SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_038205992.1 NCBI__GCF_000745855.1:WP_038205992.1 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 15 hits to proteins with known functional sites (download)

8ej0A Crystal structure of fe-s cluster-dependent dehydratase from paralcaligenes ureilyticus in complex with mg (see paper)
77% identity, 98% coverage: 15:580/580 of query aligns to 3:568/568 of 8ej0A

query
sites
8ej0A

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binding bicarbonate ion: D119 (= D131), W161 (= W173), T196 (= T208), E442 (= E454), S469 (= S481), S469 (= S481), G470 (= G482)
binding fe2/s2 (inorganic) cluster: C50 (= C62), E82 (= E94), C118 (= C130), D119 (= D131), C191 (= C203)
binding magnesium ion: E82 (= E94), D119 (= D131), K120 (= K132), E442 (= E454)

8epzA Crystal structure of fe-s cluster-dependent dehydratase from paralcaligenes ureilyticus in complex with mn
77% identity, 98% coverage: 15:580/580 of query aligns to 4:569/569 of 8epzA

query
sites
8epzA

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D

D

N

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H

binding fe2/s2 (inorganic) cluster: C51 (= C62), C119 (= C130), D120 (= D131), C192 (= C203)
binding manganese (ii) ion: E83 (= E94), D120 (= D131), K121 (= K132), E443 (= E454)

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: 6:580/580 of query aligns to 3:579/579 of B5ZZ34

query
sites
B5ZZ34

R

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C

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C
|
C

D
|
D

K

K

T

T

T

T

P

P

A

S

L

L

M

L

M

M

G

G

A

A

A

A

S

S

V

C

D

D

L

L

P

P

T

S

I

I

G

V

V

V

S

T

G

G

G

G

P

P

M

M

L

L

S

N

G

G

K

Y

W

F

R

R

G

G

Q

E

E

R

L

V

G

G

S

S

G

G

T

T

G

H

V

L

W

W

Q

K

M

F

S

S

E

E

M

M

V

V

R

K

A

A

G

G

T

E

L

M

K

T

L

Q

Q

A

D

E

F

F

F

L

E

E

A

A

E

E

S

A

C

S

M

M

H

S

R

R

S

S

H

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

A

A

S

S

M

M

V

A

E

E

S

A

I

L

G

G

I

M

G

A

L

L

P

S

G

G

N

N

A

A

A

A

Y

I

P

P

A

G

V

V

D

D

G

S

R

R

R

R

N

K

V

V

L

M

A

A

R

Q

M

L

A

T

G

G

R

R

R

R

I

I

V

V

D

Q

M

M

V

V

H

K

E

D

D

D

L

L

V

K

M

P

S

S

R

E

I

I

V

M

T

T

R

K

E

Q

A

A

M

F

E

E

N

N

V

A

I

I

K

R

V

T

N

N

A

A

A

A

I

I

G

G

G

G

S

S

T

T

N

N

L

A

V

V

I

I

H

H

L

L

L

L

A

A

I

I

A

A

G

G

R

R

L

V

G

G

I

I

D

D

L

L

T

S

L

L

D

D

D

D

F

W

D

D

R

R

I

C

G

G

S

R

E

D

L

V

P

P

C

T

L

I

L

V

D

N

L

L

Q

M

P

P

S

S

G

G

K

K

H

Y

L

L

M

M

E

E

D

E

F

F

C

F

Y

Y

A

A

G

G

G

G

L

L

P

P

V

V

V

V

M

L

K

K

E

R

I

L

-

G

-

E

A

A

H

G

L

L

L

L

H

H

K

K

D

D

L

A

I

L

T

T

A

V

S

S

G

G

Q

E

T

T

V

V

W

W

E

D

N

E

V

V

K

K

D

D

A

V

E

V

N

N

Y

W

N

N

P

E

Q

D

V

V

I

I

R

L

P

P

L

A

A

E

E

K

P

A

F

L

K

T

D

S

K

S

A

G

G

G

I

I

C

V

V

V

L

L

R

R

G

G

N

N

L

L

A

A

P

P

N

K

G

G

A

A

I

V

I

L

K

K

P

P

S

S

A

A

A

A

T

S

P

P

E

H

L

L

L

L

V

V

H

H

K

K

G

G

R

R

A

A

V

V

V

V

F

F

E

E

N

D

A

I

D

D

D

D

L

Y

H

K

K

A

R

K

I

I

D

N

D

D

E

D

D

N

L

L

D

D

I

I

D

D

E

E

T

N

C
|
C

V

I

M

M

V

V

L

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

A

V

G

G

N

N

M

M

P

G

L

L

P

P

P

P

K

K

V

V

L

L

R

K

K

K

G

G

I

I

T

L

D

D

M

M

V

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

V

V

L

L

H

H

T

T

A

S

P

P

E

E

A

A

A

A

A

V

G

G

G

G

P

P

L

L

A

A

L

V

V

V

K

K

N

N

G

G

D

D

I

M

V

I

E

E

L

L

D

D

V

V

P

P

N

N

R

R

R

R

L

L

H

H

L

L

H

D

V

I

S

S

D

D

E

E

E

E

L

L

A

A

R

R

R

R

R

L

A

A

E

E

W

W

T

Q

P

P

P

N

K

H

P

D

P

L

L

P

D

T

S

S

G

G

Y

Y

W

A

K

F

L

L

Y

H

V

Q

D

Q

N

H

V

V

L

E

Q

G

A

A

D

D

E

T

G

G

A

A

D

D

L

L

G

D

F

F

L

L

R

K

G

G

K

C

R

R

G

G

S

N

F

A

V

V

P

G

R

K

D

D

N

S

H

H

C59 (= C62) binding [2Fe-2S] cluster; mutation to S: Loss of activity. Does not bind iron-sulfur cluster.
E91 (= E94) binding Mg(2+)
C127 (= C130) binding [2Fe-2S] cluster; mutation to S: Loss of activity. Does not bind iron-sulfur cluster.
D128 (= D131) binding Mg(2+)
C200 (= C203) binding [2Fe-2S] cluster; mutation to S: Almost loss of activity. Does not bind iron-sulfur cluster.
C436 (= C437) mutation to S: No change in activity. Does not affect binding of iron-sulfur cluster.
C443 (= C444) mutation to S: Slight decrease in activity. Does not affect binding of iron-sulfur cluster.
E453 (= E454) binding Mg(2+)
S480 (= S481) mutation to A: Loss of activity.

5j85A Ser480ala mutant of l-arabinonate dehydratase (see paper)
65% identity, 99% coverage: 7:580/580 of query aligns to 1:576/576 of 5j85A

query
sites
5j85A

K

K

K

A

K

E

P

W

P

P

H

R

E

K

L

L

R

R

S

S

Q

Q

Q

E

W

W

W

Y

G

G

R

G

T

T

D

S

R

R

D

D

G

V

F

I

I

Y

Y

H

R

R

S

G

W

W

V

L

K

K

G

N

K

Q

G

G

V

Y

P

P

H

H

D

D

Q

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

F

W

S

S

E

D

L

M

T

T

P

P

C
|
C

N

N

S

G

H

H

F

L

R

R

T

E

L

L

A

A

E

E

Q

K

V

V

K

K

I

A

G

G

V

V

Y

W

E

E

A

A

G

G

G

G

F

F

P

P

L

L

E

E

F

V

P

P

V

V

M

F

S

S

L

A

G

S

E
|
E

T
x
N

L

T

L

F

R

R

P

P

T

T

A

A

M

M

L

M

Y

Y

R

R

N

N

L

L

A

A

S

A

M

L

D

A

V

V

E

E

E

E

S

A

I

I

R

R

A

G

N

Q

P

P

L

M

D

D

G

G

V

C

V

V

L

L

L

L

M

V

G

G

C
|
C

D
|
D

K
|
K

T

T

T

T

P

P

A

S

L

L

M

L

M

M

G

G

A

A

A

A

S

S

V

C

D

D

L

L

P

P

T

S

I

I

G

V

V

V

S

T

G

G

G

G

P

P

M

M

L

L

S

N

G

G

K

Y

W

F

R

R

G

G

Q

E

E

R

L

V

G

G

S

S

G

G

T

T

G

H

V

L

W

W

Q

K

M

F

S

S

E

E

M

M

V

V

R

K

A

A

G

G

T

E

L

M

K

T

L

Q

Q

A

D

E

F

F

F

L

E

E

A

A

E

E

S

A

C

S

M

M

H

S

R

R

S

S

H

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

A

A

S

S

M

M

V

A

E

E

S

A

I

L

G

G

I

M

G

A

L

L

P

S

G

G

N

N

A

A

A

A

Y

I

P

P

A

G

V

V

D

D

G

S

R

R

R

R

N

K

V

V

L

M

A

A

R

Q

M

L

A

T

G

G

R

R

R

R

I

I

V

V

D

Q

M

M

V

V

H

K

E

D

D

D

L

L

V

K

M

P

S

S

R

E

I

I

V

M

T

T

R

K

E

Q

A

A

M

F

E

E

N

N

V

A

I

I

K

R

V

T

N

N

A

A

A

A

I

I

G

G

G

G

S

S

T

T

N

N

L

A

V

V

I

I

H

H

L

L

L

L

A

A

I

I

A

A

G

G

R

R

L

V

G

G

I

I

D

D

L

L

T

S

L

L

D

D

D

D

F

W

D

D

R

R

I

C

G

G

S

R

E

D

L

V

P

P

C

T

L

I

L

V

D

N

L

L

Q

M

P

P

S

S

G

G

K

K

H

Y

L

L

M

M

E

E

D

E

F

F

C

F

Y

Y

A

A

G

G

G

G

L

L

P

P

V

V

V

V

M

L

K

K

E

R

I

L

-

G

-

E

A

A

H

G

L

L

L

L

H

H

K

K

D

D

L

A

I

L

T

T

A

V

S

S

G

G

Q

E

T

T

V

V

W

W

E

D

N

E

V

V

K

K

D

D

A

V

E

V

N

N

Y

W

N

N

P

E

Q

D

V

V

I

I

R

L

P

P

L

A

A

E

E

K

P

A

F

L

K

T

D

S

K

S

A

G

G

G

I

I

C

V

V

V

L

L

R

R

G

G

N

N

L

L

A

A

P

P

N

K

G

G

A

A

I

V

I

L

K

K

P

P

S

S

A

A

A

A

T

S

P

P

E

H

L

L

L

L

V

V

H

H

K

K

G

G

R

R

A

A

V

V

V

V

F

F

E

E

N

D

A

I

D

D

D

D

L

Y

H

K

K

A

R

K

I

I

D

N

D

D

E

D

D

N

L

L

D

D

I

I

D

D

E

E

T

N

C

C

V

I

M

M

V

V

L

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

A

V

G

G

N

N

M

M

P

G

L

L

P

P

P

P

K

K

V

V

L

L

R

K

K

K

G

G

I

I

T

L

D

D

M

M

V

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

V

V

L

L

H

H

T

T

A

S

P

P

E

E

A

A

A

A

A

V

G

G

G

G

P

P

L

L

A

A

L

V

V

V

K

K

N

N

G

G

D

D

I

M

V

I

E

E

L

L

D

D

V

V

P

P

N

N

R

R

R

R

L

L

H

H

L

L

H

D

V

I

S

S

D

D

E

E

E

E

L

L

A

A

R

R

R

R

R

L

A

A

E

E

W

W

T

Q

P

P

P

N

K

H

P

D

P

L

L

P

D

T

S

S

G

G

Y

Y

W

A

K

F

L

L

Y

H

V

Q

D

Q

N

H

V

V

L

E

Q

G

A

A

D

D

E

T

G

G

A

A

D

D

L

L

G

D

F

F

L

L

R

K

G

G

K

C

R

R

G

G

S

N

F

A

V

V

P

G

R

K

D

D

N

S

H

H

binding fe2/s2 (inorganic) cluster: C56 (= C62), N89 (≠ T95), C124 (= C130), D125 (= D131), T196 (≠ H202), C197 (= C203)
binding magnesium ion: E88 (= E94), D125 (= D131), K126 (= K132), T202 (= T208), E450 (= E454)

9evvD His579leu variant of l-arabinonate dehydratase co-crystallized with 2- oxobutyrate (see paper)
65% identity, 98% coverage: 11:579/580 of query aligns to 4:574/575 of 9evvD

query
sites
9evvD

P

P

H

R

E

K

L

L

R

R

S

S

Q

Q

Q

E

W

W

W

Y

G

G

R

G

T

T

D

S

R

R

D

D

G

V

F

I

I

Y

Y

H

R

R

S

G

W

W

V

L

K

K

G

N

K

Q

G

G

V

Y

P

P

H

H

D

D

Q

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

F

W

S

S

E

D

L

M

T

T

P

P

C
|
C

N

N

S

G

H

H

F

L

R

R

T

E

L

L

A

A

E

E

Q

K

V

V

K

K

I

A

G

G

V

V

Y

W

E

E

A

A

G

G

G

G

F

F

P

P

L

L

E

E

F

V

P

P

V

V

M

F

S

S

L

A

G

S

E
|
E

T

N

L

T

L

F

R

R

P

P

T

T

A

A

M

M

L

M

Y

Y

R

R

N

N

L

L

A

A

S

A

M

L

D

A

V

V

E

E

E

E

S

A

I

I

R

R

A

G

N

Q

P

P

L

M

D

D

G

G

V

C

V

V

L

L

L

L

M

V

G

G

C
|
C

D
|
D

K
|
K

T

T

T

T

P

P

A

S

L

L

M

L

M

M

G

G

A

A

A

A

S

S

V

C

D

D

L

L

P

P

T

S

I

I

G

V

V

V

S

T

G

G

G

G

P

P

M

M

L

L

S

N

G

G

K

Y

W

F

R

R

G

G

Q

E

E

R

L

V

G

G

S

S

G

G

T

T

G

H

V

L

W

W

Q

K

M

F

S

S

E

E

M

M

V

V

R

K

A

A

G

G

T

E

L

M

K

T

L

Q

Q

A

D

E

F

F

F

L

E

E

A

A

E

E

S

A

C

S

M

M

H

S

R

R

S

S

H

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

A

A

S

S

M

M

V

A

E

E

S

A

I

L

G

G

I

M

G

A

L

L

P

S

G

G

N

N

A

A

A

A

Y

I

P

P

A

G

V

V

D

D

G

S

R

R

R

R

N

K

V

V

L

M

A

A

R

Q

M

L

A

T

G

G

R

R

R

R

I

I

V

V

D

Q

M

M

V

V

H

K

E

D

D

D

L

L

V

K

M

P

S

S

R

E

I

I

V

M

T

T

R

K

E

Q

A

A

M

F

E

E

N

N

V

A

I

I

K

R

V

T

N

N

A

A

A

A

I

I

G

G

G

G

S

S

T

T

N

N

L

A

V

V

I

I

H

H

L

L

L

L

A

A

I

I

A

A

G

G

R

R

L

V

G

G

I

I

D

D

L

L

T

S

L

L

D

D

D

D

F

W

D

D

R

R

I

C

G

G

S

R

E

D

L

V

P

P

C

T

L

I

L

V

D

N

L

L

Q

M

P

P

S

S

G

G

K

K

H

Y

L

L

M

M

E

E

D

E

F

F

C

F

Y

Y

A

A

G

G

G

G

L

L

P

P

V

V

V

V

M

L

K

K

E

R

I

L

-

G

-

E

A

A

H

G

L

L

L

L

H

H

K

K

D

D

L

A

I

L

T

T

A

V

S

S

G

G

Q

E

T

T

V

V

W

W

E

D

N

E

V

V

K

K

D

D

A

V

E

V

N

N

Y

W

N

N

P

E

Q

D

V

V

I

I

R

L

P

P

L

A

A

E

E

K

P

A

F

L

K

T

D

S

K

S

A

G

G

G

I

I

C

V

V

V

L

L

R

R

G

G

N

N

L

L

A

A

P

P

N

K

G

G

A

A

I

V

I

L

K

K

P

P

S

S

A

A

A

A

T

S

P

P

E

H

L

L

L

L

V

V

H

H

K

K

G

G

R

R

A

A

V

V

V

V

F

F

E

E

N

D

A

I

D

D

D

D

L

Y

H

K

K

A

R

K

I

I

D

N

D

D

E

D

D

N

L

L

D

D

I

I

D

D

E

E

T

N

C

C

V

I

M

M

V

V

L

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

A

V

G

G

N

N

M

M

P

G

L

L

P

P

P

P

K

K

V

V

L

L

R

K

K

K

G

G

I

I

T

L

D

D

M

M

V

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

V

V

L

L

H

H

T

T

A

S

P

P

E

E

A

A

A

A

A

V

G

G

G

G

P

P

L

L

A

A

L

V

V

V

K

K

N

N

G

G

D

D

I

M

V

I

E

E

L

L

D

D

V

V

P

P

N

N

R

R

R

R

L

L

H

H

L

L

H

D

V

I

S

S

D

D

E

E

E

E

L

L

A

A

R

R

R

R

R

L

A

A

E

E

W

W

T

Q

P

P

P

N

K

H

P

D

P

L

L

P

D

T

S

S

G

G

Y

Y

W

A

K

F

L

L

Y

H

V

Q

D

Q

N

H

V

V

L

E

Q

G

A

A

D

D

E

T

G

G

A

A

D

D

L

L

G

D

F

F

L

L

R

K

G

G

K

C

R

R

G

G

S

N

F

A

V

V

P

G

R

K

D

D

N

S

binding 2-ketobutyric acid: E87 (= E94), D124 (= D131), T201 (= T208), E449 (= E454), S476 (= S481), G477 (= G482)
binding fe2/s2 (inorganic) cluster: C55 (= C62), C123 (= C130), D124 (= D131), T195 (≠ H202), C196 (= C203)
binding magnesium ion: E87 (= E94), D124 (= D131), K125 (= K132), E449 (= E454)

9evvA His579leu variant of l-arabinonate dehydratase co-crystallized with 2- oxobutyrate (see paper)
65% identity, 98% coverage: 11:579/580 of query aligns to 4:574/575 of 9evvA

query
sites
9evvA

P

P

H

R

E

K

L

L

R

R

S

S

Q

Q

Q

E

W

W

W

Y

G

G

R

G

T

T

D

S

R

R

D

D

G

V

F

I

I

Y

Y

H

R

R

S

G

W

W

V

L

K

K

G

N

K

Q

G

G

V

Y

P

P

H

H

D

D

Q

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

F

W

S

S

E

D

L

M

T

T

P

P

C
|
C

N

N

S

G

H

H

F

L

R

R

T

E

L

L

A

A

E

E

Q

K

V

V

K

K

I

A

G

G

V

V

Y

W

E

E

A

A

G

G

G

G

F

F

P

P

L

L

E

E

F

V

P

P

V

V

M

F

S

S

L

A

G

S

E
|
E

T
x
N

L

T

L

F

R

R

P

P

T

T

A

A

M

M

L

M

Y

Y

R

R

N

N

L

L

A

A

S

A

M

L

D

A

V

V

E

E

E

E

S

A

I

I

R

R

A

G

N

Q

P

P

L

M

D

D

G

G

V

C

V

V

L

L

L

L

M

V

G

G

C
|
C

D
|
D

K
|
K

T

T

T

T

P

P

A

S

L

L

M

L

M

M

G

G

A

A

A

A

S

S

V

C

D

D

L

L

P

P

T

S

I

I

G

V

V

V

S

T

G

G

G

G

P

P

M

M

L

L

S

N

G

G

K

Y

W

F

R

R

G

G

Q

E

E

R

L

V

G

G

S

S

G

G

T

T

G

H

V

L

W

W

Q

K

M

F

S

S

E

E

M

M

V

V

R

K

A

A

G

G

T

E

L

M

K

T

L

Q

Q

A

D

E

F

F

F

L

E

E

A

A

E

E

S

A

C

S

M

M

H

S

R

R

S

S

H

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

A

A

S

S

M

M

V

A

E

E

S

A

I

L

G

G

I

M

G

A

L

L

P

S

G

G

N

N

A

A

A

A

Y

I

P

P

A

G

V

V

D

D

G

S

R

R

R

R

N

K

V

V

L

M

A

A

R

Q

M

L

A

T

G

G

R

R

R

R

I

I

V

V

D

Q

M

M

V

V

H

K

E

D

D

D

L

L

V

K

M

P

S

S

R

E

I

I

V

M

T

T

R

K

E

Q

A

A

M

F

E

E

N

N

V

A

I

I

K

R

V

T

N

N

A

A

A

A

I

I

G

G

G

G

S

S

T

T

N

N

L

A

V

V

I

I

H

H

L

L

L

L

A

A

I

I

A

A

G

G

R

R

L

V

G

G

I

I

D

D

L

L

T

S

L

L

D

D

D

D

F

W

D

D

R

R

I

C

G

G

S

R

E

D

L

V

P

P

C

T

L

I

L

V

D

N

L

L

Q

M

P

P

S

S

G

G

K

K

H

Y

L

L

M

M

E

E

D

E

F

F

C

F

Y

Y

A

A

G

G

G

G

L

L

P

P

V

V

V

V

M

L

K

K

E

R

I

L

-

G

-

E

A

A

H

G

L

L

L

L

H

H

K

K

D

D

L

A

I

L

T

T

A

V

S

S

G

G

Q

E

T

T

V

V

W

W

E

D

N

E

V

V

K

K

D

D

A

V

E

V

N

N

Y

W

N

N

P

E

Q

D

V

V

I

I

R

L

P

P

L

A

A

E

E

K

P

A

F

L

K

T

D

S

K

S

A

G

G

G

I

I

C

V

V

V

L

L

R

R

G

G

N

N

L

L

A

A

P

P

N

K

G

G

A

A

I

V

I

L

K

K

P

P

S

S

A

A

A

A

T

S

P

P

E

H

L

L

L

L

V

V

H

H

K

K

G

G

R

R

A

A

V

V

V

V

F

F

E

E

N

D

A

I

D

D

D

D

L

Y

H

K

K

A

R

K

I

I

D

N

D

D

E

D

D

N

L

L

D

D

I

I

D

D

E

E

T

N

C

C

V

I

M

M

V

V

L

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

A

V

G

G

N

N

M

M

P

G

L

L

P

P

P

P

K

K

V

V

L

L

R

K

K

K

G

G

I

I

T

L

D

D

M

M

V

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

V

V

L

L

H

H

T

T

A

S

P

P

E

E

A

A

A

A

A

V

G

G

G

G

P

P

L

L

A

A

L

V

V

V

K

K

N

N

G

G

D

D

I

M

V

I

E

E

L

L

D

D

V

V

P

P

N

N

R

R

R

R

L

L

H

H

L

L

H

D

V

I

S

S

D

D

E

E

E

E

L

L

A

A

R

R

R

R

R

L

A

A

E

E

W

W

T

Q

P

P

P

N

K

H

P

D

P

L

L

P

D

T

S

S

G

G

Y

Y

W

A

K

F

L

L

Y

H

V

Q

D

Q

N

H

V

V

L

E

Q

G

A

A

D

D

E

T

G

G

A

A

D

D

L

L

G

D

F

F

L

L

R

K

G

G

K

C

R

R

G

G

S

N

F

A

V

V

P

G

R

K

D

D

N

S

binding fe2/s2 (inorganic) cluster: C55 (= C62), N88 (≠ T95), C123 (= C130), D124 (= D131), T195 (≠ H202), C196 (= C203)
binding magnesium ion: E87 (= E94), D124 (= D131), K125 (= K132), E449 (= E454)

Q1JUQ1 L-arabonate dehydratase; L-arabinonate dehydratase; EC 4.2.1.25 from Azospirillum brasilense (see paper)
62% identity, 98% coverage: 14:580/580 of query aligns to 8:583/583 of Q1JUQ1

query
sites
Q1JUQ1

L

L

R

R

S

S

Q

T

Q

Q

W

W

W

F

G

G

R

T

T

N

D

D

R

K

D

N

G

G

F

F

I

M

Y

Y

R

R

S

S

W

W

V

M

K

K

G

N

K

Q

G

G

V

I

P

P

H

D

D

H

Q

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

F

W

S

S

E

E

L

L

T

T

P

P

C
|
C

N

N

S

A

H

H

F

F

R

R

T

K

L

L

A

A

E

E

Q

H

V

V

K

K

I

R

G

G

V

I

Y

S

E

E

A

A

G

G

G

G

F

F

P

P

L

V

E

E

F

F

P

P

V

V

M

F

S

S

L

N

G

G

E

E

T

S

L

N

L

L

R

R

P

P

T

S

A

A

M

M

L

L

Y

T

R

R

N

N

L

L

A

A

S

S

M

M

D

D

V

V

E

E

E

E

S

A

I

I

R

R

A

G

N

N

P

P

L

I

D

D

G

A

V

V

V

V

L

L

L

L

M

A

G

G

C
|
C

D

D

K

K

T

T

T

T

P

P

A

A

L

L

M

L

M

M

G

G

A

A

A

A

S

S

V

C

D

D

L

V

P

P

T

A

I

I

G

V

V

V

S

S

G

G

G

G

P

P

M

M

L

L

S

N

G

G

K

K

W

L

R

E

G

G

Q

K

E

N

L

I

G

G

S

S

G

G

T

T

G

A

V

V

W

W

Q

Q

M

L

S

H

E

E

M

A

V

L

R

K

A

A

G

G

T

E

L

I

K

D

L

V

Q

H

D

H

F

F

F

L

E

S

A

A

E

E

S

A

C

G

M

M

H

S

R

R

S

S

H

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

A

A

S

C

M

M

V

A

E

E

S

A

I

L

G

G

I

V

G

A

L

L

P

P

G

H

N

N

A

A

A

A

Y

I

P

P

A

A

V

V

D

D

G

S

R

R

R

R

N

Y

V

V

L

L

A

A

R

H

M

M

A

S

G

G

R

I

R

R

I

I

V

V

D

E

M

M

V

A

H

L

E

E

D

G

L

L

V

V

M

L

S

S

R

K

I

I

V

L

T

T

R

R

E

A

A

A

M

F

E

E

N

N

V

A

I

I

K

R

V

A

N

N

A

A

A

A

I

I

G

G

G

G

S

S

T

T

N

N

L

A

V

V

I

I

H

H

L

L

L

K

A

A

I

I

A

A

G

G

R

R

L

I

G

G

I

V

D

P

L

L

T

E

L

L

D

E

D

D

F

W

D

M

R

R

I

I

G

G

S

R

E

D

L

T

P

P

C

T

L

I

L

V

D

D

L

L

Q

M

P

P

S

S

G

G

K

R

H

F

L

P

M

M

E

E

D

E

F

F

C

Y

Y

Y

A

A

G

G

G

G

L

L

P

P

V

A

V

V

M

L

K

R

E

R

I

L

A

G

H

E

-

G

-

G

-

L

L

L

L

P

H

N

K

P

D

D

L

A

I

L

T

T

A

V

S

N

G

G

Q

K

T

S

V

L

W

W

E

D

N

N

V

V

K

R

D

E

A

A

E

P

N

N

Y

Y

N

D

P

E

Q

E

V

V

I

I

R

R

P

P

L

L

A

D

E

R

P

P

F

L

K

I

D

A

K

D

A

G

G

G

I

I

C

R

V

I

L

L

R

R

G

G

N

N

L

L

A

A

P

P

N

R

G

G

A

A

I

V

I

L

K

K

P

P

S

S

A

A

A

A

T

S

P

P

E

E

L

L

L

L

V

K

H

H

K

R

G

G

R

R

A

A

V

V

V

V

F

F

E

E

N

N

A

L

D

D

D

H

L

Y

H

K

K

A

R

T

I

I

D

N

D

D

E

E

D

A

L

L

D

D

I

I

D

D

E

A

T

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

A

V

G

G

N

N

M

M

P

G

L

L

P

P

P

P

K

K

V

L

L

L

R

R

K

Q

G

G

I

V

T

K

D

D

M

M

V

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

V

V

L

L

H

H

T

V

A

A

P

P

E

E

A

A

A

A

A

A

G

G

G

G

P

P

L

L

A

A

L

A

V

V

K

R

N

N

G

G

D

D

I

W

V

I

E

E

L

L

D

D

V

C

P

E

N

A

R

G

R

T

L

L

H

H

L

L

H

D

V

I

S

T

D

D

E

D

E

E

L

L

A

H

R

R

R

R

R

L

A

S

E

D

W

V

T

D

P

P

P

T

K

A

P

A

P

P

-

G

-

V

-

A

-

G

-

Q

-

L

L

G

D

K

S

G

G

G

Y

Y

W

A

K

R

L

L

Y

Y

V

I

D

D

N

H

V

V

L

L

Q

Q

A

A

D

D

E

E

G

G

A

C

D

D

L

L

G

D

F

F

L

L

R

V

G

G

K

T

R

R

G

G

S

A

F

E

V

V

P

P

R

S

D

H

N

S

H

H

C47 (= C53) mutation to A: 2-fold reduction in activity and still binds a 4Fe-4S cluster.
C56 (= C62) mutation to A: Loss of activity but seems to be able to bind a Fe-S cluster.
C124 (= C130) binding [4Fe-4S] cluster; mutation to A: Loss of activity and no 4Fe-4S cluster binding.
C197 (= C203) binding [4Fe-4S] cluster; mutation to A: Loss of activity and no 4Fe-4S cluster binding.
C441 (= C444) 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, 90% coverage: 13:533/580 of query aligns to 1:536/587 of 7m3kA

query
sites
7m3kA

E

K

L

L

R

R

S

S

Q

R

Q

A

W

W

W

F

G

D

R

N

T

P

D

D

R

D

D

V

G

D

F

M

-

T

-

A

I

L

Y

Y

R

L

S

E

W

R

V

Y

K

M

G

N

K

Y

G

G

V

L

P

S

H

Q

D

E

Q

E

F

L

D

Q

-

S

G

G

R

R

P

P

V

I

I

I

G

G

I

I

C

A

N

Q

T

T

F

G

S

S

E

D

L

L

T

S

P

P

C
|
C

N

N

S

R

H

H

F

H

R

L

T

E

L

L

A

A

E

K

Q

R

V

V

K

R

I

D

G

G

V

V

Y

R

E

E

A

A

G

G

G

G

F

I

P

V

L

I

E

E

F

F

P

P

V

V

M

H

S

P

L

I

G

Q

E

E

T

T

L

G

L

K

R

R

P

P

T

T

A

A

M

G

L

L

Y

D

R

R

N

N

L

L

A

A

S

Y

M

L

D

G

V

L

E

V

E

E

S

V

I

L

R

Y

A

G

N

Y

P

P

L

L

D

D

G

G

V

V

V

V

L

L

L

T

M

I

G

G

C
|
C

D

D

K

K

T

T

T

T

P

P

A

A

L

C

M

L

M

M

G

A

A

A

A

A

S

T

V

V

D

N

L

I

P

P

T

A

I

I

G

A

V

L

S

S

G

V

G

G

P

P

M

M

L

L

S

N

G

G

K

W

W

F

R

R

G

G

Q

E

E

R

L

T

G

G

S

S

G

G

T

T

G

I

V

V

W

W

Q

K

M

A

S

R

E

E

M

L

V

L

R

A

A

K

G

G

T

E

L

I

K

D

L

Y

Q

Q

D

G

F

F

F

V

E

K

A

L

E

V

S

A

C

S

M

S

H

A

R

P

S

S

H

T

G

G

H

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

M

L

V

A

E

E

S

A

I

L

G

G

I

M

G

Q

L

L

P

P

G

G

N

S

A

A

A

A

Y

I

P

P

A

A

V

P

D

Y

G

R

R

D

R

R

N

Q

V

E

L

V

A

A

R

Y

M

L

A

M

G

G

R

R

R

R

I

I

V

V

D

E

M

M

V

V

H

H

E

E

D

D

L

L

V

K

M

P

S

S

R

D

I

I

V

L

T

T

R

K

E

E

A

A

M

F

E

I

N

N

V

A

I

I

K

R

V

V

N

N

A

S

A

A

I

I

G

G

G

G

S

S

T

T

N

N

L

A

V

P

I

I

H

H

L

L

L

N

A

A

I

L

A

A

G

R

R

H

L

I

G

G

I

V

D

E

L

L

T

T

L

V

D

D

D

D

F

W

D

Q

R

K

I

Y

G

G

S

E

E

E

L

I

P

P

C

L

L

L

L

V

D

N

L

L

Q

Q

P

P

S

A

G

G

K

E

H

Y

L

L

M

G

E

E

D

D

F

Y

C

Y

Y

H

A

A

G

G

G

G

L

V

P

P

V

A

V

V

M

V

K

N

E

Q

I

L

-

M

-

G

A

Q

H

G

L

L

L

I

H

H

K

E

D

D

L

A

I

I

T

T

A

V

S

N

G

G

Q

K

T

T

V

I

W

G

E

E

N

N

V

C

K

K

D

N

A

A

E

T

N

I

Y

E

N

D

P

G

Q

N

V

V

I

I

R

K

P

T

L

Y

A

D

E

Q

P

P

F

L

K

K

D

K

K

H

A

A

G

G

I

F

C

R

V

V

L

L

R

R

G

G

N

N

L

L

A

F

P

-

N

S

G

S

A

A

I

I

I

M

K

K

P

L

S

S

A

V

A

I

T

S

P

D

E

E

L

F

L

R

-

N

-

R

-

Y

-

L

-

S

-

D

-

A

-

K

-

D

-

P

-

N

V

A

H

F

K

E

G

G

R

K

A

A

V

V

V

V

F

F

E

D

N

G

A

P

D

E

D

D

L

Y

H

H

K

H

R

R

I

I

D

D

D

D

E

P

D

A

L

L

D

E

I

I

D

D

E

E

T

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

A

V

G

V

N

N

M

M

P

R

L

A

P

P

P

D

K

Y

V

L

L

L

R

K

K

K

G

G

I

I

T

T

D

S

M

L

V

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

V

I

L

L

H

N

T

A

A

S

P

P

E

E

A

A

A

A

A

A

G

G

G

G

P

G

L

L

A

A

L

I

V

L

K

K

N

T

G

G

D

D

I

R

V

V

E

R

L

I

D

D

V

L

P

G

N

R

R

G

R

T

L

A

H

D

L

I

H

L

V

I

S

S

D

D

E

E

E

E

L

L

A

A

R

E

R

R

R

R

binding zinc ion: C53 (= C62), C121 (= C130)

5oynA Crystal structure of d-xylonate dehydratase in holo-form (see paper)
38% identity, 99% coverage: 8:580/580 of query aligns to 1:589/589 of 5oynA

query
sites
5oynA

K

N

K

R

P

T

P

P

H

R

E

R

L

F

R

R

S

S

Q

R

Q

D

W

W

W

F

G

D

R

N

T

P

D

D

R

H

D

I

G

D

F

M

-

T

-

A

I

L

Y

Y

R

L

S

E

W

R

V

F

K

M

G

N

K

Y

G

G

V

I

-

T

P

P

H

E

D

E

Q

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

F

G

S

S

E

D

L

I

T

S

P

P

C
|
C

N

N

S

R

H

I

F

H

R

L

T

D

L

L

A

V

E

Q

Q

R

V

V

K

R

I

D

G

G

V

I

Y

R

E

D

A

A

G

G

G

G

F

I

P

P

L

M

E

E

F

F

P

P

V

V

M

H

S

P

L

I

G

F

E
|
E

T
x
N

L

C

L

R

R

R

P

P

T

T

A

A

M

A

L

L

Y

D

R

R

N

N

L

L

A