SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_085640705.1 NCBI__GCF_002115805.1:WP_085640705.1 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 16 hits to proteins with known functional sites (download)

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)
64% identity, 99% coverage: 5:593/593 of query aligns to 8:595/595 of Q9A9Z2

query
sites
Q9A9Z2

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C64 (= C61) binding [2Fe-2S] cluster; mutation to S: Strong decrease in activity. Does not bind iron-sulfur cluster.
E96 (= E93) binding Mg(2+)
C132 (= C129) binding [2Fe-2S] cluster; mutation to S: Almost loss of activity. Does not bind iron-sulfur cluster.
D133 (= D130) binding Mg(2+)
C205 (= C202) binding [2Fe-2S] cluster; mutation to S: Strong decrease in activity. Does not bind iron-sulfur cluster.
C450 (= C448) mutation to S: Slight decrease in activity. Does not affect binding of iron-sulfur cluster.
E467 (= E465) binding Mg(2+)

5oynA Crystal structure of d-xylonate dehydratase in holo-form (see paper)
64% identity, 99% coverage: 5:593/593 of query aligns to 2:589/589 of 5oynA

query
sites
5oynA

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binding fe2/s2 (inorganic) cluster: C58 (= C61), N91 (≠ T94), C126 (= C129), D127 (= D130), C199 (= C202)
binding magnesium ion: E90 (= E93), D127 (= D130), K128 (= K131), E461 (= E465)

7m3kA Crystal structure of galactonate dehydratase from brucella melitensis biovar abortus 2308
62% identity, 98% coverage: 9:589/593 of query aligns to 1:587/587 of 7m3kA

query
sites
7m3kA

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P

V

M

I

E

E

F

F

P

P

V

V

H

H

P

P

I

I

Q

Q

E

E

T

T

G

G

K

K

R

R

P

P

T

T

A

A

A

G

L

L

D

D

R

R

N

N

L

L

A

A

Y

Y

L

L

S

G

L

L

V

V

E

E

V

V

L

L

H

Y

G

G

Y

Y

P

P

I

L

D

D

G

G

V

V

V

V

L

L

T

T

T

I

G

G

C
|
C

D

D

K

K

T

T

T

T

P

P

A

A

Q

C

L

L

M

M

G

A

A

A

A

A

T

T

V

V

D

N

I

I

P

P

A

A

I

I

A

A

L

L

N

S

G

V

G

G

P

P

M

M

L

L

D

N

G

G

W

W

Y

F

K

R

G

G

K

E

R

R

A

T

G

G

S

S

G

G

T

T

T

I

I

V

W

W

E

K

G

A

R

R

R

E

L

L

M

L

A

A

R

K

G

G

E

E

I

I

G

D

Y

Y

G

Q

E

G

F

F

M

V

D

K

L

L

A

V

C

A

A

S

S

S

S

A

P

P

S

S

L

T

G

G

H

Y

C

C

N

N

T

T

M

M

G

G

T

T

A

A

S

T

T

T

M

M

N

N

A

S

M

L

A

A

E

E

A

A

L

L

G

G

M

M

T

Q

L

L

P

P

G

G

S

S

S

A

A

A

I

I

P

P

A

A

P

P

F

Y

R

R

E

D

R

R

M

Q

A

E

M

V

A

A

Y

Y

E

L

T

M

G

G

K

R

R

R

C

I

V

V

Q

E

M

M

V

V

L

H

D

E

D

D

L

L

K

K

P

P

S

S

N

D

I

I

L

L

T

T

R

K

E

E

A

A

F

F

E

I

N

N

A

A

I

I

V

R

V

V

N

N

A

S

A

A

I

I

G

G

G

G

S

S

T

T

N

N

A

A

P

P

P

I

H

H

L

L

Q

N

A

A

I

L

A

A

R

R

H

H

A

I

G

G

V

V

E

E

L

L

D

T

V

V

T

D

D

D

W

W

E

Q

K

K

I

Y

G

G

F

E

D

E

V

I

P

P

L

L

M

L

V

V

N

N

M

L

Q

Q

P

P

A

A

G

G

E

E

Y

Y

L

L

G

G

E

E

S

D

F

Y

Y

Y

R

H

A

A

G

G

G

G

V

V

P

P

A

A

V

V

M

V

G

N

E

Q

L

L

R

M

K

G

A

Q

G

G

R

L

L

I

H

H

E

E

G

D

V

A

M

I

T

T

A

V

S

N

G

G

Q

K

R

T

L

I

G

G

D

E

V

N

L

C

A

K

S

N

W

A

E

T

S

I

L

E

D

D

R

G

D

N

V

V

I

I

T

K

T

T

Y

Y

D

D

A

Q

P

P

L

L

R

K

D

K

K

H

A

A

G

G

F

F

K

R

V

V

L

L

S

R

G

G

N

N

L

L

F

F

D

S

S

S

A

A

L

I

M

M

K

K

T

L

S

S

V

V

I

I

S

S

A

D

D

E

F

F

R

R

K

N

R

R

F

Y

L

L

S

S

K

D

P

A

G

K

E

D

E

P

G

N

V

A

F

F

E

E

A

G

R

K

A

A

I

V

V

V

F

F

E

D

G

G

P

P

E

E

D

D

Y

Y

H

H

D

H

R

R

I

I

N

D

D

D

P

P

D

A

L

L

A

E

I

I

D

D

E

E

N

H

C

T

I

V

L

L

F

F

I

M

R

R

N

G

V

A

G

G

C

P

V

I

G

G

Y

Y

P

P

G

G

S

A

A

A

E

E

V

V

V

V

N

N

M

M

Q

R

P

A

P

P

D

D

A

Y

L

L

V

L

K

K

A

K

G

G

I

I

N

T

H

S

L

L

P

P

T

C

V

I

G

G

D

D

G

G

R

R

Q

Q

S

S

G

G

T

T

S

S

E

G

S

S

P

P

S

S

I

I

L

L

N

N

A

A

S

S

P

P

E

E

A

A

V

A

V

A

G

G

G

G

G

G

L

L

A

A

Y

I

L

L

Q

K

T

T

G

G

D

D

R

R

V

V

R

R

L

I

D

D

L

L

N

G

A

R

S

G

T

T

L

A

N

D

A

I

L

L

V

I

D

S

E

D

A

E

E

E

W

L

E

A

A

E

R

R

K

R

A

K

A

A

W

L

E

E

A

A

-

V

-

G

-

G

-

Y

-

K

-

Y

P

P

E

E

I

-

V

-

N

S

Q

Q

T

T

P

P

W

W

Q

Q

E

E

I

I

Y

Q

R

R

R

A

H

V

V

I

G

G

Q

Q

L

M

A

E

D

T

G

G

G

A

C

V

L

L

E

E

L

N

A

A

T

V

A

K

Y

Y

Q

Q

R

D

I

I

A

A

-

H

-

T

R

R

D

G

L

L

P

P

binding zinc ion: C53 (= C61), C121 (= C129)

8ej0A Crystal structure of fe-s cluster-dependent dehydratase from paralcaligenes ureilyticus in complex with mg (see paper)
43% identity, 98% coverage: 11:593/593 of query aligns to 3:568/568 of 8ej0A

query
sites
8ej0A

R

R

S

S

Q

Q

E

A

W

W

F

F

D

G

N

R

P

L

N

D

N

R

P

D

G

G

M

F

T

-

A

-

L

I

Y

Y

L

R

E

S

R

W

Y

M

Q

K

N

N

Q

R

S

G

F

I

T

P

Q

H

G

D

E

Q

L

F

Q

D

A

G

E

-

K

R

P

P

I

V

I

I

G

G

I

I

A

C

N

N

T

T

G

F

S

S

D

E

L

L

A

T

P

P

C
|
C

N

N

K

S

I

H

H

F

V

R

F

T

L

L

M

A

D

E

R

Q

I

V

K

K

A

I

G

G

I

V

R

W

D

E

G

S

G

G

G

G

I

F

P

P

M

L

E

E

F

F

P

P

V

V

H

M

P

S

I

L

Q

G

E
|
E

T

T

G

M

K

L

R

R

P

P

T

T

A

A

A

M

L

L

D

F

R

R

N

N

L

L

A

A

Y

S

L

M

S

D

L

V

V

E

E

E

V

S

L

I

H

R

G

G

Y

N

P

P

I

L

D

D

G

G

V

V

V

V

L

L

T

L

T

M

G

G

C
|
C

D
|
D

K
|
K

T

T

T

T

P

P

A

S

Q

L

L

M

M

M

G

G

A

A

A

A

T

S

V

C

D

D

I

L

P

P

A

T

I

I

A

G

L

V

N

S

G

G

G

G

P

P

M

M

L

L

D

S

G

G

W

K

Y

F

K

R

G

G

K

R

R

E

A

L

G

G

S

S

G

G

T

T

T

D

I

V

W
|
W

E

K

G

M

R

S

R

E

L

E

M

V

A

R

R

A

G

G

E

Q

I

M

G

S

Y

Q

G

E

E

E

F

F

M

F

D

E

L

A

A

E

C

S

A

C

S

M

S

H

P

R

S

S

L

H

G

G

H

H

C
|
C

N

M

T

T

M

M

G

G

T
|
T

A

A

S

S

T

T

M

M

N

A

A

S

M

M

A

V

E

E

A

A

L

L

G

G

M

M

T

S

L

L

P

P

G

G

S

N

S

A

A

A

I

I

P

P

A

A

P

V

F

D

R

A

E

R

R

R

M

N

A

L

M

L

A

A

Y

R

E

A

T

S

G

G

K

R

R

R

C

I

V

V

Q

Q

M

M

V

V

L

K

D

D

D

D

L

L

K

V

P

M

S

S

N

K

I

I

L

L

T

T

R

R

E

Q

A

A

F

F

E

E

N

N

A

A

I

I

V

R

V

V

N

N

A

A

A

A

I

I

G

G

G

G

S

S

T

T

N

N

A

A

P

V

P

I

H

H

L

L

Q

L

A

A

I

I

A

A

R

G

H

R

A

I

G

G

V

V

E

D

L

L

D

T

V

L

T

A

D

D

W

W

E

D

K

A

I

L

G

G

F

H

D

K

V

L

P

P

L

C

M

L

V

V

N

D

M

L

Q

Q

P

P

A

S

G

G

E

T

Y

H

L

L

G

M

E

E

S

D

F

F

Y

Y

R

Y

A

A

G

G

G

G

V

V

P

P

A

A

V

V

M

I

G

R

E

E

L

L

R

G

K

D

A

V

G

-

R

-

L

I

H

A

E

R

G

D

V

A

M

L

T

T

A

V

S

N

G

G

Q

Q

R

T

L

L

G

W

D

D

V

N

L

C

A

K

S

D

W

A

E

P

S

N

L

W

D

N

R

R

D

E

V

V

I

I

T

H

T

A

Y

F

D

N

A

E

P

P

L

F

R

K

D

T

K

E

A

A

G

G

F

I

K

A

V

V

L

L

S

R

G

G

N

N

L

L

F

C

-

P

D

D

S

G

A

A

L

V

M

I

K

K

T

P

S

S

V

A

I

A

S

T

A

P

D

A

F

L

R

L

K

K

R

H

F

-

L

-

S

-

K

-

P

-

G

-

E

-

E

-

G

-

V

-

F

-

E

K

A

G

R

R

A

A

I

V

V

V

F

F

E

E

G

N

P

S

E

E

D

H

Y

M

H

H

D

E

R

R

I

M

N

D

D

D

P

E

D

N

L

L

A

D

I

V

D

D

E

E

N

N

C

C

I

V

L

L

F

V

I

L

R

K

N

N

V

C

G

G

C

P

V

R

G

G

Y

Y

P

P

G

G

S

M

A

A

E
|
E

V

A

V

G

N

N

M

M

Q

P

P

L

P

P

D

P

A

K

L

I

V

L

K

R

A

K

G

G

I

I

N

T

H

D

L

M

P

V

T

R

V

V

G

S

D

D

G

A

R

R

Q

M

S
|
S

G
|
G

T

T

S

A

E

Y

S

G

P

T

S

V

I

V

L

L

N

H

A

V

S

A

P

P

E

E

A

A

V

A

V

A

G

G

G

G

G

P

L

L

A

A

Y

L

L

V

Q

Q

T

D

G

G

D

D

R

I

V

I

R

E

L

L

D

D

L

V

N

A

A

A

S

R

T

K

L

L

N

H

A

L

L

H

V

V

D

S

E

D

A

E

E

E

W

L

E

A

A

R

R

R

K

R

A

E

A

A

W

W

E

Q

A

A

P

P

E

P

I

A

V

P

N

M

Q

A

T

R

P

G

W

W

Q

V

E

K

I

L

Y

Y

R

V

R

E

H

H

V

V

G

Q

Q

Q

L

A

A

N

D

L

G

G

G

A

C

D

L

L

E

D

L

F

A

L

T

R

A

G

Y

-

Q

-

R

K

I

S

A

G

R

A

D

G

L

I

P

P

R

K

D

D

N

N

H

H

binding bicarbonate ion: D119 (= D130), W161 (= W172), T196 (= T207), E442 (= E465), S469 (= S492), S469 (= S492), G470 (= G493)
binding fe2/s2 (inorganic) cluster: C50 (= C61), E82 (= E93), C118 (= C129), D119 (= D130), C191 (= C202)
binding magnesium ion: E82 (= E93), D119 (= D130), K120 (= K131), E442 (= E465)

8epzA Crystal structure of fe-s cluster-dependent dehydratase from paralcaligenes ureilyticus in complex with mn
43% identity, 98% coverage: 11:593/593 of query aligns to 4:569/569 of 8epzA

query
sites
8epzA

R

R

S

S

Q

Q

E

A

W

W

F

F

D

G

N

R

P

L

N

D

N

R

P

D

G

G

M

F

T

-

A

-

L

I

Y

Y

L

R

E

S

R

W

Y

M

Q

K

N

N

Q

R

S

G

F

I

T

P

Q

H

G

D

E

Q

L

F

Q

D

A

G

E

-

K

R

P

P

I

V

I

I

G

G

I

I

A

C

N

N

T

T

G

F

S

S

D

E

L

L

A

T

P

P

C
|
C

N

N

K

S

I

H

H

F

V

R

F

T

L

L

M

A

D

E

R

Q

I

V

K

K

A

I

G

G

I

V

R

W

D

E

G

S

G

G

G

G

I

F

P

P

M

L

E

E

F

F

P

P

V

V

H

M

P

S

I

L

Q

G

E
|
E

T

T

G

M

K

L

R

R

P

P

T

T

A

A

A

M

L

L

D

F

R

R

N

N

L

L

A

A

Y

S

L

M

S

D

L

V

V

E

E

E

V

S

L

I

H

R

G

G

Y

N

P

P

I

L

D

D

G

G

V

V

V

V

L

L

T

L

T

M

G

G

C
|
C

D
|
D

K
|
K

T

T

T

T

P

P

A

S

Q

L

L

M

M

M

G

G

A

A

A

A

T

S

V

C

D

D

I

L

P

P

A

T

I

I

A

G

L

V

N

S

G

G

G

G

P

P

M

M

L

L

D

S

G

G

W

K

Y

F

K

R

G

G

K

R

R

E

A

L

G

G

S

S

G

G

T

T

T

D

I

V

W

W

E

K

G

M

R

S

R

E

L

E

M

V

A

R

R

A

G

G

E

Q

I

M

G

S

Y

Q

G

E

E

E

F

F

M

F

D

E

L

A

A

E

C

S

A

C

S

M

S

H

P

R

S

S

L

H

G

G

H

H

C
|
C

N

M

T

T

M

M

G

G

T

T

A

A

S

S

T

T

M

M

N

A

A

S

M

M

A

V

E

E

A

A

L

L

G

G

M

M

T

S

L

L

P

P

G

G

S

N

S

A

A

A

I

I

P

P

A

A

P

V

F

D

R

A

E

R

R

R

M

N

A

L

M

L

A

A

Y

R

E

A

T

S

G

G

K

R

R

R

C

I

V

V

Q

Q

M

M

V

V

L

K

D

D

D

D

L

L

K

V

P

M

S

S

N

K

I

I

L

L

T

T

R

R

E

Q

A

A

F

F

E

E

N

N

A

A

I

I

V

R

V

V

N

N

A

A

A

A

I

I

G

G

G

G

S

S

T

T

N

N

A

A

P

V

P

I

H

H

L

L

Q

L

A

A

I

I

A

A

R

G

H

R

A

I

G

G

V

V

E

D

L

L

D

T

V

L

T

A

D

D

W

W

E

D

K

A

I

L

G

G

F

H

D

K

V

L

P

P

L

C

M

L

V

V

N

D

M

L

Q

Q

P

P

A

S

G

G

E

T

Y

H

L

L

G

M

E

E

S

D

F

F

Y

Y

R

Y

A

A

G

G

G

G

V

V

P

P

A

A

V

V

M

I

G

R

E

E

L

L

R

G

K

D

A

V

G

-

R

-

L

I

H

A

E

R

G

D

V

A

M

L

T

T

A

V

S

N

G

G

Q

Q

R

T

L

L

G

W

D

D

V

N

L

C

A

K

S

D

W

A

E

P

S

N

L

W

D

N

R

R

D

E

V

V

I

I

T

H

T

A

Y

F

D

N

A

E

P

P

L

F

R

K

D

T

K

E

A

A

G

G

F

I

K

A

V

V

L

L

S

R

G

G

N

N

L

L

F

C

-

P

D

D

S

G

A

A

L

V

M

I

K

K

T

P

S

S

V

A

I

A

S

T

A

P

D

A

F

L

R

L

K

K

R

H

F

-

L

-

S

-

K

-

P

-

G

-

E

-

E

-

G

-

V

-

F

-

E

K

A

G

R

R

A

A

I

V

V

V

F

F

E

E

G

N

P

S

E

E

D

H

Y

M

H

H

D

E

R

R

I

M

N

D

D

D

P

E

D

N

L

L

A

D

I

V

D

D

E

E

N

N

C

C

I

V

L

L

F

V

I

L

R

K

N

N

V

C

G

G

C

P

V

R

G

G

Y

Y

P

P

G

G

S

M

A

A

E
|
E

V

A

V

G

N

N

M

M

Q

P

P

L

P

P

D

P

A

K

L

I

V

L

K

R

A

K

G

G

I

I

N

T

H

D

L

M

P

V

T

R

V

V

G

S

D

D

G

A

R

R

Q

M

S

S

G

G

T

T

S

A

E

Y

S

G

P

T

S

V

I

V

L

L

N

H

A

V

S

A

P

P

E

E

A

A

V

A

V

A

G

G

G

G

G

P

L

L

A

A

Y

L

L

V

Q

Q

T

D

G

G

D

D

R

I

V

I

R

E

L

L

D

D

L

V

N

A

A

A

S

R

T

K

L

L

N

H

A

L

L

H

V

V

D

S

E

D

A

E

E

E

W

L

E

A

A

R

R

R

K

R

A

E

A

A

W

W

E

Q

A

A

P

P

E

P

I

A

V

P

N

M

Q

A

T

R

P

G

W

W

Q

V

E

K

I

L

Y

Y

R

V

R

E

H

H

V

V

G

Q

Q

Q

L

A

A

N

D

L

G

G

G

A

C

D

L

L

E

D

L

F

A

L

T

R

A

G

Y

-

Q

-

R

K

I

S

A

G

R

A

D

G

L

I

P

P

R

K

D

D

N

N

H

H

binding fe2/s2 (inorganic) cluster: C51 (= C61), C119 (= C129), D120 (= D130), C192 (= C202)
binding manganese (ii) ion: E83 (= E93), D120 (= D130), K121 (= K131), E443 (= E465)

9evvD His579leu variant of l-arabinonate dehydratase co-crystallized with 2- oxobutyrate (see paper)
44% identity, 94% coverage: 8:566/593 of query aligns to 5:550/575 of 9evvD

query
sites
9evvD

K

R

R

K

F

L

R

R

S

S

Q

Q

E

E

W

W

F

Y

D

G

N

G

P

T

N

S

N

R

P

-

G

-

M

-

T

D

A

V

L

I

Y

Y

L

H

E

R

R

G

Y

W

-

L

Q

K

N

N

Q

Q

S

G

F

Y

T

P

Q

H

G

-

E

D

L

L

Q

F

A

D

E

G

K

R

P

P

I

V

I

I

G

G

I

I

A

L

N

N

T

T

G

W

S

S

D

D

L

M

A

T

P

P

C
|
C

N

N

K

G

I

H

H

L

V

R

F

E

L

L

M

A

D

E

R

K

I

V

K

K

A

A

G

G

I

V

R

W

D

E

G

A

G

G

G

G

I

F

P

P

M

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

A

M

L

M

D

Y

R

R

N

N

L

L

A

A

Y

A

L

L

S

A

L

V

V

E

E

E

V

A

L

I

H

R

G

G

Y

Q

P

P

I

M

D

D

G

G

V

C

V

V

L

L

T

L

T

V

G

G

C
|
C

D
|
D

K
|
K

T

T

T

T

P

P

A

S

Q

L

L

L

M

M

G

G

A

A

A

A

T

S

V

C

D

D

I

L

P

P

A

S

I

I

A

V

L

V

N

T

G

G

G

G

P

P

M

M

L

L

D

N

G

G

W

Y

Y

F

K

R

G

G

K

E

R

R

A

V

G

G

S

S

G

G

T

T

T

H

I

L

W

W

E

K

G

F

R

S

R

E

L

M

M

V

A

K

R

A

G

G

E

E

I

M

G

T

Y

Q

G

A

E

E

F

F

M

L

D

E

L

A

A

E

C

A

A

S

S

M

S

S

P

R

S

S

L

S

G

G

H
x
T

C
|
C

N

N

T

T

M

M

G

G

T
|
T

A

A

S

S

T

T

M

M

N

A

A

S

M

M

A

A

E

E

A

A

L

L

G

G

M

M

T

A

L

L

P

S

G

G

S

N

S

A

A

A

I

I

P

P

A

G

P

V

F

D

R

S

E

R

R

R

M

K

A

V

M

M

A

A

Y

Q

E

L

T

T

G

G

K

R

R

R

C

I

V

V

Q

Q

M

M

V

V

L

K

D

D

D

D

L

L

K

K

P

P

S

S

N

E

I

I

L

M

T

T

R

K

E

Q

A

A

F

F

E

E

N

N

A

A

I

I

V

R

V

T

N

N

A

A

A

A

I

I

G

G

G

G

S

S

T

T

N

N

A

A

P

V

P

I

H

H

L

L

Q

L

A

A

I

I

A

A

R

G

H

R

A

V

G

G

V

I

E

D

L

L

D

S

V

L

T

D

D

D

W

W

E

D

K

R

I

C

G

G

F

R

D

D

V

V

P

P

L

T

M

I

V

V

N

N

M

L

Q

M

P

P

A

S

G

G

E

K

Y

Y

L

L

G

M

E

E

S

E

F

F

Y

F

R

Y

A

A

G

G

G

G

V

L

P

P

A

V

V

V

M

L

G

K

E

R

L

L

R

G

K

E

A

A

G

G

R

L

L

L

H

H

E

K

G

D

V

A

M

L

T

T

A

V

S

S

G

G

Q

E

R

T

L

V

G

W

D

D

V

E

L

V

A

K

S

D

W

V

E

V

S

N

L

W

D

N

R

E

D

D

V

V

I

I

T

L

T

P

Y

A

D

E

A

K

P

A

L

L

R

T

D

S

K

S

A

G

G

G

F

I

K

V

V

V

L

L

S

R

G

G

N

N

L

L

F

A

-

P

D

K

S

G

A

A

L

V

M

L

K

K

T

P

S

S

V

A

I

A

S

S

A

P

D

H

F

L

R

L

K

-

R

-

F

-

L

-

S

-

K

-

P

-

G

-

E

-

E

-

G

-

V

V

F

H

E

K

A

G

R

R

A

A

I

V

V

V

F

F

E

E

G

D

P

I

E

D

D

D

Y

Y

H

K

D

A

R

K

I

I

N

N

D

D

P

D

D

N

L

L

A

D

I

I

D

D

E

E

N

N

C

C

I

I

L

M

F

V

I

M

R

K

N

N

V

C

G

G

C

P

V

K

G

G

Y

Y

P

P

G

G

S

M

A

A

E
|
E

V

V

V

G

N

N

M

M

Q

G

P

L

P

P

D

P

A

K

L

V

V

L

K

K

A

K

G

G

I

I

N

L

H

D

L

M

P

V

T

R

V

I

G

S

D

D

G

A

R

R

Q

M

S
|
S

G
|
G

T

T

S

A

E

Y

S

G

P

T

S

V

I

V

L

L

N

H

A

T

S

S

P

P

E

E

A

A

V

A

V

V

G

G

G

G

G

P

L

L

A

A

Y

V

L

V

Q

K

T

N

G

G

D

D

R

M

V

I

R

E

L

L

D

D

L

V

N

P

A

N

S

R

T

R

L

L

N

H

A

L

L

D

V

I

D

S

E

D

A

E

E

E

W

L

E

A

A

R

R

R

K

L

A

A

A

E

W

W

E

Q

A

P

P

N

E

H

I

D

V

L

N

P

Q

T

T

S

P

G

W

Y

Q

A

E

F

I

L

Y

H

R

Q

R

Q

H

H

V

V

binding 2-ketobutyric acid: E87 (= E93), D124 (= D130), T201 (= T207), E449 (= E465), S476 (= S492), G477 (= G493)
binding fe2/s2 (inorganic) cluster: C55 (= C61), C123 (= C129), D124 (= D130), T195 (≠ H201), C196 (= C202)
binding magnesium ion: E87 (= E93), D124 (= D130), K125 (= K131), E449 (= E465)

9evvA His579leu variant of l-arabinonate dehydratase co-crystallized with 2- oxobutyrate (see paper)
44% identity, 94% coverage: 8:566/593 of query aligns to 5:550/575 of 9evvA

query
sites
9evvA

K

R

R

K

F

L

R

R

S

S

Q

Q

E

E

W

W

F

Y

D

G

N

G

P

T

N

S

N

R

P

-

G

-

M

-

T

D

A

V

L

I

Y

Y

L

H

E

R

R

G

Y

W

-

L

Q

K

N

N

Q

Q

S

G

F

Y

T

P

Q

H

G

-

E

D

L

L

Q

F

A

D

E

G

K

R

P

P

I

V

I

I

G

G

I

I

A

L

N

N

T

T

G

W

S

S

D

D

L

M

A

T

P

P

C
|
C

N

N

K

G

I

H

H

L

V

R

F

E

L

L

M

A

D

E

R

K

I

V

K

K

A

A

G

G

I

V

R

W

D

E

G

A

G

G

G

G

I

F

P

P

M

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

A

M

L

M

D

Y

R

R

N

N

L

L

A

A

Y

A

L

L

S

A

L

V

V

E

E

E

V

A

L

I

H

R

G

G

Y

Q

P

P

I

M

D

D

G

G

V

C

V

V

L

L

T

L

T

V

G

G

C
|
C

D
|
D

K
|
K

T

T

T

T

P

P

A

S

Q

L

L

L

M

M

G

G

A

A

A

A

T

S

V

C

D

D

I

L

P

P

A

S

I

I

A

V

L

V

N

T

G

G

G

G

P

P

M

M

L

L

D

N

G

G

W

Y

Y

F

K

R

G

G

K

E

R

R

A

V

G

G

S

S

G

G

T

T

T

H

I

L

W

W

E

K

G

F

R

S

R

E

L

M

M

V

A

K

R

A

G

G

E

E

I

M

G

T

Y

Q

G

A

E

E

F

F

M

L

D

E

L

A

A

E

C

A

A

S

S

M

S

S

P

R

S

S

L

S

G

G

H
x
T

C
|
C

N

N

T

T

M

M

G

G

T

T

A

A

S

S

T

T

M

M

N

A

A

S

M

M

A

A

E

E

A

A

L

L

G

G

M

M

T

A

L

L

P

S

G

G

S

N

S

A

A

A

I

I

P

P

A

G

P

V

F

D

R

S

E

R

R

R

M

K

A

V

M

M

A

A

Y

Q

E

L

T

T

G

G

K

R

R

R

C

I

V

V

Q

Q

M

M

V

V

L

K

D

D

D

D

L

L

K

K

P

P

S

S

N

E

I

I

L

M

T

T

R

K

E

Q

A

A

F

F

E

E

N

N

A

A

I

I

V

R

V

T

N

N

A

A

A

A

I

I

G

G

G

G

S

S

T

T

N

N

A

A

P

V

P

I

H

H

L

L

Q

L

A

A

I

I

A

A

R

G

H

R

A

V

G

G

V

I

E

D

L

L

D

S

V

L

T

D

D

D

W

W

E

D

K

R

I

C

G

G

F

R

D

D

V

V

P

P

L

T

M

I

V

V

N

N

M

L

Q

M

P

P

A

S

G

G

E

K

Y

Y

L

L

G

M

E

E

S

E

F

F

Y

F

R

Y

A

A

G

G

G

G

V

L

P

P

A

V

V

V

M

L

G

K

E

R

L

L

R

G

K

E

A

A

G

G

R

L

L

L

H

H

E

K

G

D

V

A

M

L

T

T

A

V

S

S

G

G

Q

E

R

T

L

V

G

W

D

D

V

E

L

V

A

K

S

D

W

V

E

V

S

N

L

W

D

N

R

E

D

D

V

V

I

I

T

L

T

P

Y

A

D

E

A

K

P

A

L

L

R

T

D

S

K

S

A

G

G

G

F

I

K

V

V

V

L

L

S

R

G

G

N

N

L

L

F

A

-

P

D

K

S

G

A

A

L

V

M

L

K

K

T

P

S

S

V

A

I

A

S

S

A

P

D

H

F

L

R

L

K

-

R

-

F

-

L

-

S

-

K

-

P

-

G

-

E

-

E

-

G

-

V

V

F

H

E

K

A

G

R

R

A

A

I

V

V

V

F

F

E

E

G

D

P

I

E

D

D

D

Y

Y

H

K

D

A

R

K

I

I

N

N

D

D

P

D

D

N

L

L

A

D

I

I

D

D

E

E

N

N

C

C

I

I

L

M

F

V

I

M

R

K

N

N

V

C

G

G

C

P

V

K

G

G

Y

Y

P

P

G

G

S

M

A

A

E
|
E

V

V

V

G

N

N

M

M

Q

G

P

L

P

P

D

P

A

K

L

V

V

L

K

K

A

K

G

G

I

I

N

L

H

D

L

M

P

V

T

R

V

I

G

S

D

D

G

A

R

R

Q

M

S

S

G

G

T

T

S

A

E

Y

S

G

P

T

S

V

I

V

L

L

N

H

A

T

S

S

P

P

E

E

A

A

V

A

V

V

G

G

G

G

G

P

L

L

A

A

Y

V

L

V

Q

K

T

N

G

G

D

D

R

M

V

I

R

E

L

L

D

D

L

V

N

P

A

N

S

R

T

R

L

L

N

H

A

L

L

D

V

I

D

S

E

D

A

E

E

E

W

L

E

A

A

R

R

R

K

L

A

A

A

E

W

W

E

Q

A

P

P

N

E

H

I

D

V

L

N

P

Q

T

T

S

P

G

W

Y

Q

A

E

F

I

L

Y

H

R

Q

R

Q

H

H

V

V

binding fe2/s2 (inorganic) cluster: C55 (= C61), N88 (≠ T94), C123 (= C129), D124 (= D130), T195 (≠ H201), C196 (= C202)
binding magnesium ion: E87 (= E93), D124 (= D130), K125 (= K131), E449 (= E465)

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)
44% identity, 94% coverage: 8:566/593 of query aligns to 9:554/579 of B5ZZ34

query
sites
B5ZZ34

K

R

R

K

F

L

R

R

S

S

Q

Q

E

E

W

W

F

Y

D

G

N

G

P

T

N

S

N

R

P

-

G

-

M

-

T

D

A

V

L

I

Y

Y

L

H

E

R

R

G

Y

W

-

L

Q

K

N

N

Q

Q

S

G

F

Y

T

P

Q

H

G

-

E

D

L

L

Q

F

A

D

E

G

K

R

P

P

I

V

I

I

G

G

I

I

A

L

N

N

T

T

G

W

S

S

D

D

L

M

A

T

P

P

C
|
C

N

N

K

G

I

H

H

L

V

R

F

E

L

L

M

A

D

E

R

K

I

V

K

K

A

A

G

G

I

V

R

W

D

E

G

A

G

G

G

G

I

F

P

P

M

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

A

M

L

M

D

Y

R

R

N

N

L

L

A

A

Y

A

L

L

S

A

L

V

V

E

E

E

V

A

L

I

H

R

G

G

Y

Q

P

P

I

M

D

D

G

G

V

C

V

V

L

L

T

L

T

V

G

G

C
|
C

D
|
D

K

K

T

T

T

T

P

P

A

S

Q

L

L

L

M

M

G

G

A

A

A

A

T

S

V

C

D

D

I

L

P

P

A

S

I

I

A

V

L

V

N

T

G

G

G

G

P

P

M

M

L

L

D

N

G

G

W

Y

Y

F

K

R

G

G

K

E

R

R

A

V

G

G

S

S

G

G

T

T

T

H

I

L

W

W

E

K

G

F

R

S

R

E

L

M

M

V

A

K

R

A

G

G

E

E

I

M

G

T

Y

Q

G

A

E

E

F

F

M

L

D

E

L

A

A

E

C

A

A

S

S

M

S

S

P

R

S

S

L

S

G

G

H

T

C
|
C

N

N

T

T

M

M

G

G

T

T

A

A

S

S

T

T

M

M

N

A

A

S

M

M

A

A

E

E

A

A

L

L

G

G

M

M

T

A

L

L

P

S

G

G

S

N

S

A

A

A

I

I

P

P

A

G

P

V

F

D

R

S

E

R

R

R

M

K

A

V

M

M

A

A

Y

Q

E

L

T

T

G

G

K

R

R

R

C

I

V

V

Q

Q

M

M

V

V

L

K

D

D

D

D

L

L

K

K

P

P

S

S

N

E

I

I

L

M

T

T

R

K

E

Q

A

A

F

F

E

E

N

N

A

A

I

I

V

R

V

T

N

N

A

A

A

A

I

I

G

G

G

G

S

S

T

T

N

N

A

A

P

V

P

I

H

H

L

L

Q

L

A

A

I

I

A

A

R

G

H

R

A

V

G

G

V

I

E

D

L

L

D

S

V

L

T

D

D

D

W

W

E

D

K

R

I

C

G

G

F

R

D

D

V

V

P

P

L

T

M

I

V

V

N

N

M

L

Q

M

P

P

A

S

G

G

E

K

Y

Y

L

L

G

M

E

E

S

E

F

F

Y

F

R

Y

A

A

G

G

G

G

V

L

P

P

A

V

V

V

M

L

G

K

E

R

L

L

R

G

K

E

A

A

G

G

R

L

L

L

H

H

E

K

G

D

V

A

M

L

T

T

A

V

S

S

G

G

Q

E

R

T

L

V

G

W

D

D

V

E

L

V

A

K

S

D

W

V

E

V

S

N

L

W

D

N

R

E

D

D

V

V

I

I

T

L

T

P

Y

A

D

E

A

K

P

A

L

L

R

T

D

S

K

S

A

G

G

G

F

I

K

V

V

V

L

L

S

R

G

G

N

N

L

L

F

A

-

P

D

K

S

G

A

A

L

V

M

L

K

K

T

P

S

S

V

A

I

A

S

S

A

P

D

H

F

L

R

L

K

-

R

-

F

-

L

-

S

-

K

-

P

-

G

-

E

-

E

-

G

-

V

V

F

H

E

K

A

G

R

R

A

A

I

V

V

V

F

F

E

E

G

D

P

I

E

D

D

D

Y

Y

H

K

D

A

R

K

I

I

N

N

D

D

P

D

D

N

L

L

A

D

I

I

D

D

E

E

N

N

C
|
C

I

I

L

M

F

V

I

M

R

K

N

N

V
x
C

G

G

C

P

V

K

G

G

Y

Y

P

P

G

G

S

M

A

A

E
|
E

V

V

V

G

N

N

M

M

Q

G

P

L

P

P

D

P

A

K

L

V

V

L

K

K

A

K

G

G

I

I

N

L

H

D

L

M

P

V

T

R

V

I

G

S

D

D

G

A

R

R

Q

M

S
|
S

G

G

T

T

S

A

E

Y

S

G

P

T

S

V

I

V

L

L

N

H

A

T

S

S

P

P

E

E

A

A

V

A

V

V

G

G

G

G

G

P

L

L

A

A

Y

V

L

V

Q

K

T

N

G

G

D

D

R

M

V

I

R

E

L

L

D

D

L

V

N

P

A

N

S

R

T

R

L

L

N

H

A

L

L

D

V

I

D

S

E

D

A

E

E

E

W

L

E

A

A

R

R

R

K

L

A

A

A

E

W

W

E

Q

A

P

P

N

E

H

I

D

V

L

N

P

Q

T

T

S

P

G

W

Y

Q

A

E

F

I

L

Y

H

R

Q

R

Q

H

H

V

V

C59 (= C61) binding [2Fe-2S] cluster; mutation to S: Loss of activity. Does not bind iron-sulfur cluster.
E91 (= E93) binding Mg(2+)
C127 (= C129) binding [2Fe-2S] cluster; mutation to S: Loss of activity. Does not bind iron-sulfur cluster.
D128 (= D130) binding Mg(2+)
C200 (= C202) binding [2Fe-2S] cluster; mutation to S: Almost loss of activity. Does not bind iron-sulfur cluster.
C436 (= C448) mutation to S: No change in activity. Does not affect binding of iron-sulfur cluster.
C443 (≠ V455) mutation to S: Slight decrease in activity. Does not affect binding of iron-sulfur cluster.
E453 (= E465) binding Mg(2+)
S480 (= S492) mutation to A: Loss of activity.

5j85A Ser480ala mutant of l-arabinonate dehydratase (see paper)
44% identity, 94% coverage: 8:566/593 of query aligns to 6:551/576 of 5j85A

query
sites
5j85A

K

R

R

K

F

L

R

R

S

S

Q

Q

E

E

W

W

F

Y

D

G

N

G

P

T

N

S

N

R

P

-

G

-

M

-

T

D

A

V

L

I

Y

Y

L

H

E

R

R

G

Y

W

-

L

Q

K

N

N

Q

Q

S

G

F

Y

T

P

Q

H

G

-

E

D

L

L

Q

F

A

D

E

G

K

R

P

P

I

V

I

I

G

G

I

I