SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Echvi_0120 FitnessBrowser__Cola:Echvi_0120 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)

1zcoB Crystal structure of pyrococcus furiosus 3-deoxy-d-arabino- heptulosonate 7-phosphate synthase (see paper)
33% identity, 66% coverage: 15:258/367 of query aligns to 22:256/262 of 1zcoB

query
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1zcoB

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binding manganese (ii) ion: C31 (= C24), H201 (= H203), E227 (= E229), D238 (= D240)
binding phosphoenolpyruvate: R55 (= R50), K60 (= K55), Q111 (≠ W107), A114 (= A110), K136 (= K136), R166 (= R166), H201 (= H203)

1zcoA Crystal structure of pyrococcus furiosus 3-deoxy-d-arabino- heptulosonate 7-phosphate synthase (see paper)
33% identity, 66% coverage: 15:258/367 of query aligns to 22:256/262 of 1zcoA

query
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1zcoA

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binding phosphoenolpyruvate: R55 (= R50), Q111 (≠ W107), G113 (= G109), A114 (= A110), K136 (= K136), R166 (= R166), H201 (= H203)

4c1kA Crystal structure of pyrococcus furiosus 3-deoxy-d-arabino- heptulosonate 7-phosphate synthase (see paper)
33% identity, 66% coverage: 15:258/367 of query aligns to 22:256/262 of 4c1kA

query
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4c1kA

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binding carbonate ion: R115 (= R111), K136 (= K136)
binding phosphoenolpyruvate: R55 (= R50), A114 (= A110), K136 (= K136), R166 (= R166), H201 (= H203)

4grsA Crystal structure of a chimeric dah7ps (see paper)
33% identity, 65% coverage: 19:258/367 of query aligns to 97:327/333 of 4grsA

query
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Sites not aligning to the query:

binding tyrosine: 1, 31, 33, 35, 36, 38, 40, 41, 42, 43, 45

5j6fA Crystal structure of dah7ps-cm complex from geobacillus sp. With prephenate (see paper)
31% identity, 67% coverage: 12:257/367 of query aligns to 112:348/352 of 5j6fA

query
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5j6fA

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I

V

binding manganese (ii) ion: C124 (= C24), H294 (= H203), E320 (= E229), D331 (= D240)

Sites not aligning to the query:

binding prephenic acid: 25, 32, 36, 44, 45, 48, 52

3tfcA 1.95 angstrom crystal structure of a bifunctional 3-deoxy-7- phosphoheptulonate synthase/chorismate mutase (aroa) from listeria monocytogenes egd-e in complex with phosphoenolpyruvate (see paper)
34% identity, 62% coverage: 18:245/367 of query aligns to 107:325/343 of 3tfcA

query
sites
3tfcA

V

V

I

F

I

V

A

F

G

G

P

P

C
|
C

S

S

A

V

E

E

T

S

P

Y

E

E

Q

Q

V

V

E

A

K

A

V

V

C

A

L

E

E

S

M

I

K

K

E

A

Q

K

N

G

I

L

I

-

P

-

S

K

M

L

F

I

R
|
R

A

G

G

G

I

A

W

F

K

K

P

P

R

R

T

T

R

S

P

P

G

Y

S

D

F

F

E

Q

G

G

I

L

G

G

E

L

D

E

G

G

L

L

K

K

W

I

M

L

E

K

I

R

V

V

R

S

H

D

H

E

L

Y

N

G

I

L

P

G

I

V

T

I

T

S

E

E

V

I

G

V

N

T

T

P

A

A

H

D

V

I

E

E

L

V

A

A

L

L

K

D

H

Y

K

-

V

V

D

D

V

V

L

I

W
x
Q

I

I

G

G

A
|
A

R

R

T

N

T

M

V

Q

N

N

P

-

F

-

A

-

V

-

Q

F

E

E

I

L

A

L

E

K

A

A

L

A

K

G

G

R

T

V

D

D

I

K

P

P

V

I

M

L

V

L

K
|
K

N

R

P

G

M

L

N

S

P

A

D

T

L

I

Q

E

L

E

W

F

I

I

G

G

A

A

L

A

E

E

R

Y

L

I

H

M

A

S

V

Q

G

G

I

N

N

G

K

K

L

I

A

I

A

L

I

C

H

E

R
|
R

G

G

F

I

S

R

D

-

A

T

Y

Y

D

E

K

K

R

A

F

T

R

R

N

N

K

T

P

L

N

D

W

I

S

S

M

A

P

V

I

P

H

I

L

L

K

K

R

K

E

E

W

T

K

H

G

-

M

L

E

P

V

V

I

M

N

V

D

D

P

V

S

T

H
|
H

I

S

V

T

G

G

K

R

R

K

D

D

G

L

I

L

L

L

E

P

I

C

S

A

Q

K

R

A

A

A

I

L

N

A

F

I

G

E

L

A

D

D

G

G

L

V

M

M

I

A

E
|
E

T

V

H

H

H

P

D

D

P

P

D

A

N

V

A

A

W

L

S

S

D
|
D

A

S

K

A

Q

Q

Q

Q

V

M

binding manganese (ii) ion: C113 (= C24), H283 (= H203), E309 (= E229), D320 (= D240)
binding phosphoenolpyruvate: R137 (= R50), Q193 (≠ W107), A196 (= A110), K218 (= K136), R248 (= R166), H283 (= H203)

3nvtA 1.95 angstrom crystal structure of a bifunctional 3-deoxy-7- phosphoheptulonate synthase/chorismate mutase (aroa) from listeria monocytogenes egd-e (see paper)
34% identity, 62% coverage: 18:245/367 of query aligns to 108:326/345 of 3nvtA

query
sites
3nvtA

V

V

I

F

I

V

A

F

G

G

P

P

C
|
C

S

S

A

V

E

E

T

S

P

Y

E

E

Q

Q

V

V

E

A

K

A

V

V

C

A

L

E

E

S

M

I

K

K

E

A

Q

K

N

G

I

L

I

-

P

-

S

K

M

L

F

I

R

R

A

G

G

G

I

A

W

F

K

K

P

P

R

R

T

T

R

S

P

P

G

Y

S

D

F

F

E

Q

G

G

I

L

G

G

E

L

D

E

G

G

L

L

K

K

W

I

M

L

E

K

I

R

V

V

R

S

H

D

H

E

L

Y

N

G

I

L

P

G

I

V

T

I

T

S

E

E

V

I

G

V

N

T

T

P

A

A

H

D

V

I

E

E

L

V

A

A

L

L

K

D

H

Y

K

-

V

V

D

D

V

V

L

I

W

Q

I

I

G

G

A

A

R

R

T

N

T

M

V

Q

N

N

P

-

F

-

A

-

V

-

Q

F

E

E

I

L

A

L

E

K

A

A

L

A

K

G

G

R

T

V

D

D

I

K

P

P

V

I

M

L

V

L

K

K

N

R

P

G

M

L

N

S

P

A

D

T

L

I

Q

E

L

E

W

F

I

I

G

G

A

A

L

A

E

E

R

Y

L

I

H

M

A

S

V

Q

G

G

I

N

N

G

K

K

L

I

A

I

A

L

I

C

H

E

R

R

G

G

F

I

S

R

D

-

A

T

Y

Y

D

E

K

K

R

A

F

T

R

R

N

N

K

T

P

L

N

D

W

I

S

S

M

A

P

V

I

P

H

I

L

L

K

K

R

K

E

E

W

T

K

H

G

-

M

L

E

P

V

V

I

M

N

V

D

D

P

V

S

T

H
|
H

I

S

V

T

G

G

K

R

R

K

D

D

G

L

I

L

L

L

E

P

I

C

S

A

Q

K

R

A

A

A

I

L

N

A

F

I

G

E

L

A

D

D

G

G

L

V

M

M

I

A

E
|
E

T

V

H

H

H

P

D

D

P

P

D

A

N

V

A

A

W

L

S

S

D
|
D

A

S

K

A

Q

Q

Q

Q

V

M

binding manganese (ii) ion: C114 (= C24), H284 (= H203), E310 (= E229), D321 (= D240)

P39912 Protein AroA(G); EC 2.5.1.54; EC 5.4.99.5 from Bacillus subtilis (strain 168) (see paper)
35% identity, 62% coverage: 19:246/367 of query aligns to 121:339/358 of P39912

query
sites
P39912

I

F

I

I

A

V

G

G

P

P

C

C

S

A

A

V

E

E

T

S

P

Y

E

E

Q

Q

V

V

E

A

K

E

V

V

C

A

L

A

E

A

M

A

K

K

E

K

Q

Q

N

G

I

I

I

-

P

-

S

K

M

I

F

L

R

R

A

G

G

G

I

A

W

F

K

K

P

P

R

R

T

T

R

S

P

P

G

Y

S

D

F

F

E

Q

G

G

I

L

G

G

E

V

D

E

G

G

L

L

K

Q

W

I

M

L

E

K

I

R

V

V

R

A

H

D

H

E

L

F

N

D

I

L

P

A

I

V

T

I

T

S

E

E

V

I

G

V

N

T

T

P

A

A

H

H

V

I

E

E

L

E

A

A

L

L

K

D

H

Y

K

-

V

I

D

D

V

V

L

I

W

Q

I

I

G

G

A

A

R

R

T

N

T

M

V

Q

N

N

P

-

F

F

A

E

V

L

Q

L

E

K

I

A

A

A

E

G

A

A

L

V

K

K

G

K

T

-

D

-

I

-

P

P

V

V

M

L

V

L

K

K

N

R

P

G

M

L

N

A

P

A

D

T

L

I

Q

S

L

E

W

F

I

I

G

N

A

A

L

A

E

E

R

Y

L

I

H

M

A

S

V

Q

G

G

I

N

N

D

K

Q

L

I

A

I

A

L

I

C

H

E

R

R

G

G

F

I

S

R

D

-

A

T

Y

Y

D

E

K

T

R

A

F

T

R

R

N

N

K

T

P

L

N

D

W

I

S

S

M

A

P

V

I

P

H

I

L

L

K

K

R

Q

E

E

W

T

K

H

G

-

M

L

E

P

V

V

I

F

N

V

D

D

P

V

S

T

H

H

I

S

V

T

G

G

K

R

R

R

D

D

G

L

I

L

L

L

E

P

I

T

S

A

Q

K

R

A

A

A

I

L

N

A

F

I

G

G

L

A

D

D

G

G

L

V

M

M

I

A

E

E

T

V

H

H

H

P

D

D

P

P

D

S

N

V

A

A

W

L

S

S

D

D

A

S

K

A

Q

Q

Q

Q

V

M

T

A

Sites not aligning to the query:

2 modified: Phosphoserine

3pg9A Thermotoga maritima dah7p synthase in complex with inhibitor (see paper)
28% identity, 65% coverage: 19:257/367 of query aligns to 97:326/338 of 3pg9A

query
sites
3pg9A

I

I

I

I

A

A

G

G

P

P

C

C

S

S

A

V

E

E

T

G

P

R

E

E

Q

M

V

L

E

M

K

E

V

T

C

A

L

H

E

F

M

L

K

S

E

E

Q

L

N

G

I

V

I

-

P

-

S

K

M

V

F

L

R

R

A

G

G

G

I

A

W

Y

K

K

P

P

R

R

T

T

R

S

P

P

G

Y

S

S

F

F

E

Q

G

G

I

L

G

G

E

E

D

K

G

G

L

L

K

E

W

Y

M

L

E

R

I

E

V

A

R

A

H

D

H

K

L

Y

N

G

I

M

P

Y

I

V

T

V

T

T

E

E

V

A

G

L

N

G

T

E

A

D

H

D

V

L

E

P

L

K

A

V

L

A

K

E

H

Y

K

-

V

A

D

D

V

I

L

I

W

Q

I

I

G

G

A

A

R

R

T

N

T

A

V

Q

N

N

P

F

F

R

A

L

V

L

Q

S

E

K

I

A

A

G

E

S

A

Y

L

N

K

K

G

-

T

-

D

-

I

-

P

P

V

V

M

L

V

L

K

K

N

R

P

G

M

F

N

M

P

N

D

T

L

I

Q

E

L

E

W

F

I

L

G

L

A

S

L

A

E

E

R

Y

L

I

H

A

A

N

V

S

G

G

I

N

N

T

K

K

L

I

A

I

A

L

I

C

H

E

R

R

G

G

F

I

S

R

D

-

A

T

Y

F

D

E

K

K

R

A

F

T

R

R

N

N

K

T

P

L

N

D

W

I

S

S

M

-

P

A

I

V

H

P

L

I

K

I

R

R

E

K

W

E

K

S

G

H

M

L

E

P

V

I

I

L

N

V

D

D

P

P

S

S

H

H

I

S

V

G

G

G

K

R

R

R

D

D

G

L

I

V

L

I

E

P

I

L

S

S

Q

R

R

A

A

A

I

I

N

A

F

V

G

G

L

A

D

H

G

G

L

I

M

I

I

V

E

E

T

V

H

H

H

P

D

E

P

P

D

E

N

K

A

A

W

L

S

S

D

D

A

G

K

K

Q

Q

Q

S

V

L

T

D

P

F

A

E

Q

L

L

F

K

K

D

E

I

L

L

V

S

Q

K

E

I

M

Sites not aligning to the query:

binding tyrosine: 1, 31, 33, 34, 35, 36, 38, 40, 41, 42, 43, 66

1rzmA Crystal structure of 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase (dahps) from thermotoga maritima complexed with cd2+, pep and e4p (see paper)
28% identity, 65% coverage: 19:257/367 of query aligns to 97:326/338 of 1rzmA

query
sites
1rzmA

I

I

I

I

A

A

G

G

P

P

C

C

S

S

A

V

E

E

T

G

P

R

E

E

Q

M

V

L

E

M

K

E

V

T

C

A

L

H

E

F

M

L

K

S

E

E

Q

L

N

G

I

V

I

-

P

-

S

K

M

V

F

L

R
|
R

A

G

G

G

I

A

W

Y

K
|
K

P
|
P

R
|
R

T
|
T

R

S

P

P

G

Y

S

S

F

F

E

Q

G

G

I

L

G

G

E

E

D

K

G

G

L

L

K

E

W

Y

M

L

E

R

I

E

V

A

R

A

H

D

H

K

L

Y

N

G

I

M

P

Y

I

V

T

V

T

T

E

E

V

A

G

L

N

G

T

E

A

D

H

D

V

L

E

P

L

K

A

V

L

A

K

E

H

Y

K

-

V

A

D

D

V

I

L

I

W
x
Q

I

I

G
|
G

A
|
A

R
|
R

T

N

T

A

V

Q

N

N

P

F

F

R

A

L

V

L

Q

S

E

K

I

A

A

G

E

S

A

Y

L

N

K

K

G

-

T

-

D

-

I

-

P

P

V

V

M

L

V

L

K
|
K

N

R

P

G

M

F

N

M

P

N

D

T

L

I

Q

E

L

E

W

F

I

L

G

L

A

S

L

A

E

E

R

Y

L

I

H

A

A

N

V

S

G

G

I

N

N

T

K

K

L

I

A

I

A

L

I

C

H

E

R
|
R

G

G

F

I

S

R

D

-

A

T

Y

F

D

E

K

K

R

A

F

T

R

R

N

N

K

T

P

L

N

D

W

I

S

S

M

-

P

A

I

V

H

P

L

I

K

I

R

R

E

K

W

E

K

S

G

H

M

L

E

P

V

I

I

L

N

V

D

D

P

P

S

S

H
|
H

I

S

V

G

G

G

K

R

R

R

D

D

G

L

I

V

L

I

E

P

I

L

S

S

Q

R

R

A

A

A

I

I

N

A

F

V

G

G

L

A

D

H

G

G

L

I

M

I

I

V

E

E

T

V

H

H

H

P

D

E

P

P

D

E

N

K

A

A

W

L

S

S

D

D

A

G

K

K

Q

Q

Q

S

V

L

T

D

P

F

A

E

Q

L

L

F

K

K

D

E

I

L

L

V

S

Q

K

E

I

M

binding erythose-4-phosphate: K131 (= K55), P132 (= P56), R133 (= R57), T134 (= T58), R186 (= R111)
binding phosphoenolpyruvate: R126 (= R50), Q182 (≠ W107), G184 (= G109), A185 (= A110), K207 (= K136), R237 (= R166), H272 (= H203)

1vs1D Crystal structure of 3-deoxy-d-arabino-heptulosonate-7-phosphate synthase (dahp synthase) from aeropyrum pernix in complex with mn2+ and pep
32% identity, 67% coverage: 12:257/367 of query aligns to 29:265/271 of 1vs1D

query
sites
1vs1D

L

I

G

G

L

G

K

G

G

S

H

K

V

A

I

V

I

I

A

A

G

G

P

P

C
|
C

S

S

A

V

E

E

T

S

P

W

E

E

Q

Q

V

V

E

R

K

E

V

A

C

A

L

L

E

A

M

V

K

K

E

E

Q

A

N

G

I

A

I

-

P

-

S

H

M

M

F

L

R
|
R

A

G

G

G

I

A

W

F

K

K

P

P

R

R

T

T

R

S

P

P

G

Y

S

S

F

F

E

Q

G

G

I

L

G

G

E

L

D

E

G

G

L

L

K

K

W

L

M

L

E

R

I

R

V

A

R

G

H

D

H

E

L

A

N

G

I

L

P

P

I

V

T

V

T

T

E

E

V

V

G

L

N

D

T

P

A

R

H

H

V

V

E

E

L

T

A

V

L

S

K

R

H

Y

K

-

V

A

D

D

V

M

L

L

W
x
Q

I

I

G
|
G

A

A

R

R

T

N

T

M

V

Q

N

N

P

F

F

P

A

L

V

L

Q

R

E

E

I

V

A

G

E

R

A

S

L

G

K

K

G

-

T

-

D

-

I

-

P

P

V

V

M

L

V

L

K
|
K

N

R

P

G

M

F

N

G

P

N

D

T

L

V

Q

E

L

E

W

L

I

L

G

A

A

A

L

A

E

E

R

Y

L

I

H

L

A

L

V

E

G

G

I

N

N

W

K

Q

L

V

A

V

A

L

I

V

H

E

R
|
R

G

G

F

I

S

-

D

-

A

-

Y

-

D

-

K

R

R

T

F

F

R

E

N

P

K

S

P

T

N

R

W

F

S

T

M

L

-

D

-

V

-

A

P

A

I

V

H

A

L

V

K

L

R

K

E

E

W

A

K

T

G

H

M

L

E

P

V

V

I

I

N

V

D

D

P

P

S

S

H
|
H

I

P

V

A

G

G

K

R

R

R

D

S

G

L

I

V

L

P

E

A

I

L

S

A

Q

K

R

A

A

G

I

L

N

A

F

A

G

G

L

A

D

D

G

G

L

L

M

I

I

V

E
|
E

T

V

H

H

H

P

D

N

P

P

D

E

N

E

A

A

W

L

S

S

D
|
D

A

A

K

K

Q

Q

Q

Q

V

L

T

T

P

P

A

G

Q

E

L

F

K

A

D

R

I

L

L

M

S

G

K

E

I

L

binding manganese (ii) ion: C41 (= C24), H211 (= H203), E237 (= E229), D248 (= D240)
binding phosphoenolpyruvate: R65 (= R50), Q121 (≠ W107), G123 (= G109), K146 (= K136), R176 (= R166), H211 (= H203)

1jcxA Aquifex aeolicus kdo8p synthase in complex with api and cadmium (see paper)
28% identity, 65% coverage: 18:257/367 of query aligns to 4:241/255 of 1jcxA

query
sites
1jcxA

V

L

I

V

I

I

A

A

G

G

P

P

C

C

S

A

A

I

E

E

T

S

P

E

E

E

Q

L

V

L

E

L

K

K

V

V

C

G

L

E

E

E

M

I

K

K

E

R

Q

L

N

S

I

E

-

K

-

F

-

K

-

E

I

V

P

E

S

F

M

V

F

F

R
x
K

A

S

G

S

I

F

W

D

K
|
K

P

A

-
x
N

R
|
R

T
x
S

R

S

P

I

G

H

S

S

F

F

E

R

G

G

I

H

G

G

-

L

E

E

D

Y

G

G

L

V

K

K

W

A

M

L

E

R

I

K

V

V

R

K

H

E

H

E

L

F

N

G

I

L

P

K

I

I

T

T

T

T

-

D

-

I

-

H

-

E

-

S

-

W

-

Q

-

A

-

E

-

P

-

V

-

A

E

E

V

V

G

A

N

D

T

I

A

I

H
x
Q

V

I

E
x
P

L
x
A

A

F

L

L

K

C

H

R

K

Q

V

T

D

D

V

L

L

L

W

L

I

A

G

A

A

A

R

K

T

T

-

G

-

R

T

A

V

V

N

N

P

V

F
x
K

A

K

V

G

Q

Q

E

F

I

L

A

A

E

-

A

-

L

-

K

-

G

-

T

-

D

-

I

-

P

P

V

W

M

D

V

T

K

K

N

N

P

-

M

-

N

-

P

-

D

-

L

-

Q

-

L

-

W

-

I

-

G

-

A

V

L

V

E

E

R

K

L

L

H

K

A

F

V

G

G

G

I

A

N

K

K

E

L

I

A

Y

A

L

I

T

H

E

R
|
R

G

G

F

T

S

T

D

F

A

G

Y

Y

D

N

K

N

R

L

-

V

-

V

-

D

F

F

R

R

N

S

K

L

P

P

N

-

W

-

S

-

M

-

P

-

I

-

H

-

L

I

K

M

R

K

E

Q

W

W

K

A

G

-

M

-

E

K

V

V

I

I

N

Y

D

D

P

A

S

T

H
|
H

I

S

V

V

-
x
Q

-

L

-

P

G

G

K

M

R

R

D

E

G

F

I

I

L

F

E

P

I

L

S

I

Q

R

R

A

A

A

I

V

N

A

F

V

G

G

L

C

D

D

G

G

L

V

M
x
F

I

M

E
|
E

T

T

H

H

H

P

D

E

P

P

D

E

N

K

A

A

W

L

S

S

D

D

A

A

K

S

Q

T

Q

Q

V

L

T

P

P

L

A

S

Q

Q

L

L

K

E

D

G

I

I

L

I

S

E

K

A

I

I

binding {[(2,2-dihydroxy-ethyl)-(2,3,4,5-tetrahydroxy-6-phosphonooxy-hexyl)-amino]-methyl}-phosphonic acid: K40 (≠ R50), K45 (= K55), N47 (vs. gap), R48 (= R57), S49 (≠ T58), Q98 (≠ H94), P100 (≠ E96), A101 (≠ L97), K123 (≠ F117), R153 (= R166), H184 (= H203), Q187 (vs. gap), F211 (≠ M227), E213 (= E229)

1pe1A Aquifex aeolicus kdo8ps in complex with cadmium and 2-pga (see paper)
27% identity, 66% coverage: 14:257/367 of query aligns to 1:244/258 of 1pe1A

query
sites
1pe1A

L

M

K

E

G

K

H

F

V

L

I

V

I

I

A

A

G

G

P

P

C

C

S

A

A

I

E

E

T

S

P

E

E

E

Q

L

V

L

E

L

K

K

V

V

C

G

L

E

E

E

M

I

K

K

E

R

Q

L

N

S

I

E

-

K

-

F

-

K

-

E

I

V

P

E

S

F

M

V

F

F

R
x
K

A

S

G

S

I

F

W

D

K

K

P

A

-

N

R

R

T

S

R

S

P

I

G

H

S

S

F

F

E

R

G

G

I

H

G

G

-

L

E

E

D

Y

G

G

L

V

K

K

W

A

M

L

E

R

I

K

V

V

R

K

H

E

H

E

L

F

N

G

I

L

P

K

I

I

T

T

T

T

-
x
D

-

I

-

H

-

E

-

S

-

W

-

Q

-

A

-

E

-

P

-

V

-

A

E

E

V

V

G

A

N

D

T

I

A

I

H
x
Q

V

I

E
x
P

L
x
A

A

F

L

L

K

C

H

R

K

Q

V

T

D

D

V

L

L

L

W

L

I

A

G

A

A

A

R

K

T

T

-

G

-

R

T

A

V

V

N

N

P

V

F
x
K

A

K

V

G

Q

Q

E

F

I

L

A

A

E

-

A

-

L

-

K

-

G

-

T

-

D

-

I

-

P

P

V

W

M

D

V

T

K

K

N

N

P

-

M

-

N

-

P

-

D

-

L

-

Q

-

L

-

W

-

I

-

G

-

A

V

L

V

E

E

R

K

L

L

H

K

A

F

V

G

G

G

I

A

N

K

K

E

L

I

A

Y

A

L

I

T

H

E

R
|
R

G

G

F

T

S

T

D

F

A

G

Y

Y

D

N

K

N

R

L

-

V

-

V

-

D

F

F

R

R

N

S

K

L

P

P

N

-

W

-

S

-

M

-

P

-

I

-

H

-

L

I

K

M

R

K

E

Q

W

W

K

A

G

-

M

-

E

K

V

V

I

I

N

Y

D

D

P

A

S

T

H
|
H

I

S

V

V

-

Q

-

L

-

P

-

G

-

G

G

G

K

M

R

R

D

E

G

F

I

I

L

F

E

P

I

L

S

I

Q

R

R

A

A

A

I

V

N

A

F

V

G

G

L

C

D

D

G

G

L

V

M

F

I

M

E

E

T

T

H

H

H

P

D

E

P

P

D

E

N

K

A

A

W

L

S

S

D

D

A

A

K

S

Q

T

Q

Q

V

L

T

P

P

L

A

S

Q

Q

L

L

K

E

D

G

I

I

L

I

S

E

K

A

I

I

binding 2-phosphoglyceric acid: K41 (≠ R50), D81 (vs. gap), Q99 (≠ H94), P101 (≠ E96), A102 (≠ L97), K124 (≠ F117), R154 (= R166), H185 (= H203)

1pcwA Aquifex aeolicus kdo8ps in complex with cadmium and app, a bisubstrate inhibitor (see paper)
28% identity, 65% coverage: 18:257/367 of query aligns to 4:243/257 of 1pcwA

query
sites
1pcwA

V

L

I

V

I

I

A

A

G

G

P

P

C

C

S

A

A

I

E

E

T

S

P

E

E

E

Q

L

V

L

E

L

K

K

V

V

C

G

L

E

E

E

M

I

K

K

E

R

Q

L

N

S

I

E

-

K

-

F

-

K

-

E

I

V

P

E

S

F

M

V

F

F

R

K

A

S

G

S

I

F

W

D

K
|
K

P

A

-
x
N

R
|
R

T
x
S

R

S

P

I

G

H

S

S

F

F

E

R

G

G

I

H

G

G

-

L

E

E

D

Y

G

G

L

V

K

K

W

A

M

L

E

R

I

K

V

V

R

K

H

E

H

E

L

F

N

G

I

L

P

K

I

I

T

T

T

T

-

D

-

I

-

H

-

E

-

S

-

W

-

Q

-

A

-

E

-

P

-

V

-

A

E

E

V

V

G

A

N

D

T

I

A

I

H

Q

V

I

E
x
P

L
x
A

A

F

L

L

K

C

H

R

K

Q

V

T

D

D

V

L

L

L

W

L

I

A

G

A

A

A

R

K

T

T

-

G

-

R

T

A

V

V

N

N

P

V

F
x
K

A

K

V

G

Q

Q

E

F

I

L

A

A

E

-

A

-

L

-

K

-

G

-

T

-

D

-

I

-

P

P

V

W

M

D

V

T

K

K

N

N

P

-

M

-

N

-

P

-

D

-

L

-

Q

-

L

-

W

-

I

-

G

-

A

V

L

V

E

E

R

K

L

L

H

K

A

F

V

G

G

G

I

A

N

K

K

E

L

I

A

Y

A

L

I

T

H

E

R
|
R

G

G

F

T

S

T

D

F

A

G

Y

Y

D

N

K

N

R

L

-

V

-

V

-

D

F

F

R

R

N

S

K

L

P

P

N

-

W

-

S

-

M

-

P

-

I

-

H

-

L

I

K

M

R

K

E

Q

W

W

K

A

G

-

M

-

E

K

V

V

I

I

N

Y

D

D

P

A

S

T

H
|
H

I

S

V

V

-
x
Q

-

L

-

P

-

G

-

G

G

G

K

M

R

R

D

E

G

F

I

I

L

F

E

P

I

L

S

I

Q

R

R

A

A

A

I

V

N

A

F

V

G

G

L

C

D

D

G

G

L

V

M

F

I

M

E

E

T

T

H

H

H

P

D

E

P

P

D

E

N

K

A

A

W

L

S

S

D
|
D

A

A

K

S

Q

T

Q

Q

V

L

T

P

P

L

A

S

Q

Q

L

L

K

E

D

G

I

I

L

I

S

E

K

A

I

I

binding 1-deoxy-6-o-phosphono-1-[(phosphonomethyl)amino]-l-threo-hexitol: K45 (= K55), N47 (vs. gap), R48 (= R57), S49 (≠ T58), P100 (≠ E96), A101 (≠ L97), K123 (≠ F117), R153 (= R166), H184 (= H203), Q187 (vs. gap), D226 (= D240)

1pckA Aquifex aeolicus kdo8ps in complex with z-methyl-pep (see paper)
28% identity, 66% coverage: 17:257/367 of query aligns to 3:244/258 of 1pckA

query
sites
1pckA

H

F

V

L

I

V

I

I

A

A

G

G

P

P

C

C

S

A

A

I

E

E

T

S

P

E

E

E

Q

L

V

L

E

L

K

K

V

V

C

G

L

E

E

E

M

I

K

K

E

R

Q

L

N

S

I

E

-

K

-

F

-

K

-

E

I

V

P

E

S

F

M

V

F

F

R
x
K

A

S

G

S

I

F

W

D

K
|
K

P

A

-
x
N

R

R

T

S

R

S

P

I

G

H

S

S

F

F

E

R

G

G

I

H

G

G

-

L

E

E

D

Y

G

G

L

V

K

K

W

A

M

L

E

R

I

K

V

V

R

K

H

E

H

E

L

F

N

G

I

L

P

K

I

I

T

T

T

T

-

D

-

I

-

H

-

E

-

S

-

W

-

Q

-

A

-

E

-

P

-

V

-

A

E

E

V

V

G

A

N

D

T

I

A

I

H
x
Q

V

I

E
x
P

L
x
A

A

F

L

L

K

C

H

R

K

Q

V

T

D

D

V

L

L

L

W

L

I

A

G

A

A

A

R

K

T

T

-

G

-

R

T

A

V

V

N

N

P

V

F
x
K

A

K

V

G

Q

Q

E

F

I

L

A

A

E

-

A

-

L

-

K

-

G

-

T

-

D

-

I

-

P

P

V

W

M

D

V

T

K

K

N

N

P

-

M

-

N

-

P

-

D

-

L

-

Q

-

L

-

W

-

I

-

G

-

A

V

L

V

E

E

R

K

L

L

H

K

A

F

V

G

G

G

I

A

N

K

K

E

L

I

A

Y

A

L

I

T

H

E

R
|
R

G

G

F

T

S

T

D

F

A

G

Y

Y

D

N

K

N

R

L

-

V

-

V

-

D

F

F

R

R

N

-

K

-

P

-

N

-

W

-

S

S

M

L

P

P

I

I

H

M

L

-

K

-

R

K

E

Q

W

W

K

A

G

-

M

-

E

K

V

V

I

I

N

Y

D

D

P

A

S

T

H
|
H

I

S

V

V

-

Q

-

L

-

P

-

G

-

G

-

L

G

G

K

M

R

R

D

E

G

F

I

I

L

F

E

P

I

L

S

I

Q

R

R

A

A

A

I

V

N

A

F

V

G

G

L

C

D

D

G

G

L

V

M

F

I

M

E

E

T

T

H

H

H

P

D

E

P

P

D

E

N

K

A

A

W

L

S

S

D

D

A

A

K

S

Q

T

Q

Q

V

L

T

P

P

L

A

S

Q

Q

L

L

K

E

D

G

I

I

L

I

S

E

K

A

I

I

binding 2-(phosphonooxy)butanoic acid: K40 (≠ R50), K45 (= K55), N47 (vs. gap), Q98 (≠ H94), P100 (≠ E96), A101 (≠ L97), K123 (≠ F117), R153 (= R166), H184 (= H203)

3e12A Cu2+ substituted aquifex aeolicus kdo8ps in complex with kdo8p (see paper)
28% identity, 65% coverage: 18:257/367 of query aligns to 4:244/258 of 3e12A

query
sites
3e12A

V

L

I

V

I

I

A

A

G

G

P

P

C
|
C

S

A

A

I

E

E

T

S

P

E

E

E

Q

L

V

L

E

L

K

K

V

V

C

G

L

E

E

E

M

I

K

K

E

R

Q

L

N

S

I

E

-

K

-

F

-

K

-

E

I

V

P

E

S

F

M

V

F

F

R
x
K

A

S

G

S

I

F

W

D

K
|
K

P

A

-
x
N

R
|
R

T
x
S

R

S

P

I

G

H

S

S

F

F

E

R

G

G

I

H

G

G

-

L

E

E

D

Y

G

G

L

V

K

K

W

A

M

L

E

R

I

K

V

V

R

K

H

E

H

E

L

F

N

G

I

L

P

K

I

I

T

T

T

T

-

D

-

I

-

H

-

E

-

S

-

W

-

Q

-

A

-

E

-

P

-

V

-

A

E

E

V

V

G

A

N

D

T

I

A

I

H
x
Q

V

I

E
x
P

L
x
A

A

F

L

L

K

C

H

R

K

Q

V

T

D

D

V

L

L

L

W

L

I

A

G

A

A

A

R

K

T

T

-

G

-

R

T

A

V

V

N

N

P

V

F
x
K

A

K

V

G

Q

Q

E

F

I

L

A

A

E

-

A

-

L

-

K

-

G

-

T

-

D

-

I

-

P

P

V

W

M

D

V

T

K

K

N

N

P

-

M

-

N

-

P

-

D

-

L

-

Q

-

L

-

W

-

I

-

G

-

A

V

L

V

E

E

R

K

L

L

H

K

A

F

V

G

G

G

I

A

N

K

K

E

L

I

A

Y

A

L

I

T

H

E

R
|
R

G

G

F

T

S

T

D

F

A

G

Y

Y

D

N

K

N

R

L

-

V

-

V

-

D

F

F

R

R

N

S

K

L

P

P

N

-

W

-

S

-

M

-

P

-

I

-

H

-

L

I

K

M

R

K

E

Q

W

W

K

A

G

-

M

-

E

K

V

V

I

I

N

Y

D

D

P

A

S

T

H
|
H

I

S

V

V

-

Q

-

L

-

P

-

G

-

G

-

G

G

G

K

M

R

R

D

E

G

F

I

I

L

F

E

P

I

L

S

I

Q

R

R

A

A

A

I

V

N

A

F

V

G

G

L

C

D

D

G

G

L

V

M

F

I

M

E
|
E

T

T

H

H

H

P

D

E

P

P

D

E

N

K

A

A

W

L

S

S

D
|
D

A

A

K

S

Q

T

Q

Q

V

L

T

P

P

L

A

S

Q

Q

L

L

K

E

D

G

I

I

L

I

S

E

K

A

I

I

binding copper (ii) ion: C10 (= C24), H184 (= H203), E216 (= E229), D227 (= D240)
binding 3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid: K40 (≠ R50), K45 (= K55), N47 (vs. gap), R48 (= R57), S49 (≠ T58), Q98 (≠ H94), K123 (≠ F117), H184 (= H203), D227 (= D240)
binding phosphate ion: P100 (≠ E96), A101 (≠ L97), K123 (≠ F117), R153 (= R166)

3e0iA Cu2+ substituted aquifex aeolicus kdo8ps in complex with pep (see paper)
28% identity, 65% coverage: 18:257/367 of query aligns to 4:249/263 of 3e0iA

query
sites
3e0iA

V

L

I

V

I

I

A

A

G

G

P

P

C
|
C

S

A

A

I

E

E

T

S

P

E

E

E

Q

L

V

L

E

L

K

K

V

V

C

G

L

E

E

E

M

I

K

K

E

R

Q

L

N

S

I

E

-

K

-

F

-

K

-

E

I

V

P

E

S

F

M

V

F

F

R
x
K

A

S

G

S

I

F

W

D

K
|
K

P

A

-

N

R
|
R

T
x
S

R

S

P

I

G

H

S

S

F

F

E

R

G

G

I

H

G

G

-

L

E

E

D

Y

G

G

L

V

K

K

W

A

M

L

E

R

I

K

V

V

R

K

H

E

H

E

L

F

N

G

I

L

P

K

I

I

T

T

T

T

-

D

-

I

-

H

-

E

-

S

-

W

-

Q

-

A

-

E

-

P

-

V

-

A

E

E

V

V

G

A

N

D

T

I

A

I

H
x
Q

V

I

E
x
P

L
x
A

A

F

L

L

K

C

H

R

K

Q

V

T

D

D

V

L

L

L

W

L

I

A

G

A

A

A

R

K

T

T

-

G

-

R

T

A

V

V

N

N

P

V

F
x
K

A

K

V

G

Q

Q

E

F

I

L

A

A

E

-

A

-

L

-

K

-

G

-

T

-

D

-

I

-

P

P

V

W

M

D

V

T

K

K

N

N

P

-

M

-

N

-

P

-

D

-

L

-

Q

-

L

-

W

-

I

-

G

-

A

V

L

V

E

E

R

K

L

L

H

K

A

F

V

G

G

G

I

A

N

K

K

E

L

I

A

Y

A

L

I

T

H

E

R
|
R

G

G

F

T

S

T

D

F

A

G

Y

Y

D

N

K

N

R

L

-

V

-

V

-

D

F

F

R

R

N

-

K

-

P

-

N

-

W

-

S

S

M

L

P

P

I

I

H

M

L

-

K

-

R

K

E

Q

W

W

K

-

G

-

M

A

E

K

V

V

I

I

N

Y

D

D

P

A

S

T

H
|
H

I

S

V

V

-

Q

-

L

-

P

-

G

-

G

-

L

-

G

-

D

-
x
K

-
x
S

-

G

G

G

K

M

R

R

D

E

G

F

I

I

L

F

E

P

I

L

S

I

Q

R

R

A

A

A

I

V

N

A

F

V

G

G

L

C

D

D

G

G

L

V

M

F

I

M

E
|
E

T

T

H

H

H

P

D

E

P

P

D

E

N

K

A

A

W

L

S

S

D

D

A

A

K

S

Q

T

Q

Q

V

L

T

P

P

L

A

S

Q

Q

L

L

K

E

D

G

I

I

L

I

S

E

K

A

I

I

binding copper (ii) ion: C10 (= C24), H184 (= H203), E221 (= E229)
binding phosphoenolpyruvate: K40 (≠ R50), K45 (= K55), Q98 (≠ H94), P100 (≠ E96), A101 (≠ L97), K123 (≠ F117), R153 (= R166), H184 (= H203)
binding phosphate ion: R48 (= R57), S49 (≠ T58), K195 (vs. gap), S196 (vs. gap)

2a21A Aquifex aeolicus kdo8ps in complex with pep, po4, and zn2+ (see paper)
28% identity, 65% coverage: 18:257/367 of query aligns to 4:249/263 of 2a21A

query
sites
2a21A

V

L

I

V

I

I

A

A

G

G

P

P

C
|
C

S

A

A

I

E

E

T

S

P

E

E

E

Q

L

V

L

E

L

K

K

V

V

C

G

L

E

E

E

M

I

K

K

E

R

Q

L

N

S

I

E

-

K

-

F

-

K

-

E

I

V

P

E

S

F

M

V

F

F

R
x
K

A

S

G

S

I

F

W

D

K
|
K

P

A

-

N

R
|
R

T
x
S

R

S

P

I

G

H

S

S

F

F

E

R

G

G

I

H

G

G

-

L

E

E

D

Y

G

G

L

V

K

K

W

A

M

L

E

R

I

K

V

V

R

K

H

E

H

E

L

F

N

G

I

L

P

K

I

I

T

T

T

T

-

D

-

I

-

H

-

E

-

S

-

W

-

Q

-

A

-

E

-

P

-

V

-

A

E

E

V

V

G

A

N

D

T

I

A

I

H
x
Q

V

I

E
x
P

L
x
A

A

F

L

L

K

C

H

R

K

Q

V

T

D

D

V

L

L

L

W

L

I

A

G

A

A

A

R

K

T

T

-

G

-

R

T

A

V

V

N

N

P

V

F
x
K

A

K

V

G

Q

Q

E

F

I

L

A

A

E

-

A

-

L

-

K

-

G

-

T

-

D

-

I

-

P

P

V

W

M

D

V

T

K

K

N

N

P

-

M

-

N

-

P

-

D

-

L

-

Q

-

L

-

W

-

I

-

G

-

A

V

L

V

E

E

R

K

L

L

H

K

A

F

V

G

G

G

I

A

N

K

K

E

L

I

A

Y

A

L

I

T

H

E

R
|
R

G

G

F

T

S

T

D

F

A

G

Y

Y

D

N

K

N

R

L

-

V

-

V

-

D

F

F

R

R

N

-

K

-

P

-

N

-

W

-

S

S

M

L

P

P

I

I

H

M

L

-

K

-

R

K

E

Q

W

W

K

-

G

-

M

A

E

K

V

V

I

I

N

Y

D

D

P

A

S

T

H
|
H

I

S

V

V

-

Q

-

L

-

P

-

G

-

G

-

L

-

G

-

D

-

K

-
x
S

-

G

G

G

K

M

R

R

D

E

G

F

I

I

L

F

E

P

I

L

S

I

Q

R

R

A

A

A

I

V

N

A

F

V

G

G

L

C

D

D

G

G

L

V

M

F

I

M

E
|
E

T

T

H

H

H

P

D

E

P

P

D

E

N

K

A

A

W

L

S

S

D
|
D

A

A

K

S

Q

T

Q

Q

V

L

T

P

P

L

A

S

Q

Q

L

L

K

E

D

G

I

I

L

I

S

E

K

A

I

I

binding phosphoenolpyruvate: K40 (≠ R50), K45 (= K55), Q98 (≠ H94), P100 (≠ E96), A101 (≠ L97), K123 (≠ F117), R153 (= R166), H184 (= H203)
binding phosphate ion: R48 (= R57), S49 (≠ T58), S196 (vs. gap)
binding zinc ion: C10 (= C24), H184 (= H203), E221 (= E229), D232 (= D240)

1jcyA Aquifex aeolicus kdo8p synthase in complex with r5p, pep and cadmium (see paper)
28% identity, 65% coverage: 18:257/367 of query aligns to 4:249/263 of 1jcyA

query
sites
1jcyA

V

L

I

V

I

I

A

A

G

G

P

P

C

C

S

A

A

I

E

E

T

S

P

E

E

E

Q

L

V

L

E

L

K

K

V

V

C

G

L

E

E

E

M

I

K

K

E

R

Q

L

N