SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing CCNA_01488 FitnessBrowser__Caulo:CCNA_01488 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)

7m3kA Crystal structure of galactonate dehydratase from brucella melitensis biovar abortus 2308
80% identity, 98% coverage: 11:596/600 of query aligns to 2:587/587 of 7m3kA

query
sites
7m3kA

L

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A

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P

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

Q9A9Z2 D-xylonate dehydratase; XyDHT; Gluconate dehydratase; EC 4.2.1.82; EC 4.2.1.39 from Caulobacter vibrioides (strain ATCC 19089 / CIP 103742 / CB 15) (Caulobacter crescentus) (see 2 papers)
62% identity, 99% coverage: 6:600/600 of query aligns to 9:595/595 of Q9A9Z2

query
sites
Q9A9Z2

V

T

P

P

R

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R

R

A

-

L

F

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S

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R

A

D

W

W

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F

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D

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N

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P

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D

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D

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M

M

T

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A

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Y

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A

A

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Q

T

T

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D

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C
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C

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C

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D

K

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T

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A

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C

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M

M

A

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C

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A

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x
C

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F

A

A

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K

Y

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D

I

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A

A

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A

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-

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-

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P

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H

N

N

H

H

C64 (= C62) binding [2Fe-2S] cluster; mutation to S: Strong decrease in activity. Does not bind iron-sulfur cluster.
E96 (= E94) binding Mg(2+)
C132 (= C130) binding [2Fe-2S] cluster; mutation to S: Almost loss of activity. Does not bind iron-sulfur cluster.
D133 (= D131) binding Mg(2+)
C205 (= C203) binding [2Fe-2S] cluster; mutation to S: Strong decrease in activity. Does not bind iron-sulfur cluster.
C450 (≠ S449) mutation to S: Slight decrease in activity. Does not affect binding of iron-sulfur cluster.
E467 (= E466) binding Mg(2+)

5oynA Crystal structure of d-xylonate dehydratase in holo-form (see paper)
62% identity, 99% coverage: 6:600/600 of query aligns to 3:589/589 of 5oynA

query
sites
5oynA

V

T

P

P

R

R

R

R

A

-

L

F

R

R

S

S

R

R

A

D

W

W

F

F

D

D

N

N

P

P

D

D

N

H

I

I

D

D

M

M

T

T

A

A

L

L

Y

Y

L

L

E

E

R

R

Y

F

L

M

N

N

F

Y

G

G

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E

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E

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L

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S

G

G

K

K

P

P

I

I

I

I

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G

I

I

A

A

Q

Q

T

T

G

G

S

S

D

D

L

I

S

S

P

P

C
|
C

N

N

R

R

H

I

H

H

L

L

V

D

L

L

A

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E

Q

R

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V

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R

E

D

G

G

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I

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D

A

A

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G

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E

E

F

F

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P

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V

H

H

P

P

I

I

Q

F

E
|
E

T
x
N

G

C

K

R

R

R

P

P

T

T

A

A

G

A

L

L

D

D

R

R

N

N

L

L

S

S

Y

Y

L

L

G

G

L

L

V

V

E

E

L

T

L

L

Y

H

G

G

Y

Y

P

P

L

I

D

D

G

A

V

V

V

V

L

L

T

T

I

T

G

G

C
|
C

D
|
D

K
|
K

T

T

T

T

P

P

A

A

C

G

L

I

M

M

A

A

A

A

A

T

T

T

V

V

N

N

I

I

P

P

A

A

I

I

A

V

L

L

S

S

V

G

G

G

P

P

M

M

L

L

N

D

G

G

W

W

H

H

K

E

G

N

K

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R

L

T

V

G

G

S

S

G

G

T

T

I

V

V

I

W

W

K

R

A

S

R

R

E

R

M

K

L

L

A

A

A

A

G

G

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E

I

I

D

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N

E

A

E

G

E

F

F

I

I

K

D

L

R

V

A

A

A

S

S

S

S

A

A

P

P

S

S

T

A

G

G

Y

H

C
|
C

N

N

T

T

M

M

G

G

T

T

A

A

T

S

T

T

M

M

N

N

S

A

L

V

T

A

E

E

A

A

L

L

G

G

M

L

S

S

L

L

P

T

G

G

S

C

A

A

A

A

I

I

P

P

A

A

P

P

Y

Y

R

R

D

E

R

R

Q

G

E

Q

N

M

A

A

Y

Y

R

K

T

T

G

G

L

Q

R

R

I

I

V

V

E

D

M

L

V

A

A

Y

E

D

D

D

L

V

K

K

P

P

S

L

D

D

I

I

L

L

T

T

R

K

E

Q

A

A

F

F

L

E

N

N

A

A

I

I

V

A

V

L

N

V

S

A

A

A

I

A

G

G

G

G

S

S

T

T

N

N

A

A

P

Q

I

P

H

H

L

I

N

V

A

A

L

M

A

A

R

R

H

H

M

A

D

G

V

V

D

E

L

I

T

T

L

A

E

D

D

D

W

W

E

R

T

-

A

A

G

A

K

Y

D

D

V

I

P

P

L

L

L

I

V

V

N

N

L

M

Q

Q

P

P

A

A

G

G

E

K

Y

Y

L

L

G

G

E

E

D

R

Y

F

Y

H

R

R

A

A

G

G

G

G

V

A

P

P

A

A

V

V

F

L

G

W

Q

E

L

L

I

L

E

Q

Q

Q

G

G

L

R

I

L

H

H

Q

G

D

D

A

V

R

L

A

T

V

V

S

T

G

G

Q

K

S

T

I

M

G

S

E

E

Q

N

Y

L

R

Q

G

G

A

R

V

E

I

T

E

S

D

D

E

R

D

E

V

V

I

I

R

F

P

P

F

Y

A

H

R

E

P

P

L

L

V

A

E

E

H

K

A

A

G

G

F

F

A

L

I

V

M

L

R

K

G

G

N

N

L

L

F

F

N

D

S

F

A

A

I

I

M

M

K

K

T

S

S

S

V

V

I

I

S

G

E

E

E

E

F

F

R

R

A

K

R

R

Y

Y

L

L

S

S

N

Q

P

P

D

G

D

Q

P

E

D

G

A

V

F

F

E

E

G

A

N

R

A

A

I

I

V

V

F

F

D

D

G

G

P

S

E

D

D

D

Y

Y

H

H

H

K

R

R

I

I

D

N

D

D

P

P

A

A

L

L

G

E

I

I

T

D

A

E

Y

R

S

C

I

I

L

L

F

V

M

I

R

R

G

G

A

A

G

G

P

P

I

I

G

G

Y

W

P

P

G

G

S

S

A

A

E
|
E

V

V

V

V

N

N

M

M

R

Q

A

P

P

P

N

D

Y

H

L

L

I

L

K

K

Q

K

G

G

I

I

H

M

Q

S

L

L

P

P

C

T

I

L

G

G

D

D

G

G

R

R

Q

Q

S

S

G

G

T

T

S

A

G

D

S

S

P

P

S

S

I

I

L

L

N

N

A

A

S

S

P

P

E

E

A

S

A

A

A

I

G

G

G

G

G

G

L

L

A

S

L

W

L

L

K

R

T

T

G

G

D

D

R

T

V

I

R

R

F

I

D

D

L

L

R

N

K

T

S

G

R

R

V

C

D

D

V

A

L

L

V

V

S

D

A

E

S

A

E

T

V

I

V

A

E

A

R

R

R

K

R

Q

A

-

L

-

E

-

A

-

A

D

G

G

G

I

Y

P

A

A

Y

V

P

P

E

A

S

T

Q

M

T

T

P

P

W

W

Q

Q

E

E

I

I

Q

Y

R

R

A

A

V

H

V

A

G

S

Q

Q

M

L

D

D

T

T

G

G

A

G

V

V

L

L

E

E

P

F

A

A

V

V

K

K

Y

Y

Q

Q

R

D

I

L

A

A

Q

A

T

K

K

-

G

-

L

L

P

P

R

R

D

H

N

N

H

H

binding fe2/s2 (inorganic) cluster: C58 (= C62), N91 (≠ T95), C126 (= C130), D127 (= D131), C199 (= C203)
binding magnesium ion: E90 (= E94), D127 (= D131), K128 (= K132), E461 (= E466)

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)
43% identity, 99% coverage: 9:600/600 of query aligns to 9:579/579 of B5ZZ34

query
sites
B5ZZ34

R

R

A

K

L

L

R

R

S

S

R

Q

A

E

W

W

F

Y

D

G

N

G

P

T

D

S

N

R

I

-

D

-

M

-

T

D

A

V

L

I

Y

Y

L

H

E

R

R

G

Y

W

L

L

N

K

F

N

G

Q

L

G

T

Y

L

P

E

H

E

D

L

L

Q

F

S

D

G

G

K

R

P

P

I

V

I

I

G

G

I

I

A

L

Q

N

T

T

G

W

S

S

D

D

L

M

S

T

P

P

C
|
C

N

N

R

G

H

H

H

L

L

R

V

E

L

L

A

A

E

E

R

K

V

V

R

K

E

A

G

G

I

V

R

W

S

E

A

A

G

G

G

G

I

F

A

P

L

L

E

E

F

V

P

P

V

V

H

F

P

S

I

A

Q

S

E
|
E

T

N

G

T

K

F

R

R

P

P

T

T

A

A

G

M

L

M

D

Y

R

R

N

N

L

L

S

A

Y

A

L

L

G

A

L

V

V

E

E

E

L

A

L

I

Y

R

G

G

Y

Q

P

P

L

M

D

D

G

G

V

C

V

V

L

L

T

L

I

V

G

G

C
|
C

D
|
D

K

K

T

T

T

T

P

P

A

S

C

L

L

L

M

M

A

G

A

A

A

A

T

S

V

C

N

D

I

L

P

P

A

S

I

I

A

V

L

V

S

T

V

G

G

G

P

P

M

M

L

L

N

N

G

G

W

Y

H

F

K

R

G

G

K

E

R

R

T

V

G

G

S

S

G

G

T

T

I

H

V

L

W

W

K

K

A

F

R

S

E

E

M

M

L

V

A

K

A

A

G

G

E

E

I

M

D

T

N

Q

A

A

G

E

F

F

I

L

K

E

L

A

V

E

A

A

S

S

S

M

A

S

P

R

S

S

T

S

G

G

Y

T

C
|
C

N

N

T

T

M

M

G

G

T

T

A

A

T

S

T

T

M

M

N

A

S

S

L

M

T

A

E

E

A

A

L

L

G

G

M

M

S

A

L

L

P

S

G

G

S

N

A

A

A

A

I

I

P

P

A

G

P

V

Y

D

R

S

D

R

R

R

Q

K

E

V

N

M

A

A

Y

Q

R

L

T

T

G

G

L

R

R

R

I

I

V

V

E

Q

M

M

V

V

A

K

E

D

D

D

L

L

K

K

P

P

S

S

D

E

I

I

L

M

T

T

R

K

E

Q

A

A

F

F

L

E

N

N

A

A

I

I

V

R

V

T

N

N

S

A

A

A

I

I

G

G

G

G

S

S

T

T

N

N

A

A

P

V

I

I

H

H

L

L

N

L

A

A

L

I

A

A

R

G

H

R

M

V

D

G

V

I

D

D

L

L

T

S

L

L

E

D

D

D

W

W

E

D

T

R

A

C

G

G

K

R

D

D

V

V

P

P

L

T

L

I

V

V

N

N

L

L

Q

M

P

P

A

S

G

G

E

K

Y

Y

L

L

G

M

E

E

D

E

Y

F

Y

F

R

Y

A

A

G

G

G

G

V

L

P

P

A

V

V

V

F

L

G

K

Q

R

L

L

I

G

E

E

Q

A

G

G

L

L

I

L

H

H

Q

K

D

D

A

A

R

L

A

T

V

V

S

S

G

G

Q

E

S

T

I

V

G

W

E

D

Q

E

Y

V

R

K

G

D

A

V

V

V

I

N

E

W

D

N

E

E

D

D

V

V

I

I

R

L

P

P

F

A

A

E

R

K

P

A

L

L

V

T

E

S

H

S

A

G

G

G

F

I

A

V

I

V

M

L

R

R

G

G

N

N

L

L

F

A

-

P

N

K

S

G

A

A

I

V

M

L

K

K

T

P

S

S

V

A

I

A

S

S

E

P

E

H

F

L

R

L

A

V

R

H

Y

-

L

-

S

-

N

-

P

-

D

-

D

-

P

-

D

-

A

-

F

-

E

K

G

G

N

R

A

A

I

V

V

V

F

F

D

E

G

D

P

I

E

D

D

D

Y

Y

H

K

H

A

R

K

I

I

D

N

D

D

P

D

A

N

L

L

G

D

I

I

T

D

A

E

Y

N

S
x
C

I

I

L

M

F

V

M

M

R

K

G

N

A
x
C

G

G

P

P

I

K

G

G

Y

Y

P

P

G

G

S

M

A

A

E
|
E

V

V

V

G

N

N

M

M

R

G

A

L

P

P

N

P

Y

K

L

V

I

L

K

K

Q

K

G

G

I

I

H

L

Q

D

L

M

P

V

C

R

I

I

G

S

D

D

G

A

R

R

Q

M

S
|
S

G

G

T

T

S

A

G

Y

S

G

P

T

S

V

I

V

L

L

N

H

A

T

S

S

P

P

E

E

A

A

A

A

A

V

G

G

G

G

G

P

L

L

A

A

L

V

L

V

K

K

T

N

G

G

D

D

R

M

V

I

R

E

F

L

D

D

L

V

R

P

K

N

S

R

R

R

V

L

D

H

V

L

L

D

V

I

S

S

A

D

S

E

E

E

V

L

V

A

E

-

R

-

R

R

R

R

A

L

L

A

E

E

A

W

A

Q

G

P

G

N

Y

H

A

D

Y

L

P

P

E

T

S

S

Q

G

T

Y

P

A

W

F

Q

L

E

H

I

Q

Q

Q

R

H

A

-

V

-

V

V

G

E

Q

G

M

A

D

D

T

T

G

G

A

A

V

D

L

L

E

D

P

-

A

-

V

-

K

-

Y

F

Q

L

R

K

I

G

A

C

Q

R

T

G

K

N

G

A

L

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 (≠ S449) mutation to S: No change in activity. Does not affect binding of iron-sulfur cluster.
C443 (≠ A456) mutation to S: Slight decrease in activity. Does not affect binding of iron-sulfur cluster.
E453 (= E466) binding Mg(2+)
S480 (= S493) mutation to A: Loss of activity.

9evvD His579leu variant of l-arabinonate dehydratase co-crystallized with 2- oxobutyrate (see paper)
44% identity, 96% coverage: 9:581/600 of query aligns to 5:560/575 of 9evvD

query
sites
9evvD

R

R

A

K

L

L

R

R

S

S

R

Q

A

E

W

W

F

Y

D

G

N

G

P

T

D

S

N

R

I

-

D

-

M

-

T

D

A

V

L

I

Y

Y

L

H

E

R

R

G

Y

W

L

L

N

K

F

N

G

Q

L

G

T

Y

L

P

E

H

E

D

L

L

Q

F

S

D

G

G

K

R

P

P

I

V

I

I

G

G

I

I

A

L

Q

N

T

T

G

W

S

S

D

D

L

M

S

T

P

P

C
|
C

N

N

R

G

H

H

H

L

L

R

V

E

L

L

A

A

E

E

R

K

V

V

R

K

E

A

G

G

I

V

R

W

S

E

A

A

G

G

G

G

I

F

A

P

L

L

E

E

F

V

P

P

V

V

H

F

P

S

I

A

Q

S

E
|
E

T

N

G

T

K

F

R

R

P

P

T

T

A

A

G

M

L

M

D

Y

R

R

N

N

L

L

S

A

Y

A

L

L

G

A

L

V

V

E

E

E

L

A

L

I

Y

R

G

G

Y

Q

P

P

L

M

D

D

G

G

V

C

V

V

L

L

T

L

I

V

G

G

C
|
C

D
|
D

K
|
K

T

T

T

T

P

P

A

S

C

L

L

L

M

M

A

G

A

A

A

A

T

S

V

C

N

D

I

L

P

P

A

S

I

I

A

V

L

V

S

T

V

G

G

G

P

P

M

M

L

L

N

N

G

G

W

Y

H

F

K

R

G

G

K

E

R

R

T

V

G

G

S

S

G

G

T

T

I

H

V

L

W

W

K

K

A

F

R

S

E

E

M

M

L

V

A

K

A

A

G

G

E

E

I

M

D

T

N

Q

A

A

G

E

F

F

I

L

K

E

L

A

V

E

A

A

S

S

S

M

A

S

P

R

S

S

T

S

G

G

Y
x
T

C
|
C

N

N

T

T

M

M

G

G

T
|
T

A

A

T

S

T

T

M

M

N

A

S

S

L

M

T

A

E

E

A

A

L

L

G

G

M

M

S

A

L

L

P

S

G

G

S

N

A

A

A

A

I

I

P

P

A

G

P

V

Y

D

R

S

D

R

R

R

Q

K

E

V

N

M

A

A

Y

Q

R

L

T

T

G

G

L

R

R

R

I

I

V

V

E

Q

M

M

V

V

A

K

E

D

D

D

L

L

K

K

P

P

S

S

D

E

I

I

L

M

T

T

R

K

E

Q

A

A

F

F

L

E

N

N

A

A

I

I

V

R

V

T

N

N

S

A

A

A

I

I

G

G

G

G

S

S

T

T

N

N

A

A

P

V

I

I

H

H

L

L

N

L

A

A

L

I

A

A

R

G

H

R

M

V

D

G

V

I

D

D

L

L

T

S

L

L

E

D

D

D

W

W

E

D

T

R

A

C

G

G

K

R

D

D

V

V

P

P

L

T

L

I

V

V

N

N

L

L

Q

M

P

P

A

S

G

G

E

K

Y

Y

L

L

G

M

E

E

D

E

Y

F

Y

F

R

Y

A

A

G

G

G

G

V

L

P

P

A

V

V

V

F

L

G

K

Q

R

L

L

I

G

E

E

Q

A

G

G

L

L

I

L

H

H

Q

K

D

D

A

A

R

L

A

T

V

V

S

S

G

G

Q

E

S

T

I

V

G

W

E

D

Q

E

Y

V

R

K

G

D

A

V

V

V

I

N

E

W

D

N

E

E

D

D

V

V

I

I

R

L

P

P

F

A

A

E

R

K

P

A

L

L

V

T

E

S

H

S

A

G

G

G

F

I

A

V

I

V

M

L

R

R

G

G

N

N

L

L

F

A

-

P

N

K

S

G

A

A

I

V

M

L

K

K

T

P

S

S

V

A

I

A

S

S

E

P

E

H

F

L

R

L

A

V

R

H

Y

-

L

-

S

-

N

-

P

-

D

-

D

-

P

-

D

-

A

-

F

-

E

K

G

G

N

R

A

A

I

V

V

V

F

F

D

E

G

D

P

I

E

D

D

D

Y

Y

H

K

H

A

R

K

I

I

D

N

D

D

P

D

A

N

L

L

G

D

I

I

T

D

A

E

Y

N

S

C

I

I

L

M

F

V

M

M

R

K

G

N

A

C

G

G

P

P

I

K

G

G

Y

Y

P

P

G

G

S

M

A

A

E
|
E

V

V

V

G

N

N

M

M

R

G

A

L

P

P

N

P

Y

K

L

V

I

L

K

K

Q

K

G

G

I

I

H

L

Q

D

L

M

P

V

C

R

I

I

G

S

D

D

G

A

R

R

Q

M

S
|
S

G
|
G

T

T

S

A

G

Y

S

G

P

T

S

V

I

V

L

L

N

H

A

T

S

S

P

P

E

E

A

A

A

A

A

V

G

G

G

G

G

P

L

L

A

A

L

V

L

V

K

K

T

N

G

G

D

D

R

M

V

I

R

E

F

L

D

D

L

V

R

P

K

N

S

R

R

R

V

L

D

H

V

L

L

D

V

I

S

S

A

D

S

E

E

E

V

L

V

A

E

-

R

-

R

R

R

R

A

L

L

A

E

E

A

W

A

Q

G

P

G

N

Y

H

A

D

Y

L

P

P

E

T

S

S

Q

G

T

Y

P

A

W

F

Q

L

E

H

I

Q

Q

Q

R

H

A

-

V

-

V

V

G

E

Q

G

M

A

D

D

T

T

G

G

A

A

V

D

L

L

E

D

binding 2-ketobutyric acid: E87 (= E94), D124 (= D131), T201 (= T208), E449 (= E466), S476 (= S493), G477 (= G494)
binding fe2/s2 (inorganic) cluster: C55 (= C62), C123 (= C130), D124 (= D131), T195 (≠ Y202), C196 (= C203)
binding magnesium ion: E87 (= E94), D124 (= D131), K125 (= K132), E449 (= E466)

9evvA His579leu variant of l-arabinonate dehydratase co-crystallized with 2- oxobutyrate (see paper)
44% identity, 96% coverage: 9:581/600 of query aligns to 5:560/575 of 9evvA

query
sites
9evvA

R

R

A

K

L

L

R

R

S

S

R

Q

A

E

W

W

F

Y

D

G

N

G

P

T

D

S

N

R

I

-

D

-

M

-

T

D

A

V

L

I

Y

Y

L

H

E

R

R

G

Y

W

L

L

N

K

F

N

G

Q

L

G

T

Y

L

P

E

H

E

D

L

L

Q

F

S

D

G

G

K

R

P

P

I

V

I

I

G

G

I

I

A

L

Q

N

T

T

G

W

S

S

D

D

L

M

S

T

P

P

C
|
C

N

N

R

G

H

H

H

L

L

R

V

E

L

L

A

A

E

E

R

K

V

V

R

K

E

A

G

G

I

V

R

W

S

E

A

A

G

G

G

G

I

F

A

P

L

L

E

E

F

V

P

P

V

V

H

F

P

S

I

A

Q

S

E
|
E

T
x
N

G

T

K

F

R

R

P

P

T

T

A

A

G

M

L

M

D

Y

R

R

N

N

L

L

S

A

Y

A

L

L

G

A

L

V

V

E

E

E

L

A

L

I

Y

R

G

G

Y

Q

P

P

L

M

D

D

G

G

V

C

V

V

L

L

T

L

I

V

G

G

C
|
C

D
|
D

K
|
K

T

T

T

T

P

P

A

S

C

L

L

L

M

M

A

G

A

A

A

A

T

S

V

C

N

D

I

L

P

P

A

S

I

I

A

V

L

V

S

T

V

G

G

G

P

P

M

M

L

L

N

N

G

G

W

Y

H

F

K

R

G

G

K

E

R

R

T

V

G

G

S

S

G

G

T

T

I

H

V

L

W

W

K

K

A

F

R

S

E

E

M

M

L

V

A

K

A

A

G

G

E

E

I

M

D

T

N

Q

A

A

G

E

F

F

I

L

K

E

L

A

V

E

A

A

S

S

S

M

A

S

P

R

S

S

T

S

G

G

Y
x
T

C
|
C

N

N

T

T

M

M

G

G

T

T

A

A

T

S

T

T

M

M

N

A

S

S

L

M

T

A

E

E

A

A

L

L

G

G

M

M

S

A

L

L

P

S

G

G

S

N

A

A

A

A

I

I

P

P

A

G

P

V

Y

D

R

S

D

R

R

R

Q

K

E

V

N

M

A

A

Y

Q

R

L

T

T

G

G

L

R

R

R

I

I

V

V

E

Q

M

M

V

V

A

K

E

D

D

D

L

L

K

K

P

P

S

S

D

E

I

I

L

M

T

T

R

K

E

Q

A

A

F

F

L

E

N

N

A

A

I

I

V

R

V

T

N

N

S

A

A

A

I

I

G

G

G

G

S

S

T

T

N

N

A

A

P

V

I

I

H

H

L

L

N

L

A

A

L

I

A

A

R

G

H

R

M

V

D

G

V

I

D

D

L

L

T

S

L

L

E

D

D

D

W

W

E

D

T

R

A

C

G

G

K

R

D

D

V

V

P

P

L

T

L

I

V

V

N

N

L

L

Q

M

P

P

A

S

G

G

E

K

Y

Y

L

L

G

M

E

E

D

E

Y

F

Y

F

R

Y

A

A

G

G

G

G

V

L

P

P

A

V

V

V

F

L

G

K

Q

R

L

L

I

G

E

E

Q

A

G

G

L

L

I

L

H

H

Q

K

D

D

A

A

R

L

A

T

V

V

S

S

G

G

Q

E

S

T

I

V

G

W

E

D

Q

E

Y

V

R

K

G

D

A

V

V

V

I

N

E

W

D

N

E

E

D

D

V

V

I

I

R

L

P

P

F

A

A

E

R

K

P

A

L

L

V

T

E

S

H

S

A

G

G

G

F

I

A

V

I

V

M

L

R

R

G

G

N

N

L

L

F

A

-

P

N

K

S

G

A

A

I

V

M

L

K

K

T

P

S

S

V

A

I

A

S

S

E

P

E

H

F

L

R

L

A

V

R

H

Y

-

L

-

S

-

N

-

P

-

D

-

D

-

P

-

D

-

A

-

F

-

E

K

G

G

N

R

A

A

I

V

V

V

F

F

D

E

G

D

P

I

E

D

D

D

Y

Y

H

K

H

A

R

K

I

I

D

N

D

D

P

D

A

N

L

L

G

D

I

I

T

D

A

E

Y

N

S

C

I

I

L

M

F

V

M

M

R

K

G

N

A

C

G

G

P

P

I

K

G

G

Y

Y

P

P

G

G

S

M

A

A

E
|
E

V

V

V

G

N

N

M

M

R

G

A

L

P

P

N

P

Y

K

L

V

I

L

K

K

Q

K

G

G

I

I

H

L

Q

D

L

M

P

V

C

R

I

I

G

S

D

D

G

A

R

R

Q

M

S

S

G

G

T

T

S

A

G

Y

S

G

P

T

S

V

I

V

L

L

N

H

A

T

S

S

P

P

E

E

A

A

A

A

A

V

G

G

G

G

G

P

L

L

A

A

L

V

L

V

K

K

T

N

G

G

D

D

R

M

V

I

R

E

F

L

D

D

L

V

R

P

K

N

S

R

R

R

V

L

D

H

V

L

L

D

V

I

S

S

A

D

S

E

E

E

V

L

V

A

E

-

R

-

R

R

R

R

A

L

L

A

E

E

A

W

A

Q

G

P

G

N

Y

H

A

D

Y

L

P

P

E

T

S

S

Q

G

T

Y

P

A

W

F

Q

L

E

H

I

Q

Q

Q

R

H

A

-

V

-

V

V

G

E

Q

G

M

A

D

D

T

T

G

G

A

A

V

D

L

L

E

D

binding fe2/s2 (inorganic) cluster: C55 (= C62), N88 (≠ T95), C123 (= C130), D124 (= D131), T195 (≠ Y202), C196 (= C203)
binding magnesium ion: E87 (= E94), D124 (= D131), K125 (= K132), E449 (= E466)

5j85A Ser480ala mutant of l-arabinonate dehydratase (see paper)
43% identity, 99% coverage: 9:600/600 of query aligns to 6:576/576 of 5j85A

query
sites
5j85A

R

R

A

K

L

L

R

R

S

S

R

Q

A

E

W

W

F

Y

D

G

N

G

P

T

D

S

N

R

I

-

D

-

M

-

T

D

A

V

L

I

Y

Y

L

H

E

R

R

G

Y

W

L

L

N

K

F

N

G

Q

L

G

T

Y

L

P

E

H

E

D

L

L

Q

F

S

D

G

G

K

R

P

P

I

V

I

I

G

G

I

I

A

L

Q

N

T

T

G

W

S

S

D

D

L

M

S

T

P

P

C
|
C

N

N

R

G

H

H

H

L

L

R

V

E

L

L

A

A

E

E

R

K

V

V

R

K

E

A

G

G

I

V

R

W

S

E

A

A

G

G

G

G

I

F

A

P

L

L

E

E

F

V

P

P

V

V

H

F

P

S

I

A

Q

S

E
|
E

T
x
N

G

T

K

F

R

R

P

P

T

T

A

A

G

M

L

M

D

Y

R

R

N

N

L

L

S

A

Y

A

L

L

G

A

L

V

V

E

E

E

L

A

L

I

Y

R

G

G

Y

Q

P

P

L

M

D

D

G

G

V

C

V

V

L

L

T

L

I

V

G

G

C
|
C

D
|
D

K
|
K

T

T

T

T

P

P

A

S

C

L

L

L

M

M

A

G

A

A

A

A

T

S

V

C

N

D

I

L

P

P

A

S

I

I

A

V

L

V

S

T

V

G

G

G

P

P

M

M

L

L

N

N

G

G

W

Y

H

F

K

R

G

G

K

E

R

R

T

V

G

G

S

S

G

G

T

T

I

H

V

L

W

W

K

K

A

F

R

S

E

E

M

M

L

V

A

K

A

A

G

G

E

E

I

M

D

T

N

Q

A

A

G

E

F

F

I

L

K

E

L

A

V

E

A

A

S

S

S

M

A

S

P

R

S

S

T

S

G

G

Y
x
T

C
|
C

N

N

T

T

M

M

G

G

T
|
T

A

A

T

S

T

T

M

M

N

A

S

S

L

M

T

A

E

E

A

A

L

L

G

G

M

M

S

A

L

L

P

S

G

G

S

N

A

A

A

A

I

I

P

P

A

G

P

V

Y

D

R

S

D

R

R

R

Q

K

E

V

N

M

A

A

Y

Q

R

L

T

T

G

G

L

R

R

R

I

I

V

V

E

Q

M

M

V

V

A

K

E

D

D

D

L

L

K

K

P

P

S

S

D

E

I

I

L

M

T

T

R

K

E

Q

A

A

F

F

L

E

N

N

A

A

I

I

V

R

V

T

N

N

S

A

A

A

I

I

G

G

G

G

S

S

T

T

N

N

A

A

P

V

I

I

H

H

L

L

N

L

A

A

L

I

A

A

R

G

H

R

M

V

D

G

V

I

D

D

L

L

T

S

L

L

E

D

D

D

W

W

E

D

T

R

A

C

G

G

K

R

D

D

V

V

P

P

L

T

L

I

V

V

N

N

L

L

Q

M

P

P

A

S

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H

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binding fe2/s2 (inorganic) cluster: C56 (= C62), N89 (≠ T95), C124 (= C130), D125 (= D131), T196 (≠ Y202), C197 (= C203)
binding magnesium ion: E88 (= E94), D125 (= D131), K126 (= K132), T202 (= T208), E450 (= E466)

8ej0A Crystal structure of fe-s cluster-dependent dehydratase from paralcaligenes ureilyticus in complex with mg (see paper)
43% identity, 98% coverage: 12:600/600 of query aligns to 3:568/568 of 8ej0A

query
sites
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