SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_085125965.1 NCBI__GCF_900177295.1:WP_085125965.1 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 13 hits to proteins with known functional sites (download)

8ej0A Crystal structure of fe-s cluster-dependent dehydratase from paralcaligenes ureilyticus in complex with mg
50% identity, 96% coverage: 19:578/586 of query aligns to 3:561/568 of 8ej0A

query
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8ej0A

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binding bicarbonate ion: D119 (= D135), W161 (= W177), T196 (= T212), E442 (= E459), S469 (= S486), S469 (= S486), G470 (= G487)
binding fe2/s2 (inorganic) cluster: C50 (= C66), E82 (= E98), C118 (= C134), D119 (= D135), C191 (= C207)
binding magnesium ion: E82 (= E98), D119 (= D135), K120 (= K136), E442 (= E459)

8epzA Crystal structure of fe-s cluster-dependent dehydratase from paralcaligenes ureilyticus in complex with mn
50% identity, 96% coverage: 19:578/586 of query aligns to 4:562/569 of 8epzA

query
sites
8epzA

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binding fe2/s2 (inorganic) cluster: C51 (= C66), C119 (= C134), D120 (= D135), C192 (= C207)
binding manganese (ii) ion: E83 (= E98), D120 (= D135), K121 (= K136), E443 (= E459)

B5ZZ34 L-arabinonate dehydratase; ArDHT; D-fuconate dehydratase; Galactonate dehydratase; L-arabonate dehydratase; EC 4.2.1.25; EC 4.2.1.67; EC 4.2.1.6 from Rhizobium leguminosarum bv. trifolii (strain WSM2304) (see 2 papers)
47% identity, 97% coverage: 15:582/586 of query aligns to 8:576/579 of B5ZZ34

query
sites
B5ZZ34

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L

P

P

M

S

I

I

F

V

L

V

P

T

A

G

G

G

P

P

M

M

L

L

R

N

G

G

N

Y

Y

F

R

R

G

G

Q

E

A

R

L

V

G

G

S

S

G

G

S

T

D

H

A

L

W

W

K

K

Y

F

W

S

D

E

E

M

R

V

R

K

A

A

G

G

N

E

L

M

S

T

A

Q

A

A

E

E

W

F

Q

L

G

E

V

A

E

E

G

A

G

S

I

M

A

S

R

R

S

S

Y

S

G

G

H

T

C
|
C

M

N

T

T

M

M

G

G

T

T

A

A

S

S

T

T

M

M

T

A

A

S

I

M

A

A

E

E

A

A

L

L

G

G

L

M

T

A

L

L

S

S

G

G

A

N

S

A

S

A

I

I

P

P

A

G

A

V

D

D

A

S

N

R

H

R

I

K

R

V

M

M

A

A

S

Q

A

L

V

T

G

G

R

R

R

R

A

I

V

V

E

Q

M

M

A

V

W

K

E

D

D

D

L

L

T

K

P

P

D

S

R

E

V

I

L

M

D

T

A

K

R

Q

A

A

V

F

R

E

N

N

A

A

V

I

T

R

V

T

A

N

M

A

A

A

T

I

G

G

C

G

S

S

T

T

N

N

A

A

V

V

I

I

H

H

L

L

I

L

A

A

M

I

A

A

R

G

R

R

A

V

G

G

V

I

P

D

L

L

G

S

L

L

D

D

D

D

L

W

D

D

A

R

A

C

S

G

R

R

V

D

T

V

P

P

V

T

I

I

A

V

N

N

I

L

R

M

P

P

S

S

G

G

S

K

T

-

Y

Y

L

L

M

M

E

E

D

E

F

F

Y

F

Y

Y

A

A

G

G

G

G

L

L

R

P

A

V

L

V

M

L

A

K

R

R

L

L

G

G

D

E

R

A

-

G

-

L

L

L

D

H

L

K

S

D

A

A

V

L

T

T

V

V

S

S

G

G

R

E

T

T

L

V

G

W

E

D

E

E

L

V

E

K

G

D

A

V

E

V

V

N

Y

W

D

N

E

E

D

D

V

V

I

I

R

L

S

P

L

A

E

E

N

K

P

A

I

L

Y

T

Q

S

E

S

G

G

S

G

L

I

A

V

V

V

L

L

R

R

G

G

N

N

L

L

A

A

P

P

D

K

G

G

C

A

V

V

I

L

K

K

P

P

S

S

A

A

C

A

A

S

P

P

H

H

L

L

R

L

Q

V

H

H

E

K

G

G

R

R

A

A

L

V

V

V

F

F

D

E

S

D

Y

I

P

D

G

D

M

Y

K

K

A

A

A

K

V

I

E

N

D

D

E

D

S

N

L

L

D

D

V

I

T

D

A

E

D

N

D
x
C

V

I

L

M

V

V

L

M

R

K

N

N

A
x
C

G

G

P

P

R

K

G

G

G

Y

P

P

G

G

M

M

P

A

E
|
E

W

V

G

G

M

N

L

M

P

G

I

L

P

P

K

P

K

K

L

V

V

L

K

K

E

K

G

G

V

I

R

L

D

D

M

M

L

V

R

R

I

I

S

S

D

D

A

A

R

R

M

M

S
|
S

G

G

T

T

S

A

Y

Y

G

G

A

T

C

V

V

V

L

L

H

H

V

T

A

S

P

P

E

E

A

A

C

A

V

V

G

G

G

G

P

P

L

L

A

A

L

V

L

V

R

K

T

N

G

G

D

D

R

M

I

I

R

E

V

L

D

D

V

V

P

P

A

N

R

R

T

R

I

L

D

H

M

L

L

D

V

I

E

S

P

D

E

E

E

E

L

L

A

A

R

R

R

R

R

L

A

A

A

E

W

W

T

Q

P

P

P

N

A

H

E

D

T

L

V

P

G

T

R

S

G

G

W

Y

N

A

W

F

L

L

F

H

A

Q

R

Q

H

H

I

V

E

E

Q

G

A

A

D

D

Q

T

G

G

C

A

D

D

F

L

D

D

F

F

L

L

K

K

S

G

G

C

F

R

G

G

A

N

S

A

A

V

G

G

E

K

C59 (= C66) binding [2Fe-2S] cluster; mutation to S: Loss of activity. Does not bind iron-sulfur cluster.
E91 (= E98) binding Mg(2+)
C127 (= C134) binding [2Fe-2S] cluster; mutation to S: Loss of activity. Does not bind iron-sulfur cluster.
D128 (= D135) binding Mg(2+)
C200 (= C207) binding [2Fe-2S] cluster; mutation to S: Almost loss of activity. Does not bind iron-sulfur cluster.
C436 (≠ D442) mutation to S: No change in activity. Does not affect binding of iron-sulfur cluster.
C443 (≠ A449) mutation to S: Slight decrease in activity. Does not affect binding of iron-sulfur cluster.
E453 (= E459) binding Mg(2+)
S480 (= S486) mutation to A: Loss of activity.

5j85A Ser480ala mutant of l-arabinonate dehydratase (see paper)
47% identity, 97% coverage: 15:582/586 of query aligns to 5:573/576 of 5j85A

query
sites
5j85A

P

P

G

R

K

K

L

L

R

R

S

S

A

Q

R

E

W

W

F

Y

A

G

P

G

D

T

D

S

L

R

R

D

S

V

F

I

G

Y

H

H

R

R

S

G

R

W

A

L

M

K

Q

N

M

Q

G

G

Y

Y

A

P

P

H

E

D

D

L

W

F

A

D

G

G

K

R

P

P

V

V

V

I

A

G

I

I

V

L

N

N

T

T

W

W

S

S

D

D

A

M

Q

T

P

P

C
|
C

H

N

A

G

H

H

F

L

K

R

S

E

R

L

V

A

E

E

D

K

V

V

K

K

R

A

G

G

V

V

F

W

Q

E

A

A

G

G

G

G

F

F

P

P

M

L

E

E

L

V

P

P

A

V

L

F

S

S

L

A

S

S

E
|
E

S
x
N

F

T

V

F

K

R

P

P

T

T

T

A

M

M

L

M

Y

Y

R

R

N

N

M

L

L

A

A

A

M

L

E

A

T

V

E

E

E

E

L

A

L

I

R

R

S

G

H

Q

P

P

V

M

D

D

A

G

A

C

V

V

L

L

M

L

G

V

G

G

C
|
C

D
|
D

K
|
K

T

T

T

T

P

P

G

S

L

L

V

L

M

M

G

G

A

A

L

A

S

S

A

C

G

D

L

L

P

P

M

S

I

I

F

V

L

V

P

T

A

G

G

G

P

P

M

M

L

L

R

N

G

G

N

Y

Y

F

R

R

G

G

Q

E

A

R

L

V

G

G

S

S

G

G

S

T

D

H

A

L

W

W

K

K

Y

F

W

S

D

E

E

M

R

V

R

K

A

A

G

G

N

E

L

M

S

T

A

Q

A

A

E

E

W

F

Q

L

G

E

V

A

E

E

G

A

G

S

I

M

A

S

R

R

S

S

Y

S

G

G

H
x
T

C
|
C

M

N

T

T

M

M

G

G

T
|
T

A

A

S

S

T

T

M

M

T

A

A

S

I

M

A

A

E

E

A

A

L

L

G

G

L

M

T

A

L

L

S

S

G

G

A

N

S

A

S

A

I

I

P

P

A

G

A

V

D

D

A

S

N

R

H

R

I

K

R

V

M

M

A

A

S

Q

A

L

V

T

G

G

R

R

R

R

A

I

V

V

E

Q

M

M

A

V

W

K

E

D

D

D

L

L

T

K

P

P

D

S

R

E

V

I

L

M

D

T

A

K

R

Q

A

A

V

F

R

E

N

N

A

A

V

I

T

R

V

T

A

N

M

A

A

A

T

I

G

G

C

G

S

S

T

T

N

N

A

A

V

V

I

I

H

H

L

L

I

L

A

A

M

I

A

A

R

G

R

R

A

V

G

G

V

I

P

D

L

L

G

S

L

L

D

D

D

D

L

W

D

D

A

R

A

C

S

G

R

R

V

D

T

V

P

P

V

T

I

I

A

V

N

N

I

L

R

M

P

P

S

S

G

G

S

K

T

-

Y

Y

L

L

M

M

E

E

D

E

F

F

Y

F

Y

Y

A

A

G

G

G

G

L

L

R

P

A

V

L

V

M

L

A

K

R

R

L

L

G

G

D

E

R

A

-

G

-

L

L

L

D

H

L

K

S

D

A

A

V

L

T

T

V

V

S

S

G

G

R

E

T

T

L

V

G

W

E

D

E

E

L

V

E

K

G

D

A

V

E

V

V

N

Y

W

D

N

E

E

D

D

V

V

I

I

R

L

S

P

L

A

E

E

N

K

P

A

I

L

Y

T

Q

S

E

S

G

G

S

G

L

I

A

V

V

V

L

L

R

R

G

G

N

N

L

L

A

A

P

P

D

K

G

G

C

A

V

V

I

L

K

K

P

P

S

S

A

A

C

A

A

S

P

P

H

H

L

L

R

L

Q

V

H

H

E

K

G

G

R

R

A

A

L

V

V

V

F

F

D

E

S

D

Y

I

P

D

G

D

M

Y

K

K

A

A

A

K

V

I

E

N

D

D

E

D

S

N

L

L

D

D

V

I

T

D

A

E

D

N

D

C

V

I

L

M

V

V

L

M

R

K

N

N

A

C

G

G

P

P

R

K

G

G

G

Y

P

P

G

G

M

M

P

A

E
|
E

W

V

G

G

M

N

L

M

P

G

I

L

P

P

K

P

K

K

L

V

V

L

K

K

E

K

G

G

V

I

R

L

D

D

M

M

L

V

R

R

I

I

S

S

D

D

A

A

R

R

M

M

S

A

G

G

T

T

S

A

Y

Y

G

G

A

T

C

V

V

V

L

L

H

H

V

T

A

S

P

P

E

E

A

A

C

A

V

V

G

G

G

G

P

P

L

L

A

A

L

V

L

V

R

K

T

N

G

G

D

D

R

M

I

I

R

E

V

L

D

D

V

V

P

P

A

N

R

R

T

R

I

L

D

H

M

L

L

D

V

I

E

S

P

D

E

E

E

E

L

L

A

A

R

R

R

R

R

L

A

A

A

E

W

W

T

Q

P

P

P

N

A

H

E

D

T

L

V

P

G

T

R

S

G

G

W

Y

N

A

W

F

L

L

F

H

A

Q

R

Q

H

H

I

V

E

E

Q

G

A

A

D

D

Q

T

G

G

C

A

D

D

F

L

D

D

F

F

L

L

K

K

S

G

G

C

F

R

G

G

A

N

S

A

A

V

G

G

E

K

binding fe2/s2 (inorganic) cluster: C56 (= C66), N89 (≠ S99), C124 (= C134), D125 (= D135), T196 (≠ H206), C197 (= C207)
binding magnesium ion: E88 (= E98), D125 (= D135), K126 (= K136), T202 (= T212), E450 (= E459)

Q1JUQ1 L-arabonate dehydratase; L-arabinonate dehydratase; EC 4.2.1.25 from Azospirillum brasilense (see paper)
47% identity, 96% coverage: 17:578/586 of query aligns to 7:576/583 of Q1JUQ1

query
sites
Q1JUQ1

K

R

L

L

R

R

S

S

A

T

R

Q

W

W

F

F

A

G

P

T

D

N

D

D

L

K

R

N

S

G

F

F

G

M

H

Y

R

R

S

S

R

W

A

M

M

K

Q

N

M

Q

G

G

Y

I

A

P

P

D

E

H

D

E

W

F

A

D

G

G

K

R

P

P

V

I

V

I

A

G

I

I

V
x
C

N

N

T

T

W

W

S

S

D

E

A

L

Q

T

P

P

C
|
C

H

N

A

A

H

H

F

F

K

R

S

K

R

L

V

A

E

E

D

H

V

V

K

K

R

R

G

G

V

I

F

S

Q

E

A

A

G

G

G

G

F

F

P

P

M

V

E

E

L

F

P

P

A

V

L

F

S

S

L

N

S

G

E

E

S

S

F

N

V

L

K

R

P

P

T

S

T

A

M

M

L

L

Y

T

R

R

N

N

M

L

L

A

A

S

M

M

E

D

T

V

E

E

E

E

L

A

L

I

R

R

S

G

H

N

P

P

V

I

D

D

A

A

A

V

V

V

L

L

M

L

G

A

G

G

C
|
C

D

D

K

K

T

T

T

T

P

P

G

A

L

L

V

L

M

M

G

G

A

A

L

A

S

S

A

C

G

D

L

V

P

P

M

A

I

I

F

V

L

V

P

S

A

G

G

G

P

P

M

M

L

L

R

N

G

G

N

K

Y

L

R

E

G

G

Q

K

A

N

L

I

G

G

S

S

G

G

S

T

D

A

A

V

W

W

K

Q

Y

L

W

H

D

E

E

A

R

L

R

K

A

A

G

G

N

E

L

I

S

D

A

V

A

H

E

H

W

F

Q

L

G

S

V

A

E

E

G

A

G

G

I

M

A

S

R

R

S

S

Y

A

G

G

H

T

C
|
C

M

N

T

T

M

M

G

G

T

T

A

A

S

S

T

T

M

M

T

A

A

C

I

M

A

A

E

E

A

A

L

L

G

G

L

V

T

A

L

L

S

P

G

H

A

N

S

A

S

A

I

I

P

P

A

A

A

V

D

D

A

S

N

R

H

R

I

Y

R

V

M

L

A

A

S

H

A

M

V

S

G

G

R

I

R

R

A

I

V

V

E

E

M

M

A

A

W

L

E

E

D

G

L

L

T

V

P

L

D

S

R

K

V

I

L

L

D

T

A

R

R

A

A

A

V

F

R

E

N

N

A

A

V

I

T

R

V

A

A

N

M

A

A

A

T

I

G

G

C

G

S

S

T

T

N

N

A

A

V

V

I

I

H

H

L

L

I

K

A

A

M

I

A

A

R

G

R

R

A

I

G

G

V

V

P

P

L

L

G

E

L

L

D

E

D

D

L

W

D

M

A

R

A

I

S

G

R

R

V

D

T

T

P

P

V

T

I

I

A

V

N

D

I

L

R

M

P

P

S

S

G

G

S

R

T

-

Y

F

L

P

M

M

E

E

D

E

F

F

Y

Y

Y

Y

A

A

G

G

G

G

L

L

R

P

A

A

L

V

M

L

A

R

R

R

L

L

G

G

D

E

R

G

L

G

D

L

L

L

-

P

-

N

-

P

S

D

A

A

V

L

T

T

V

V

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N

G

G

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K

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L

L

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W

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L

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A

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Y

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D

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D

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V

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L

L

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N

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P

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I

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A

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G

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I

L

L

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G

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N

L

L

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A

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V

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K

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F

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L

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T

D

A

A

D

S

D

S

V

V

L

M

V

V

L

L

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N

N

A
x
C

G

G

P

P

R

R

G

G

G

Y

P

P

G

G

M

M

P

A

E

E

W

V

G

G

M

N

L

M

P

G

I

L

P

P

K

P

K

K

L

L

V

L

K

R

E

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G

G

V

V

R

K

D

D

M

M

L

V

R

R

I

I

S

S

D

D

A

A

R

R

M

M

S

S

G

G

T

T

S

A

Y

Y

G

G

A

T

C

V

V

V

L

L

H

H

V

V

A

A

P

P

E

E

A

A

C

A

V

A

G

G

G

G

P

P

L

L

A

A

L

A

L

V

R

R

T

N

G

G

D

D

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W

I

I

R

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V

L

D

D

V

C

P

E

A

A

R

G

T

T

I

L

D

H

M

L

L

D

V

I

E

T

P

D

E

D

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E

L

L

A

H

R

R

R

R

R

L

A

S

A

D

W

V

T

D

P

P

P

T

A

A

E

A

-

P

-

G

-

V

-

A

-

G

T

Q

V

L

G

G

R

K

-

G

G

G

W

Y

N

A

W

R

L

L

F

Y

A

I

R

D

H

H

I

V

E

L

Q

Q

A

A

D

D

Q

E

G

G

C

C

D

D

F

L

D

D

F

F

L

L

K

V

S

G

G

T

F

R

G

G

A

A

C47 (≠ V57) mutation to A: 2-fold reduction in activity and still binds a 4Fe-4S cluster.
C56 (= C66) mutation to A: Loss of activity but seems to be able to bind a Fe-S cluster.
C124 (= C134) binding [4Fe-4S] cluster; mutation to A: Loss of activity and no 4Fe-4S cluster binding.
C197 (= C207) binding [4Fe-4S] cluster; mutation to A: Loss of activity and no 4Fe-4S cluster binding.
C441 (≠ A449) mutation to A: Increase in activity and still binds a 4Fe-4S cluster.

Q9A9Z2 D-xylonate dehydratase; XyDHT; Gluconate dehydratase; EC 4.2.1.82; EC 4.2.1.39 from Caulobacter vibrioides (strain ATCC 19089 / CB15) (Caulobacter crescentus) (see 2 papers)
37% identity, 96% coverage: 7:571/586 of query aligns to 2:579/595 of Q9A9Z2

query
sites
Q9A9Z2

R

R

N

S

S

A

L

L

A

S

R

N

K

R

A

T

P

P

G

R

K

R

L

F

R

R

S

S

A

R

R

D

W

W

F

F

-

D

A

N

P

P

D

D

D

H

L

I

R

D

S

M

F

T

G

A

-

L

H

Y

R

L

S

E

R

R

A

F

M

M

Q

N

M

Y

G

G

Y

I

A

T

P

P

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E

D

E

W

L

-

R

A

S

G

G

K

K

P

P

V

I

V

I

A

G

I

I

V

A

N

Q

T

T

W

G

S

S

D

D

A

I

Q

S

P

P

C
|
C

H

N

A

R

H

I

F

H

K

L

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D

R

L

V

V

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Q

D

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V

V

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G

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I

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A

A

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G

G

G

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P

M

M

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E

L

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P

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L

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L

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F

E
|
E

S

N

F

C

V

R

K

R

P

P

T

T

T

A

M

A

L

L

Y

D

R

R

N

N

M

L

L

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A

Y

M

L

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G

T

L

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V

E

E

L

T

L

L

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H

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G

H

Y

P

P

V

I

D

D

A

A

A

V

V

V

L

L

M

T

G

T

G

G

C
|
C

D
|
D

K

K

T

T

T

T

P

P

G

A

L

G

V

I

M

M

G

A

A

A

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|
C

M

N

T

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M

M

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G

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A

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S

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M

M

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A

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A

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N

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A

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G

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N

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M

A

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N

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L

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A

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C

V

I

L

L

V

V

L

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G

A

A

G

G

P

P

R

I

G

G

G

W

P

P

G

G

M

S

P

A

E
|
E

W

V

G

V

M

N

L

M

P

Q

I

P

P

P

K

D

K

H

L

L

V

L

K

K

E

K

G

G

V

I

R

M

D

S

M

L

L

P

R

T

I

L

S

G

D

D

A

G

R

R

M

Q

S

S

G

G

T

T

S

A

Y

D

G

S

A

P

C

S

V

I

L

L

H

N

V

A

A

S

P

P

E

E

A

S

C

A

V

I

G

G

G

G

P

G

L

L

A

S

L

W

L

L

R

R

T

T

G

G

D

D

R

T

I

I

R

R

V

I

D

D

V

L

P

N

A

T

R

G

T

R

I

C

D

D

M

A

L

L

V

V

E

D

P

E

E

A

E

T

L

I

A

A

R

A

R

R

R

K

A

Q

A

D

W

G

T

I

P

P

P

A

A

V

E

P

T

A

V

T

G

M

R

T

G

P

W

W

N

Q

W

E

L

I

F

Y

A

R

R

A

H

H

I

A

E

S

Q

Q

A

L

D

D

Q

T

G

G

C

G

D

V

F

L

D

E

F

F

C64 (= C66) binding [2Fe-2S] cluster; mutation to S: Strong decrease in activity. Does not bind iron-sulfur cluster.
E96 (= E98) binding Mg(2+)
C132 (= C134) binding [2Fe-2S] cluster; mutation to S: Almost loss of activity. Does not bind iron-sulfur cluster.
D133 (= D135) binding Mg(2+)
C205 (= C207) binding [2Fe-2S] cluster; mutation to S: Strong decrease in activity. Does not bind iron-sulfur cluster.
C450 (≠ D442) mutation to S: Slight decrease in activity. Does not affect binding of iron-sulfur cluster.
E467 (= E459) binding Mg(2+)

7m3kA Crystal structure of galactonate dehydratase from brucella melitensis biovar abortus 2308
39% identity, 89% coverage: 17:540/586 of query aligns to 1:538/587 of 7m3kA

query
sites
7m3kA

K

K

L

L

R

R

S

S

A

R

R

A

W

W

F

F

-

D

A

N

P

P

D

D

D

D

L

V

R

D

S

M

F

T

G

A

-

L

H

Y

R

L

S

E

R

R

A

Y

M

M

Q

N

M

Y

G

G

Y

L

A

S

P

Q

E

E

D

E

W

L

-

Q

A

S

G

G

K

R

P

P

V

I

V

I

A

G

I

I

V

A

N

Q

T

T

W

G

S

S

D

D

A

L

Q

S

P

P

C
|
C

H

N

A

R

H

H

F

H

K

L

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E

R

L

V

A

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K

D

R

V

V

K

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G

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V

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G

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M

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P

L

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K

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P

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A

M

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L

L

Y

D

R

R

N

N

M

L

L

A

A

Y

M

L

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G

T

L

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V

E

E

L

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L

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S

G

H

Y

P

P

V

L

D

D

A

G

A

V

V

V

L

L

M

T

G

I

G

G

C
|
C

D

D

K

K

T

T

T

T

P

P

G

A

L

C

V

L

M

M

G

A

A

A

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A

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N

L

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P

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A

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I

F

A

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L

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G

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P

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M

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G

G

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Y

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G

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C

C

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M

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M

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N

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N

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Y

Y

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D

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N

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M

K

K

P

L

S

S

A

V

C

I

A

S

P

D

H

E

L

F

R

R

Q

N

H

R

-

Y

-

L

-

S

-

D

-

A

-

K

-

D

-

P

-

N

-

A

-

F

E

E

G

G

R

K

A

A

L

V

V

V

F

F

D

D

S

G

Y

P

P

E

G

D

M

Y

K

H

A

H

A

R

V

I

E

D

D

D

E

P

S

A

L

L

D

E

V

I

T

D

A

E

D

H

D

T

V

V

L

L

V

F

L

M

R

R

N

G

A

A

G

G

P

P

R

I

G

G

G

Y

P

P

G

G

M

A

P

A

E

E

W

V

G

V

M

N

L

M

P

R

I

A

P

P

K

D

K

Y

L

L

V

L

K

K

E

K

G

G

V

I

R

T

D

S

M

L

L

P

R

C

I

I

S

G

D

D

A

G

R

R

M

Q

S

S

G

G

T

T

S

S

Y

G

G

S

A

P

C

S

V

I

L

L

H

N

V

A

A

S

P

P

E

E

A

A

C

A

V

A

G

G

G

G

P

G

L

L

A

A

L

I

L

L

R

K

T

T

G

G

D

D

R

R

I

V

R

R

V

I

D

D

V

L

P

G

A

R

R

G

T

T

I

A

D

D

M

I

L

L

V

I

E

S

P

D

E

E

E

E

L

L

A

A

R

E

R

R

R

R

A

K

A

A

binding zinc ion: C53 (= C66), C121 (= C134)

5oynA Crystal structure of d-xylonate dehydratase in holo-form (see paper)
37% identity, 95% coverage: 13:571/586 of query aligns to 2:573/589 of 5oynA

query
sites
5oynA

K

R

A

T

P

P

G

R

K

R

L

F

R

R

S

S

A

R

R

D

W

W

F

F

-

D

A

N

P

P

D

D

D

H

L

I

R

D

S

M

F

T

G

A

-

L

H

Y

R

L

S

E

R

R

A

F

M

M

Q

N

M

Y

G

G

Y

I

A

T

P

P

E

E

D

E

W

L

-

R

A

S

G

G

K

K

P

P

V

I

V

I

A

G

I

I

V

A

N

Q

T

T

W

G

S

S

D

D

A

I

Q

S

P

P

C
|
C

H

N

A

R

H

I

F

H

K

L

S

D

R

L

V

V

E

Q

D

R

V

V

K

R

R

D

G

G

V

I

F

R

Q

D

A

A

G

G

G

G

F

I

P

P

M

M

E

E

L

F

P

P

A

V

L

H

S

P

L

I

S

F

E
|
E

S
x
N

F

C

V

R

K

R

P

P

T

T

T

A

M

A

L

L

Y

D

R

R

N

N

M

L

L

S

A

Y

M

L

E

G

T

L

E

V

E

E

L

T

L

L

R

H

S

G

H

Y

P

P

V

I

D

D

A

A

A

V

V

V

L

L

M

T

G

T

G

G

C
|
C

D
|
D

K
|
K

T

T

T

T

P

P

G

A

L

G

V

I

M

M

G

A

A

A

L

T

S

T

A

V

G

N

L

I

P

P

M

A

I

I

F

V

L

L

P

S

A

G

G

G

P

P

M

M

L

L

R

D

G

G

N

W

Y

H

R

E

G

N

Q

E

A

L

L

V

G

G

S

S

G

G

S

T

D

V

A

I

W

W

K

R

Y

S

W

R

D

R

E

K

R

L

R

A

A

A

G

G

N

E

L

I

S

T

A

E

A

E

E

E

W

F

Q

I

G

D

V

R

E

A

G

A

G

S

I

S

A

A

R

P

S

S

Y

A

G

G

H

H

C
|
C

M

N

T

T

M

M

G

G

T

T

A

A

S

S

T

T

M

M

T

N

A

A

I

V

A

A

E

E

A

A

L

L

G

G

L

L

T

S

L

L

S

T

G

G

A

C

S

A

S

A

I

I

P

P

A

A

A

P

D

Y

A

R

N

E

H

R

I

G

R

Q

M

M

A

A

S

Y

A

K

V

T

G

G

R

Q

R

R

A

I

V

V

E

D

M

L

A

A

W

Y

E

D

D

D

L

V

T

K

P

P

D

L

R

D

V

I

L

L

D

T

A

K

R

Q

A

A

V

F

R

E

N

N

A

A

V

I

T

A

V

L

A

V

M

A

A

A

T

A

G

G

C

G

S

S

T

T

N

N

A

A

V

Q

I

P

H

H

L

I

I

V

A

A

M

M

A

A

R

R

R

H

A

A

G

G

V

V

P

E

L

I

G

T

L

A

D

D

D

D

L

W

D

R

A

A

A

A

S

Y

R

D

V

I

T

-

P

P

V

L

I

I

A

V

N

N

I

M

R

Q

P

P

S

A

G

G

S

K

T

-

Y

Y

L

L

M

G

E

E

D

R

F

F

Y

H

Y

R

A

A

G

G

G

G

L

A

R

P

A

A

L

V

M

L

A

W

R

E

L

L

-

L

-

Q

G

Q

D

G

R

R

L

L

D

H

L

G

S

D

A

V

V

L

T

T

V

V

S

T

G

G

R

K

T

T

L

M

G

S

E

E

E

N

L

L

E

Q

G

G

A

R

E

E

V

T

Y

S

D

D

E

R

D

E

V

V

I

I

R

F

S

P

L

Y

E

H

N

E

P

P

I

L

Y

A

Q

E

E

K

G

A

S

G

L

F

A

L

V

V

L

L

R

K

G

G

N

N

L

L

A

F

P

-

D

D

G

F

C

A

V

I

I

M

K

K

P

S

S

S

A

V

C

I

A

G

P

E

H

E

L

F

R

R

Q

K

H

R

-

Y

-

L

-

S

-

Q

-

P

-

G

-

Q

-

E

-

G

-

V

-

F

E

E

G

A

R

R

A

A

L

I

V

V

F

F

D

D

S

G

Y

S

P

D

G

D

M

Y

K

H

A

K

A

R

V

I

E

N

D

D

E

P

S

A

L

L

D

E

V

I

T

D

A

E

D

R

D

C

V

I

L

L

V

V

L

I

R

R

N

G

A

A

G

G

P

P

R

I

G

G

G

W

P

P

G

G

M

S

P

A

E
|
E

W

V

G

V

M

N

L

M

P

Q

I

P

P

P

K

D

K

H

L

L

V

L

K

K

E

K

G

G

V

I

R

M

D

S

M

L

L

P

R

T

I

L

S

G

D

D

A

G

R

R

M

Q

S

S

G

G

T

T

S

A

Y

D

G

S

A

P

C

S

V

I

L

L

H

N

V

A

A

S

P

P

E

E

A

S

C

A

V

I

G

G

G

G

P

G

L

L

A

S

L

W

L

L

R

R

T

T

G

G

D

D

R

T

I

I

R

R

V

I

D

D

V

L

P

N

A

T

R

G

T

R

I

C

D

D

M

A

L

L

V

V

E

D

P

E

E

A

E

T

L

I

A

A

R

A

R

R

R

K

A

Q

A

D

W

G

T

I

P

P

P

A

A

V

E

P

T

A

V

T

G

M

R

T

G

P

W

W

N

Q

W

E

L

I

F

Y

A

R

R

A

H

H

I

A

E

S

Q

Q

A

L

D

D

Q

T

G

G

C

G

D

V

F

L

D

E

F

F

binding fe2/s2 (inorganic) cluster: C58 (= C66), N91 (≠ S99), C126 (= C134), D127 (= D135), C199 (= C207)
binding magnesium ion: E90 (= E98), D127 (= D135), K128 (= K136), E461 (= E459)

P9WKJ5 Dihydroxy-acid dehydratase; DAD; EC 4.2.1.9 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
37% identity, 88% coverage: 27:544/586 of query aligns to 26:549/575 of P9WKJ5

query
sites
P9WKJ5

D

D

D

G

L

L

R

E

S

K

F

A

G

A

H

A

R

R

S

G

R

M

A

L

M

R

Q

A

M

V

G

G

Y

M

A

D

P

D

E

E

D

D

W

F

A

A

G

-

K

K

P

P

V

Q

V

I

A

G

I

V

V

A

N

S

T

S

W

W

S

N

D

E

A

I

Q

T

P

P

C
|
C

H

N

A

L

H

S

F

L

K

D

S

R

R

L

V

A

E

N

D

A

V

V

K

K

R

E

G

G

V

V

F

F

Q

S

A

A

G

G

G

G

F

Y

P

P

M

L

E

E

L

F

P

G

A

T

L

I

S

S

L

V

S

S

E
x
D

S

G

F

I

V

S

K

M

-

G

-

H

-

E

-

G

-

M

P

H

T

F

T

S

M

L

L

V

Y

S

R

R

N

E

M

V

L

I

A

A

M

D

E

S

T

V

E

E

E

V

L

V

L

M

R

Q

S

A

H

E

P

R

V

L

D

D

A

G

A

S

V

V

L

L

M

L

G

A

G

G

C
|
C

D
|
D

K
|
K

T

S

T

L

P

P

G

G

L

M

V

L

M

M

G

A

A

A

L

A

S

R

A

L

G

D

L

L

P

A

M

A

I

V

F