SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_079648901.1 NCBI__GCF_900167915.1:WP_079648901.1 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)

3uboA The crystal structure of adenosine kinase from sinorhizobium meliloti
43% identity, 93% coverage: 5:315/333 of query aligns to 2:314/338 of 3uboA

query
sites
3uboA

R

K

Y

Y

D

D

V

V

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A

T

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I

G

G

N
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N

A

A

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x
I

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I

C

A

H

R

K

C

D

D

D

D

G

S

F

F

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L

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E

A

E

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N

G

G

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I

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I

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G

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M
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I

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P

A

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D

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A

A

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L

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M

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G

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R

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F

A

A

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Y

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E

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Y

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x
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A
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active site: R124 (= R125), G274 (= G275), A275 (= A276), G276 (= G277), D277 (= D278)
binding adenosine: N10 (= N13), I12 (≠ L15), D14 (= D17), M34 (= M37), G57 (= G60), G58 (= G61), S59 (= S62), N62 (= N65), M126 (= M127), T128 (= T129), E155 (= E156), Y157 (= Y158), G274 (= G275), D277 (= D278), P313 (= P314)
binding adenosine-5'-diphosphate: N214 (= N215), T244 (= T245), S246 (≠ G247), E247 (≠ R248), G249 (= G250), L266 (≠ F267), A275 (= A276), G276 (= G277), N301 (≠ A302), A304 (= A305), I308 (= I309)

4k8pA Crystal structure of probable sugar kinase protein from rhizobium etli cfn 42 complexed with 2-ethylbenzyl alcohol
39% identity, 93% coverage: 5:315/333 of query aligns to 5:317/332 of 4k8pA

query
sites
4k8pA

R

R

Y

F

D

D

V

V

V

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A

T

I

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G

N
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N

A

A

L
x
I

V

V

D
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D

V

I

L

I

C

S

H

R

K

C

D

N

D

D

G

Q

F

F

V

L

A

I

A

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N

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Q

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I

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T

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M
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M

Q

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I

I

A

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P

A

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E

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A
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A

V

E

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H
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Y

E

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M

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G
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S
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A

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G

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A
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L

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R

active site: R127 (= R125), G277 (= G275), A278 (= A276), G279 (= G277), D280 (= D278)
binding (2-ethylphenyl)methanol: A45 (= A45), Y49 (≠ H49), R116 (= R114)
binding adenosine: N13 (= N13), I15 (≠ L15), D17 (= D17), M37 (= M37), G60 (= G60), G61 (= G61), S62 (= S62), N65 (= N65), M129 (= M127), T131 (= T129), E158 (= E156), Y160 (= Y158), T276 (= T274), D280 (= D278), P316 (= P314)

4lbxA Crystal structure of probable sugar kinase protein from rhizobium etli cfn 42 complexed with cytidine
39% identity, 93% coverage: 5:315/333 of query aligns to 4:316/331 of 4lbxA

query
sites
4lbxA

R

R

Y

F

D

D

V

V

V

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A

T

I

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G

G

N
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N

A

A

L
x
I

V

V

D
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V

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L

I

C

S

H

R

K

C

D

N

D

D

G

Q

F

F

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L

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I

A

D

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N

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G

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I

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P

A

D

E

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R

A

A

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E

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L

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M

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G

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A

A

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M

A

A

A

A

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A

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L

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G

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F

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x
S

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A

A

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A

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G

A

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Y

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N

A

A

E

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R

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D

D

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T

T
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T

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G

A
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A

G
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G

D
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D

L

L

F

F

A

A

A

S

G

G

V

F

L

L

A

Y

G

G

L

Y

A

T

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Q

G

G

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R

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S

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E

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D

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M

L

G

G

A
x
C

I

L

A

A

A
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A

G

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R

I

I

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I
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I

A

Q

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Q

T

I

G

G

P
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P

R

R

active site: R126 (= R125), G276 (= G275), A277 (= A276), G278 (= G277), D279 (= D278)
binding adenosine: N12 (= N13), I14 (≠ L15), D16 (= D17), M36 (= M37), G59 (= G60), G60 (= G61), S61 (= S62), N64 (= N65), M128 (= M127), T130 (= T129), E157 (= E156), Y159 (= Y158), T275 (= T274), D279 (= D278), P315 (= P314)
binding 4-amino-1-beta-d-ribofuranosyl-2(1h)-pyrimidinone: T246 (= T245), S248 (≠ G247), G251 (= G250), C303 (≠ A302), A306 (= A305), I310 (= I309)

4k8kA Crystal structure of probable sugar kinase protein from rhizobium etli cfn 42 complexed with 1-(4-methoxyphenyl)-1-cyclopropane and 2- aminoperimidine
39% identity, 93% coverage: 5:315/333 of query aligns to 4:316/331 of 4k8kA

query
sites
4k8kA

R

R

Y

F

D

D

V

V

V

L

A

T

I

V

G

G

N
|
N

A

A

L
x
I

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D
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V

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I

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C

D

N

D

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x
A

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E

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R

A
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x
E

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L

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x
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E

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M

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G

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A

E

L

E

E

V

A

C

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G
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G

G
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G

S
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S

A

A

A

G

N
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M

A

A

A

A

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L

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M

D

R

A

S

G

G

L

K

I

V

D

D

I

I

L

V

F

F

A

A

N

N

E

R

G

Q

E

E

L

A

A

L

E

S

L

L

S

Y

G

Q

R

T

A

D

D

D

F

F

E

E

A

E

G

A

V

L

A

N

W

R

A

I

A

A

A

A

R

D

V

C

P

K

L

I

L

A

I

A

A

V

T

T

R

M

G

S

R

E

D

N

G

G

A

A

I

V

A

I

V

L

E

K

G

G

A

R

R

E

R

R

Y

Y

E

Y

A

V

P

N

A

A

E

I

P

R

F

I

G

R

A

E

V

V

V

V

D

D

T

T

T
|
T

G
|
G

A
|
A

G
|
G

D
|
D

L

L

F

F

A

A

A

S

G

G

V

F

L

L

A

Y

G

G

L

Y

A

T

Q

Q

G

G

R

R

D

S

L

L

P

E

V

D

A

C

L

G

R

K

M

L

G

G

A

C

I

L

A

A

A

A

G

G

R

I

I

V

I

I

A

Q

L

Q

T

I

G

G

P
|
P

R

R

active site: R126 (= R125), G276 (= G275), A277 (= A276), G278 (= G277), D279 (= D278)
binding 1-(4-methoxyphenyl)cyclopropanecarboxylic acid: A41 (≠ P42), A44 (= A45), E45 (≠ V46), Y48 (≠ H49), P112 (= P111), R115 (= R114), M117 (≠ L116), Y131 (≠ A130)
binding 1H-perimidin-2-amine: A84 (≠ D85), D85 (= D86), D89 (≠ R90)
binding adenosine: N12 (= N13), I14 (≠ L15), D16 (= D17), M36 (= M37), G59 (= G60), G60 (= G61), S61 (= S62), N64 (= N65), M128 (= M127), T130 (= T129), E157 (= E156), Y159 (= Y158), T275 (= T274), D279 (= D278), P315 (= P314)

4lc4A Crystal structure of probable sugar kinase protein from rhizobium etli cfn 42 complexed with guanosine
39% identity, 93% coverage: 5:315/333 of query aligns to 3:315/330 of 4lc4A

query
sites
4lc4A

R

R

Y

F

D

D

V

V

V

L

A

T

I

V

G

G

N
|
N

A

A

L
x
I

V

V

D
|
D

V

I

L

I

C

S

H

R

K

C

D

N

D

D

G

Q

F

F

V

L

A

I

A

D

Q

N

G

Q

L

I

R

T

R

K

G

A

L

A

M
|
M

Q

N

P

L

I

I

A

D

P

A

D

E

R

R

A

A

V

E

L

L

L

L

H

Y

E

S

A

R

M

M

G

G

Q

P

C

A

E

L

E

E

V

A

C

S

G
|
G

G
|
G

S
|
S

A

A

A

G

N
|
N

T

T

M

A

A

A

A

G

L

V

A

A

R

N

L

L

G

G

L

G

R

K

L

A

A

A

F

Y

I

F

G

G

Q

N

V

V

G

A

D

A

D

D

R

Q

L

L

G

G

R

D

L

I

F

F

A

T

A

H

D

D

M

I

A

R

A

A

S

Q

G

G

I

V

A

H

F

Y

P

Q

L

T

P

K

P

P

I

K

D

G

R

A

-

F

-

P

P

P

T

T

G

A

R

R

C

S

L

M

I

I

I

F

V

V

S

T

P

E

D

D

G

G

H

E

R
|
R

T

S

M
|
M

N

N

T
|
T

A

Y

I

L

G

G

A

A

S

C

E

V

Y

E

L

L

P

G

A

P

A

E

A

D

F

V

D

E

G

A

A

D

I

V

A

V

A

A

D

D

T

A

A

K

I

V

L

T

Y

Y

V

F

E
|
E

G

G

Y
|
Y

M

L

W

W

R

-

T

-

D

D

E

P

P

P

R

R

A

A

-

K

-

E

A

A

A

I

R

L

A

D

A

C

I

A

E

R

V

I

A

A

R

H

A

Q

H

H

G

G

R

R

R

E

T

M

A

S

F

M

T

T

L

L

S

S

S

D

E

S

Y

F

C

C

V

V

Q

D

Q

R

H

Y

H

R

D

G

D

E

F

F

V

L

A

D

L

L

L

M

D

R

A

S

G

G

L

K

I

V

D

D

I

I

L

V

F

F

A

A

N

N

E

R

G

Q

E

E

L

A

A

L

E

S

L

L

S

Y

G

Q

R

T

A

D

D

D

F

F

E

E

A

E

G

A

V

L

A

N

W

R

A

I

A

A

A

A

R

D

V

C

P

K

L

I

L

A

I

A

A

V

T
|
T

R

M

G
x
S

R
x
E

D

N

G

G

A

A

I

V

A

I

V

L

E

K

G

G

A

R

R

E

R

R

Y

Y

E

Y

A

V

P

N

A

A

E

I

P

R

F

I

G

R

A

E

V

V

V

V

D

D

T

T

T
|
T

G
|
G

A
|
A

G
|
G

D
|
D

L

L

F

F

A

A

A

S

G

G

V

F

L

L

A

Y

G

G

L

Y

A

T

Q

Q

G

G

R

R

D

S

L

L

P

E

V

D

A

C

L

G

R

K

M

L

G

G

A

C

I

L

A

A

A
|
A

G

G

R

I

I

V

I
|
I

A

Q

L

Q

T

I

G

G

P
|
P

R

R

active site: R125 (= R125), G275 (= G275), A276 (= A276), G277 (= G277), D278 (= D278)
binding adenosine: N11 (= N13), I13 (≠ L15), D15 (= D17), M35 (= M37), G58 (= G60), G59 (= G61), S60 (= S62), N63 (= N65), M127 (= M127), T129 (= T129), E156 (= E156), Y158 (= Y158), T274 (= T274), D278 (= D278), P314 (= P314)
binding guanosine: T245 (= T245), S247 (≠ G247), E248 (≠ R248), A305 (= A305), I309 (= I309)

4kbeA Crystal structure of probable sugar kinase protein from rhizobium etli cfn 42 complexed with benzoguanamine
39% identity, 93% coverage: 5:315/333 of query aligns to 3:315/330 of 4kbeA

query
sites
4kbeA

R

R

Y

F

D

D

V

V

V

L

A

T

I

V

G

G

N
|
N

A

A

L
x
I

V

V

D
|
D

V

I

L
x
I

C
x
S

H
x
R

K

C

D

N

D

D

G

Q

F

F

V

L

A

I

A

D

Q

N

G

Q

L

I

R

T

R

K

G

A

L

A

M
|
M

Q

N

P

L

I

I

A

D

P

A

D

E

R

R

A

A

V

E

L

L

L

L

H

Y

E

S

A

R

M

M

G

G

Q
x
P

C
x
A

E
x
L

E

E

V

A

C

S

G
|
G

G
|
G

S
|
S

A

A

A

G

N
|
N

T

T

M

A

A

A

A

G

L

V

A

A

R

N

L

L

G

G

L

G

R

K

L

A

A

A

F

Y

I

F

G

G

Q

N

V

V

G

A

D

A

D

D

R

Q

L

L

G

G

R

D

L

I

F

F

A

T

A

H

D

D

M

I

A

R

A

A

S

Q

G

G

I

V

A

H

F

Y

P

Q

L

T

P

K

P

P

I

K

D

G

R

A

-

F

-

P

P

P

T

T

G

A

R

R

C

S

L

M

I

I

I

F

V

V

S

T

P

E

D

D

G

G

H

E

R
|
R

T

S

M
|
M

N

N

T
|
T

A

Y

I

L

G

G

A

A

S

C

E

V

Y

E

L

L

P

G

A

P

A

E

A

D

F

V

D

E

G

A

A

D

I

V

A

V

A

A

D

D

T

A

A

K

I

V

L

T

Y

Y

V

F

E
|
E

G

G

Y
|
Y

M

L

W

W

R

-

T

-

D

D

E

P

P

P

R

R

A

A

-

K

-

E

A

A

A

I

R

L

A

D

A

C

I

A

E

R

V

I

A

A

R

H

A

Q

H

H

G

G

R

R

R

E

T

M

A

S

F

M

T

T

L

L

S

S

S

D

E

S

Y

F

C

C

V

V

Q

D

Q

R

H

Y

H

R

D

G

D

E

F

F

V

L

A

D

L

L

L

M

D

R

A

S

G

G

L

K

I

V

D

D

I

I

L

V

F

F

A

A

N

N

E

R

G

Q

E

E

L

A

A

L

E

S

L

L

S

Y

G

Q

R

T

A

D

D

D

F

F

E

E

A

E

G

A

V

L

A

N

W

R

A

I

A

A

A

A

R

D

V

C

P

K

L

I

L

A

I

A

A

V

T

T

R

M

G

S

R

E

D

N

G

G

A

A

I

V

A

I

V

L

E

K

G

G

A

R

R

E

R

R

Y

Y

E

Y

A

V

P

N

A

A

E

I

P

R

F

I

G

R

A

E

V

V

V

V

D

D

T

T

T

T

G
|
G

A
|
A

G
|
G

D
|
D

L

L

F

F

A

A

A

S

G

G

V

F

L

L

A

Y

G

G

L

Y

A

T

Q

Q

G

G

R

R

D

S

L

L

P

E

V

D

A

C

L

G

R

K

M

L

G

G

A

C

I

L

A

A

A

A

G

G

R

I

I

V

I

I

A

Q

L

Q

T

I

G

G

P
|
P

R

R

active site: R125 (= R125), G275 (= G275), A276 (= A276), G277 (= G277), D278 (= D278)
binding adenosine: N11 (= N13), I13 (≠ L15), D15 (= D17), M35 (= M37), G58 (= G60), G59 (= G61), S60 (= S62), N63 (= N65), M127 (= M127), T129 (= T129), E156 (= E156), Y158 (= Y158), D278 (= D278), P314 (= P314)
binding 6-phenyl-1,3,5-triazine-2,4-diamine: I17 (≠ L19), S18 (≠ C20), R19 (≠ H21), P52 (≠ Q54), A53 (≠ C55), L54 (≠ E56)

4kanA Crystal structure of probable sugar kinase protein from rhizobium etli cfn 42 complexed with 2-(2,5-dimethyl-1,3-thiazol-4-yl)acetic acid
39% identity, 93% coverage: 5:315/333 of query aligns to 3:315/330 of 4kanA

query
sites
4kanA

R

R

Y

F

D

D

V

V

V

L

A

T

I

V

G

G

N
|
N

A

A

L
x
I

V

V

D
|
D

V
x
I

L

I

C

S

H

R

K

C

D

N

D

D

G

Q

F

F

V

L

A

I

A

D

Q

N

G

Q

L

I

R

T

R

K

G

A

L

A

M
|
M

Q

N

P

L

I

I

A

D

P

A

D

E

R

R

A
|
A

V
x
E

L

L

L

L

H
x
Y

E

S

A

R

M

M

G

G

Q

P

C

A

E

L

E

E

V

A

C

S

G
|
G

G
|
G

S
|
S

A

A

A

G

N
|
N

T

T

M

A

A

A

A

G

L

V

A

A

R

N

L

L

G

G

L

G

R

K

L

A

A

A

F

Y

I

F

G

G

Q

N

V

V

G

A

D

A

D

D

R

Q

L

L

G

G

R

D

L

I

F

F

A

T

A

H

D

D

M

I

A

R

A

A

S

Q

G

G

I

V

A

H

F

Y

P

Q

L

T

P

K

P

P

I

K

D

G

R

A

-

F

-

P

P

P

T

T

G

A

R
|
R

C

S

L
x
M

I

I

I

F

V

V

S

T

P

E

D

D

G

G

H

E

R
|
R

T

S

M
|
M

N

N

T
|
T

A

Y

I

L

G

G

A

A

S

C

E

V

Y

E

L

L

P

G

A

P

A

E

A

D

F

V

D

E

G

A

A

D

I

V

A

V

A

A

D

D

T

A

A

K

I

V

L

T

Y

Y

V

F

E
|
E

G

G

Y
|
Y

M

L

W

W

R

-

T

-

D

D

E

P

P

P

R

R

A

A

-

K

-

E

A

A

A

I

R

L

A

D

A

C

I

A

E

R

V

I

A

A

R

H

A

Q

H

H

G

G

R

R

R

E

T

M

A

S

F

M

T

T

L

L

S

S

S

D

E

S

Y

F

C

C

V

V

Q

D

Q

R

H

Y

H

R

D

G

D

E

F

F

V

L

A

D

L

L

L

M

D

R

A

S

G

G

L

K

I

V

D

D

I

I

L

V

F

F

A

A

N
|
N

E

R

G

Q

E

E

L

A

A

L

E

S

L

L

S

Y

G

Q

R

T

A

D

D

D

F

F

E

E

A

E

G

A

V

L

A

N

W

R

A

I

A

A

A

A

R

D

V

C

P

K

L

I

L

A

I

A

A

V

T
|
T

R

M

G
x
S

R

E

D

N

G

G

A

A

I

V

A

I

V

L

E

K

G

G

A

R

R

E

R

R

Y

Y

E

Y

A

V

P

N

A

A

E

I

P

R

F

I

G

R

A

E

V

V

V

V

D

D

T

T

T
|
T

G
|
G

A
|
A

G
|
G

D
|
D

L

L

F

F

A

A

A

S

G

G

V

F

L

L

A

Y

G

G

L

Y

A

T

Q

Q

G

G

R

R

D

S

L

L

P

E

V

D

A

C

L

G

R

K

M

L

G

G

A

C

I

L

A

A

A

A

G

G

R

I

I

V

I

I

A

Q

L

Q

T

I

G

G

P
|
P

R

R

active site: R125 (= R125), G275 (= G275), A276 (= A276), G277 (= G277), D278 (= D278)
binding adenosine: N11 (= N13), I13 (≠ L15), D15 (= D17), M35 (= M37), G58 (= G60), G59 (= G61), S60 (= S62), N63 (= N65), M127 (= M127), T129 (= T129), E156 (= E156), Y158 (= Y158), T274 (= T274), D278 (= D278), P314 (= P314)
binding (2,5-dimethyl-1,3-thiazol-4-yl)acetic acid: I16 (≠ V18), A43 (= A45), E44 (≠ V46), Y47 (≠ H49), R114 (= R114), M116 (≠ L116), N215 (= N215), T245 (= T245), S247 (≠ G247), A276 (= A276)

4kalA Crystal structure of probable sugar kinase protein from rhizobium etli cfn 42 complexed with quinoline-3-carboxylic acid
39% identity, 93% coverage: 5:315/333 of query aligns to 3:315/330 of 4kalA

query
sites
4kalA

R

R

Y

F

D

D

V

V

V

L

A

T

I

V

G

G

N
|
N

A

A

L
x
I

V

V

D
|
D

V

I

L

I

C

S

H

R

K

C

D

N

D

D

G

Q

F

F

V

L

A

I

A

D

Q

N

G

Q

L

I

R

T

R

K

G

A

L

A

M
|
M

Q

N

P

L

I

I

A

D

P

A

D

E

R

R

A

A

V

E

L

L

L

L

H

Y

E

S

A

R

M

M

G

G

Q

P

C

A

E

L

E

E

V

A

C

S

G
|
G

G
|
G

S

S

A

A

A

G

N
|
N

T

T

M

A

A

A

A

G

L

V

A

A

R

N

L

L

G

G

L

G

R

K

L

A

A

A

F

Y

I

F

G

G

Q

N

V

V

G

A

D

A

D

D

R

Q

L

L

G

G

R

D

L

I

F

F

A

T

A

H

D

D

M

I

A

R

A

A

S

Q

G

G

I

V

A

H

F

Y

P

Q

L

T

P

K

P

P

I

K

D

G

R

A

-

F

-

P

P

P

T

T

G

A

R

R

C

S

L

M

I

I

I

F

V

V

S

T

P

E

D

D

G

G

H

E

R
|
R

T

S

M
|
M

N

N

T
|
T

A

Y

I

L

G

G

A

A

S

C

E

V

Y

E

L

L

P

G

A

P

A

E

A

D

F

V

D

E

G

A

A

D

I

V

A

V

A

A

D

D

T

A

A

K

I

V

L

T

Y

Y

V

F

E
|
E

G

G

Y
|
Y

M

L

W

W

R

-

T

-

D

D

E

P

P

P

R

R

A

A

-

K

-

E

A

A

A

I

R

L

A

D

A

C

I

A

E

R

V

I

A

A

R

H

A

Q

H

H

G

G

R

R

R

E

T

M

A

S

F

M

T

T

L

L

S

S

S

D

E
x
S

Y
x
F

C

C

V

V

Q
x
D

Q

R

H

Y

H

R

D

G

D

E

F

F

V

L

A

D

L

L

L

M

D

R

A

S

G

G

L

K

I

V

D

D

I

I

L

V

F

F

A

A

N

N

E

R

G

Q

E

E

L

A

A

L

E
x
S

L

L

S

Y

G
x
Q

R

T

A

D

D

D

F

F

E

E

A

E

G

A

V

L

A

N

W

R

A

I

A

A

A

A

R

D

V

C

P

K

L

I

L

A

I

A

A

V

T

T

R

M

G

S

R

E

D

N

G

G

A

A

I

V

A

I

V

L

E

K

G

G

A

R

R

E

R

R

Y

Y

E

Y

A

V

P

N

A

A

E

I

P

R

F

I

G

R

A

E

V

V

V

V

D

D

T

T

T
|
T

G
|
G

A
|
A

G
|
G

D
|
D

L

L

F

F

A

A

A

S

G

G

V

F

L

L

A

Y

G

G

L

Y

A

T

Q

Q

G

G

R

R

D

S

L

L

P

E

V

D

A

C

L

G

R

K

M

L

G

G

A

C

I

L

A

A

A

A

G

G

R

I

I

V

I

I

A

Q

L

Q

T

I

G

G

P

P

R

R

active site: R125 (= R125), G275 (= G275), A276 (= A276), G277 (= G277), D278 (= D278)
binding adenosine: N11 (= N13), I13 (≠ L15), D15 (= D17), M35 (= M37), G58 (= G60), G59 (= G61), N63 (= N65), M127 (= M127), T129 (= T129), E156 (= E156), Y158 (= Y158), T274 (= T274), D278 (= D278)
binding quinoline-3-carboxylic acid: S190 (≠ E190), F191 (≠ Y191), D194 (≠ Q194), S221 (≠ E221), Q224 (≠ G224)

4kahA Crystal structure of probable sugar kinase protein from rhizobium etli cfn 42 complexed with 4-bromo-1h-pyrazole
39% identity, 93% coverage: 5:315/333 of query aligns to 3:315/330 of 4kahA

query
sites
4kahA

R

R

Y

F

D

D

V

V

V

L

A

T

I

V

G

G

N
|
N

A

A

L
x
I

V

V

D
|
D

V
x
I

L

I

C

S

H

R

K

C

D

N

D

D

G

Q

F

F

V

L

A

I

A

D

Q

N

G

Q

L

I

R

T

R

K

G

A

L

A

M
|
M

Q

N

P

L

I

I

A

D

P

A

D

E

R

R

A

A

V

E

L

L

L

L

H
x
Y

E

S

A

R

M

M

G

G

Q

P

C

A

E

L

E

E

V

A

C

S

G
|
G

G
|
G

S
|
S

A

A

A

G

N
|
N

T

T

M

A

A

A

A

G

L

V

A

A

R

N

L

L

G

G

L

G

R

K

L

A

A

A

F

Y

I

F

G

G

Q

N

V

V

G

A

D

A

D

D

R

Q

L
|
L

G

G

R

D

L

I

F

F

A

T

A

H

D

D

M

I

A

R

A

A

S

Q

G

G

I

V

A

H

F

Y

P

Q

L

T

P

K

P

P

I

K

D

G

R

A

-

F

-

P

P

P

T

T

G

A

R

R

C

S

L

M

I

I

I

F

V

V

S

T

P

E

D

D

G

G

H

E

R
|
R

T

S

M
|
M

N

N

T
|
T

A

Y

I

L

G

G

A

A

S

C

E

V

Y

E

L

L

P

G

A

P

A

E

A

D

F

V

D

E

G

A

A

D

I

V

A

V

A

A

D

D

T

A

A

K

I

V

L

T

Y

Y

V

F

E
|
E

G

G

Y
|
Y

M

L

W

W

R

-

T

-

D

D

E

P

P

P

R

R

A

A

-

K

-

E

A

A

A

I

R

L

A

D

A

C

I

A

E

R

V

I

A

A

R

H

A

Q

H

H

G

G

R

R

R

E

T

M

A

S

F

M

T

T

L

L

S

S

S

D

E

S

Y

F

C

C

V

V

Q

D

Q

R

H

Y

H

R

D

G

D

E

F

F

V

L

A

D

L

L

L

M

D

R

A

S

G

G

L

K

I

V

D

D

I

I

L

V

F

F

A

A

N

N

E

R

G

Q

E

E

L

A

A

L

E

S

L

L

S

Y

G

Q

R

T

A

D

D

D

F

F

E

E

A

E

G

A

V

L

A

N

W

R

A

I

A

A

A

A

R

D

V

C

P

K

L

I

L

A

I

A

A

V

T

T

R

M

G

S

R

E

D

N

G

G

A

A

I

V

A

I

V

L

E

K

G

G

A

R

R

E

R

R

Y

Y

E

Y

A

V

P

N

A

A

E

I

P

R

F

I

G

R

A

E

V

V

V

V

D

D

T

T

T
|
T

G
|
G

A
|
A

G
|
G

D
|
D

L

L

F

F

A

A

A

S

G

G

V

F

L

L

A

Y

G

G

L

Y

A

T

Q

Q

G

G

R

R

D

S

L

L

P

E

V

D

A

C

L

G

R

K

M

L

G

G

A

C

I

L

A

A

A

A

G

G

R

I

I

V

I

I

A

Q

L

Q

T

I

G

G

P
|
P

R

R

active site: R125 (= R125), G275 (= G275), A276 (= A276), G277 (= G277), D278 (= D278)
binding adenosine: N11 (= N13), I13 (≠ L15), D15 (= D17), M35 (= M37), G58 (= G60), G59 (= G61), S60 (= S62), N63 (= N65), M127 (= M127), T129 (= T129), E156 (= E156), Y158 (= Y158), T274 (= T274), D278 (= D278), P314 (= P314)
binding 4-bromo-1H-pyrazole: I16 (≠ V18), Y47 (≠ H49), L86 (= L88)

4kadA Crystal structure of probable sugar kinase protein from rhizobium etli cfn 42 complexed with n1-(2.3-dihydro-1h-inden-5-yl)acetam
39% identity, 93% coverage: 5:315/333 of query aligns to 3:315/330 of 4kadA

query
sites
4kadA

R

R

Y

F

D

D

V

V

V

L

A

T

I

V

G

G

N
|
N

A

A

L
x
I

V

V

D
|
D

V

I

L

I

C

S

H

R

K

C

D

N

D

D

G

Q

F

F

V

L

A

I

A

D

Q

N

G

Q

L

I

R

T

R

K

G

A

L

A

M
|
M

Q

N

P

L

I

I

A

D

P

A

D

E

R

R

A

A

V

E

L

L

L

L

H

Y

E

S

A

R

M

M

G

G

Q

P

C

A

E

L

E

E

V

A

C

S

G
|
G

G
|
G

S
|
S

A

A

A

G

N
|
N

T

T

M

A

A

A

A

G

L

V

A

A

R

N

L

L

G

G

L

G

R

K

L

A

A

A

F

Y

I

F

G

G

Q

N

V

V

G

A

D

A

D

D

R

Q

L

L

G

G

R

D

L

I

F

F

A

T

A

H

D

D

M

I

A

R

A

A

S

Q

G

G

I

V

A

H

F

Y

P

Q

L

T

P

K

P

P

I

K

D

G

R

A

-

F

-

P

P

P

T

T

G

A

R

R

C

S

L

M

I

I

I

F

V

V

S

T

P

E

D

D

G

G

H

E

R
|
R

T

S

M
|
M

N

N

T
|
T

A

Y

I

L

G

G

A

A

S

C

E

V

Y

E

L

L

P

G

A

P

A

E

A

D

F

V

D

E

G

A

A

D

I

V

A

V

A

A

D

D

T

A

A

K

I

V

L

T

Y

Y

V

F

E
|
E

G

G

Y
|
Y

M

L

W

W

R

-

T

-

D

D

E

P

P

P

R

R

A

A

-

K

-

E

A

A

A

I

R

L

A

D

A

C

I

A

E

R

V

I

A

A

R

H

A

Q

H

H

G

G

R

R

R

E

T

M

A

S

F

M

T

T

L

L

S

S

S

D

E

S

Y

F

C

C

V

V

Q

D

Q

R

H

Y

H

R

D

G

D

E

F

F

V

L

A

D

L

L

L

M

D

R

A

S

G

G

L

K

I

V

D

D

I

I

L

V

F

F

A

A

N

N

E

R

G

Q

E

E

L

A

A

L

E

S

L

L

S

Y

G

Q

R

T

A

D

D

D

F

F

E

E

A

E

G

A

V

L

A

N

W

R

A

I

A

A

A

A

R

D

V

C

P

K

L

I

L

A

I

A

A

V

T

T

R

M

G
x
S

R
x
E

D

N

G

G

A

A

I

V

A

I

V

L

E

K

G

G

A

R

R

E

R

R

Y

Y

E

Y

A

V

P

N

A

A

E

I

P

R

F

I

G

R

A

E

V

V

V

V

D

D

T

T

T
|
T

G
|
G

A
|
A

G
|
G

D
|
D

L

L

F

F

A

A

A

S

G

G

V

F

L

L

A

Y

G

G

L

Y

A

T

Q

Q

G

G

R

R

D

S

L

L

P

E

V

D

A

C

L

G

R

K

M

L

G

G

A

C

I

L

A

A

A
|
A

G

G

R

I

I

V

I
|
I

A

Q

L

Q

T

I

G

G

P

P

R

R

active site: R125 (= R125), G275 (= G275), A276 (= A276), G277 (= G277), D278 (= D278)
binding N-(4,7-dihydro-1H-inden-6-yl)acetamide: S247 (≠ G247), E248 (≠ R248), A305 (= A305), I309 (= I309)
binding adenosine: N11 (= N13), I13 (≠ L15), D15 (= D17), M35 (= M37), G58 (= G60), G59 (= G61), S60 (= S62), N63 (= N65), M127 (= M127), T129 (= T129), E156 (= E156), Y158 (= Y158), T274 (= T274), D278 (= D278)

4k9iA Crystal structure of probable sugar kinase protein from rhizobium etli cfn 42 complexed with norharmane
39% identity, 93% coverage: 5:315/333 of query aligns to 3:315/330 of 4k9iA

query
sites
4k9iA

R

R

Y

F

D

D

V

V

V

L

A

T

I

V

G

G

N
|
N

A

A

L
x
I

V

V

D
|
D

V

I

L

I

C

S

H

R

K

C

D

N

D

D

G

Q

F

F

V

L

A

I

A

D

Q

N

G

Q

L

I

R

T

R

K

G

A

L

A

M
|
M

Q

N

P

L

I

I

A

D

P

A

D

E

R

R

A

A

V

E

L

L

L

L

H

Y

E

S

A

R

M

M

G

G

Q

P

C

A

E

L

E

E

V

A

C

S

G
|
G

G
|
G

S
|
S

A

A

A

G

N
|
N

T

T

M

A

A

A

A

G

L

V

A

A

R

N

L

L

G

G

L

G

R

K

L

A

A

A

F

Y

I

F

G

G

Q

N

V

V

G

A

D

A

D

D

R

Q

L

L

G

G

R

D

L

I

F

F

A

T

A

H

D

D

M

I

A

R

A

A

S

Q

G

G

I

V

A

H

F

Y

P

Q

L

T

P

K

P

P

I

K

D

G

R

A

-

F

-

P

P

P

T

T

G

A

R

R

C

S

L

M

I

I

I

F

V

V

S

T

P

E

D

D

G

G

H

E

R
|
R

T

S

M
|
M

N

N

T
|
T

A

Y

I

L

G

G

A

A

S

C

E

V

Y

E

L

L

P

G

A

P

A

E

A

D

F

V

D

E

G

A

A

D

I

V

A

V

A

A

D

D

T

A

A

K

I

V

L

T

Y

Y

V

F

E
|
E

G

G

Y
|
Y

M

L

W

W

R

-

T

-

D

D

E

P

P

P

R

R

A

A

-

K

-

E

A

A

A

I

R

L

A

D

A

C

I

A

E

R

V

I

A

A

R

H

A

Q

H

H

G

G

R

R

R

E

T

M

A

S

F

M

T

T

L

L

S

S

S

D

E
x
S

Y
x
F

C

C

V

V

Q
x
D

Q

R

H

Y

H

R

D

G

D

E

F

F

V

L

A

D

L

L

L

M

D

R

A

S

G

G

L

K

I

V

D

D

I

I

L

V

F

F

A

A

N

N

E

R

G

Q

E

E

L

A

A

L

E

S

L

L

S

Y

G
x
Q

R

T

A

D

D

D

F

F

E

E

A

E

G

A

V

L

A

N

W

R

A

I

A

A

A

A

R

D

V

C

P

K

L

I

L

A

I

A

A

V

T

T

R

M

G

S

R

E

D

N

G

G

A

A

I

V

A

I

V

L

E

K

G

G

A

R

R

E

R

R

Y

Y

E

Y

A

V

P

N

A

A

E

I

P

R

F

I

G

R

A

E

V

V

V

V

D

D

T

T

T
|
T

G
|
G

A
|
A

G
|
G

D
|
D

L

L

F

F

A

A

A

S

G

G

V

F

L

L

A

Y

G

G

L

Y

A

T

Q

Q

G

G

R

R

D

S

L

L

P

E

V

D

A

C

L

G

R

K

M

L

G

G

A

C

I

L

A

A

A

A

G

G

R

I

I

V

I

I

A

Q

L

Q

T

I

G

G

P

P

R

R

active site: R125 (= R125), G275 (= G275), A276 (= A276), G277 (= G277), D278 (= D278)
binding adenosine: N11 (= N13), I13 (≠ L15), D15 (= D17), M35 (= M37), G58 (= G60), G59 (= G61), S60 (= S62), N63 (= N65), M127 (= M127), T129 (= T129), E156 (= E156), Y158 (= Y158), T274 (= T274), D278 (= D278)
binding Norharmane: S190 (≠ E190), F191 (≠ Y191), D194 (≠ Q194), Q224 (≠ G224)

4k9cA Crystal structure of probable sugar kinase protein from rhizobium etli cfn 42 complexed with n-(hydroxymethyl)benzamide and 4-methyl-3,4- dihydro-2h-1,4-benzoxazine-7-carboxylic acid
39% identity, 93% coverage: 5:315/333 of query aligns to 3:315/330 of 4k9cA

query
sites
4k9cA

R

R

Y

F

D

D

V

V

V

L

A

T

I

V

G

G

N
|
N

A

A

L
x
I

V

V

D
|
D

V

I

L

I

C

S

H

R

K

C

D

N

D

D

G

Q

F

F

V

L

A

I

A

D

Q

N

G

Q

L

I

R

T

R

K

G

A

L

A

M
|
M

Q

N

P

L

I

I

A

D

P

A

D

E

R

R

A

A

V

E

L

L

L

L

H
x
Y

E

S

A

R

M

M

G

G

Q

P

C

A

E

L

E

E

V

A

C

S

G
|
G

G
|
G

S
|
S

A

A

A

G

N
|
N

T

T

M

A

A

A

A

G

L

V

A

A

R

N

L

L

G

G

L

G

R

K

L

A

A

A

F

Y

I

F

G

G

Q

N

V

V

G

A

D

A

D

D

R
x
Q

L
|
L

G

G

R
x
D

L

I

F

F

A

T

A

H

D

D

M

I

A

R

A

A

S

Q

G

G

I

V

A

H

F

Y

P

Q

L

T

P

K

P

P

I

K

D

G

R

A

-

F

-

P

P
|
P

T

T

G

A

R
|
R

C

S

L

M

I

I

I

F

V

V

S

T

P

E

D

D

G

G

H

E

R
|
R

T

S

M
|
M

N

N

T
|
T

A

Y

I

L

G

G

A

A

S

C

E

V

Y

E

L

L

P

G

A

P

A

E

A

D

F

V

D

E

G

A

A

D

I

V

A

V

A

A

D

D

T

A

A

K

I

V

L

T

Y

Y

V

F

E
|
E

G

G

Y
|
Y

M

L

W

W

R

-

T

-

D

D

E

P

P

P

R

R

A

A

-

K

-

E

A

A

A

I

R

L

A

D

A

C

I

A

E

R

V

I

A

A

R

H

A

Q

H

H

G

G

R

R

R

E

T

M

A

S

F

M

T

T

L

L

S

S

S

D

E
x
S

Y
x
F

C

C

V

V

Q
x
D

Q

R

H

Y

H

R

D

G

D

E

F

F

V

L

A

D

L

L

L

M

D

R

A

S

G

G

L

K

I

V

D

D

I

I

L

V

F

F

A

A

N

N

E

R

G

Q

E

E

L

A

A

L

E

S

L

L

S

Y

G
x
Q

R

T

A

D

D

D

F

F

E

E

A

E

G

A

V

L

A

N

W

R

A

I

A

A

A

A

R

D

V

C

P

K

L

I

L

A

I

A

A

V

T

T

R

M

G

S

R

E

D

N

G

G

A

A

I

V

A

I

V

L

E

K

G

G

A

R

R

E

R

R

Y

Y

E

Y

A

V

P

N

A

A

E

I

P

R

F

I

G

R

A

E

V

V

V

V

D

D

T

T

T
|
T

G
|
G

A
|
A

G
|
G

D
|
D

L

L

F

F

A

A

A

S

G

G

V

F

L

L

A

Y

G

G

L

Y

A

T

Q

Q

G

G

R

R

D

S

L

L

P

E

V

D

A

C

L

G

R

K

M

L

G

G

A

C

I

L

A

A

A

A

G

G

R

I

I

V

I

I

A

Q

L

Q

T

I

G

G

P
|
P

R

R

active site: R125 (= R125), G275 (= G275), A276 (= A276), G277 (= G277), D278 (= D278)
binding N-(hydroxymethyl)benzamide: Y47 (≠ H49), Q85 (≠ R87), L86 (= L88), D88 (≠ R90), P111 (= P111), R114 (= R114)
binding adenosine: N11 (= N13), I13 (≠ L15), D15 (= D17), M35 (= M37), G58 (= G60), G59 (= G61), S60 (= S62), N63 (= N65), M127 (= M127), T129 (= T129), E156 (= E156), Y158 (= Y158), T274 (= T274), D278 (= D278), P314 (= P314)
binding 4-methyl-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid: S190 (≠ E190), F191 (≠ Y191), D194 (≠ Q194), Q224 (≠ G224)

4k93A Crystal structure of probable sugar kinase protein from rhizobium etli cfn 42 complexed with n-(hydroxymethyl)benzamide
39% identity, 93% coverage: 5:315/333 of query aligns to 3:315/330 of 4k93A

query
sites
4k93A

R

R

Y

F

D

D

V

V

V

L

A

T

I

V

G

G

N
|
N

A

A

L
x
I

V

V

D
|
D

V

I

L

I

C

S

H

R

K

C

D

N

D

D

G

Q

F

F

V

L

A

I

A

D

Q

N

G

Q

L

I

R

T

R

K

G

A

L

A

M
|
M

Q

N

P
x
L

I
|
I

A

D

P

A

D

E

R

R

A

A

V

E

L

L

L

L

H
x
Y

E

S

A

R

M

M

G

G

Q

P

C

A

E

L

E

E

V

A

C

S

G
|
G

G
|
G

S
|
S

A

A

A

G

N
|
N

T

T

M

A

A

A

A

G

L

V

A

A

R

N

L

L

G

G

L

G

R

K

L

A

A

A

F

Y

I

F

G

G

Q

N

V

V

G

A

D

A

D

D

R
x
Q

L

L

G

G

R
x
D

L

I

F

F

A

T

A

H

D

D

M

I

A

R

A

A

S

Q

G

G

I

V

A

H

F

Y

P

Q

L

T

P

K

P

P

I

K

D

G

R

A

-

F

-

P

P

P

T

T

G

A

R
|
R

C

S

L

M

I

I

I

F

V

V

S

T

P

E

D

D

G

G

H

E

R
|
R

T

S

M
|
M

N

N

T
|
T

A

Y

I
x
L

G

G

A

A

S

C

E

V

Y

E

L

L

P

G

A

P

A

E

A

D

F

V

D

E

G

A

A

D

I

V

A

V

A

A

D

D

T

A

A

K

I

V

L

T

Y

Y

V

F

E
|
E

G

G

Y
|
Y

M

L

W

W

R

-

T

-

D
|
D

E

P

P

P

R

R

A

A

-

K

-

E

A

A

A

I

R

L

A

D

A

C

I

A

E

R

V

I

A

A

R

H

A

Q

H

H

G

G

R

R

R

E

T

M

A

S

F

M

T

T

L

L

S

S

S

D

E
x
S

Y
x
F

C

C

V

V

Q
x
D

Q

R

H

Y

H
x
R

D

G

D

E

F

F

V

L

A

D

L

L

L

M

D

R

A

S

G

G

L

K

I

V

D

D

I

I

L

V

F

F

A

A

N

N

E

R

G

Q

E

E

L

A

A
x
L

E
x
S

L

L

S

Y

G
x
Q

R

T

A
x
D

D

D

F

F

E

E

A

E

G

A

V

L

A

N

W
x
R

A

I

A

A

A

A

R

D

V

C

P

K

L

I

L

A

I

A

A

V

T

T

R

M

G

S

R

E

D

N

G

G

A

A

I

V

A

I

V

L

E

K

G

G

A

R

R

E

R

R

Y

Y

E

Y

A

V

P

N

A

A

E

I

P

R

F

I

G

R

A

E

V

V

V

V

D

D

T

T

T
|
T

G
|
G

A
|
A

G
|
G

D
|
D

L

L

F

F

A

A

A

S

G

G

V

F

L

L

A

Y

G

G

L

Y

A

T

Q

Q

G

G

R

R

D

S

L

L

P

E

V

D

A

C

L

G

R

K

M

L

G

G

A

C

I

L

A

A

A

A

G

G

R

I

I

V

I

I

A

Q

L

Q