

K

A

G

G

G

V

Q

R

S

Y

Y

R

Q

S

S

P

P

G

G

R

T

I

Y

M

L

V

V

E

E

G

G

D

D

A

A

S

S

A

A

S

S

Y

Y

F

F

L

L

A

A

G

A

A

A

L

I

G

K

G

G

P

T

L

V

R

K

V

V

E

T

G

G

V

I

G

G

R

R

A

N

S

S

I

M

Q

Q

G

G

D

D

V

I

G

R

F

F

A

A

N

D

A

V

L

L

M

E

Q

K

M

M

G

G

A

A

N

T

V

I

S

C

M

W

G

G

D

D

W

Y

I

I

E

S

V

C

R

T

G

-

I

-

G

-

H

-

D

-

H

R

G

G

K

E

L

L

D

N

P

A

I

I

D

D

M

M

D

D

F

M

N

N

L

H

I

I

P

P

D
|
D

A

A

M

M

T

T

I

I

A

A

V

T

A

A

L

L

F

F

A

A

S

K

G

G

T

T

S

T

T

T

L

L

R

R

N

N

I

I

A

Y

S
x
N

W

W

R

R

V

V

K
|
K

E
|
E

T

T

D

D

R
|
R

I

L

A

F

A

A

M

M

A

A

T

T

E

E

L

L

R

R

K

K

L

V

G

G

A

A

V

E

V

V

E

E

G

G

P

H

D

D

Y

Y

L

I

V

R

V

I

T

T

P

P

Q

E

R

K

L

L

T

N

P

-

N

F

A

A

T

E

I

I

D

A

T

T

Y

Y

D

N

D

D

H
|
H

R
|
R

M

M

A

A

M

M

C

C

F

F

S

S

L

L

V

V

S

A

L

L

G

S

G

D

V

T

P

P

V

V

R

T

I

I

N

L

D

D

P

P

K

K

C

C

V

T

G

A

K
|
K

T

T

F

F

P

P

D

D

Y

Y

F

F

D

E

R

Q

F

L

A

A

A

R

L

I

A

S

K

Q

A

A

active site: K22 (= K22), S23 (= S23), D49 (= D49), N94 (= N91), P119 (= P116), R124 (= R121), D313 (= D320), E341 (= E348), H385 (= H393), R386 (= R394), K411 (= K419)
binding [3r-[3a,4a,5b(r*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid: K22 (= K22), S23 (= S23), R27 (= R27), T97 (= T94), S169 (= S168), S170 (= S169), Q171 (= Q170), S197 (= S199), Y200 (= Y202), D313 (= D320), N336 (≠ S343), K340 (= K347), R344 (= R351), H385 (= H393), R386 (= R394)

1x8rA Epsps liganded with the (s)-phosphonate analog of the tetrahedral reaction intermediate (see paper)
58% identity, 100% coverage: 1:434/434 of query aligns to 1:426/427 of 1x8rA

query
sites
1x8rA

M

M

D

E

Y

S

L

L

D

T

L

L

G

Q

P

P

Y

I

S

A

S

R

A

V

S

D

G

G

T

T

V

I

R

N

L

L

P

P

G

G

S

S

K
|
K

S
|
S

I

V

S

S

N

N

R
|
R

V

A

L

L

A

A

L

L

A

A

E

H

G

G

E

K

T

T

T

V

I

L

T

T

N

N

L

L

D

D

S

S

D

D

D
|
D

T

V

R

R

V

H

M

M

L

L

D

N

A

A

L

L

G

T

K

A

L

L

G

G

V

V

R

S

L

Y

T

T

R

L

D

S

A

A

D

D

T

R

-

T

-

R

C

C

V

E

V

I

A

I

G

G

T

N

R

G

G

G

A

P

F

L

T

H

A

A

R

E

T

G

A

A

-

L

D

E

L

L

F

F

L

L

G

G

N
|
N

A

A

G
|
G

T
|
T

A

A

V

M

R

R

P

P

L

L

T

A

A

A

L

L

A

C

V

L

N

G

G

S

G

N

D

D

Y

I

R

V

V

L

H

T

G

G

V

E

P
|
P

R

R

M

M

H

K

E

E

R
|
R

P

P

I

I

G

G

D

H

L

L

V

V

D

D

G

A

L

L

R

R

Q

L

I

G

G

G

A

A

Q

K

I

I

D

T

Y

Y

E

L

Q

E

N

Q

E

E

G

N

F

Y

P

P

L

L

R

R

I

L

K

Q

P

G

A

G

A

F

I

-

T

-

V

T

D

G

A

G

P

N

I

V

R

D

V

V

R

D

G

G

D

S

V

V

S
|
S

Q
|
Q

F

F

L

L

T

T

A

A

L

L

M

M

T

T

L

A

P

P

L

L

V

A

K

P

A

E

K

D

D

-

G

-

K

-

I

T

V

V

V

I

E

R

V

I

D

K

G

G

E

D

L

L

I

V

S
|
S

K

K

P

P

Y
|
Y

I

I

D

D

I

I

T

T

I

L

R

N

L

L

M

M

E

K

R

T

F

F

G

G

V

V

T

E

V

I

E

E

R

N

D

Q

G

H

W

Y

Q

Q

R

Q

F

F

V

V

P

K

A

G

G

G

V

Q

R

S

Y

Y

R

Q

S

S

P

P

G

G

R

T

I

Y

M

L

V

V

E

E

G

G

D

D

A

A

S

S

A

A

S

S

Y

Y

F

F

L

L

A

A

G

A

A

A

L

I

G

K

G

G

P

T

L

V

R

K

V

V

E

T

G

G

V

I

G

G

R

R

A

N

S

S

I

M

Q

Q

G

G

D

D

V

I

G

R

F

F

A

A

N

D

A

V

L

L

M

E

Q

K

M

M

G

G

A

A

N

T

V

I

S

C

M

W

G

G

D

D

W

Y

I

I

E

S

V

C

R

T

G

-

I

-

G

-

H

-

D

-

H

R

G

G

K

E

L

L

D

N

P

A

I

I

D

D

M

M

D

D

F

M

N

N

L

H

I

I

P

P

D
|
D

A

A

M

M

T

T

I

I

A

A

V

T

A

A

L

L

F

F

A

A

S

K

G

G

T

T

S

T

T

T

L

L

R

R

N

N

I

I

A

Y

S
x
N

W

W

R

R

V

V

K
|
K

E
|
E

T

T

D

D

R

R

I

L

A

F

A

A

M

M

A

A

T

T

E

E

L

L

R

R

K

K

L

V

G

G

A

A

V

E

V

V

E

E

G

G

P

H

D

D

Y

Y

L

I

V

R

V

I

T

T

P

P

Q

E

R

K

L

L

T

N

P

-

N

F

A

A

T

E

I

I

D

A

T

T

Y

Y

D

N

D

D

H
|
H

R
|
R

M

M

A

A

M

M

C

C

F

F

S

S

L

L

V

V

S

A

L

L

G

S

G

D

V

T

P

P

V

V

R

T

I

I

N

L

D

D

P

P

K

K

C

C

V

T

G

A

K
|
K

T

T

F

F

P

P

D

D

Y

Y

F

F

D

E

R

Q

F

L

A

A

A

R

L

I

A

S

K

Q

A

A

active site: K22 (= K22), S23 (= S23), D49 (= D49), N94 (= N91), P119 (= P116), R124 (= R121), D313 (= D320), E341 (= E348), H385 (= H393), R386 (= R394), K411 (= K419)
binding [3r-[3a,4a,5b(s*)]]-5-(1-carboxy-1-phosphonoethoxy)-4-hydroxy-3-(phosphonooxy)-1-cyclohexene-1-carboxylic acid: K22 (= K22), S23 (= S23), R27 (= R27), G96 (= G93), T97 (= T94), R124 (= R121), S169 (= S168), S170 (= S169), Q171 (= Q170), S197 (= S199), Y200 (= Y202), D313 (= D320), N336 (≠ S343), K340 (= K347), E341 (= E348), H385 (= H393), K411 (= K419)

1g6tA Structure of epsp synthase liganded with shikimate-3-phosphate (see paper)
58% identity, 100% coverage: 1:434/434 of query aligns to 1:426/427 of 1g6tA

query
sites
1g6tA

M

M

D

E

Y

S

L

L

D

T

L

L

G

Q

P

P

Y

I

S

A

S

R

A

V

S

D

G

G

T

T

V

I

R

N

L

L

P

P

G

G

S

S

K
|
K

S
|
S

I

V

S

S

N

N

R
|
R

V

A

L

L

A

A

L

L

A

A

E

H

G

G

E

K

T

T

T

V

I

L

T

T

N

N

L

L

D

D

S

S

D

D

D
|
D

T

V

R

R

V

H

M

M

L

L

D

N

A

A

L

L

G

T

K

A

L

L

G

G

V

V

R

S

L

Y

T

T

R

L

D

S

A

A

D

D

T

R

-

T

-

R

C

C

V

E

V

I

A

I

G

G

T

N

R

G

G

G

A

P

F

L

T

H

A

A

R

E

T

G

A

A

-

L

D

E

L

L

F

F

L

L

G

G

N
|
N

A

A

G
|
G

T
|
T

A

A

V

M

R

R

P

P

L

L

T

A

A

A

L

L

A

C

V

L

N

G

G

S

G

N

D

D

Y

I

R

V

V

L

H

T

G

G

V

E

P
|
P

R

R

M

M

H

K

E

E

R
|
R

P

P

I

I

G

G

D

H

L

L

V

V

D

D

G

A

L

L

R

R

Q

L

I

G

G

G

A

A

Q

K

I

I

D

T

Y

Y

E

L

Q

E

N

Q

E

E

G

N

F

Y

P

P

L

L

R

R

I

L

K

Q

P

G

A

G

A

F

I

-

T

-

V

T

D

G

A

G

P

N

I

V

R

D

V

V

R

D

G

G

D

S

V

V

S
|
S

Q
|
Q

F

F

L

L

T

T

A

A

L

L

M

M

T

T

L

A

P

P

L

L

V

A

K

P

A

E

K

D

D

-

G

-

K

-

I

T

V

V

V

I

E

R

V

I

D

K

G

G

E

D

L

L

I

V

S
|
S

K

K

P

P

Y
|
Y

I

I

D

D

I

I

T

T

I

L

R

N

L

L

M

M

E

K

R

T

F

F

G

G

V

V

T

E

V

I

E

E

R

N

D

Q

G

H

W

Y

Q

Q

R

Q

F

F

V

V

P

K

A

G

G

G

V

Q

R

S

Y

Y

R

Q

S

S

P

P

G

G

R

T

I

Y

M

L

V

V

E

E

G

G

D

D

A

A

S

S

A

A

S

S

Y

Y

F

F

L

L

A

A

G

A

A

A

L

I

G

K

G

G

P

T

L

V

R

K

V

V

E

T

G

G

V

I

G

G

R

R

A

N

S

S

I

M

Q

Q

G

G

D

D

V

I

G

R

F

F

A

A

N

D

A

V

L

L

M

E

Q

K

M

M

G

G

A

A

N

T

V

I

S

C

M

W

G

G

D

D

W

Y

I

I

E

S

V

C

R

T

G

-

I

-

G

-

H

-

D

-

H

R

G

G

K

E

L

L

D

N

P

A

I

I

D

D

M

M

D

D

F

M

N

N

L

H

I

I

P

P

D
|
D

A

A

M

M

T

T

I

I

A

A

V

T

A

A

L

L

F

F

A

A

S

K

G

G

T

T

S

T

T

T

L

L

R

R

N

N

I

I

A

Y

S
x
N

W

W

R

R

V

V

K
|
K

E
|
E

T

T

D

D

R

R

I

L

A

F

A

A

M

M

A

A

T

T

E

E

L

L

R

R

K

K

L

V

G

G

A

A

V

E

V

V

E

E

G

G

P

H

D

D

Y

Y

L

I

V

R

V

I

T

T

P

P

Q

E

R

K

L

L

T

N

P

-

N

F

A

A

T

E

I

I

D

A

T

T

Y

Y

D

N

D

D

H
|
H

R
|
R

M

M

A

A

M

M

C

C

F

F

S

S

L

L

V

V

S

A

L

L

G

S

G

D

V

T

P

P

V

V

R

T

I

I

N

L

D

D

P

P

K

K

C

C

V

T

G

A

K
|
K

T

T

F

F

P

P

D

D

Y

Y

F

F

D

E

R

Q

F

L

A

A

A

R

L

I

A

S

K

Q

A

A

active site: K22 (= K22), S23 (= S23), D49 (= D49), N94 (= N91), P119 (= P116), R124 (= R121), D313 (= D320), E341 (= E348), H385 (= H393), R386 (= R394), K411 (= K419)
binding phosphate ion: K22 (= K22), G96 (= G93), T97 (= T94), R124 (= R121), Q171 (= Q170), E341 (= E348), K411 (= K419)
binding shikimate-3-phosphate: K22 (= K22), S23 (= S23), R27 (= R27), T97 (= T94), S169 (= S168), S170 (= S169), Q171 (= Q170), S197 (= S199), Y200 (= Y202), D313 (= D320), N336 (≠ S343), K340 (= K347)

1g6sA Structure of epsp synthase liganded with shikimate-3-phosphate and glyphosate (see paper)
58% identity, 100% coverage: 1:434/434 of query aligns to 1:426/427 of 1g6sA

query
sites
1g6sA

M

M

D

E

Y

S

L

L

D

T

L

L

G

Q

P

P

Y

I

S

A

S

R

A

V

S

D

G

G

T

T

V

I

R

N

L

L

P

P

G

G

S

S

K
|
K

S
|
S

I

V

S

S

N

N

R
|
R

V

A

L

L

A

A

L

L

A

A

E

H

G

G

E

K

T

T

T

V

I

L

T

T

N

N

L

L

D

D

S

S

D

D

D
|
D

T

V

R

R

V

H

M

M

L

L

D

N

A

A

L

L

G

T

K

A

L

L

G

G

V

V

R

S

L

Y

T

T

R

L

D

S

A

A

D

D

T

R

-

T

-

R

C

C

V

E

V

I

A

I

G

G

T

N

R

G

G

G

A

P

F

L

T

H

A

A

R

E

T

G

A

A

-

L

D

E

L

L

F

F

L

L

G

G

N
|
N

A

A

G
|
G

T
|
T

A

A

V

M

R

R

P

P

L

L

T

A

A

A

L

L

A

C

V

L

N

G

G

S

G

N

D

D

Y

I

R

V

V

L

H

T

G

G

V

E

P
|
P

R

R

M

M

H

K

E

E

R
|
R

P

P

I

I

G

G

D

H

L

L

V

V

D

D

G

A

L

L

R

R

Q

L

I

G

G

G

A

A

Q

K

I

I

D

T

Y

Y

E

L

Q

E

N

Q

E

E

G

N

F

Y

P

P

L

L

R

R

I

L

K

Q

P

G

A

G

A

F

I

-

T

-

V

T

D

G

A

G

P

N

I

V

R

D

V

V

R

D

G

G

D

S

V

V

S
|
S

Q
|
Q

F

F

L

L

T

T

A

A

L

L

M

M

T

T

L

A

P

P

L

L

V

A

K

P

A

E

K

D

D

-

G

-

K

-

I

T

V

V

V

I

E

R

V

I

D

K

G

G

E

D

L

L

I

V

S
|
S

K

K

P

P

Y
|
Y

I

I

D

D

I

I

T

T

I

L

R

N

L

L

M

M

E

K

R

T

F

F

G

G

V

V

T

E

V

I

E

E

R

N

D

Q

G

H

W

Y

Q

Q

R

Q

F

F

V

V

P

K

A

G

G

G

V

Q

R

S

Y

Y

R

Q

S

S

P

P

G

G

R

T

I

Y

M

L

V

V

E

E

G

G

D

D

A

A

S

S

A

A

S

S

Y

Y

F

F

L

L

A

A

G

A

A

A

L

I

G

K

G

G

P

T

L

V

R

K

V

V

E

T

G

G

V

I

G

G

R

R

A

N

S

S

I

M

Q

Q

G

G

D

D

V

I

G

R

F

F

A

A

N

D

A

V

L

L

M

E

Q

K

M

M

G

G

A

A

N

T

V

I

S

C

M

W

G

G

D

D

W

Y

I

I

E

S

V

C

R

T

G

-

I

-

G

-

H

-

D

-

H

R

G

G

K

E

L

L

D

N

P

A

I

I

D

D

M

M

D

D

F

M

N

N

L

H

I

I

P

P

D
|
D

A

A

M

M

T

T

I

I

A

A

V

T

A

A

L

L

F

F

A

A

S

K

G

G

T

T

S

T

T

T

L

L

R

R

N

N

I

I

A

Y

S
x
N

W

W

R

R

V

V

K
|
K

E
|
E

T

T

D

D

R
|
R

I

L

A

F

A

A

M

M

A

A

T

T

E

E

L

L

R

R

K

K

L

V

G

G

A

A

V

E

V

V

E

E

G

G

P

H

D

D

Y

Y

L

I

V

R

V

I

T

T

P

P

Q

E

R

K

L

L

T

N

P

-

N

F

A

A

T

E

I

I

D

A

T

T

Y

Y

D

N

D

D

H
|
H

R
|
R

M

M

A

A

M

M