SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_038205562.1 NCBI__GCF_000745855.1:WP_038205562.1 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
52% identity, 66% coverage: 4:441/667 of query aligns to 1:426/426 of 3nvsA

query
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active site: K22 (= K25), S23 (= S26), D49 (= D52), N94 (= N94), P119 (= P119), R124 (= R124), H128 (≠ D128), Q135 (= Q135), Y142 (= Y142), E144 (≠ G144), A247 (= A253), A255 (= A261), D314 (= D325), E342 (= E353), H386 (= H399), R387 (= R400), K412 (= K427)
binding glyphosate: K22 (= K25), G96 (= G96), R124 (= R124), Q172 (= Q176), D314 (= D325), E342 (= E353), R345 (= R356), H386 (= H399), R387 (= R400)
binding magnesium ion: E123 (= E123), Q145 (≠ N145)
binding shikimate-3-phosphate: K22 (= K25), S23 (= S26), R27 (= R30), T97 (= T97), S170 (= S174), S171 (= S175), Q172 (= Q176), S198 (= S204), Y201 (= Y207), D314 (= D325), N337 (≠ S348), K341 (= K352)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S23 (= S26), R27 (= R30), Q172 (= Q176), Y201 (= Y207), D314 (= D325), K341 (= K352)

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)
52% identity, 66% coverage: 4:441/667 of query aligns to 1:426/426 of Q9KRB0

query
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Q9KRB0

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K22 (= K25) binding 3-phosphoshikimate
S23 (= S26) binding 3-phosphoshikimate
R27 (= R30) binding 3-phosphoshikimate
S170 (= S174) binding 3-phosphoshikimate
S171 (= S175) binding 3-phosphoshikimate
S198 (= S204) binding 3-phosphoshikimate
D314 (= D325) binding 3-phosphoshikimate
N337 (≠ S348) binding 3-phosphoshikimate
K341 (= K352) binding 3-phosphoshikimate

7tm5B Crystal structure of shikimate-3-phosphate bound 3-phosphoshikimate 1- carboxyvinyltransferase from klebsiella pneumoniae
54% identity, 65% coverage: 4:436/667 of query aligns to 1:420/427 of 7tm5B

query
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7tm5B

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I

A

Y

S
x
N

W

W

R

R

V

V

K
|
K

E

E

T

T

D

D

R

R

I

L

D

F

A

A

M

M

A

A

A

T

E

E

L

L

R

R

K

K

L

V

G

G

A

A

S

E

V

V

E

E

A

E

G

G

P

E

D

D

F

Y

I

I

R

R

V

I

M

T

P

P

L

-

P

P

A

A

G

-

G

K

W

L

H

K

R

Y

A

A

S

E

I

I

H

G

T

T

Y

Y

D

N

D

D

H

H

R

R

V

M

A

A

M

M

C

C

F

F

S

S

L

L

A

V

A

A

F

L

N

S

P

D

D

-

A

-

L

T

P

P

V

V

R

T

I

I

L

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

E

E

T

Q

L

L

binding shikimate-3-phosphate: K22 (= K25), S23 (= S26), R27 (= R30), S169 (= S174), S170 (= S175), Q171 (= Q176), S197 (= S204), Y200 (= Y207), D313 (= D325), N336 (≠ S348), K340 (= K352)

7tm6A Crystal structure of shikimate-3-phosphate and glyphosate bound 3- phosphoshikimate 1-carboxyvinyltransferase from klebsiella pneumoniae
55% identity, 65% coverage: 6:436/667 of query aligns to 2:419/426 of 7tm6A

query
sites
7tm6A

S

S

L

L

D

T

I

L

P

Q

P

P

L

I

A

A

G

R

A

V

A

E

G

G

R

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

S

A

A

R

G

G

T

T

T

V

I

L

H

T

D

N

A

L

L

L

D

D

S

S

D

D

T

V

R

R

V

H

M

M

L

L

E

N

A

A

L

L

A

S

Q

A

L

L

G

G

C

V

G

Q

V

Y

T

T

H

L

E

S

G

A

P

D

V

R

L

T

R

R

-

C

-

E

I

V

A

T

G

G

L

N

G

G

R

P

L

L

Q

R

N

S

T

A

Q

A

A

A

-

L

S

E

L

L

F

F

L

L

G

G

N

N

A

A

G
|
G

T
|
T

A

A

M

M

R

R

P

P

L

L

T

A

A

A

L

L

A

C

L

L

L

G

G

S

G

N

D

D

F

I

E

V

L

L

S

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

A

A

L

L

V

R

Q

Q

L

G

G

G

C

A

H

Q

V

I

D

D

Y

C

L

L

G

E

N

Q

P

E

G

N

Y

Y

P

P

L

L

R

R

I

L

R

R

P

G

A

G

A

F

L

Q

D

G

T

-

L

-

Q

-

L

-

D

-

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

A

T

L

A

P

P

L

L

A

A

A

P

Q

Q

H

D

Q

T

A

V

I

I

A

V

I

I

E

K

V

-

G

G

E

D

L

L

I

V

S
|
S

K

K

P

P

Y
|
Y

I

I

E

D

I

I

T

T

L

L

N

H

L

L

L

M

A

K

R

T

F

F

G

G

I

V

A

E

V

V

Q

D

R

N

E

Q

G

S

W

Y

Q

Q

R

R

F

F

V

V

I

V

P

R

A

G

G

K

S

Q

R

Q

Y

Y

A

Q

S

S

P

P

G

G

E

D

I

Y

H

L

V

V

E

E

A

G

D

D

A

A

S

S

A

A

S

S

Y

Y

F

F

I

L

A

A

L

A

G

G

A

A

I

I

A

K

A

G

P

-

A

-

S

-

S

G

P

T

L

V

R

K

I

V

D

T

G

G

V

I

G

G

A

R

D

N

S

S

I

V

Q

Q

G

G

D

D

I

I

R

R

F

F

T

A

E

D

A

V

A

L

R

E

A

K

M

M

G

G

A

A

V

T

I

V

D

T

S

W

G

G

P

D

N

D

W

F

L

I

A

A

V

C

H

T

R

H

G

G

A

-

W

-

P

E

L

L

K

K

A

A

L

V

D

D

M

M

D

D

A

M

N

N

A

H

I

I

P

P

D
|
D

A

A

M

M

T

T

L

I

A

A

V

T

M

A

A

A

L

L

Y

F

A

A

D

Q

G

G

P

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

D

F

A

A

M

M

A

A

A

T

E

E

L

L

R

R

K

K

L

V

G

G

A

A

S

E

V

V

E

E

A

E

G

G

P

E

D

D

F

Y

I

I

R

R

V

I

M

T

P

P

L

-

P

P

A

A

G

-

G

K

W

L

H

K

R

Y

A

A

S

E

I

I

H

G

T

T

Y

Y

D

N

D

D

H
|
H

R
|
R

V

M

A

A

M

M

C

C

F

F

S

S

L

L

A

V

A

A

F

L

N

S

P

D

D

-

A

-

L

T

P

P

V

V

R

T

I

I

L

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

E

E

T

Q

L

L

binding glyphosate: K21 (= K25), G95 (= G96), R123 (= R124), Q170 (= Q176), D312 (= D325), E340 (= E353), R343 (= R356), H384 (= H399), R385 (= R400)
binding shikimate-3-phosphate: S22 (= S26), R26 (= R30), T96 (= T97), S168 (= S174), S169 (= S175), Q170 (= Q176), S196 (= S204), Y199 (= Y207), D312 (= D325), N335 (≠ S348), K339 (= K352)

2pq9A E. Coli epsps liganded with (r)-difluoromethyl tetrahedral reaction intermediate analog (see paper)
52% identity, 66% coverage: 4:442/667 of query aligns to 1:426/427 of 2pq9A

query
sites
2pq9A

I

M

P

E

S

S

L

L

D

T

I

L

P

Q

P

P

L

I

A

A

G

R

A

V

A

D

G

G

R

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

S

A

A

H

G

G

T

K

T

T

T

V

I

L

H

T

D

N

A

L

L

L

D

D

S

S

D

D

D
|
D

T

V

R

R

V

H

M

M

L

L

E

N

A

A

L

L

A

T

Q

A

L

L

G

G

C

V

G

S

V

Y

T

T

H

L

E

S

G

A

P

D

V

R

L

T

R

R

-

C

-

E

I

I

A

I

G

G

L

N

G

G

R

P

L

L

Q

H

N

A

T

E

Q

G

A

A

-

L

S

E

L

L

F

F

L

L

G

G

N
|
N

A

A

G
|
G

T
|
T

A

A

M

M

R

R

P

P

L

L

T

A

A

A

L

L

A

C

L

L

L

G

G

S

G

N

D

D

F

I

E

V

L

L

S

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

A

A

L

L

V

R

Q

L

L

G

G

G

C

A

H

K

V

I

D

T

Y

Y

L

L

G

E

N

Q

P

E

G

N

Y

Y

P

P

L

L

R

R

I

L

R

Q

P

G

A

G

A

F

L

T

D

G

T

-

L

-

Q

-

L

-

D

-

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

A

T

L

A

P

P

L

L

A

A

A

P

Q

E

H

D

Q

T

A

V

I

I

A

R

I

I

E

K

V

-

G

G

E

D

L

L

I

V

S
|
S

K

K

P

P

Y
|
Y

I

I

E

D

I

I

T

T

L

L

N

N

L

L

L

M

A

K

R

T

F

F

G

G

I

V

A

E

V

I

Q

E

R

N

E

Q

G

H

W

Y

Q

Q

R

Q

F

F

V

V

I

V

P

K

A

G

G

G

S

Q

R

S

Y

Y

A

Q

S

S

P

P

G

G

E

T

I

Y

H

L

V

V

E

E

A

G

D

D

A

A

S

S

A

A

S

S

Y

Y

F

F

I

L

A

A

L

A

G

A

A

A

I

I

A

K

A

G

P

-

A

-

S

-

S

G

P

T

L

V

R

K

I

V

D

T

G

G

V

I

G

G

A

R

D

N

S

S

I

M

Q

Q

G

G

D

D

I

I

R

R

F

F

T

A

E

D

A

V

A

L

R

E

A

K

M

M

G

G

A

A

V

T

I

I

D

C

S

W

G

G

P

D

N

D

W

Y

L

I

A

S

V

C

H

T

R

R

G

G

A

-

W

-

P

E

L

L

K

N

A

A

L

I

D

D

M

M

D

D

A

M

N

N

A

H

I

I

P

P

D
|
D

A

A

M

M

T

T

L

I

A

A

V

T

M

A

A

A

L

L

Y

F

A

A

D

K

G

G

P

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

D

F

A

A

M

M

A

A

A

T

E

E

L

L

R

R

K

K

L

V

G

G

A

A

S

E

V

V

E

E

A

E

G

G

P

H

D

D

F

Y

I

I

R

R

V

I

M

T

P

P

L

P

P

E

A

K

G

-

W

L

H

N

R

F

A

A

S

E

I

I

H

A

T

T

Y

Y

D

N

D

D

H
|
H

R
|
R

V

M

A

A

M

M

C

C

F

F

S

S

L

L

A

V

A

A

F

L

N

S

P

D

D

T

A

-

L

-

P

P

V

V

R

T

I

I

L

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

E

E

T

Q

L

L

F

A

S

R

V

I

V

S

R

Q

A

A

active site: K22 (= K25), S23 (= S26), D49 (= D52), N94 (= N94), P119 (= P119), R124 (= R124), D313 (= D325), E341 (= E353), H385 (= H399), R386 (= R400), K411 (= K427)
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 (= G96), T97 (= T97), R124 (= R124), S169 (= S174), S170 (= S175), Q171 (= Q176), S197 (= S204), Y200 (= Y207), D313 (= D325), N336 (≠ S348), K340 (= K352), R344 (= R356), H385 (= H399), R386 (= R400), K411 (= K427)

2aa9A Epsp synthase liganded with shikimate (see paper)
52% identity, 66% coverage: 4:442/667 of query aligns to 1:426/427 of 2aa9A

query
sites
2aa9A

I

M

P

E

S

S

L

L

D

T

I

L

P

Q

P

P

L

I

A

A

G

R

A

V

A

D

G

G

R

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

S

A

A

H

G

G

T

K

T

T

T

V

I

L

H

T

D

N

A

L

L

L

D

D

S

S

D

D

D
|
D

T

V

R

R

V

H

M

M

L

L

E

N

A

A

L

L

A

T

Q

A

L

L

G

G

C

V

G

S

V

Y

T

T

H

L

E

S

G

A

P

D

V

R

L

T

R

R

-

C

-

E

I

I

A

I

G

G

L

N

G

G

R

P

L

L

Q

H

N

A

T

E

Q

G

A

A

-

L

S

E

L

L

F

F

L

L

G

G

N
|
N

A

A

G

G

T
|
T

A

A

M

M

R

R

P

P

L

L

T

A

A

A

L

L

A

C

L

L

L

G

G

S

G

N

D

D

F

I

E

V

L

L

S

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

A

A

L

L

V

R

Q

L

L

G

G

G

C

A

H

K

V

I

D

T

Y

Y

L

L

G

E

N

Q

P

E

G

N

Y

Y

P

P

L

L

R

R

I

L

R

Q

P

G

A

G

A

F

L

T

D

G

T

-

L

-

Q

-

L

-

D

-

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

A

T

L

A

P

P

L

L

A

A

A

P

Q

E

H

D

Q

T

A

V

I

I

A

R

I

I

E

K

V

-

G

G

E

D

L

L

I

V

S

S

K

K

P

P

Y
|
Y

I

I

E

D

I

I

T

T

L

L

N

N

L

L

L

M

A

K

R

T

F

F

G

G

I

V

A

E

V

I

Q

E

R

N

E

Q

G

H

W

Y

Q

Q

R

Q

F

F

V

V

I

V

P

K

A

G

G

G

S

Q

R

S

Y

Y

A

Q

S

S

P

P

G

G

E

T

I

Y

H

L

V

V

E

E

A

G

D

D

A

A

S

S

A

A

S

S

Y

Y

F

F

I

L

A

A

L

A

G

A

A

A

I

I

A

K

A

G

P

-

A

-

S

-

S

G

P

T

L

V

R

K

I

V

D

T

G

G

V

I

G

G

A

R

D

N

S

S

I

M

Q

Q

G

G

D

D

I

I

R

R

F

F

T

A

E

D

A

V

A

L

R

E

A

K

M

M

G

G

A

A

V

T

I

I

D

C

S

W

G

G

P

D

N

D

W

Y

L

I

A

S

V

C

H

T

R

R

G

G

A

-

W

-

P

E

L

L

K

N

A

A

L

I

D

D

M

M

D

D

A

M

N

N

A

H

I

I

P

P

D
|
D

A

A

M

M

T

T

L

I

A

A

V

T

M

A

A

A

L

L

Y

F

A

A

D

K

G

G

P

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

D

F

A

A

M

M

A

A

A

T

E

E

L

L

R

R

K

K

L

V

G

G

A

A

S

E

V

V

E

E

A

E

G

G

P

H

D

D

F

Y

I

I

R

R

V

I

M

T

P

P

L

P

P

E

A

K

G

-

W

L

H

N

R

F

A

A

S

E

I

I

H

A

T

T

Y

Y

D

N

D

D

H
|
H

R
|
R

V

M

A

A

M

M

C

C

F

F

S

S

L

L

A

V

A

A

F

L

N

S

P

D

D

T

A

-

L

-

P

P

V

V

R

T

I

I

L

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

E

E

T

Q

L

L

F

A

S

R

V

I

V

S

R

Q

A

A

active site: K22 (= K25), S23 (= S26), D49 (= D52), N94 (= N94), P119 (= P119), R124 (= R124), D313 (= D325), E341 (= E353), H385 (= H399), R386 (= R400), K411 (= K427)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: K22 (= K25), S23 (= S26), R27 (= R30), T97 (= T97), Q171 (= Q176), Y200 (= Y207), D313 (= D325), K340 (= K352)

1x8tA Epsps liganded with the (r)-phosphonate analog of the tetrahedral reaction intermediate (see paper)
52% identity, 66% coverage: 4:442/667 of query aligns to 1:426/427 of 1x8tA

query
sites
1x8tA

I

M

P

E

S

S

L

L

D

T

I

L

P

Q

P

P

L

I

A

A

G

R

A

V

A

D

G

G

R

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

S

A

A

H

G

G

T

K

T

T

T

V

I

L

H

T

D

N

A

L

L

L

D

D

S

S

D

D

D
|
D

T

V

R

R

V

H

M

M

L

L

E

N

A

A

L

L

A

T

Q

A

L

L

G

G

C

V

G

S

V

Y

T

T

H

L

E

S

G

A

P

D

V

R

L

T

R

R

-

C

-

E

I

I

A

I

G

G

L

N

G

G

R

P

L

L

Q

H

N

A

T

E

Q

G

A

A

-

L

S

E

L

L

F

F

L

L

G

G

N
|
N

A

A

G

G

T
|
T

A

A

M

M

R

R

P

P

L

L

T

A

A

A

L

L

A

C

L

L

L

G

G

S

G

N

D

D

F

I

E

V

L

L

S

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

A

A

L

L

V

R

Q

L

L

G

G

G

C

A

H

K

V

I

D

T

Y

Y

L

L

G

E

N

Q

P

E

G

N

Y

Y

P

P

L

L

R

R

I

L

R

Q

P

G

A

G

A

F

L

T

D

G

T

-

L

-

Q

-

L

-

D

-

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

A

T

L

A

P

P

L

L

A

A

A

P

Q

E

H

D

Q

T

A

V

I

I

A

R

I

I

E

K

V

-

G

G

E

D

L

L

I

V

S
|
S

K

K

P

P

Y
|
Y

I

I

E

D

I

I

T

T

L

L

N

N

L

L

L

M

A

K

R

T

F

F

G

G

I

V

A

E

V

I

Q

E

R

N

E

Q

G

H

W

Y

Q

Q

R

Q

F

F

V

V

I

V

P

K

A

G

G

G

S

Q

R

S

Y

Y

A

Q

S

S

P

P

G

G

E

T

I

Y

H

L

V

V

E

E

A

G

D

D

A

A

S

S

A

A

S

S

Y

Y

F

F

I

L

A

A

L

A

G

A

A

A

I

I

A

K

A

G

P

-

A

-

S

-

S

G

P

T

L

V

R

K

I

V

D

T

G

G

V

I

G

G

A

R

D

N

S

S

I

M

Q

Q

G

G

D

D

I

I

R

R

F

F

T

A

E

D

A

V

A

L

R

E

A

K

M

M

G

G

A

A

V

T

I

I

D

C

S

W

G

G

P

D

N

D

W

Y

L

I

A

S

V

C

H

T

R

R

G

G

A

-

W

-

P

E

L

L

K

N

A

A

L

I

D

D

M

M

D

D

A

M

N

N

A

H

I

I

P

P

D
|
D

A

A

M

M

T

T

L

I

A

A

V

T

M

A

A

A

L

L

Y

F

A

A

D

K

G

G

P

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

D

F

A

A

M

M

A

A

A

T

E

E

L

L

R

R

K

K

L

V

G

G

A

A

S

E

V

V

E

E

A

E

G

G

P

H

D

D

F

Y

I

I

R

R

V

I

M

T

P

P

L

P

P

E

A

K

G

-

W

L

H

N

R

F

A

A

S

E

I

I

H

A

T

T

Y

Y

D

N

D

D

H
|
H

R
|
R

V

M

A

A

M

M

C

C

F

F

S

S

L

L

A

V

A

A

F

L

N

S

P

D

D

T

A

-

L

-

P

P

V

V

R

T

I

I

L

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

E

E

T

Q

L

L

F

A

S

R

V

I

V

S

R

Q

A

A

active site: K22 (= K25), S23 (= S26), D49 (= D52), N94 (= N94), P119 (= P119), R124 (= R124), D313 (= D325), E341 (= E353), H385 (= H399), R386 (= R400), K411 (= K427)
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 (= T97), S169 (= S174), S170 (= S175), Q171 (= Q176), S197 (= S204), Y200 (= Y207), D313 (= D325), N336 (≠ S348), K340 (= K352), R344 (= R356), H385 (= H399), R386 (= R400)

1x8rA Epsps liganded with the (s)-phosphonate analog of the tetrahedral reaction intermediate (see paper)
52% identity, 66% coverage: 4:442/667 of query aligns to 1:426/427 of 1x8rA

query
sites
1x8rA

I

M

P

E

S

S

L

L

D

T

I

L

P

Q

P

P

L

I

A

A

G

R

A

V

A

D

G

G

R

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

S

A

A

H

G

G

T

K

T

T

T

V

I

L

H

T

D

N

A

L

L

L

D

D

S

S

D

D

D
|
D

T

V

R

R

V

H

M

M

L

L

E

N

A

A

L

L

A

T

Q

A

L

L

G

G

C

V

G

S

V

Y

T

T

H

L

E

S

G

A

P

D

V

R

L

T

R

R

-

C

-

E

I

I

A

I

G

G

L

N

G

G

R

P

L

L

Q

H

N

A

T

E

Q

G

A

A

-

L

S

E

L

L

F

F

L

L

G

G

N
|
N

A

A

G
|
G

T
|
T

A

A

M

M

R

R

P

P

L

L

T

A

A

A

L

L

A

C

L

L

L

G

G

S

G

N

D

D

F

I

E

V

L

L

S

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

A

A

L

L

V

R

Q

L

L

G

G

G

C

A

H

K

V

I

D

T

Y

Y

L

L

G

E

N

Q

P

E

G

N

Y

Y

P

P

L

L

R

R

I

L

R

Q

P

G

A

G

A

F

L

T

D

G

T

-

L

-

Q

-

L

-

D

-

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

A

T

L

A

P

P

L

L

A

A

A

P

Q

E

H

D

Q

T

A

V

I

I

A

R

I

I

E

K

V

-

G

G

E

D

L

L

I

V

S
|
S

K

K

P

P

Y
|
Y

I

I

E

D

I

I

T

T

L

L

N

N

L

L

L

M

A

K

R

T

F

F

G

G

I

V

A

E

V

I

Q

E

R

N

E

Q

G

H

W

Y

Q

Q

R

Q

F

F

V

V

I

V

P

K

A

G

G

G

S

Q

R

S

Y

Y

A

Q

S

S

P

P

G

G

E

T

I

Y

H

L

V

V

E

E

A

G

D

D

A

A

S

S

A

A

S

S

Y

Y

F

F

I

L

A

A

L

A

G

A

A

A

I

I

A

K

A

G

P

-

A

-

S

-

S

G

P

T

L

V

R

K

I

V

D

T

G

G

V

I

G

G

A

R

D

N

S

S

I

M

Q

Q

G

G

D

D

I

I

R

R

F

F

T

A

E

D

A

V

A

L

R

E

A

K

M

M

G

G

A

A

V

T

I

I

D

C

S

W

G

G

P

D

N

D

W

Y

L

I

A

S

V

C

H

T

R

R

G

G

A

-

W

-

P

E

L

L

K

N

A

A

L

I

D

D

M

M

D

D

A

M

N

N

A

H

I

I

P

P

D
|
D

A

A

M

M

T

T

L

I

A

A

V

T

M

A

A

A

L

L

Y

F

A

A

D

K

G

G

P

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

D

F

A

A

M

M

A

A

A

T

E

E

L

L

R

R

K

K

L

V

G

G

A

A

S

E

V

V

E

E

A

E

G

G

P

H

D

D

F

Y

I

I

R

R

V

I

M

T

P

P

L

P

P

E

A

K

G

-

W

L

H

N

R

F

A

A

S

E

I

I

H

A

T

T

Y

Y

D

N

D

D

H
|
H

R
|
R

V

M

A

A

M

M

C

C

F

F

S

S

L

L

A

V

A

A

F

L

N

S

P

D

D

T

A

-

L

-

P

P

V

V

R

T

I

I

L

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

E

E

T

Q

L

L

F

A

S

R

V

I

V

S

R

Q

A

A

active site: K22 (= K25), S23 (= S26), D49 (= D52), N94 (= N94), P119 (= P119), R124 (= R124), D313 (= D325), E341 (= E353), H385 (= H399), R386 (= R400), K411 (= K427)
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 (= G96), T97 (= T97), R124 (= R124), S169 (= S174), S170 (= S175), Q171 (= Q176), S197 (= S204), Y200 (= Y207), D313 (= D325), N336 (≠ S348), K340 (= K352), E341 (= E353), H385 (= H399), K411 (= K427)

1g6tA Structure of epsp synthase liganded with shikimate-3-phosphate (see paper)
52% identity, 66% coverage: 4:442/667 of query aligns to 1:426/427 of 1g6tA

query
sites
1g6tA

I

M

P

E

S

S

L

L

D

T

I

L

P

Q

P

P

L

I

A

A

G

R

A

V

A

D

G

G

R

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

S

A

A

H

G

G

T

K

T

T

T

V

I

L

H

T

D

N

A

L

L

L

D

D

S

S

D

D

D
|
D

T

V

R

R

V

H

M

M

L

L

E

N

A

A

L

L

A

T

Q

A

L

L

G

G

C

V

G

S

V

Y

T

T

H

L

E

S

G

A

P

D

V

R

L

T

R

R

-

C

-

E

I

I

A

I

G

G

L

N

G

G

R

P

L

L

Q

H

N

A

T

E

Q

G

A

A

-

L

S

E

L

L

F

F

L

L

G

G

N
|
N

A

A

G
|
G

T
|
T

A

A

M

M

R

R

P

P

L

L

T

A

A

A

L

L

A

C

L

L

L

G

G

S

G

N

D

D

F

I

E

V

L

L

S

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

A

A

L

L

V

R

Q

L

L

G

G

G

C

A

H

K

V

I

D

T

Y

Y

L

L

G

E

N

Q

P

E

G

N

Y

Y

P

P

L

L

R

R

I

L

R

Q

P

G

A

G

A

F

L

T

D

G

T

-

L

-

Q

-

L

-

D

-

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

A

T

L

A

P

P

L

L

A

A

A

P

Q

E

H

D

Q

T

A

V

I

I

A

R

I

I

E

K

V

-

G

G

E

D

L

L

I

V

S
|
S

K

K

P

P

Y
|
Y

I

I

E

D

I

I

T

T

L

L

N

N

L

L

L

M

A

K

R

T

F

F

G

G

I

V

A

E

V

I

Q

E

R

N

E

Q

G

H

W

Y

Q

Q

R

Q

F

F

V

V

I

V

P

K

A

G

G

G

S

Q

R

S

Y

Y

A

Q

S

S

P

P

G

G

E

T

I

Y

H

L

V

V

E

E

A

G

D

D

A

A

S

S

A

A

S

S

Y

Y

F

F

I

L

A

A

L

A

G

A

A

A

I

I

A

K

A

G

P

-

A

-

S

-

S

G

P

T

L

V

R

K

I

V

D

T

G

G

V

I

G

G

A

R

D

N

S

S

I

M

Q

Q

G

G

D

D

I

I

R

R

F

F

T

A

E

D

A

V

A

L

R

E

A

K

M

M

G

G

A

A

V

T

I

I

D

C

S

W

G

G

P

D

N

D

W

Y

L

I

A

S

V

C

H

T

R

R

G

G

A

-

W

-

P

E

L

L

K

N

A

A

L

I

D

D

M

M

D

D

A

M

N

N

A

H

I

I

P

P

D
|
D

A

A

M

M

T

T

L

I

A

A

V

T

M

A

A

A

L

L

Y

F

A

A

D

K

G

G

P

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

D

F

A

A

M

M

A

A

A

T

E

E

L

L

R

R

K

K

L

V

G

G

A

A

S

E

V

V

E

E

A

E

G

G

P

H

D

D

F

Y

I

I

R

R

V

I

M

T

P

P

L

P

P

E

A

K

G

-

W

L

H

N

R

F

A

A

S

E

I

I

H

A

T

T

Y

Y

D

N

D

D

H
|
H

R
|
R

V

M

A

A

M

M

C

C

F

F

S

S

L

L

A

V

A

A

F

L

N

S

P

D

D

T

A

-

L

-

P

P

V

V

R

T

I

I

L

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

E

E

T

Q

L

L

F

A

S

R

V

I

V

S

R

Q

A

A

active site: K22 (= K25), S23 (= S26), D49 (= D52), N94 (= N94), P119 (= P119), R124 (= R124), D313 (= D325), E341 (= E353), H385 (= H399), R386 (= R400), K411 (= K427)
binding phosphate ion: K22 (= K25), G96 (= G96), T97 (= T97), R124 (= R124), Q171 (= Q176), E341 (= E353), K411 (= K427)
binding shikimate-3-phosphate: K22 (= K25), S23 (= S26), R27 (= R30), T97 (= T97), S169 (= S174), S170 (= S175), Q171 (= Q176), S197 (= S204), Y200 (= Y207), D313 (= D325), N336 (≠ S348), K340 (= K352)

1g6sA Structure of epsp synthase liganded with shikimate-3-phosphate and glyphosate (see paper)
52% identity, 66% coverage: 4:442/667 of query aligns to 1:426/427 of 1g6sA

query
sites
1g6sA

I

M

P

E

S

S

L

L

D

T

I

L

P

Q

P

P

L

I

A

A

G

R

A

V

A

D

G

G

R

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

S

A

A

H

G

G

T

K

T

T

T

V

I

L

H

T

D

N

A

L

L

L

D

D

S

S

D

D

D
|
D

T

V

R

R

V

H

M

M

L

L

E

N

A

A

L

L

A

T

Q

A

L

L

G

G

C

V

G

S

V

Y

T

T

H

L

E

S

G

A

P

D

V

R

L

T

R

R

-

C

-

E

I

I

A

I

G

G

L

N

G

G

R

P

L

L

Q

H

N

A

T

E

Q

G

A

A

-

L

S

E

L

L

F

F

L

L

G

G

N
|
N

A

A

G
|
G

T
|
T

A

A

M

M

R

R

P

P

L

L

T

A

A

A

L

L

A

C

L

L

L

G

G

S

G

N

D

D

F

I

E

V

L

L

S

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

A

A

L

L

V

R

Q

L

L

G

G

G

C

A

H

K

V

I

D

T

Y

Y

L

L

G

E

N

Q

P

E

G

N

Y

Y

P

P

L

L

R

R

I

L

R

Q

P

G

A

G

A

F

L

T

D

G

T

-

L

-

Q

-

L

-

D

-

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

A

T

L

A

P

P

L

L

A

A

A

P

Q

E

H

D

Q

T

A

V

I

I

A

R

I

I

E

K

V

-

G

G

E

D

L

L

I

V

S
|
S

K

K

P

P

Y
|
Y

I

I

E

D

I

I

T

T

L

L

N

N

L

L

L

M

A

K

R

T

F

F

G

G

I

V

A

E

V

I

Q

E

R

N

E

Q

G

H

W

Y

Q

Q

R

Q

F

F

V

V

I

V

P

K

A

G

G

G

S

Q

R

S

Y

Y

A

Q

S

S

P

P

G

G

E

T

I

Y

H

L

V

V

E

E

A

G

D

D

A

A

S

S

A

A

S

S

Y

Y

F

F

I

L

A

A

L

A

G

A

A

A

I

I

A

K

A

G

P

-

A

-

S

-

S

G

P

T

L

V

R

K

I

V

D

T

G

G

V

I

G

G

A

R

D

N

S

S

I

M

Q

Q

G

G

D

D

I

I

R

R

F

F

T

A

E

D

A

V

A

L

R

E

A

K

M

M

G

G

A

A

V

T

I

I

D

C

S

W

G

G

P

D

N

D

W

Y

L

I

A

S

V

C

H

T

R

R

G

G

A

-

W

-

P

E

L

L

K

N

A

A

L

I

D

D

M

M

D

D

A

M

N

N

A

H

I

I

P

P

D
|
D

A

A

M

M

T

T

L

I

A

A

V

T

M

A

A

A

L

L

Y

F

A

A

D

K

G

G

P

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

D

F

A

A

M

M

A

A

A

T

E

E

L

L

R

R

K

K

L

V

G

G

A

A

S

E

V

V

E

E

A

E

G

G

P

H