SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_111609172.1 NCBI__GCF_003259225.1:WP_111609172.1 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)

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)
80% identity, 98% coverage: 14:586/586 of query aligns to 7:579/579 of B5ZZ34

query
sites
B5ZZ34

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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 (= C443) mutation to S: No change in activity. Does not affect binding of iron-sulfur cluster.
C443 (= C450) mutation to S: Slight decrease in activity. Does not affect binding of iron-sulfur cluster.
E453 (= E460) binding Mg(2+)
S480 (= S487) mutation to A: Loss of activity.

5j85A Ser480ala mutant of l-arabinonate dehydratase (see paper)
79% identity, 98% coverage: 14:586/586 of query aligns to 4:576/576 of 5j85A

query
sites
5j85A

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H

binding fe2/s2 (inorganic) cluster: C56 (= C66), N89 (≠ S99), C124 (= C134), D125 (= D135), T196 (≠ G206), C197 (= C207)
binding magnesium ion: E88 (= E98), D125 (= D135), K126 (= K136), T202 (= T212), E450 (= E460)

Q1JUQ1 L-arabonate dehydratase; L-arabinonate dehydratase; EC 4.2.1.25 from Azospirillum brasilense (see paper)
67% identity, 97% coverage: 17:586/586 of query aligns to 7:583/583 of Q1JUQ1

query
sites
Q1JUQ1

K

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D

D

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C
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C

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N

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T

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L

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C
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A

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A

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E

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F

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M

M

M

L

Y

T

R

R

N

N

M

L

A

A

A

S

M

M

D

D

V

V

E

E

E

E

A

A

L

I

R

R

A

G

N

N

P

P

L

I

D

D

G

A

V

V

V

V

L

L

L

L

A

A

G

G

C
|
C

D

D

K

K

T

T

T

T

P

P

A

A

L

L

L

L

M

M

G

G

A

A

C

A

S

S

V

C

D

D

I

V

P

P

A

A

I

I

V

V

V

V

S

S

G

G

G

G

P

P

M

M

L

L

N

N

G

G

Y

K

F

L

R

E

G

G

E

K

R

N

V

I

G

G

S

S

G

G

T

T

A

A

L

V

W

W

Q

Q

M

L

S

H

E

E

D

A

I

L

K

K

A

A

G

G

K

E

M

I

T

D

Q

V

E

H

D

H

F

F

L

L

E

S

A

A

E

E

Q

A

S

G

M

M

S

S

R

R

S

S

A

A

G

G

G

T

C
|
C

N

N

T

T

M

M

G

G

T

T

A

A

S

S

T

T

M

M

A

A

S

C

M

M

A

A

E

E

A

A

L

L

G

G

M

V

A

A

L

L

S

P

G

H

N

N

A

A

A

A

I

I

P

P

A

A

V

V

D

D

S

S

R

R

R

R

R

Y

V

V

M

L

A

A

H

H

L

M

T

S

G

G

R

I

R

R

I

I

V

V

D

E

M

M

V

A

K

L

D

E

D

G

L

L

K

V

P

L

S

S

D

K

I

I

L

L

T

T

R

R

Q

A

A

A

F

F

E

E

N

N

A

A

I

I

R

R

V

A

N

N

G

A

A

A

I

I

G

G

G

G

S

S

T

T

N

N

A

A

V

V

I

I

H

H

L

L

L

K

A

A

I

I

A

A

G

G

R

R

V

I

G

G

V

V

D

P

L

L

N

E

L

L

D

E

D

D

W

W

D

M

K

R

L

I

G

G

Q

R

N

D

I

T

A

P

T

T

I

I

V

V

N

D

L

L

M

M

P

P

S

S

G

G

K

R

Y

F

L

P

M

M

E

E

E

E

F

F

F

Y

Y

Y

A

A

G

G

G

G

L

L

P

P

V

A

V

V

I

L

K

R

H

R

L

L

A

G

E

E

A

G

G

G

K

L

L

L

-

P

H

N

K

P

N

D

A

A

I

L

T

T

V

V

S

N

G

G

E

K

S

S

I

L

W

W

D

D

E

N

V

V

K

R

E

E

V

A

R

P

N

N

W

Y

N

D

P

E

D

E

V

V

I

I

L

R

P

P

V

L

E

D

K

R

A

P

L

L

T

I

Q

A

K

D

G

G

G

G

I

I

V

R

V

I

L

L

K

R

G

G

N

N

L

L

A

A

P

P

L

R

G

G

A

A

V

V

L

L

K

K

P

P

S

S

A

A

A

A

S

S

A

P

H

E

L

L

L

L

Q

K

H

H

R

R

G

G

R

R

A

A

V

V

V

V

F

F

E

E

D

N

I

L

D

D

D

H

Y

Y

K

K

A

A

K

T

I

I

N

N

D

D

E

E

A

A

L

L

D

D

I

I

D

D

E

A

H

S

C

S

V

V

M

M

V

V

L

L

K

K

N

N

C
|
C

G

G

P

P

K

R

G

G

Y

Y

P

P

G

G

M

M

A

A

E

E

V

V

G

G

N

N

M

M

G

G

L

L

P

P

P

P

K

K

V

L

L

L

R

R

K

Q

G

G

I

V

K

K

D

D

M

M

V

V

R

R

I

I

S

S

D

D

A

A

R

R

M

M

S

S

G

G

T

T

A

A

Y

Y

G

G

T

T

V

V

V

V

L

L

H

H

T

V

T

A

P

P

E

E

A

A

A

A

A

A

G

G

G

G

P

P

L

L

A

A

V

A

I

V

Q

R

N

N

G

G

D

D

M

W

I

I

E

E

L

L

D

D

V

C

E

E

N

A

R

G

R

T

L

L

H

H

V

L

D

D

I

I

S

T

D

D

E

D

E

E

M

L

A

H

T

R

R

R

L

L

A

S

N

D

W

V

K

D

S

P

H

-

L

T

E

A

A

A

P

P

-

G

-

V

-

A

-

G

-

Q

-

L

-

G

K

K

S

G

G

G

Y

Y

I

A

K

R

L

L

F

Y

H

I

D

D

H

H

V

V

Q

L

G

Q

A

A

D

D

T

E

G

G

A

C

D

D

F

L

D

D

F

F

L

L

K

V

G

G

C

T

R

R

G

G

A

A

A

E

V

V

P

P

K

S

D

H

S

S

H

H

C47 (= C57) 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 (= C450) mutation to A: Increase in activity and still binds a 4Fe-4S cluster.

8ej0A Crystal structure of fe-s cluster-dependent dehydratase from paralcaligenes ureilyticus in complex with mg
64% identity, 97% coverage: 19:586/586 of query aligns to 3:568/568 of 8ej0A

query
sites
8ej0A

R

R

S

S

T

Q

E

A

W

W

F

F

G

G

G

R

T

L

S

D

R

R

D

D

H

G

I

F

Y

I

H

Y

R

R

S

S

W

W

M

M

K

K

N

N

Q

R

G

G

L

I

P

P

A

H

D

D

L

Q

F

F

D

D

G

G

R

R

P

P

V

V

I

I

G

G

I

I

C

C

N

N

T

T

W

F

S

S

Q

E

L

L

T

T

P

P

C
|
C

N

N

A

S

H

H

L

F

R

R

E

T

L

L

A

A

D

E

R

Q

V

V

K

K

H

I

G

G

I

V

Y

W

E

E

A

S

G

G

G

G

L

F

P

P

L

L

E

E

F

F

P

P

V

V

F

M

S

S

V

L

G

G

E
|
E

S

T

S

M

L

L

R

R

P

P

T

T

A

A

M

M

M

L

Y

F

R

R

N

N

M

L

A

A

A

S

M

M

D

D

V

V

E

E

E

E

A

S

L

I

R

R

A

G

N

N

P

P

L

L

D

D

G

G

V

V

V

V

L

L

L

L

A

M

G

G

C
|
C

D
|
D

K
|
K

T

T

T

T

P

P

A

S

L

L

L

M

M

M

G

G

A

A

C

A

S

S

V

C

D

D

I

L

P

P

A

T

I

I

V

G

V

V

S

S

G

G

G

G

P

P

M

M

L

L

N

S

G

G

Y

K

F

F

R

R

G

G

E

R

R

E

V

L

G

G

S

S

G

G

T

T

A

D

L

V

W
|
W

Q

K

M

M

S

S

E

E

D

E

I

V

K

R

A

A

G

G

K

Q

M

M

T

S

Q

Q

E

E

D

E

F

F

L

F

E

E

A

A

E

E

Q

S

S

C

M

M

S

H

R

R

S

S

A

H

G

G

G

H

C
|
C

N

M

T

T

M

M

G

G

T
|
T

A

A

S

S

T

T

M

M

A

A

S

S

M

M

A

V

E

E

A

A

L

L

G

G

M

M

A

S

L

L

S

P

G

G

N

N

A

A

A

A

I

I

P

P

A

A

V

V

D

D

S

A

R

R

R

R

R

N

V

L

M

L

A

A

H

R

L

A

T

S

G

G

R

R

R

R

I

I

V

V

D

Q

M

M

V

V

K

K

D

D

D

D

L

L

K

V

P

M

S

S

D

K

I

I

L

L

T

T

R

R

Q

Q

A

A

F

F

E

E

N

N

A

A

I

I

R

R

V

V

N

N

G

A

A

A

I

I

G

G

G

G

S

S

T

T

N

N

A

A

V

V

I

I

H

H

L

L

L

L

A

A

I

I

A

A

G

G

R

R

V

I

G

G

V

V

D

D

L

L

N

T

L

L

D

A

D

D

W

W

D

D

K

A

L

L

G

G

Q

H

N

K

I

L

A

P

T

C

I

L

V

V

N

D

L

L

M

Q

P

P

S

S

G

G

K

T

Y

H

L

L

M

M

E

E

E

D

F

F

F

Y

Y

Y

A

A

G

G

G

G

L

V

P

P

V

A

V

V

I

I

K

R

H

E

L

L

A

G

E

D

A

V

G

-

K

-

L

I

H

A

K

R

N

D

A

A

I

L

T

T

V

V

S

N

G

G

E

Q

S

T

I

L

W

W

D

D

E

N

V

C

K

K

E

D

V

A

R

P

N

N

W

W

N

N

P

R

D

E

V

V

I

I

L

H

P

A

V

F

E

N

K

E

A

P

L

F

T

K

Q

T

K

E

G

A

G

G

I

I

V

A

V

V

L

L

K

R

G

G

N

N

L

L

A

C

P

P

L

D

G

G

A

A

V

V

L

I

K

K

P

P

S

S

A

A

A

A

S

T

A

P

H

A

L

L

L

L

Q

K

H

H

R

K

G

G

R

R

A

A

V

V

V

V

F

F

E

E

D

N

I

S

D

E

D

H

Y

M

K

H

A

E

K

R

I

M

N

D

D

D

E

E

A

N

L

L

D

D

I

V

D

D

E

E

H

N

C

C

V

V

M

L

V

V

L

L

K

K

N

N

C

C

G

G

P

P

K

R

G

G

Y

Y

P

P

G

G

M

M

A

A

E
|
E

V

A

G

G

N

N

M

M

G

P

L

L

P

P

P

P

K

K

V

I

L

L

R

R

K

K

G

G

I

I

K

T

D

D

M

M

V

V

R

R

I

V

S

S

D

D

A

A

R

R

M

M

S
|
S

G
|
G

T

T

A

A

Y

Y

G

G

T

T

V

V

V

V

L

L

H

H

T

V

T

A

P

P

E

E

A

A

A

A

A

A

G

G

G

G

P

P

L

L

A

A

V

L

I

V

Q

Q

N

D

G

G

D

D

M

I

I

I

E

E

L

L

D

D

V

V

E

A

N

A

R

R

R

K

L

L

H

H

V

L

D

H

I

V

S

S

D

D

E

E

E

E

M

L

A

A

T

R

R

R

L

R

A

E

N

A

W

W

K

Q

S

A

H

P

L

P

E

A

A

P

P

M

K

A

S

R

G

G

Y

W

I

V

K

K

L

L

F

Y

H

V

D

E

H

H

V

V

Q

Q

G

Q

A

A

D

N

T

L

G

G

A

A

D

D

F

L

D

D

F

F

L

L

K

R

G

G

C

K

R

S

G

G

A

A

A

G

V

I

P

P

K

K

D

D

S

N

H

H

binding bicarbonate ion: D119 (= D135), W161 (= W177), T196 (= T212), E442 (= E460), S469 (= S487), S469 (= S487), G470 (= G488)
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 (= E460)

8epzA Crystal structure of fe-s cluster-dependent dehydratase from paralcaligenes ureilyticus in complex with mn
64% identity, 97% coverage: 19:586/586 of query aligns to 4:569/569 of 8epzA

query
sites
8epzA

R

R

S

S

T

Q

E

A

W

W

F

F

G

G

G

R

T

L

S

D

R

R

D

D

H

G

I

F

Y

I

H

Y

R

R

S

S

W

W

M

M

K

K

N

N

Q

R

G

G

L

I

P

P

A

H

D

D

L

Q

F

F

D

D

G

G

R

R

P

P

V

V

I

I

G

G

I

I

C

C

N

N

T

T

W

F

S

S

Q

E

L

L

T

T

P

P

C
|
C

N

N

A

S

H

H

L

F

R

R

E

T

L

L

A

A

D

E

R

Q

V

V

K

K

H

I

G

G

I

V

Y

W

E

E

A

S

G

G

G

G

L

F

P

P

L

L

E

E

F

F

P

P

V

V

F

M

S

S

V

L

G

G

E
|
E

S

T

S

M

L

L

R

R

P

P

T

T

A

A

M

M

M

L

Y

F

R

R

N

N

M

L

A

A

A

S

M

M

D

D

V

V

E

E

E

E

A

S

L

I

R

R

A

G

N

N

P

P

L

L

D

D

G

G

V

V

V

V

L

L

L

L

A

M

G

G

C
|
C

D
|
D

K
|
K

T

T

T

T

P

P

A

S

L

L

L

M

M

M

G

G

A

A

C

A

S

S

V

C

D

D

I

L

P

P

A

T

I

I

V

G

V

V

S

S

G

G

G

G

P

P

M

M

L

L

N

S

G

G

Y

K

F

F

R

R

G

G

E

R

R

E

V

L

G

G

S

S

G

G

T

T

A

D

L

V

W

W

Q

K

M

M

S

S

E

E

D

E

I

V

K

R

A

A

G

G

K

Q

M

M

T

S

Q

Q

E

E

D

E

F

F

L

F

E

E

A

A

E

E

Q

S

S

C

M

M

S

H

R

R

S

S

A

H

G

G

G

H

C
|
C

N

M

T

T

M

M

G

G

T

T

A

A

S

S

T

T

M

M

A

A

S

S

M

M

A

V

E

E

A

A

L

L

G

G

M

M

A

S

L

L

S

P

G

G

N

N

A

A

A

A

I

I

P

P

A

A

V

V

D

D

S

A

R

R

R

R

R

N

V

L

M

L

A

A

H

R

L

A

T

S

G

G

R

R

R

R

I

I

V

V

D

Q

M

M

V

V

K

K

D

D

D

D

L

L

K

V

P

M

S

S

D

K

I

I

L

L

T

T

R

R

Q

Q

A

A

F

F

E

E

N

N

A

A

I

I

R

R

V

V

N

N

G

A

A

A

I

I

G

G

G

G

S

S

T

T

N

N

A

A

V

V

I

I

H

H

L

L

L

L

A

A

I

I

A

A

G

G

R

R

V

I

G

G

V

V

D

D

L

L

N

T

L

L

D

A

D

D

W

W

D

D

K

A

L

L

G

G

Q

H

N

K

I

L

A

P

T

C

I

L

V

V

N

D

L

L

M

Q

P

P

S

S

G

G

K

T

Y

H

L

L

M

M

E

E

E

D

F

F

F

Y

Y

Y

A

A

G

G

G

G

L

V

P

P

V

A

V

V

I

I

K

R

H

E

L

L

A

G

E

D

A

V

G

-

K

-

L

I

H

A

K

R

N

D

A

A

I

L

T

T

V

V

S

N

G

G

E

Q

S

T

I

L

W

W

D

D

E

N

V

C

K

K

E

D

V

A

R

P

N

N

W

W

N

N

P

R

D

E

V

V

I

I

L

H

P

A

V

F

E

N

K

E

A

P

L

F

T

K

Q

T

K

E

G

A

G

G

I

I

V

A

V

V

L

L

K

R

G

G

N

N

L

L

A

C

P

P

L

D

G

G

A

A

V

V

L

I

K

K

P

P

S

S

A

A

A

A

S

T

A

P

H

A

L

L

L

L

Q

K

H

H

R

K

G

G

R

R

A

A

V

V

V

V

F

F

E

E

D

N

I

S

D

E

D

H

Y

M

K

H

A

E

K

R

I

M

N

D

D

D

E

E

A

N

L

L

D

D

I

V

D

D

E

E

H

N

C

C

V

V

M

L

V

V

L

L

K

K

N

N

C

C

G

G

P

P

K

R

G

G

Y

Y

P

P

G

G

M

M

A

A

E
|
E

V

A

G

G

N

N

M

M

G

P

L

L

P

P

P

P

K

K

V

I

L

L

R

R

K

K

G

G

I

I

K

T

D

D

M

M

V

V

R

R

I

V

S

S

D

D

A

A

R

R

M

M

S

S

G

G

T

T

A

A

Y

Y

G

G

T

T

V

V

V

V

L

L

H

H

T

V

T

A

P

P

E

E

A

A

A

A

A

A

G

G

G

G

P

P

L

L

A

A

V

L

I

V

Q

Q

N

D

G

G

D

D

M

I

I

I

E

E

L

L

D

D

V

V

E

A

N

A

R

R

R

K

L

L

H

H

V

L

D

H

I

V

S

S

D

D

E

E

E

E

M

L

A

A

T

R

R

R

L

R

A

E

N

A

W

W

K

Q

S

A

H

P

L

P

E

A

A

P

P

M

K

A

S

R

G

G

Y

W

I

V

K

K

L

L

F

Y

H

V

D

E

H

H

V

V

Q

Q

G

Q

A

A

D

N

T

L

G

G

A

A

D

D

F

L

D

D

F

F

L

L

K

R

G

G

C

K

R

S

G

G

A

A

A

G

V

I

P

P

K

K

D

D

S

N

H

H

binding fe2/s2 (inorganic) cluster: C51 (= C66), C119 (= C134), D120 (= D135), C192 (= C207)
binding manganese (ii) ion: E83 (= E98), D120 (= D135), K121 (= K136), E443 (= E460)

7m3kA Crystal structure of galactonate dehydratase from brucella melitensis biovar abortus 2308
49% identity, 89% coverage: 17:538/586 of query aligns to 1:535/587 of 7m3kA

query
sites
7m3kA

K

K

L

L

R

R

S

S

T

R

E

A

W

W

F

F

G

D

G

N

-

P

-

D

-

D

T

V

S

D

R

M

D

T

H

A

I

L

Y

Y

H

L

R

E

S

R

W

Y

M

M

K

-

N

N

Q

Y

G

G

L

L

P

S

A

Q

D

E

-

E

L

L

F

Q

D

S

G

G

R

R

P

P

V

I

I

I

G

G

I

I

C

A

N

Q

T

T

W

G

S

S

Q

D

L

L

T

S

P

P

C
|
C

N

N

A

R

H

H

L

H

R

L

E

E

L

L

A

A

D

K

R

R

V

V

K

R

H

D

G

G

I

V

Y

R

E

E

A

A

G

G

G

G

L

I

P

V

L

I

E

E

F

F

P

P

V

V

F

H

S

P

V

I

G

Q

E

E

S

T

S

G

L

K

R

R

P

P

T

T

A

A

M

G

M

L

Y

D

R

R

N

N

M

L

A

A

A

Y

M

L

D

G

V

L

E

V

E

E

A

V

L

L

R

Y

A

G

N

Y

P

P

L

L

D

D

G

G

V

V

V

V

L

L

L

T

A

I

G

G

C
|
C

D

D

K

K

T

T

T

T

P

P

A

A

L

C

L

L

M

M

G

A

A

A

C

A

S

T

V

V

D

N

I

I

P

P

A

A

I

I

V

A

V

L

S

S

G

V

G

G

P

P

M

M

L

L

N

N

G

G

Y

W

F

F

R

R

G

G

E

E

R

R

V

T

G

G

S

S

G

G

T

T

A

I

L

V

W

W

Q

K

M

A

S

R

E

E

D

L

I

L

K

A

A

K

G

G

K

E

M

I

T

D

Q

Y

E

Q

D

G

F

F

L

V

E

K

A

L

E

V

Q

A

S

S

M

S

S

A

R

P

S

S

A

T

G

G

G

Y

C

C

N

N

T

T

M

M

G

G

T

T

A

A

S

T

T

T

M

M

A

N

S

S

M

L

A

A

E

E

A

A

L

L

G

G

M

M

A

Q

L

L

S

P

G

G

N

S

A

A

A

A

I

I

P

P

A

A

V

P

D

Y

S

R

R

D

R

R

R

Q

V

E

M

V

A

A

H

Y

L

L

T

M

G

G

R

R

R

R

I

I

V

V

D

E

M

M

V

V

K

H

D

E

D

D

L

L

K

K

P

P

S

S

D

D

I

I

L

L

T

T

R

K

Q

E

A

A

F

F

E

I

N

N

A

A

I

I

R

R

V

V

N

N

G

S

A

A

I

I

G

G

G

G

S

S

T

T

N

N

A

A

V

P

I

I

H

H

L

L

L

N

A

A

I

L

A

A

G

R

R

H

V

I

G

G

V

V

D

E

L

L

N

T

L

V

D

D

D

D

W

W

D

Q

K

K

L

Y

G

G

Q

E

N

E

I

I

A

P

T

L

I

L

V

V

N

N

L

L

M

Q

P

P

S

A

G

G

K

E

Y

Y

L

L

M

G

E

E

E

D

F

Y

F

Y

Y

H

A

A

G

G

G

G

L

V

P

P

V

A

V

V

I

V

K

N

H

Q

L

L

A

M

E

G

A

Q

G

G

K

L

L

I

H

H

K

E

N

D

A

A

I

I

T

T

V

V

S

N

G

G

E

K

S

T

I

I

W

G

D

E

E

N

V

C

K

K

E

N

V

A

R

T

N

I

W

E

N

D

P

G

D

N

V

V

I

I

L

K

P

T

V

Y

E

D

K

Q

A

P

L

L

T

K

Q

K

K

H

G

A

G

G

I

F

V

R

V

V

L

L

K

R

G

G

N

N

L

L

A

F

P

S

L

-

G

S

A

A

V

I

L

M

K

K

P

L

S

S

A

V

A

I

S

S

A

D

H

E

L

F

L

R

Q

N

H

R

-

Y

-

L

-

S

-

D

-

A

-

K

-

D

-

P

-

N

-

A

-

F

R

E

G

G

R

K

A

A

V

V

V

V

F

F

E

D

D

G

I

P

D

E

D

D

Y

Y

K

H

A

H

K

R

I

I

N

D

D

D

E

P

A

A

L

L

D

E

I

I

D

D

E

E

H

H

C

T

V

V

M

L

V

F

L

M

K

R

N

G

C

A

G

G

P

P

K

I

G

G

Y

Y

P

P

G

G

M

A

A

A

E

E

V

V

G

V

N

N

M

M

G

R

L

A

P

P

P

D

K

Y

V

L

L

L

R

K

K

K

G

G

I

I

K

T

D

S

M

L

V

P

R

C

I

I

S

G

D

D

A

G

R

R

M

Q

S

S

G

G

T

T

A

S

Y

G

G

S

T

P

V

S

V

I

L

L

H

N

T

A

T

S

P

P

E

E

A

A

A

A

A

A

G

G

G

G

P

G

L

L

A

A

V

I

I

L

Q

K

N

T

G

G

D

D

M

R

I

V

E

R

L

I

D

D

V

L

E

G

N

R

R

G

R

T

L

A

H

D

V

I

D

L

I

I

S

S

D

D

E

E

E

E

M

L

A

A

T

E

R

R

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

5oynA Crystal structure of d-xylonate dehydratase in holo-form (see paper)
42% identity, 98% coverage: 15:586/586 of query aligns to 4:589/589 of 5oynA

query
sites
5oynA

P

P

R

R

K

R

L

F

R

R

S

S

T

R

E

D

W

W

F

F

G

-

G

-

T

D

S

N

R

P

D

D

H

H

I

I

-

D

-

M

-

T

-

A

-

L

Y

Y

H

L

R

E

S

R

W

F

M

M

K

N

N

Y

Q

G

G

I

L

T

P

P

A

E

D

E

L

L

F

R

D

S

G

G

R

K

P

P

V

I

I

I

G

G

I

I

C

A

N

Q

T

T

W

G

S

S

Q

D

L

I

T

S

P

P

C
|
C

N

N

A

R

H

I

L

H

R

L

E

D

L

L

A

V

D

Q

R

R

V

V

K

R

H

D

G

G

I

I

Y

R

E

D

A

A

G

G

G

G

L

I

P

P

L

M

E

E

F

F

P

P

V

V

F

H

S

P

V

I

G

F

E
|
E

S
x
N

S

C

L

R

R

R

P

P

T

T

A

A

M

A

M

L

Y

D

R

R

N

N

M

L

A

S

A

Y

M

L

D

G

V

L

E

V

E

E

A

T

L

L

R

H

A

G

N

Y

P

P

L

I

D

D

G

A

V

V

V

V

L

L

L

T

A

T

G

G

C
|
C

D
|
D

K
|
K

T

T

T

T

P

P

A

A

L

G

L

I

M

M

G

A

A

A

C

T

S

T

V

V

D

N

I

I

P

P

A

A

I

I

V

V

V

L

S

S

G

G

G

G

P

P

M

M

L

L

N

D

G

G

Y

W

F

H

R

E

G

N

E

E

R

L

V

V

G

G

S

S

G

G

T

T

A

V

L

I

W

W

Q

R

M

S

S

R

E

R

D

K

I

L

K

A

A

A

G

G

K

E

M

I

T

T

Q

E

E

E

D

E

F

F

L

I

E

D

A

R

E

A

Q

A

S

S

M

S

S

A

R

P

S

S

A

A

G

G

G

H

C
|
C

N

N

T

T

M

M

G

G

T

T

A

A

S

S

T

T

M

M

A

N

S

A

M

V

A

A

E

E

A

A

L

L

G

G

M

L

A

S

L

L

S

T

G

G

N

C

A

A

A

A

I

I

P

P

A

A

V

P

D

Y

S

R

R

E

R

R

R

G

V

Q

M

M

A

A

H

Y

L

K

T

T

G

G

R

Q

R

R

I

I

V

V

D

D

M

L

V

A

K

Y

D

D

D

D

L

V

K

K

P

P

S

L

D

D

I

I

L

L

T

T

R

K

Q

Q

A

A

F

F

E

E

N

N

A

A

I

I

R

A

V

L

N

V

G

A

A

A

I

A

G

G

G

G

S

S

T

T

N

N

A

A

V

Q

I

P

H

H

L

I

L

V

A

A

I

M

A

A

G

R

R

H

V

A

G

G

V

V

D

E

L

I

N

T

L

A

D

D

D

D

W

W

D

-

K

R

L

A

G

A

Q

Y

N

D

I

I

A

P

T

L

I

I

V

V

N

N

L

M

M

Q

P

P

S

A

G

G

K

K

Y

Y

L

L

M

G

E

E

E

R

F

F

F

H

Y

R

A

A

G

G

G

G

L

A

P

P

V

A

V

V

I

L

K

W

H

E

L

L

A

L

E

Q

A

Q

G

G

K

R

L

L

H

H

K

G

N

D

A

V

I

L

T

T

V

V

S

T

G

G

E

K

S

T

I

M

W

S

D

E

E

N

V

L

K

Q

E

G

V

R

R

E

N

T

W

S

N

D

P

R

D

E

V

V

I

I

L

F

P

P

V

Y

E

H

K

E

A

P

L

L

T

A

Q

E

K

K

G

A

G

G

I

F

V

L

V

V

L

L

K

K

G

G

N

N

L

L

A

F

P

D

L

F

G

-

A

A

V

I

L

M

K

K

P

S

S

S

A

V

A

I

S

G

A

E

H

E

L

F

L

R

Q

K

H

R

-

Y

-

L

-

S

-

Q

-

P

-

G

-

Q

-

E

-

G

-

V

-

F

R

E

G

A

R

R

A

A

V

I

V

V

F

F

E

D

D

G

I

S

D

D

D

D

Y

Y

K

H

A

K

K

R

I

I

N

N

D

D

E

P

A

A

L

L

D

E

I

I

D

D

E

E

H

R

C

C

V

I

M

L

V

V

L

I

K

R

N

G

C

A

G

G

P

P

K

I

G

G

Y

W

P

P

G

G

M

S

A

A

E
|
E

V

V

G

V

N

N

M

M

G

Q

L

P

P

P

P

D

K

H

V

L

L

L

R

K

K

K

G

G

I

I

K

M

D

S

M

L

V

P

R

T

I

L

S

G

D

D

A

G

R

R

M

Q

S

S

G

G

T

T

A

A

Y

D

G

S

T

P

V

S

V

I

L

L

H

N

T

A

T

S

P

P

E

E

A

S

A

A

A

I

G

G

G

G

P

G

L

L

A

S

V

W

I

L

Q

R

N

T

G

G

D

D

M

T

I

I

E

R

L

I

D

D

V

L

E

N

N

T

R

G

R

R

L

C

H

D

V

A

D

L

I

V

S

D

D

E

E

A

E

T

M

I

A

A

T

A

R

R

L

K

A

Q

N

D

W

G

K

I

S

P

H

A

L

V

E

P

A

A

P

T

K

M

S

T

G

P

Y

W

I

Q

K

E

L

I

F

Y

H

R

D

A

H

H

V

A

Q

S

G

Q

A

L

D

D

T

T

G

G

A

G

D

V

F

L

D

E

F

F

L

A

K

V

G

K

C

Y

R

Q

-

D

-

L

G

A

A

A

A

K

V

L

P

P

K

R

D

H

S

N

H

H

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 (= E460)

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)
42% identity, 98% coverage: 15:586/586 of query aligns to 10:595/595 of Q9A9Z2

query
sites
Q9A9Z2

P

P

R

R

K

R

L

F

R

R

S

S

T

R

E

D

W

W

F

F

G

-

G

-

T

D

S

N

R

P

D

D

H

H

I

I

-

D

-

M

-

T

-

A

-

L

Y

Y

H

L

R

E

S

R

W

F

M

M

K

N

N

Y

Q

G

G

I

L

T

P

P

A

E

D

E

L

L

F

R

D

S

G

G

R

K

P

P

V

I

I

I

G

G

I

I

C

A

N

Q

T

T

W

G

S

S

Q

D

L

I

T

S

P

P

C
|
C

N

N

A

R

H

I

L

H

R

L

E

D

L

L

A

V

D

Q

R

R

V

V

K

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G

G

I

I

Y

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D

A

A

G

G

G

G

L

I

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P

L

M

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E

F

F

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P

V

V

F

H

S

P

V

I

G

F

E
|
E

S

N

S

C

L

R

R

R

P

P

T

T

A

A

M

A

M

L

Y

D

R

R

N

N

M

L

A

S

A

Y

M

L

D

G

V

L

E

V

E

E

A

T

L

L

R

H

A

G

N

Y

P

P

L

I

D

D

G

A

V

V

V

V

L

L

L

T

A

T

G

G

C
|
C

D
|
D

K

K

T

T

T

T

P

P

A

A

L

G

L

I

M

M

G

A

A

A

C

T

S

T

V

V

D

N

I

I

P

P

A

A

I

I

V

V

V

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S

G

G

G

G

P

P

M

M

L

L

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D

G

G

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W

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G

N

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L

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V

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G

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L

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W

W

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I

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A

R

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A

Q

A

S

S

M

S

S

A

R

P

S

S

A

A

G

G

G

H

C
|
C

N

N

T

T

M

M

G

G

T

T

A

A

S

S

T

T

M

M

A

N

S

A

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V

A

A

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A

A

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L

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G

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L

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L

L

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G

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A

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A

A

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I

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D

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P

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L

D

D

I

I

L

L

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T

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Q

A

A

F

F

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N

N

A

A

I

I

R

A

V

L

N

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G

A

A

A

I

A

G

G

G

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T

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N

N

A

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Q

I

P

H

H

L

I

L

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A

A

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M

A

A

G

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A

G

G

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V

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L

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N

T

L

A

D

D

D

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W

W

D

-

K

R

L

A

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A

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Y

N

D

I

I

A

P

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L

I

I

V

V

N

N

L

M

M

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A

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N

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A

A

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K

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Y

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L

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F

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D

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I

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D

D

D

D

Y

Y

K

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A

K

K

R

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I

N

N

D

D

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P

A

A

L

L

D

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I

I

D

D

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H

R

C
|
C

V

I

M

L

V

V

L

I

K

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N

G

C

A

G

G

P

P

K

I

G

G

Y

W

P

P

G

G

M

S

A

A

E
|
E

V

V

G

V

N

N

M

M

G

Q

L

P

P

P

P

D

K

H

V

L

L

L

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K

K

K

G

G

I

I

K

M

D

S

M

L

V

P

R

T

I

L

S

G

D

D

A

G

R

R

M

Q

S

S

G

G

T

T

A

A

Y

D

G

S

T

P

V

S

V

I

L

L

H

N

T

A

T

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P

P

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E

A

S

A

A

A

I

G

G

G

G

P

G

L

L

A

S

V

W

I

L

Q

R

N

T

G

G

D

D

M

T

I

I

E

R

L

I

D

D

V

L

E

N

N

T

R

G

R

R

L

C

H

D

V

A

D

L

I

V

S

D

D

E

E

A

E

T

M

I

A

A

T

A

R

R

L

K

A

Q

N

D

W

G

K

I

S

P

H

A

L

V

E

P

A

A

P

T

K

M

S

T

G

P

Y

W

I

Q

K

E

L

I

F

Y

H

R

D

A

H

H

V

A

Q

S

G

Q

A

L

D

D

T

T

G

G

A

G

D

V

F

L

D

E

F

F

L

A

K

V

G

K

C

Y

R

Q

-

D

-

L

G

A

A

A

A

K

V

L

P

P

K

R

D

H

S

N

H

H

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 (= C443) mutation to S: Slight decrease in activity. Does not affect binding of iron-sulfur cluster.
E467 (= E460) binding Mg(2+)

6ovtA Crystal structure of ilvd from mycobacterium tuberculosis (see paper)
36% identity, 91% coverage: 35:567/586 of query aligns to 21:562/562 of 6ovtA

query
sites
6ovtA

R

R

S

G

W

M

M

L

K

R

N

A

Q

V

G

G

L

M

P

D

A

D

D

E

L

D

F

F

D

-

G

A

R

K

P

P

V

Q

I

I

G

G

I

V

C

A

N

S

T

S

W

W

S

N

Q

E

L

I

T

T

P

P

C
|
C

N

N

A

L

H

S

L

L

R

D

E

R

L

L

A

A

D

N

R

A

V

V

K

K

H

E

G

G

I

V

Y

F

E

S

A

A

G

G

G

G

L

Y

P

P

L

L

E

E

F

F

P

G

V

T

F

I

S

S

V

V

G

S

E
x
D

S
x
G

-

I

S

S

L

M

R

G

P

H

T

E

A

G

M

M

M

H

Y

F

-

S

-

L

-

V

-

S

R

R

N

E

M

V

A

I

A

A

M

D

D

S

V

V

E

E