SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 3607836 FitnessBrowser__Dino:3607836 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
64% identity, 99% coverage: 5:569/569 of query aligns to 2:568/568 of 8ej0A

query
sites
8ej0A

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binding bicarbonate ion: D119 (= D122), W161 (= W164), T196 (= T199), E442 (= E443), S469 (= S470), S469 (= S470), G470 (= G471)
binding fe2/s2 (inorganic) cluster: C50 (= C53), E82 (= E85), C118 (= C121), D119 (= D122), C191 (= C194)
binding magnesium ion: E82 (= E85), D119 (= D122), K120 (= K123), E442 (= E443)

8epzA Crystal structure of fe-s cluster-dependent dehydratase from paralcaligenes ureilyticus in complex with mn
64% identity, 99% coverage: 5:569/569 of query aligns to 3:569/569 of 8epzA

query
sites
8epzA

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binding fe2/s2 (inorganic) cluster: C51 (= C53), C119 (= C121), D120 (= D122), C192 (= C194)
binding manganese (ii) ion: E83 (= E85), D120 (= D122), K121 (= K123), E443 (= E443)

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)
59% identity, 99% coverage: 6:569/569 of query aligns to 12:579/579 of B5ZZ34

query
sites
B5ZZ34

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L

L

L

M

M

G

G

A

A

A

A

S

S

V

C

D

D

L

L

P

P

S

S

I

I

V

V

V

V

S

T

A

G

G

G

P

P

M

M

L

L

N

N

G

G

K

Y

Y

F

R

R

G

G

Q

E

D

R

I

V

G

G

S

S

G

G

T

T

D

H

V

L

W

W

K

K

F

F

S

S

E

E

A

M

V

V

R

K

A

A

G

G

E

E

M

M

T

T

L

Q

A

A

D

E

F

F

M

L

N

E

A

A

E

E

A

A

G

S

M

M

S

S

R

R

S

S

A

S

G

G

V

T

C
|
C

M

N

T

T

M

M

G

G

T

T

A

A

S

S

T

T

M

M

A

A

S

S

L

M

V

A

E

E

A

A

M

L

G

G

M

M

S

A

L

L

P

S

L

G

N

N

A

A

A

A

L

I

P

P

A

G

V

V

D

D

A

S

R

R

R

R

M

K

A

V

L

M

A

A

H

Q

L

L

T

T

G

G

K

R

R

R

I

I

V

V

E

Q

M

M

V

V

E

K

E

D

D

D

L

L

R

K

P

P

S

S

A

E

I

I

L

M

T

T

K

K

P

Q

A

A

F

F

E

E

N

N

A

A

I

I

L

R

A

T

N

N

A

A

A

A

V

I

G

G

G

G

S

S

T

T

N

N

A

A

V

V

M

I

H

H

L

L

L

L

A

A

L

I

A

A

G

G

R

R

A

V

G

G

V

I

D

D

L

L

T

S

L

L

K

D

D

D

F

W

E

D

-

R

I

C

G

G

G

R

E

D

I

V

P

P

L

T

L

I

V

V

N

N

C

L

M

M

P

P

S

S

G

G

K

K

Y

Y

L

L

M

M

E

E

D

E

F

F

A

F

Y

Y

A

A

G

G

G

G

M

L

P

P

V

V

V

V

L

L

S

K

E

R

L

L

R

G

D

E

H

A

-

G

-

L

-

L

L

H

R

K

P

D

A

A

T

L

T

T

V

V

L

S

G

G

K

E

D

T

I

V

A

W

A

D

Y

E

T

V

E

K

G

D

A

V

E

V

C

N

F

W

N

N

R

E

D

D

V

V

I

I

H

L

A

P

Y

A

D

E

A

K

P

A

V

L

K

T

P

S

A

S

A

G

G

G

L

I

R

V

V

V

L

L

R

R

G

G

S

N

L

L

A

A

P

P

D

K

G

G

A

A

I

V

V

L

K

K

P

P

S

S

A

A

A

A

T

S

D

P

A

H

L

L

L

L

E

V

H

H

E

K

G

G

P

R

A

A

F

V

V

V

F

F

E

E

N

D

I

I

E

D

D

D

M

Y

K

K

A

A

N

K

I

I

D

N

R

D

D

D

D

N

L

L

P

D

I

I

T

D

P

E

D

N

T
x
C

I

I

L

M

V

V

L

M

K

K

G

N

C
|
C

G

G

P

P

K

K

G

G

Y

Y

P

P

G

G

M

M

P

A

E
|
E

V

V

G

G

N

N

M

M

P

G

I

L

P

P

A

P

K

K

L

V

V

L

R

K

E

K

G

G

V

I

R

L

D

D

M

M

I

V

R

R

V

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

I

V

L

L

H

H

V

T

A

S

P

P

E

E

A

A

Q

A

A

V

G

G

G

G

P

P

L

L

A

A

L

V

V

V

K

K

T

N

G

G

D

D

R

M

I

I

R

E

V

L

S

D

A

V

R

P

E

N

G

R

V

R

L

L

D

H

L

L

L

D

V

I

D

S

A

D

T

E

E

E

L

L

A

A

A

R

R

R

R

L

A

A

A

E

W

W

Q

Q

P

P

D

N

P

H

P

D

H

L

Y

P

T

T

R

S

G

G

Y

Y

A

A

K

F

L

L

Y

H

I

Q

D

Q

H

H

V

V

L

E

Q

G

A

A

D

D

R

T

G

G

A

A

D

D

L

L

D

D

F

F

L

L

V

K

G

G

K

C

D

R

T

G

R

N

P

A

V

V

T

G

R

K

E

D

S

S

H

H

C59 (= C53) binding [2Fe-2S] cluster; mutation to S: Loss of activity. Does not bind iron-sulfur cluster.
E91 (= E85) binding Mg(2+)
C127 (= C121) binding [2Fe-2S] cluster; mutation to S: Loss of activity. Does not bind iron-sulfur cluster.
D128 (= D122) binding Mg(2+)
C200 (= C194) binding [2Fe-2S] cluster; mutation to S: Almost loss of activity. Does not bind iron-sulfur cluster.
C436 (≠ T426) mutation to S: No change in activity. Does not affect binding of iron-sulfur cluster.
C443 (= C433) mutation to S: Slight decrease in activity. Does not affect binding of iron-sulfur cluster.
E453 (= E443) binding Mg(2+)
S480 (= S470) mutation to A: Loss of activity.

5j85A Ser480ala mutant of l-arabinonate dehydratase (see paper)
59% identity, 99% coverage: 6:569/569 of query aligns to 9:576/576 of 5j85A

query
sites
5j85A

R

R

N

S

R

Q

A

E

W

W

Y

Y

G

G

K

G

L

T

D

S

K

R

D

D

G

V

F

I

I

Y

H

H

R

R

S

G

W

W

M

L

K

K

N

N

Q

Q

G

G

F

Y

P

P

D

H

H

D

V

L

F

F

D

D

G

G

R

R

P

P

V

V

I

I

G

G

I

I

C

L

N

N

T

T

W

W

S

S

E

D

L

M

T

T

P

P

C
|
C

N

N

H

G

G

H

L

L

R

R

T

E

L

L

A

A

E

E

G

K

V

V

K

K

R

A

G

G

V

V

W

W

E

E

A

A

G

G

G

G

F

F

P

P

V

L

E

E

F

V

P

P

V

V

M

F

S

S

L

A

G

S

E
|
E

T
x
N

Q

T

M

F

K

R

P

P

T

T

A

A

M

M

L

M

F

Y

R

R

N

N

L

L

L

A

A

A

M

L

D

A

V

V

E

E

E

E

S

A

I

I

R

R

A

G

Y

Q

G

P

M

M

D

D

G

G

V

C

V

V

L

L

L

L

G

V

G

G

C
|
C

D
|
D

K
|
K

T

T

T

T

P

P

G

S

Q

L

L

L

M

M

G

G

A

A

A

A

S

S

V

C

D

D

L

L

P

P

S

S

I

I

V

V

V

V

S

T

A

G

G

G

P

P

M

M

L

L

N

N

G

G

K

Y

Y

F

R

R

G

G

Q

E

D

R

I

V

G

G

S

S

G

G

T

T

D

H

V

L

W

W

K

K

F

F

S

S

E

E

A

M

V

V

R

K

A

A

G

G

E

E

M

M

T

T

L

Q

A

A

D

E

F

F

M

L

N

E

A

A

E

E

A

A

G

S

M

M

S

S

R

R

S

S

A

S

G

G

V
x
T

C
|
C

M

N

T

T

M

M

G

G

T
|
T

A

A

S

S

T

T

M

M

A

A

S

S

L

M

V

A

E

E

A

A

M

L

G

G

M

M

S

A

L

L

P

S

L

G

N

N

A

A

A

A

L

I

P

P

A

G

V

V

D

D

A

S

R

R

R

R

M

K

A

V

L

M

A

A

H

Q

L

L

T

T

G

G

K

R

R

R

I

I

V

V

E

Q

M

M

V

V

E

K

E

D

D

D

L

L

R

K

P

P

S

S

A

E

I

I

L

M

T

T

K

K

P

Q

A

A

F

F

E

E

N

N

A

A

I

I

L

R

A

T

N

N

A

A

A

A

V

I

G

G

G

G

S

S

T

T

N

N

A

A

V

V

M

I

H

H

L

L

L

L

A

A

L

I

A

A

G

G

R

R

A

V

G

G

V

I

D

D

L

L

T

S

L

L

K

D

D

D

F

W

E

D

-

R

I

C

G

G

G

R

E

D

I

V

P

P

L

T

L

I

V

V

N

N

C

L

M

M

P

P

S

S

G

G

K

K

Y

Y

L

L

M

M

E

E

D

E

F

F

A

F

Y

Y

A

A

G

G

G

G

M

L

P

P

V

V

V

V

L

L

S

K

E

R

L

L

R

G

D

E

H

A

-

G

-

L

-

L

L

H

R

K

P

D

A

A

T

L

T

T

V

V

L

S

G

G

K

E

D

T

I

V

A

W

A

D

Y

E

T

V

E

K

G

D

A

V

E

V

C

N

F

W

N

N

R

E

D

D

V

V

I

I

H

L

A

P

Y

A

D

E

A

K

P

A

V

L

K

T

P

S

A

S

A

G

G

G

L

I

R

V

V

V

L

L

R

R

G

G

S

N

L

L

A

A

P

P

D

K

G

G

A

A

I

V

V

L

K

K

P

P

S

S

A

A

A

A

T

S

D

P

A

H

L

L

L

L

E

V

H

H

E

K

G

G

P

R

A

A

F

V

V

V

F

F

E

E

N

D

I

I

E

D

D

D

M

Y

K

K

A

A

N

K

I

I

D

N

R

D

D

D

D

N

L

L

P

D

I

I

T

D

P

E

D

N

T

C

I

I

L

M

V

V

L

M

K

K

G

N

C

C

G

G

P

P

K

K

G

G

Y

Y

P

P

G

G

M

M

P

A

E
|
E

V

V

G

G

N

N

M

M

P

G

I

L

P

P

A

P

K

K

L

V

V

L

R

K

E

K

G

G

V

I

R

L

D

D

M

M

I

V

R

R

V

I

S

S

D

D

A

A

R

R

M

M

S

A

G

G

T

T

A

A

Y

Y

G

G

T

T

V

V

I

V

L

L

H

H

V

T

A

S

P

P

E

E

A

A

Q

A

A

V

G

G

G

G

P

P

L

L

A

A

L

V

V

V

K

K

T

N

G

G

D

D

R

M

I

I

R

E

V

L

S

D

A

V

R

P

E

N

G

R

V

R

L

L

D

H

L

L

L

D

V

I

D

S

A

D

T

E

E

E

L

L

A

A

A

R

R

R

R

L

A

A

A

E

W

W

Q

Q

P

P

D

N

P

H

P

D

H

L

Y

P

T

T

R

S

G

G

Y

Y

A

A

K

F

L

L

Y

H

I

Q

D

Q

H

H

V

V

L

E

Q

G

A

A

D

D

R

T

G

G

A

A

D

D

L

L

D

D

F

F

L

L

V

K

G

G

K

C

D

R

T

G

R

N

P

A

V

V

T

G

R

K

E

D

S

S

H

H

binding fe2/s2 (inorganic) cluster: C56 (= C53), N89 (≠ T86), C124 (= C121), D125 (= D122), T196 (≠ V193), C197 (= C194)
binding magnesium ion: E88 (= E85), D125 (= D122), K126 (= K123), T202 (= T199), E450 (= E443)

Q1JUQ1 L-arabonate dehydratase; L-arabinonate dehydratase; EC 4.2.1.25 from Azospirillum brasilense (see paper)
59% identity, 99% coverage: 6:569/569 of query aligns to 9:583/583 of Q1JUQ1

query
sites
Q1JUQ1

R

R

N

S

R

T

A

Q

W

W

Y

F

G

G

K

T

L

N

D

D

K

K

D

N

G

G

F

F

I

M

H

Y

R

R

S

S

W

W

M

M

K

K

N

N

Q

Q

G

G

F

I

P

P

D

D

H

H

V

E

F

F

D

D

G

G

R

R

P

P

V

I

I

I

G

G

I

I

C
|
C

N

N

T

T

W

W

S

S

E

E

L

L

T

T

P

P

C
|
C

N

N

H

A

G

H

L

F

R

R

T

K

L

L

A

A

E

E

G

H

V

V

K

K

R

R

G

G

V

I

W

S

E

E

A

A

G

G

G

G

F

F

P

P

V

V

E

E

F

F

P

P

V

V

M

F

S

S

L

N

G

G

E

E

T

S

Q

N

M

L

K

R

P

P

T

S

A

A

M

M

L

L

F

T

R

R

N

N

L

L

L

A

A

S

M

M

D

D

V

V

E

E

E

E

S

A

I

I

R

R

A

G

Y

N

G

P

M

I

D

D

G

A

V

V

V

V

L

L

L

L

G

A

G

G

C
|
C

D

D

K

K

T

T

T

T

P

P

G

A

Q

L

L

L

M

M

G

G

A

A

A

A

S

S

V

C

D

D

L

V

P

P

S

A

I

I

V

V

V

V

S

S

A

G

G

G

P

P

M

M

L

L

N

N

G

G

K

K

Y

L

R

E

G

G

Q

K

D

N

I

I

G

G

S

S

G

G

T

T

D

A

V

V

W

W

K

Q

F

L

S

H

E

E

A

A

V

L

R

K

A

A

G

G

E

E

M

I

T

D

L

V

A

H

D

H

F

F

M

L

N

S

A

A

E

E

A

A

G

G

M

M

S

S

R

R

S

S

A

A

G

G

V

T

C
|
C

M

N

T

T

M

M

G

G

T

T

A

A

S

S

T

T

M

M

A

A

S

C

L

M

V

A

E

E

A

A

M

L

G

G

M

V

S

A

L

L

P

P

L

H

N

N

A

A

A

A

L

I

P

P

A

A

V

V

D

D

A

S

R

R

R

R

M

Y

A

V

L

L

A

A

H

H

L

M

T

S

G

G

K

I

R

R

I

I

V

V

E

E

M

M

V

A

E

L

E

E

D

G

L

L

R

V

P

L

S

S

A

K

I

I

L

L

T

T

K

R

P

A

A

A

F

F

E

E

N

N

A

A

I

I

L

R

A

A

N

N

A

A

A

A

V

I

G

G

G

G

S

S

T

T

N

N

A

A

V

V

M

I

H

H

L

L

L

K

A

A

L

I

A

A

G

G

R

R

A

I

G

G

V

V

D

P

L

L

T

E

L

L

K

E

D

D

F

W

-

M

E

R

I

I

G

G

G

R

E

D

I

T

P

P

L

T

L

I

V

V

N

D

C

L

M

M

P

P

S

S

G

G

K

R

Y

F

L

P

M

M

E

E

D

E

F

F

A

Y

Y

Y

A

A

G

G

G

G

M

L

P

P

V

A

V

V

L

L

S

R

E

R

L

L

R

G

D

E

-

G

H

G

L

L

R

L

P

P

-

N

-

P

-

D

A

A

T

L

T

T

V

V

L

N

G

G

K

K

D

S

I

L

A

W

A

D

Y

N

T

V

E

R

G

E

A

A

E

P

C

N

F

Y

N

D

R

E

D

E

V

V

I

I

H

R

A

P

Y

L

D

D

A

R

P

P

V

L

K

I

P

A

A

D

A

G

G

G

L

I

R

R

V

I

L

L

R

R

G

G

S

N

L

L

A

A

P

P

D

R

G

G

A

A

I

V

V

L

K

K

P

P

S

S

A

A

A

A

T

S

D

P

A

E

L

L

L

L

E

K

H

H

E

R

G

G

P

R

A

A

F

V

V

V

F

F

E

E

N

N

I

L

E

D

D

H

M

Y

K

K

A

A

N

T

I

I

D

N

R

D

D

E

D

A

L

L

P

D

I

I

T

D

P

A

D

S

T

S

I

V

L

M

V

V

L

L

K

K

G

N

C
|
C

G

G

P

P

K

R

G

G

Y

Y

P

P

G

G

M

M

P

A

E

E

V

V

G

G

N

N

M

M

P

G

I

L

P

P

A

P

K

K

L

L

V

L

R

R

E

Q

G

G

V

V

R

K

D

D

M

M

I

V

R

R

V

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

I

V

L

L

H

H

V

V

A

A

P

P

E

E

A

A

Q

A

A

A

G

G

G

G

P

P

L

L

A

A

L

A

V

V

K

R

T

N

G

G

D

D

R

W

I

I

R

E

V

L

S

D

A

C

R

E

E

A

G

G

V

T

L

L

D

H

L

L

L

D

V

I

D

T

A

D

T

D

E

E

L

L

A

H

A

R

R

R

R

L

A

S

A

D

W

V

Q

D

P

P

D

T

P

A

P

A

H

P

Y

G

T

V

R

A

-

G

-

Q

-

L

-

G

-

K

-

G

G

G

Y

Y

A

A

K

R

L

L

Y

Y

I

I

D

D

H

H

V

V

L

L

Q

Q

A

A

D

D

R

E

G

G

A

C

D

D

L

L

D

D

F

F

L

L

V

V

G

G

K

T

D

R

T

G

R

A

P

E

V

V

T

P

R

S

E

H

S

S

H

H

C47 (= C44) mutation to A: 2-fold reduction in activity and still binds a 4Fe-4S cluster.
C56 (= C53) mutation to A: Loss of activity but seems to be able to bind a Fe-S cluster.
C124 (= C121) binding [4Fe-4S] cluster; mutation to A: Loss of activity and no 4Fe-4S cluster binding.
C197 (= C194) binding [4Fe-4S] cluster; mutation to A: Loss of activity and no 4Fe-4S cluster binding.
C441 (= C433) mutation to A: Increase in activity and still binds a 4Fe-4S cluster.

7m3kA Crystal structure of galactonate dehydratase from brucella melitensis biovar abortus 2308
46% identity, 92% coverage: 6:526/569 of query aligns to 3:540/587 of 7m3kA

query
sites
7m3kA

R

R

N

S

R

R

A

A

W

W

Y

F

G

D

K

N

-

P

-

D

-

D

L

V

D

D

K

M

D

T

G

A

F

L

I

Y

H

L

R

E

S

R

W

Y

M

M

K

N

N

Y

Q

G

G

L

F

S

P

Q

D

E

H

E

V

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

E

D

L

L

T

S

P

P

C
|
C

N

N

H

R

G

H

L

H

R

L

T

E

L

L

A

A

E

K

G

R

V

V

K

R

R

D

G

G

V

V

W

R

E

E

A

A

G

G

G

G

F

I

P

V

V

I

E

E

F

F

P

P

V

V

M

H

S

P

L

I

G

Q

E

E

T

T

Q

G

M

K

K

R

P

P

T

T

A

A

M

G

L

L

F

D

R

R

N

N

L

L

L

A

A

Y

M

L

D

G

V

L

E

V

E

E

S

V

I

L

R

Y

A

G

Y

Y

G

P

M

L

D

D

G

G

V

V

V

V

L

L

L

T

G

I

G

G

C
|
C

D

D

K

K

T

T

T

T

P

P

G

A

Q

C

L

L

M

M

G

A

A

A

A

A

S

T

V

V

D

N

L

I

P

P

S

A

I

I

V

A

V

L

S

S

A

V

G

G

P

P

M

M

L

L

N

N

G

G

K

W

Y

F

R

R

G

G

Q

E

D

R

I

T

G

G

S

S

G

G

T

T

D

I

V

V

W

W

K

K

F

A

S

R

E

E

A

L

V

L

R

A

A

K

G

G

E

E

M

I

T

D

L

Y

A

Q

D

G

F

F

M

V

N

K

A

L

E

V

A

A

G

S

M

S

S

A

R

P

S

S

A

T

G

G

V

Y

C

C

M

N

T

T

M

M

G

G

T

T

A

A

S

T

T

T

M

M

A

N

S

S

L

L

V

A

E

E

A

A

M

L

G

G

M

M

S

Q

L

L

P

P

L

G

N

S

A

A

A

A

L

I

P

P

A

A

V

P

D

Y

A

R

R

D

R

R

M

Q

A

E

L

V

A

A

H

Y

L

L

T

M

G

G

K

R

R

R

I

I

V

V

E

E

M

M

V

V

E

H

E

E

D

D

L

L

R

K

P

P

S

S

A

D

I

I

L

L

T

T

K

K

P

E

A

A

F

F

E

I

N

N

A

A

I

I

L

R

A

V

N

N

A

S

A

A

V

I

G

G

G

G

S

S

T

T

N

N

A

A

V

P

M

I

H

H

L

L

L

N

A

A

L

L

A

A

G

R

R

H

A

I

G

G

V

V

D

E

L

L

T

T

L

V

K

D

D

D

F

W

E

Q

-

K

I

Y

G

G

G

E

E

E

I

I

P

P

L

L

L

L

V

V

N

N

C

L

M

Q

P

P

S

A

G

G

K

E

Y

Y

L

L

M

G

E

E

D

D

F

Y

A

Y

Y

H

A

A

G

G

G

G

M

V

P

P

V

A

V

V

L

V

S

N

E

Q

L

L

R

M

D

G

H

Q

-

G

-

L

-

I

L

H

R

E

P

D

A

A

T

I

T

T

V

V

L

N

G

G

K

K

D

T

I

I

A

G

A

E

Y

N

T

C

E

K

G

N

A

A

E

T

C

I

F

E

N

D

R

G

D

N

V

V

I

I

H

K

A

T

Y

Y

D

D

A

Q

P

P

V

L

K

K

P

K

A

H

A

A

G

G

L

F

R

R

V

V

L

L

R

R

G

G

S

N

L

L

A

F

P

-

D

S

G

S

A

A

I

I

V

M

K

K

P

L

S

S

A

V

A

I

T

S

D

D

A

E

L

F

L

R

E

N

H

R

-

Y

-

L

-

S

-

D

-

A

-

K

-

D

-

P

-

N

-

A

-

F

E

E

G

G

P

K

A

A

F

V

V

V

F

F

E

D

N

G

I

P

E

E

D

D

M

Y

K

H

A

H

N

R

I

I

D

D

R

D

D

P

D

A

L

L

P

E

I

I

T

D

P

E

D

H

T

T

I

V

L

L

V

F

L

M

K

R

G

G

C

A

G

G

P

P

K

I

G

G

Y

Y

P

P

G

G

M

A

P

A

E

E

V

V

G

V

N

N

M

M

P

R

I

A

P

P

A

D

K

Y

L

L

V

L

R

K

E

K

G

G

V

I

R

T

D

S

M

L

I

P

R

C

V

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

I

I

L

L

H

N

V

A

A

S

P

P

E

E

A

A

Q

A

A

A

G

G

G

G

P

G

L

L

A

A

L

I

V

L

K

K

T

T

G

G

D

D

R

R

I

V

R

R

V

I

S

D

A

L

R

G

E

R

G

G

V

T

L

A

D

D

L

I

L

L

V

I

D

S

A

D

T

E

E

E

L

L

A

A

A

E

R

R

R

R

A

K

A

A

W

L

Q

E

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

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)
40% identity, 97% coverage: 6:557/569 of query aligns to 14:581/595 of Q9A9Z2

query
sites
Q9A9Z2

R

R

N

S

R

R

A

D

W

W

Y

F

G

D

K

N

-

P

-

D

-

H

L

I

D

D

K

M

D

T

G

A

F

L

I

Y

H

L

R

E

S

R

W

F

M

M

K

N

N

Y

Q

G

G

I

F

T

P

P

D

E

H

E

V

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

E

D

L

I

T

S

P

P

C
|
C

N

N

H

R

G

I

L

H

R

L

T

D

L

L

A

V

E

Q

G

R

V

V

K

R

R

D

G

G

V

I

W

R

E

D

A

A

G

G

G

G

F

I

P

P

V

M

E

E

F

F

P

P

V

V

M

H

S

P

L

I

G

F

E
|
E

T

N

Q

C

M

R

K

R

P

P

T

T

A

A

M

A

L

L

F

D

R

R

N

N

L

L

L

S

A

Y

M

L

D

G

V

L

E

V

E

E

S

T

I

L

R

H

A

G

Y

Y

G

P

M

I

D

D

G

A

V

V

V

V

L

L

L

T

G

T

G

G

C
|
C

D
|
D

K

K

T

T

T

T

P

P

G

A

Q

G

L

I

M

M

G

A

A

A

A

T

S

T

V

V

D

N

L

I

P

P

S

A

I

I

V

V

V

L

S

S

A

G

G

G

P

P

M

M

L

L

N

D

G

G

K

W

Y

H

R

E

G

N

Q

E

D

L

I

V

G

G

S

S

G

G

T

T

D

V

V

I

W

W

K

R

F

S

S

R

E

R

A

K

V

L

R

A

A

A

G

G

E

E

M

I

T

T

L

E

A

E

D

E

F

F

M

I

N

D

A

R

E

A

A

A

G

S

M

S

S

A

R

P

S

S

A

A

G

G

V

H

C
|
C

M

N

T

T

M

M

G

G

T

T

A

A

S

S

T

T

M

M

A

N

S

A

L

V

V

A

E

E

A

A

M

L

G

G

M

L

S

S

L

L

P

T

L

G

N

C

A

A

A

A

L

I

P

P

A

A

V

P

D

Y

A

R

R

E

R

R

M

G

A

Q

L

M

A

A

H

Y

L

K

T

T

G

G

K

Q

R

R

I

I

V

V

E

D

M

L

V

A

E

Y

E

D

D

D

L

V

R

K

P

P

S

L

A

D

I

I

L

L

T

T

K

K

P

Q

A

A

F

F

E

E

N

N

A

A

I

I

L

A

A

L

N

V

A

A

A

A

V

A

G

G

G

G

S

S

T

T

N

N

A

A

V

Q

M

P

H

H

L

I

L

V

A

A

L

M

A

A

G

R

R

H

A

A

G

G

V

V

D

E

L

I

T

T

L

A

K

D

D

D

F

W

E

R

I

A

G

A

G

Y

E

D

I

I

P

P

L

L

L

I

V

V

N

N

C

M

M

Q

P

P

S

A

G

G

K

K

Y

Y

L

L

M

G

E

E

D

R

F

F

A

H

Y

R

A

A

G

G

G

G

M

A

P

P

V

A

V

V

L

L

S

W

E

E

L

L

R

L

D

Q

H

Q

L

G

R

R

-

L

-

H

-

G

P

D

A

V

T

L

T

T

V

V

L

T

G

G

K

K

D

T

I

M

A

S

A

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Y

N

T

L

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G

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D

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R

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V

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I

H

F

A

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Y

Y

D

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A

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P

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L

K

A

P

E

A

K

A

A

G

G

L

F

R

L

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V

L

L

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G

G

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N

L

L

A

F

P

-

D

D

G

F

A

A

I

I

V

M

K

K

P

S

S

S

A

V

A

I

T

G

D

E

A

E

L

F

L

R

E

K

H

R

-

Y

-

L

-

S

-

Q

-

P

-

G

-

Q

-

E

-

G

-

V

-

F

E

E

G

A

P

R

A

A

F

I

V

V

F

F

E

D

N

G

I

S

E

D

D

D

M

Y

K

H

A

K

N

R

I

I

D

N

R

D

D

P

D

A

L

L

P

E

I

I

T

D

P

E

D

R

T
x
C

I

I

L

L

V

V

L

I

K

R

G

G

C

A

G

G

P

P

K

I

G

G

Y

W

P

P

G

G

M

S

P

A

E
|
E

V

V

G

V

N

N

M

M

P

Q

I

P

P

P

A

D

K

H

L

L

V

L

R

K

E

K

G

G

V

I

R

M

D

S

M

L

I

P

R

T

V

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

I

I

L

L

H

N

V

A

A

S

P

P

E

E

A

S

Q

A

A

I

G

G

G

G

P

G

L

L

A

S

L

W

V

L

K

R

T

T

G

G

D

D

R

T

I

I

R

R

V

I

S

D

A

L

R

N

E

T

G

G

V

R

L

C

D

D

L

A

L

L

V

V

D

D

A

E

T

A

E

T

L

I

A

A

A

A

R

R

R

K

A

Q

A

D

W

G

Q

I

P

P

D

A

P

V

P

P

H

A

Y

T

T

M

R

T

G

P

Y

W

A

Q

K

E

L

I

Y

Y

I

R

D

A

H

H

V

A

L

S

Q

Q

A

L

D

D

R

T

G

G

A

G

D

V

L

L

D

E

F

F

L

A

V

V

C64 (= C53) binding [2Fe-2S] cluster; mutation to S: Strong decrease in activity. Does not bind iron-sulfur cluster.
E96 (= E85) binding Mg(2+)
C132 (= C121) binding [2Fe-2S] cluster; mutation to S: Almost loss of activity. Does not bind iron-sulfur cluster.
D133 (= D122) binding Mg(2+)
C205 (= C194) binding [2Fe-2S] cluster; mutation to S: Strong decrease in activity. Does not bind iron-sulfur cluster.
C450 (≠ T426) mutation to S: Slight decrease in activity. Does not affect binding of iron-sulfur cluster.
E467 (= E443) binding Mg(2+)

5oynA Crystal structure of d-xylonate dehydratase in holo-form (see paper)
40% identity, 97% coverage: 6:557/569 of query aligns to 8:575/589 of 5oynA

query
sites
5oynA

R

R

N

S

R

R

A

D

W

W

Y

F

G

D

K

N

-

P

-

D

-

H

L

I

D

D

K

M

D

T

G

A

F

L

I

Y

H

L

R

E

S

R

W

F

M

M

K

N

N

Y

Q

G

G

I

F

T

P

P

D

E

H

E

V

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

E

D

L

I

T

S

P

P

C
|
C

N

N

H

R

G

I

L

H

R

L

T

D

L

L

A

V

E

Q

G

R

V

V

K

R

R

D

G

G

V

I

W

R

E

D

A

A

G

G

G

G

F

I

P

P

V

M

E

E

F

F

P

P

V

V

M

H

S

P

L

I

G

F

E
|
E

T
x
N

Q

C

M

R

K

R

P

P

T

T

A

A

M

A

L

L

F

D

R

R

N

N

L

L

L

S

A

Y

M

L

D

G

V

L

E

V

E

E

S

T

I

L

R

H

A

G

Y

Y

G

P

M

I

D

D

G

A

V

V

V

V

L

L

L

T

G

T

G

G

C
|
C

D
|
D

K
|
K

T

T

T

T

P

P

G

A

Q

G

L

I

M

M

G

A

A

A

A

T

S

T

V

V

D

N

L

I

P

P

S

A

I

I

V

V

V

L

S

S

A

G

G

G

P

P

M

M

L

L

N

D

G

G

K

W

Y

H

R

E

G

N

Q

E

D

L

I

V

G

G

S

S

G

G

T

T

D

V

V

I

W

W

K

R

F

S

S

R

E

R

A

K

V

L

R

A

A

A

G

G

E

E

M

I

T

T

L

E

A

E

D

E

F

F

M

I

N

D

A

R

E

A

A

A

G

S

M

S

S

A

R

P

S

S

A

A

G

G

V

H

C
|
C

M

N

T

T

M

M

G

G

T

T

A

A

S

S

T

T

M

M

A

N

S

A

L

V

V

A

E

E

A

A

M

L

G

G

M

L

S

S

L

L

P

T

L

G

N

C

A

A

A

A

L

I

P

P

A

A

V

P

D

Y

A

R

R

E

R

R

M

G

A

Q

L

M

A

A

H

Y

L

K

T

T

G

G

K

Q

R

R

I

I

V

V

E

D

M

L

V

A

E

Y

E

D

D

D

L

V

R

K

P

P

S

L

A

D

I

I

L

L

T

T

K

K

P

Q

A

A

F

F

E

E

N

N

A

A

I

I

L

A

A

L

N

V

A

A

A

A

V

A

G

G

G

G

S

S

T

T

N

N

A

A

V

Q

M

P

H

H

L

I

L

V

A

A

L

M

A

A

G

R

R

H

A

A

G

G

V

V

D

E

L

I

T

T

L

A

K

D

D

D

F

W

E

R

I

A

G

A

G

Y

E

D

I

I

P

P

L

L

L

I

V

V

N

N

C

M

M

Q

P

P

S

A

G

G

K

K

Y

Y

L

L

M

G

E

E

D

R

F

F

A

H

Y

R

A

A

G

G

G

G

M

A

P

P

V

A

V

V

L

L

S

W

E

E

L

L

R

L

D

Q

H

Q

L

G

R

R

-

L

-

H

-

G

P

D

A

V

T

L

T

T

V

V

L

T

G

G

K

K

D

T

I

M

A

S

A

E

Y

N

T

L

E

Q

G

G

A

R

E

E

C

T

F

S

N

D

R

R

D

E

V

V

I

I

H

F

A

P

Y

Y

D

H

A

E

P

P

V

L

K

A

P

E

A

K

A

A

G

G

L

F

R

L

V

V

L

L

R

K

G

G

S

N

L

L

A

F

P

-

D

D

G

F

A

A

I

I

V

M

K

K

P

S

S

S

A

V

A

I

T

G

D

E

A

E

L

F

L

R

E

K

H

R

-

Y

-

L

-

S

-

Q

-

P

-

G

-

Q

-

E

-

G

-

V

-

F

E

E

G

A

P

R

A

A

F

I

V

V

F

F

E

D

N

G

I

S

E

D

D

D

M

Y

K

H

A

K

N

R

I

I

D

N

R

D

D

P

D

A

L

L

P

E

I

I

T

D

P

E

D

R

T

C

I

I

L

L

V

V

L

I

K

R

G

G

C

A

G

G

P

P

K

I

G

G

Y

W

P

P

G

G

M

S

P

A

E
|
E

V

V

G

V

N

N

M

M

P

Q

I

P

P

P

A

D

K

H

L

L

V

L

R

K

E

K

G

G

V

I

R

M

D

S

M

L

I

P

R

T

V

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

I

I

L

L

H

N

V

A

A

S

P

P

E

E

A

S

Q

A

A

I

G

G

G

G

P

G

L

L

A

S

L

W

V

L

K

R

T

T

G

G

D

D

R

T

I

I

R

R

V

I

S

D

A

L

R

N

E

T

G

G

V

R

L

C

D

D

L

A

L

L

V

V

D

D

A

E

T

A

E

T

L

I

A

A

A

A

R

R

R

K

A

Q

A

D

W

G

Q

I

P

P

D

A

P

V

P

P

H

A

Y

T

T

M

R

T

G

P

Y

W

A

Q

K

E

L

I

Y

Y

I

R

D

A

H

H

V

A

L

S

Q

Q

A

L

D

D

R

T

G

G

A

G

D

V

L

L

D

E

F

F

L

A

V

V

binding fe2/s2 (inorganic) cluster: C58 (= C53), N91 (≠ T86), C126 (= C121), D127 (= D122), C199 (= C194)
binding magnesium ion: E90 (= E85), D127 (= D122), K128 (= K123), E461 (= E443)

P9WKJ5 Dihydroxy-acid dehydratase; DAD; EC 4.2.1.9 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
41% identity, 93% coverage: 22:551/569 of query aligns to 34:572/575 of P9WKJ5

query
sites
P9WKJ5

R

R

S

G

W

M

M

L

K

R

N

A

Q

V

G

G

F

M

P

D

D

D

H

E

V

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

E

E

L

I

T

T

P

P

C
|
C

N

N

H

L

G

S

L

L

R

D

T

R

L

L

A

A

E

N

G

A

V

V

K

K

R

E

G

G

V

V

W

F

E

S

A

A

G

G

G

G

F

Y

P

P

V

L

E

E

F

F

P

G

V

T

M

I

S

S

L

V

G

S

E
x
D

-

G

T

I

Q

S

M

M

K

G

P

H

T

E

A

G

M

M

L

H

F

F

-

S

-

L

-

V

-

S

R

R

N

E

L

V

L

I

A

A

M

D

D

S

V

V

E

E

E

V

S

V

I

M

R

Q

A

A

Y

E

G

R

M

L

D

D

G

G

V

S

V

V

L

L

L

L

G

A

G

G

C
|
C

D
|
D

K
|
K

T

S

T

L

P

P

G

G

Q

M

L

L

M

M

G

A

A

A

A

A

S

R

V

L

D

D

L

L

P

A

S

A

I

V

V

F

V

L

S

Y

A

A

G

G

P

S

M

I

L

L

N

P

G

G

K

R

Y

A

R

K

G

L

Q

S

D

D

I

-