SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing AO356_24585 FitnessBrowser__pseudo5_N2C3_1:AO356_24585 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)

Q1JUQ1 L-arabonate dehydratase; L-arabinonate dehydratase; EC 4.2.1.25 from Azospirillum brasilense (see paper)
80% identity, 100% coverage: 1:578/578 of query aligns to 1:583/583 of Q1JUQ1

query
sites
Q1JUQ1

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C47 (= C47) mutation to A: 2-fold reduction in activity and still binds a 4Fe-4S cluster.
C56 (= C56) mutation to A: Loss of activity but seems to be able to bind a Fe-S cluster.
C124 (= C124) binding [4Fe-4S] cluster; mutation to A: Loss of activity and no 4Fe-4S cluster binding.
C197 (= C197) binding [4Fe-4S] cluster; mutation to A: Loss of activity and no 4Fe-4S cluster binding.
C441 (= C442) mutation to A: Increase in activity and still binds a 4Fe-4S cluster.

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)
65% identity, 99% coverage: 8:578/578 of query aligns to 11:579/579 of B5ZZ34

query
sites
B5ZZ34

L

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C59 (= C56) binding [2Fe-2S] cluster; mutation to S: Loss of activity. Does not bind iron-sulfur cluster.
E91 (= E88) binding Mg(2+)
C127 (= C124) binding [2Fe-2S] cluster; mutation to S: Loss of activity. Does not bind iron-sulfur cluster.
D128 (= D125) binding Mg(2+)
C200 (= C197) binding [2Fe-2S] cluster; mutation to S: Almost loss of activity. Does not bind iron-sulfur cluster.
C436 (≠ S435) mutation to S: No change in activity. Does not affect binding of iron-sulfur cluster.
C443 (= C442) mutation to S: Slight decrease in activity. Does not affect binding of iron-sulfur cluster.
E453 (= E452) binding Mg(2+)
S480 (= S479) mutation to A: Loss of activity.

8epzA Crystal structure of fe-s cluster-dependent dehydratase from paralcaligenes ureilyticus in complex with mn
65% identity, 99% coverage: 6:578/578 of query aligns to 1:569/569 of 8epzA

query
sites
8epzA

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S

A

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A

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W

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C

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F

F

P

P

V

L

E

E

F

F

P

P

V

V

F

M

S

S

N

L

G

G

E
|
E

S

T

N

M

L

L

R

R

P

P

T

T

A

A

M

M

L

L

T

F

R

R

N

N

L

L

A

A

S

S

M

M

D

D

V

V

E

E

E

E

A

S

I

I

R

R

G

G

N

N

P

P

I

L

D

D

G

G

V

V

V

V

L

L

L

L

T

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

A

A

S

S

C

C

D

D

V

L

P

P

A

T

I

I

V

G

V

V

T

S

G

G

G

G

P

P

M

M

L

L

N

S

G

G

K

K

H

F

K

R

G

G

Q

R

D

E

I

L

G

G

S

S

G

G

T

T

V

D

V

V

W

W

Q

K

L

M

S

S

E

E

Q

E

V

V

K

R

A

A

G

G

T

Q

I

M

T

S

I

Q

D

E

D

E

F

F

L

F

A

E

A

A

E

E

G

S

G

C

M

M

S

H

R

R

S

S

A

H

G

G

T

H

C
|
C

N

M

T

T

M

M

G

G

T

T

A

A

S

S

T

T

M

M

A

A

C

S

M

M

A

V

E

E

A

A

L

L

G

G

T

M

S

S

L

L

P

P

H

G

N

N

A

A

A

A

I

I

P

P

A

A

V

V

D

D

A

A

R

R

R

R

Y

N

V

L

L

L

A

A

H

R

M

A

S

S

G

G

M

R

R

R

A

I

V

V

E

Q

M

M

V

V

R

K

E

D

D

D

L

L

K

V

L

M

S

S

K

K

I

I

L

L

T

T

K

R

E

Q

A

A

F

F

E

E

N

N

A

A

I

I

R

R

V

V

N

N

A

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

K

L

A

A

I

I

A

A

G

G

R

R

I

I

G

G

V

V

Q

D

L

L

D

T

L

L

D

A

D

D

W

W

T

D

R

A

I

L

G

G

R

H

G

K

M

L

P

P

T

C

I

L

V

V

D

D

L

L

Q

Q

P

P

S

S

G

G

R

T

F

H

L

L

M

M

E

E

E

D

F

F

Y

Y

Y

Y

A

A

G

G

G

G

L

V

P

P

A

A

V

V

L

I

R

R

R

E

L

L

G

G

E

D

A

-

N

-

L

-

I

V

P

I

N

A

P

R

N

D

A

A

L

L

T

T

V

V

N

N

G

G

K

Q

S

T

L

L

G

W

E

D

N

N

T

C

K

K

D

D

A

A

P

P

I

N

Y

W

G

N

Q

R

D

-

E

E

V

V

I

I

R

H

T

A

L

F

D

N

N

E

P

P

I

F

R

K

A

T

D

E

G

A

G

G

I

I

C

A

V

V

L

L

R

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

T

T

A

P

E

A

L

L

M

L

Q

K

H

H

R

K

G

G

R

R

A

A

V

V

V

V

F

F

E

E

N

N

F

S

D

E

E

H

Y

M

K

H

A

E

R

R

I

M

N

D

D

D

P

E

E

N

L

L

D

D

V

V

D

D

A

E

N

N

S

C

I

V

L

L

V

V

M

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

A

P

K

K

L

I

L

L

A

R

Q

K

G

G

V

I

T

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

V

V

A

A

P

P

E

E

A

A

A

A

A

A

G

G

G

G

P

P

L

L

A

A

A

L

V

V

K

Q

E

D

G

G

D

D

W

I

I

I

E

E

L

L

D

D

C

V

A

A

S

A

G

R

R

K

L

L

H

H

L

L

D

H

I

V

P

S

D

D

A

E

E

E

L

L

A

A

A

R

R

R

L

R

A

E

D

A

L

W

A

Q

P

A

P

P

Q

P

Q

A

L

P

L

M

V

A

G

R

G

G

Y

W

R

V

Q

K

L

L

Y

Y

I

V

D

E

H

H

V

V

L

Q

Q

Q

A

A

D

N

Q

L

G

G

C

A

D

D

F

L

D

D

F

F

L

L

V

R

G

G

C

K

R

S

G

G

A

A

E

G

V

I

P

P

R

K

H

D

S

N

H

H

binding fe2/s2 (inorganic) cluster: C51 (= C56), C119 (= C124), D120 (= D125), C192 (= C197)
binding manganese (ii) ion: E83 (= E88), D120 (= D125), K121 (= K126), E443 (= E452)

5j85A Ser480ala mutant of l-arabinonate dehydratase (see paper)
64% identity, 99% coverage: 8:578/578 of query aligns to 8:576/576 of 5j85A

query
sites
5j85A

L

L

R

R

S

S

A

Q

Q

E

W

W

F

Y

G

G

T

G

A

T

D

S

K

R

N

D

G

V

F

I

M

Y

Y

H

R

R

S

G

W

W

M

L

K

K

N

N

Q

Q

G

G

I

Y

A

P

D

H

H

D

Q

L

F

F

H

D

G

G

K

R

P

P

I

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

A

G

H

H

F

L

R

R

Q

E

I

L

A

A

E

E

H

K

V

V

K

K

R

A

G

G

V

V

I

W

E

E

A

A

G

G

G

G

F

F

P

P

V

L

E

E

F

V

P

P

V

V

F

F

S

S

N

A

G

S

E
|
E

S
x
N

N

T

L

F

R

R

P

P

T

T

A

A

M

M

L

M

T

Y

R

R

N

N

L

L

A

A

S

A

M

L

D

A

V

V

E

E

E

E

A

A

I

I

R

R

G

G

N

Q

P

P

I

M

D

D

G

G

V

C

V

V

L

L

L

L

T

V

G

G

C
|
C

D
|
D

K
|
K

T

T

T

T

P

P

A

S

L

L

L

L

M

M

G

G

A

A

A

A

S

S

C

C

D

D

V

L

P

P

A

S

I

I

V

V

V

V

T

T

G

G

G

G

P

P

M

M

L

L

N

N

G

G

K

Y

H

F

K

R

G

G

Q

E

D

R

I

V

G

G

S

S

G

G

T

T

V

H

V

L

W

W

Q

K

L

F

S

S

E

E

Q

M

V

V

K

K

A

A

G

G

T

E

I

M

T

T

I

Q

D

A

D

E

F

F

L

L

A

E

A

A

E

E

G

A

G

S

M

M

S

S

R

R

S

S

A

S

G

G

T
|
T

C
|
C

N

N

T

T

M

M

G

G

T
|
T

A

A

S

S

T

T

M

M

A

A

C

S

M

M

A

A

E

E

A

A

L

L

G

G

T

M

S

A

L

L

P

S

H

G

N

N

A

A

A

A

I

I

P

P

A

G

V

V

D

D

A

S

R

R

R

R

Y

K

V

V

L

M

A

A

H

Q

M

L

S

T

G

G

M

R

R

R

A

I

V

V

E

Q

M

M

V

V

R

K

E

D

D

D

L

L

K

K

L

P

S

S

K

E

I

I

L

M

T

T

K

K

E

Q

A

A

F

F

E

E

N

N

A

A

I

I

R

R

V

T

N

N

A

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

K

L

A

A

I

I

A

A

G

G

R

R

I

V

G

G

V

I

Q

D

L

L

D

S

L

L

D

D

D

D

W

W

T

D

R

R

I

C

G

G

R

R

G

D

M

V

P

P

T

T

I

I

V

V

D

N

L

L

Q

M

P

P

S

S

G

G

R

K

F

Y

L

L

M

M

E

E

E

E

F

F

Y

F

Y

Y

A

A

G

G

G

G

L

L

P

P

A

V

V

V

L

L

R

K

R

R

L

L

G

G

E

E

A

A

N

G

L

L

I

L

P

-

N

H

P

K

N

D

A

A

L

L

T

T

V

V

N

S

G

G

K

E

S

T

L

V

G

W

E

D

N

E

T

V

K

K

D

D

A

V

P

V

I

N

Y

W

G

N

Q

E

D

D

E

-

V

V

I

I

R

L

T

P

L

A

D

E

N

K

P

A

I

L

R

T

A

S

D

S

G

G

G

G

I

I

C

V

V

V

L

L

R

R

G

G

N

N

L

L

A

A

P

P

L

K

G

G

A

A

V

V

L

L

K

K

P

P

S

S

A

A

A

A

T

S

A

P

E

H

L

L

M

L

Q

V

H

H

R

K

G

G

R

R

A

A

V

V

V

V

F

F

E

E

N

D

F

I

D

D

E

D

Y

Y

K

K

A

A

R

K

I

I

N

N

D

D

P

D

E

N

L

L

D

D

V

I

D

D

A

E

N

N

S

C

I

I

L

M

V

V

M

M

K

K

N

N

C

C

G

G

P

P

K

K

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

A

P

K

K

L

V

L

L

A

K

Q

K

G

G

V

I

T

L

D

D

M

M

V

V

R

R

I

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

V

V

L

L

H

H

V

T

A

S

P

P

E

E

A

A

A

A

A

V

G

G

G

G

P

P

L

L

A

A

A

V

V

V

K

K

E

N

G

G

D

D

W

M

I

I

E

E

L

L

D

D

C

V

A

P

S

N

G

R

R

R

L

L

H

H

L

L

D

D

I

I

P

S

D

D

A

E

E

E

L

L

A

A

A

R

R

R

L

L

A

A

D

E

L

W

A

Q

P

P

P

N

Q

H

Q

D

L

L

L

P

V

T

G

S

G

G

Y

Y

R

A

Q

F

L

L

Y

H

I

Q

D

Q

H

H

V

V

L

E

Q

G

A

A

D

D

Q

T

G

G

C

A

D

D

F

L

D

D

F

F

L

L

V

K

G

G

C

C

R

R

G

G

A

N

E

A

V

V

P

G

R

K

H

D

S

S

H

H

binding fe2/s2 (inorganic) cluster: C56 (= C56), N89 (≠ S89), C124 (= C124), D125 (= D125), T196 (= T196), C197 (= C197)
binding magnesium ion: E88 (= E88), D125 (= D125), K126 (= K126), T202 (= T202), E450 (= E452)

8ej0A Crystal structure of fe-s cluster-dependent dehydratase from paralcaligenes ureilyticus in complex with mg
65% identity, 99% coverage: 9:578/578 of query aligns to 3:568/568 of 8ej0A

query
sites
8ej0A

R

R

S

S

A

Q

Q

A

W

W

F

F

G

G

T

R

A

L

D

D

K

R

N

D

G

G

F

F

M

I

Y

Y

R

R

S

S

W

W

M

M

K

K

N

N

Q

R

G

G

I

I

A

P

D

H

H

D

Q

Q

F

F

H

D

G

G

K

R

P

P

I

V

I

I

G

G

I

I

C

C

N

N

T

T

W

F

S

S

E

E

L

L

T

T

P

P

C
|
C

N

N

A

S

H

H

F

F

R

R

Q

T

I

L

A

A

E

E

H

Q

V

V

K

K

R

I

G

G

V

V

I

W

E

E

A

S

G

G

G

G

F

F

P

P

V

L

E

E

F

F

P

P

V

V

F

M

S

S

N

L

G

G

E
|
E

S

T

N

M

L

L

R

R

P

P

T

T

A

A

M

M

L

L

T

F

R

R

N

N

L

L

A

A

S

S

M

M

D

D

V

V

E

E

E

E

A

S

I

I

R

R

G

G

N

N

P

P

I

L

D

D

G

G

V

V

V

V

L

L

L

L

T

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

A

A

S

S

C

C

D

D

V

L

P

P

A

T

I

I

V

G

V

V

T

S

G

G

G

G

P

P

M

M

L

L

N

S

G

G

K

K

H

F

K

R

G

G

Q

R

D

E

I

L

G

G

S

S

G

G

T

T

V

D

V

V

W
|
W

Q

K

L

M

S

S

E

E

Q

E

V

V

K

R

A

A

G

G

T

Q

I

M

T

S

I

Q

D

E

D

E

F

F

L

F

A

E

A

A

E

E

G

S

G

C

M

M

S

H

R

R

S

S

A

H

G

G

T

H

C
|
C

N

M

T

T

M

M

G

G

T
|
T

A

A

S

S

T

T

M

M

A

A

C

S

M

M

A

V

E

E

A

A

L

L

G

G

T

M

S

S

L

L

P

P

H

G

N

N

A

A

A

A

I

I

P

P

A

A

V

V

D

D

A

A

R

R

R

R

Y

N

V

L

L

L

A

A

H

R

M

A

S

S

G

G

M

R

R

R

A

I

V

V

E

Q

M

M

V

V

R

K

E

D

D

D

L

L

K

V

L

M

S

S

K

K

I

I

L

L

T

T

K

R

E

Q

A

A

F

F

E

E

N

N

A

A

I

I

R

R

V

V

N

N

A

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

K

L

A

A

I

I

A

A

G

G

R

R

I

I

G

G

V

V

Q

D

L

L

D

T

L

L

D

A

D

D

W

W

T

D

R

A

I

L

G

G

R

H

G

K

M

L

P

P

T

C

I

L

V

V

D

D

L

L

Q

Q

P

P

S

S

G

G

R

T

F

H

L

L

M

M

E

E

E

D

F

F

Y

Y

Y

Y

A

A

G

G

G

G

L

V

P

P

A

A

V

V

L

I

R

R

R

E

L

L

G

G

E

D

A

-

N

-

L

-

I

V

P

I

N

A

P

R

N

D

A

A

L

L

T

T

V

V

N

N

G

G

K

Q

S

T

L

L

G

W

E

D

N

N

T

C

K

K

D

D

A

A

P

P

I

N

Y

W

G

N

Q

R

D

-

E

E

V

V

I

I

R

H

T

A

L

F

D

N

N

E

P

P

I

F

R

K

A

T

D

E

G

A

G

G

I

I

C

A

V

V

L

L

R

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

T

T

A

P

E

A

L

L

M

L

Q

K

H

H

R

K

G

G

R

R

A

A

V

V

V

V

F

F

E

E

N

N

F

S

D

E

E

H

Y

M

K

H

A

E

R

R

I

M

N

D

D

D

P

E

E

N

L

L

D

D

V

V

D

D

A

E

N

N

S

C

I

V

L

L

V

V

M

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

A

P

K

K

L

I

L

L

A

R

Q

K

G

G

V

I

T

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

V

V

A

A

P

P

E

E

A

A

A

A

A

A

G

G

G

G

P

P

L

L

A

A

A

L

V

V

K

Q

E

D

G

G

D

D

W

I

I

I

E

E

L

L

D

D

C

V

A

A

S

A

G

R

R

K

L

L

H

H

L

L

D

H

I

V

P

S

D

D

A

E

E

E

L

L

A

A

A

R

R

R

L

R

A

E

D

A

L

W

A

Q

P

A

P

P

Q

P

Q

A

L

P

L

M

V

A

G

R

G

G

Y

W

R

V

Q

K

L

L

Y

Y

I

V

D

E

H

H

V

V

L

Q

Q

Q

A

A

D

N

Q

L

G

G

C

A

D

D

F

L

D

D

F

F

L

L

V

R

G

G

C

K

R

S

G

G

A

A

E

G

V

I

P

P

R

K

H

D

S

N

H

H

binding bicarbonate ion: D119 (= D125), W161 (= W167), T196 (= T202), E442 (= E452), S469 (= S479), S469 (= S479), G470 (= G480)
binding fe2/s2 (inorganic) cluster: C50 (= C56), E82 (= E88), C118 (= C124), D119 (= D125), C191 (= C197)
binding magnesium ion: E82 (= E88), D119 (= D125), K120 (= K126), E442 (= E452)

7m3kA Crystal structure of galactonate dehydratase from brucella melitensis biovar abortus 2308
47% identity, 93% coverage: 7:546/578 of query aligns to 1:546/587 of 7m3kA

query
sites
7m3kA

S

K

L

L

R

R

S

S

A

R

Q

A

W

W

F

F

G

D

T

N

A

P

D

D

K

D

N

V

G

D

F

M

-

T

-

A

M

L

Y

Y

R

L

S

E

W

R

M

Y

K

M

N

N

Q

Y

G

G

I

L

A

S

D

Q

H

E

Q

E

F

L

H

Q

-

S

G

G

K

R

P

P

I

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

A

R

H

H

F

H

R

L

Q

E

I

L

A

A

E

K

H

R

V

V

K

R

R

D

G

G

V

V

I

R

E

E

A

A

G

G

G

G

F

I

P

V

V

I

E

E

F

F

P

P

V

V

F

H

S

P

N

I

G

Q

E

E

S

T

N

G

L

K

R

R

P

P

T

T

A

A

M

G

L

L

T

D

R

R

N

N

L

L

A

A

S

Y

M

L

D

G

V

L

E

V

E

E

A

V

I

L

R

Y

G

G

N

Y

P

P

I

L

D

D

G

G

V

V

V

V

L

L

L

T

T

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

A

A

S

T

C

V

D

N

V

I

P

P

A

A

I

I

V

A

V

L

T

S

G

V

G

G

P

P

M

M

L

L

N

N

G

G

K

W

H

F

K

R

G

G

Q

E

D

R

I

T

G

G

S

S

G

G

T

T

V

I

V

V

W

W

Q

K

L

A

S

R

E

E

Q

L

V

L

K

A

A

K

G

G

T

E

I

I

T

D

I

Y

D

Q

D

G

F

F

L

V

A

K

A

L

E

V

G

A

G

S

M

S

S

A

R

P

S

S

A

T

G

G

T

Y

C

C

N

N

T

T

M

M

G

G

T

T

A

A

S

T

T

T

M

M

A

N

C

S

M

L

A

A

E

E

A

A

L

L

G

G

T

M

S

Q

L

L

P

P

H

G

N

S

A

A

A

A

I

I

P

P

A

A

V

P

D

Y

A

R

R

D

R

R

Y

Q

V

E

L

V

A

A

H

Y

M

L

S

M

G

G

M

R

R

R

A

I

V

V

E

E

M

M

V

V

R

H

E

E

D

D

L

L

K

K

L

P

S

S

K

D

I

I

L

L

T

T

K

K

E

E

A

A

F

F

E

I

N

N

A

A

I

I

R

R

V

V

N

N

A

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

K

N

A

A

I

L

A

A

G

R

R

H

I

I

G

G

V

V

Q

E

L

L

D

T

L

V

D

D

D

D

W

W

T

Q

R

K

I

Y

G

G

R

E

G

E

M

I

P

P

T

L

I

L

V

V

D

N

L

L

Q

Q

P

P

S

A

G

G

R

E

F

Y

L

L

M

G

E

E

E

D

F

Y

Y

Y

Y

H

A

A

G

G

G

G

L

V

P

P

A

A

V

V

L

V

R

N

R

Q

L

L

G

M

E

G

A

Q

N

G

L

L

I

I

P

-

N

H

P

E

N

D

A

A

L

I

T

T

V

V

N

N

G

G

K

K

S

T

L

I

G

G

E

E

N

N

T

C

K

K

D

N

A

A

P

T

I

I

Y

E

G

-

Q

D

D

G

E

N

V

V

I

I

R

K

T

T

L

Y

D

D

N

Q

P

P

I

L

R

K

A

K

D

H

G

A

G

G

I

F

C

R

V

V

L

L

R

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

T

S

A

D

E

E

L

F

M

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

N

G

F

P

D

E

E

D

Y

Y

K

H

A

H

R

R

I

I

N

D

D

D

P

P

E

A

L

L

D

E

V

I

D

D

A

E

N

H

S

T

I

V

L

L

V

F

M

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

A

D

K

Y

L

L

L

L

A

K

Q

K

G

G

V

I

T

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

V

A

A

S

P

P

E

E

A

A

A

A

A

A

G

G

G

G

P

G

L

L

A

A

A

I

V

L

K

K

E

T

G

G

D

D

W

R

I

V

E

R

L

I

D

D

C

L

A

G

S

R

G

G

R

T

L

A

H

D

L

I

D

L

I

I

P

S

D

D

A

E

E

E

L

L

A

A

A

E

R

R

L

R

A

K

D

A

L

L

A

E

P

A

P

-

Q

-

Q

-

L

-

L

-

V

V

G

G

G

G

Y

Y

R

K

binding zinc ion: C53 (= C56), C121 (= C124)

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, 100% coverage: 1:578/578 of query aligns to 5:595/595 of Q9A9Z2

query
sites
Q9A9Z2

M

L

S

S

D

N

K

R

K

T

P

P

S

R

-

R

L

F

R

R

S

S

A

R

Q

D

W

W

F

F

G

D

T

N

A

P

D

D

K

H

N

I

G

D

F

M

-

T

-

A

M

L

Y

Y

R

L

S

E

W

R

M

F

K

M

N

N

Q

Y

G

G

I

I

A

T

D

P

H

E

Q

E

F

L

H

R

-

S

G

G

K

K

P

P

I

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

A

R

H

I

F

H

R

L

Q

D

I

L

A

V

E

Q

H

R

V

V

K

R

R

D

G

G

V

I

I

R

E

D

A

A

G

G

G

G

F

I

P

P

V

M

E

E

F

F

P

P

V

V

F

H

S

P

N

I

G

F

E
|
E

S

N

N

C

L

R

R

R

P

P

T

T

A

A

M

A

L

L

T

D

R

R

N

N

L

L

A

S

S

Y

M

L

D

G

V

L

E

V

E

E

A

T

I

L

R

H

G

G

N

Y

P

P

I

I

D

D

G

A

V

V

V

V

L

L

L

T

T

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

A

T

S

T

C

V

D

N

V

I

P

P

A

A

I

I

V

V

V

L

T

S

G

G

G

G

P

P

M

M

L

L

N

D

G

G

K

W

H

H

K

E

G

N

Q

E

D

L

I

V

G

G

S

S

G

G

T

T

V

V

V

I

W

W

Q

R

L

S

S

R

E

R

Q

K

V

L

K

A

A

A

G

G

T

E

I

I

T

T

I

E

D

E

D

E

F

F

L

I

A

D

A

R

E

A

G

A

G

S

M

S

S

A

R

P

S

S

A

A

G

G

T

H

C
|
C

N

N

T

T

M

M

G

G

T

T

A

A

S

S

T

T

M

M

A

N

C

A

M

V

A

A

E

E

A

A

L

L

G

G

T

L

S

S

L

L

P

T

H

G

N

C

A

A

A

A

I

I

P

P

A

A

V

P

D

Y

A

R

R

E

R

R

Y

G

V

Q

L

M

A

A

H

Y

M

K

S

T

G

G

M

Q

R

R

A

I

V

V

E

D

M

L

V

A

R

Y

E

D

D

D

L

V

K

K

L

P

S

L

K

D

I

I

L

L

T

T

K

K

E

Q

A

A

F

F

E

E

N

N

A

A

I

I

R

A

V

L

N

V

A

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

K

V

A

A

I

M

A

A

G

R

R

H

I

A

G

G

V

V

Q

E

L

I

D

T

L

A

D

D

D

D

W

W

T

-

R

R

I

A

G

A

R

Y

G

D

M

I

P

P

T

L

I

I

V

V

D

N

L

M

Q

Q

P

P

S

A

G

G

R

K

F

Y

L

L

M

G

E

E

E

R

F

F

Y

H

Y

R

A

A

G

G

G

G

L

A

P

P

A

A

V

V

L

L

R

W

R

E

L

L

G

L

E

Q

A

Q

N

G

L

R

I

L

P

-

N

H

P

G

N

D

A

V

L

L

T

T

V

V

N

T

G

G

K

K

S

T

L

M

G

S

E

E

N

N

T

L

K

Q

D

G

A

R

P

E

I

T

Y

S

G

D

Q

R

D

-

E

E

V

V

I

I

R

F

T

P

L

Y

D

H

N

E

P

P

I

L

R

A

A

E

D

K

G

A

G

G

I

F

C

L

V

V

L

L

R

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

T

G

A

E

E

E

L

F

M

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

N

G

F

S

D

D

E

D

Y

Y

K

H

A

K

R

R

I

I

N

N

D

D

P

P

E

A

L

L

D

E

V

I

D

D

A

E

N

R

S
x
C

I

I

L

L

V

V

M

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

A

D

K

H

L

L

L

L

A

K

Q

K

G

G

V

I

T

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

V

A

A

S

P

P

E

E

A

S

A

A

A

I

G

G

G

G

P

G

L

L

A

S

A

W

V

L

K

R

E

T

G

G

D

D

W

T

I

I

E

R

L

I

D

D

C

L

A

N

S

T

G

G

R

R

L

C

H

D

L

A

D

L

I

V

P

D

D

E

A

A

E

T

L

I

A

A

A

A

R

R

L

K

A

Q

D

D

L

G

A

I

P

P

P

A

Q

V

Q

P

L

A

L

T

V

M

G

T

G

P

Y

W

R

Q

Q

E

L

I

Y

Y

I

R

D

A

H

H

V

A

L

S

Q

Q

A

L

D

D

Q

T

G

G

C

G

D

V

F

L

D

E

F

F

L

A

V

V

G

K

C

Y

R

Q

-

D

-

L

G

A

A

A

E

K

V

L

P

P

R

R

H

H

S

N

H

H

C64 (= C56) binding [2Fe-2S] cluster; mutation to S: Strong decrease in activity. Does not bind iron-sulfur cluster.
E96 (= E88) binding Mg(2+)
C132 (= C124) binding [2Fe-2S] cluster; mutation to S: Almost loss of activity. Does not bind iron-sulfur cluster.
D133 (= D125) binding Mg(2+)
C205 (= C197) binding [2Fe-2S] cluster; mutation to S: Strong decrease in activity. Does not bind iron-sulfur cluster.
C450 (≠ S435) mutation to S: Slight decrease in activity. Does not affect binding of iron-sulfur cluster.
E467 (= E452) binding Mg(2+)

5oynA Crystal structure of d-xylonate dehydratase in holo-form (see paper)
42% identity, 99% coverage: 8:578/578 of query aligns to 7:589/589 of 5oynA

query
sites
5oynA

L

F

R

R

S

S

A

R

Q

D

W

W

F

F

G

D

T

N

A

P

D

D

K

H

N

I

G

D

F

M

-

T

-

A

M

L

Y

Y

R

L

S

E

W

R

M

F

K

M

N

N

Q

Y

G

G

I

I

A

T

D

P

H

E

Q

E

F

L

H

R

-

S

G

G

K

K

P

P

I

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

A

R

H

I

F

H

R

L

Q

D

I

L

A

V

E

Q

H

R

V

V

K

R

R

D

G

G

V

I

I

R

E

D

A

A

G

G

G

G

F

I

P

P

V

M

E

E

F

F

P

P

V

V

F

H

S

P

N

I

G

F

E
|
E

S
x
N

N

C

L

R

R

R

P

P

T

T

A

A

M

A

L

L

T

D

R

R

N

N

L

L

A

S

S

Y

M

L

D

G

V

L

E

V

E

E

A

T

I

L

R

H

G

G

N

Y

P

P

I

I

D

D

G

A

V

V

V

V

L

L

L

T

T

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

A

T

S

T

C

V

D

N

V

I

P

P

A

A

I

I

V

V

V

L

T

S

G

G

G

G

P

P

M

M

L

L

N

D

G

G

K

W

H

H

K

E

G

N

Q

E

D

L

I

V

G

G

S

S

G

G

T

T

V

V

V

I

W

W

Q

R

L

S

S

R

E

R

Q

K

V

L

K

A

A

A

G

G

T

E

I

I

T

T

I

E

D

E

D

E

F

F

L

I

A

D

A

R

E

A

G

A

G

S

M

S

S

A

R

P

S

S

A

A

G

G

T

H

C
|
C

N

N

T

T

M

M

G

G

T

T

A

A

S

S

T

T

M

M

A

N

C

A

M

V

A

A

E

E

A

A

L

L

G

G

T

L

S

S

L

L

P

T

H

G

N

C

A

A

A

A

I

I

P

P

A

A

V

P

D

Y

A

R

R

E

R

R

Y

G

V

Q

L

M

A

A

H

Y

M

K

S

T

G

G

M

Q

R

R

A

I

V

V

E

D

M

L

V

A

R

Y

E

D

D

D

L

V

K

K

L

P

S

L

K

D

I

I

L

L

T

T

K

K

E

Q

A

A

F

F

E

E

N

N

A

A

I

I

R

A

V

L

N

V

A

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

K

V

A

A

I

M

A

A

G

R

R

H

I

A

G

G

V

V

Q

E

L

I

D

T

L

A

D

D

D

D

W

W

T

-

R

R

I

A

G

A

R

Y

G

D

M

I

P

P

T

L

I

I

V

V

D

N

L

M

Q

Q

P

P

S

A

G

G

R

K

F

Y

L

L

M

G

E

E

E

R

F

F

Y

H

Y

R

A

A

G

G

G

G

L

A

P

P

A

A

V

V

L

L

R

W

R

E

L

L

G

L

E

Q

A

Q

N

G

L

R

I

L

P

-

N

H

P

G

N

D

A

V

L

L

T

T

V

V

N

T

G

G

K

K

S

T

L

M

G

S

E

E

N

N

T

L

K

Q

D

G

A

R

P

E

I

T

Y

S

G

D

Q

R

D

-

E

E

V

V

I

I

R

F

T

P

L

Y

D

H

N

E

P

P

I

L

R

A

A

E

D

K

G

A

G

G

I

F

C

L

V

V

L

L

R

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

T

G

A

E

E

E

L

F

M

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

N

G

F

S

D

D

E

D

Y

Y

K

H

A

K

R

R

I

I

N

N

D

D

P

P

E

A

L

L

D

E

V

I

D

D

A

E

N

R

S

C

I

I

L

L

V

V

M

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

A

D

K

H

L

L

L

L

A

K

Q

K

G

G

V

I

T

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

V

A

A

S

P

P

E

E

A

S

A

A

A

I

G

G

G

G

P

G

L

L

A

S

A

W

V

L

K

R

E

T

G

G

D

D

W

T

I

I

E

R

L

I

D

D

C

L

A

N

S

T

G

G

R

R

L

C

H

D

L

A

D

L

I

V

P

D

D

E

A

A

E

T

L

I

A

A

A

A

R

R

L

K

A

Q

D

D

L

G

A

I

P

P

P

A

Q

V

Q

P

L

A

L

T

V

M

G

T

G

P

Y

W

R

Q

Q

E

L

I

Y

Y

I

R

D

A

H

H

V

A

L

S

Q

Q

A

L

D

D

Q

T

G

G

C

G

D

V

F

L

D

E

F

F

L

A

V

V

G

K

C

Y

R

Q

-

D

-

L

G

A

A

A

E

K

V

L

P

P

R

R

H

H

S

N

H

H

binding fe2/s2 (inorganic) cluster: C58 (= C56), N91 (≠ S89), C126 (= C124), D127 (= D125), C199 (= C197)
binding magnesium ion: E90 (= E88), D127 (= D125), K128 (= K126), E461 (= E452)

P9WKJ5 Dihydroxy-acid dehydratase; DAD; EC 4.2.1.9 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
38% identity, 93% coverage: 25:559/578 of query aligns to 34:571/575 of P9WKJ5

query
sites
P9WKJ5

R

R

S

G

W

M

M

L

K

R

N

A

Q

V

G

G

I

M

A

D

D

D

H

E

Q

D

F

F

H

-

G

A

K

K

P

P

I

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

A

L

H

S

F

L

R

D

Q

R

I

L

A

A

E

N

H

A

V

V

K

K

R

E

G

G

V

V

I

F

E

S

A

A

G

G

G

G

F

Y

P

P

V

L

E

E

F

F

P

G

V

T

F

I

S

S

-

V

-

S