SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_061942322.1 NCBI__GCF_001584185.1:WP_061942322.1 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)

Q1JUQ1 L-arabonate dehydratase; L-arabinonate dehydratase; EC 4.2.1.25 from Azospirillum brasilense (see paper)
81% identity, 100% coverage: 1:581/581 of query aligns to 1:583/583 of Q1JUQ1

query
sites
Q1JUQ1

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C47 (= C48) mutation to A: 2-fold reduction in activity and still binds a 4Fe-4S cluster.
C56 (= C57) mutation to A: Loss of activity but seems to be able to bind a Fe-S cluster.
C124 (= C125) binding [4Fe-4S] cluster; mutation to A: Loss of activity and no 4Fe-4S cluster binding.
C197 (= C198) 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.

8ej0A Crystal structure of fe-s cluster-dependent dehydratase from paralcaligenes ureilyticus in complex with mg (see paper)
66% identity, 98% coverage: 10:581/581 of query aligns to 3:568/568 of 8ej0A

query
sites
8ej0A

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binding bicarbonate ion: D119 (= D126), W161 (= W168), T196 (= T203), E442 (= E452), S469 (= S479), S469 (= S479), G470 (= G480)
binding fe2/s2 (inorganic) cluster: C50 (= C57), E82 (= E89), C118 (= C125), D119 (= D126), C191 (= C198)
binding magnesium ion: E82 (= E89), D119 (= D126), K120 (= K127), E442 (= E452)

8epzA Crystal structure of fe-s cluster-dependent dehydratase from paralcaligenes ureilyticus in complex with mn
66% identity, 98% coverage: 10:581/581 of query aligns to 4:569/569 of 8epzA

query
sites
8epzA

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S

S

M

M

D

D

V

V

E

E

E

E

S

S

I

I

R

R

G

G

N

N

P

P

M

L

D

D

A

G

V

V

V

V

L

L

L

L

V

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

E

R

G

G

K

R

D

E

L

L

G

G

S

S

G

G

T

T

A

D

V

V

W

W

Q

K

L

M

S

S

E

E

A

E

V

V

K

R

G

A

G

G

Q

Q

I

M

S

S

M

Q

H

E

Q

E

F

F

L

F

A

E

A

A

E

E

S

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

I

I

V

V

D

Q

M

M

V

V

W

K

E

D

D

D

L

L

R

V

L

M

S

S

K

K

I

I

L

L

T

T

R

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

A

G

R

R

I

I

G

G

V

V

P

D

L

L

E

T

L

L

E

A

D

D

W

W

T

D

R

A

I

L

G

G

R

H

G

K

T

L

P

P

T

C

L

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

G

A

V

V

L

I

R

R

R

E

L

L

G

G

E

D

A

-

D

-

L

-

L

V

P

I

H

A

K

R

D

D

A

A

L

L

T

T

V

V

N

N

G

G

K

Q

T

T

L

L

W

W

E

D

N

N

N

C

Q

K

E

D

A

A

P

P

I

N

Y

W

N

N

D

R

E

E

V

V

I

I

R

H

V

A

I

F

D

N

K

E

P

P

L

F

I

K

A

T

D

E

G

A

G

G

I

I

C

A

I

V

L

L

R

R

G

G

N

N

L

L

A

C

P

P

R

D

G

G

A

A

V

V

L

I

K

K

P

P

S

S

A

A

A

A

T

T

P

P

E

A

L

L

M

L

K

K

H

H

R

K

G

G

K

R

A

A

V

V

V

V

F

F

E

E

D

N

F

S

D

E

H

H

Y

M

K

H

K

E

R

R

I

M

N

D

D

D

P

E

E

N

L

L

E

D

V

V

D

D

A

E

S

N

S

C

V

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

P

P

K

K

L

I

L

L

A

R

Q

K

G

G

I

I

K

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

G

A

I

L

V

V

E

Q

D

D

G

G

D

D

W

I

I

I

E

E

L

L

D

D

C

V

E

A

A

A

G

R

R

K

L

L

H

H

L

L

D

H

I

V

S

S

D

D

A

E

E

E

M

L

A

A

Q

R

R

R

Q

-

V

-

A

-

R

R

E

E

A

A

V

W

N

Q

A

A

E

P

T

P

V

A

T

P

A

M

H

A

S

R

G

G

Y

W

Q

V

R

K

L

L

Y

Y

I

V

D

E

R

H

V

V

L

Q

Q

Q

A

A

D

N

E

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

S

A

A

G

V

I

P

P

K

K

H

D

S

N

H

H

binding fe2/s2 (inorganic) cluster: C51 (= C57), C119 (= C125), D120 (= D126), C192 (= C198)
binding manganese (ii) ion: E83 (= E89), D120 (= D126), K121 (= K127), E443 (= E452)

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)
64% identity, 99% coverage: 7:581/581 of query aligns to 9:579/579 of B5ZZ34

query
sites
B5ZZ34

R

R

P

K

L

L

R

R

S

S

A

Q

E

E

W

W

F

Y

G

G

S

G

N

T

D

S

K

R

N

D

G

V

M

I

M

Y

Y

H

R

R

S

G

W

W

M

L

K

K

N

N

Q

Q

G

G

I

Y

P

P

D

H

H

D

E

L

F

F

Q

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

K

E

I

L

A

A

E

E

H

K

V

V

K

K

R

A

G

G

I

V

F

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

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

S

A

I

I

R

R

G

G

N

Q

P

P

M

M

D

D

A

G

V

C

V

V

L

L

L

L

V

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

E

R

G

G

K

E

D

R

L

V

G

G

S

S

G

G

T

T

A

H

V

L

W

W

Q

K

L

F

S

S

E

E

A

M

V

V

K

K

G

A

G

G

Q

E

I

M

S

T

M

Q

H

A

Q

E

F

F

L

L

A

E

A

A

E

E

S

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

I

I

V

V

D

Q

M

M

V

V

W

K

E

D

D

D

L

L

R

K

L

P

S

S

K

E

I

I

L

M

T

T

R

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

A

G

R

R

I

V

G

G

V

I

P

D

L

L

E

S

L

L

E

D

D

D

W

W

T

D

R

R

I

C

G

G

R

R

G

D

T

V

P

P

T

T

L

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

G

V

V

V

L

L

R

K

R

R

L

L

G

G

E

E

A

A

D

G

L

L

L

L

P

-

H

H

K

K

D

D

A

A

L

L

T

T

V

V

N

S

G

G

K

E

T

T

L

V

W

W

E

D

N

E

N

V

Q

K

E

D

A

V

P

V

I

N

Y

W

N

N

D

E

E

D

V

V

I

I

R

L

V

P

I

A

D

E

K

K

P

A

L

L

I

T

A

S

D

S

G

G

G

G

I

I

C

V

I

V

L

L

R

R

G

G

N

N

L

L

A

A

P

P

R

K

G

G

A

A

V

V

L

L

K

K

P

P

S

S

A

A

A

A

T

S

P

P

E

H

L

L

M

L

K

V

H

H

R

K

G

G

K

R

A

A

V

V

V

V

F

F

E

E

D

D

F

I

D

D

H

D

Y

Y

K

K

K

A

R

K

I

I

N

N

D

D

P

D

E

N

L

L

E

D

V

I

D

D

A

E

S

N

S
x
C

V

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

P

P

K

K

L

V

L

L

A

K

Q

K

G

G

I

I

K

L

D

D

M

M

V

V

R

R

I

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

V

T

A

S

P

P

E

E

A

A

A

A

A

V

G

G

G

G

P

P

L

L

G

A

I

V

V

V

E

K

D

N

G

G

D

D

W

M

I

I

E

E

L

L

D

D

C

V

E

P

A

N

G

R

R

R

L

L

H

H

L

L

D

D

I

I

S

S

D

D

A

E

E

E

M

L

A

A

Q

-

R

R

Q

R

V

L

A

A

R

E

E

W

A

Q

V

P

N

N

A

H

E

D

T

L

V

P

T

T

A

-

H

-

S

S

G

G

Y

Y

Q

A

R

F

L

L

Y

H

I

Q

D

Q

R

H

V

V

L

E

Q

G

A

A

D

D

E

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

S

N

A

A

V

V

P

G

K

K

H

D

S

S

H

H

C59 (= C57) binding [2Fe-2S] cluster; mutation to S: Loss of activity. Does not bind iron-sulfur cluster.
E91 (= E89) binding Mg(2+)
C127 (= C125) binding [2Fe-2S] cluster; mutation to S: Loss of activity. Does not bind iron-sulfur cluster.
D128 (= D126) binding Mg(2+)
C200 (= C198) 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.

5j85A Ser480ala mutant of l-arabinonate dehydratase (see paper)
64% identity, 99% coverage: 7:581/581 of query aligns to 6:576/576 of 5j85A

query
sites
5j85A

R

R

P

K

L

L

R

R

S

S

A

Q

E

E

W

W

F

Y

G

G

S

G

N

T

D

S

K

R

N

D

G

V

M

I

M

Y

Y

H

R

R

S

G

W

W

M

L

K

K

N

N

Q

Q

G

G

I

Y

P

P

D

H

H

D

E

L

F

F

Q

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

K

E

I

L

A

A

E

E

H

K

V

V

K

K

R

A

G

G

I

V

F

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

S

A

I

I

R

R

G

G

N

Q

P

P

M

M

D

D

A

G

V

C

V

V

L

L

L

L

V

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

E

R

G

G

K

E

D

R

L

V

G

G

S

S

G

G

T

T

A

H

V

L

W

W

Q

K

L

F

S

S

E

E

A

M

V

V

K

K

G

A

G

G

Q

E

I

M

S

T

M

Q

H

A

Q

E

F

F

L

L

A

E

A

A

E

E

S

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

I

I

V

V

D

Q

M

M

V

V

W

K

E

D

D

D

L

L

R

K

L

P

S

S

K

E

I

I

L

M

T

T

R

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

A

G

R

R

I

V

G

G

V

I

P

D

L

L

E

S

L

L

E

D

D

D

W

W

T

D

R

R

I

C

G

G

R

R

G

D

T

V

P

P

T

T

L

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

G

V

V

V

L

L

R

K

R

R

L

L

G

G

E

E

A

A

D

G

L

L

L

L

P

-

H

H

K

K

D

D

A

A

L

L

T

T

V

V

N

S

G

G

K

E

T

T

L

V

W

W

E

D

N

E

N

V

Q

K

E

D

A

V

P

V

I

N

Y

W

N

N

D

E

E

D

V

V

I

I

R

L

V

P

I

A

D

E

K

K

P

A

L

L

I

T

A

S

D

S

G

G

G

G

I

I

C

V

I

V

L

L

R

R

G

G

N

N

L

L

A

A

P

P

R

K

G

G

A

A

V

V

L

L

K

K

P

P

S

S

A

A

A

A

T

S

P

P

E

H

L

L

M

L

K

V

H

H

R

K

G

G

K

R

A

A

V

V

V

V

F

F

E

E

D

D

F

I

D

D

H

D

Y

Y

K

K

K

A

R

K

I

I

N

N

D

D

P

D

E

N

L

L

E

D

V

I

D

D

A

E

S

N

S

C

V

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

P

P

K

K

L

V

L

L

A

K

Q

K

G

G

I

I

K

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

G

A

I

V

V

V

E

K

D

N

G

G

D

D

W

M

I

I

E

E

L

L

D

D

C

V

E

P

A

N

G

R

R

R

L

L

H

H

L

L

D

D

I

I

S

S

D

D

A

E

E

E

M

L

A

A

Q

-

R

R

Q

R

V

L

A

A

R

E

E

W

A

Q

V

P

N

N

A

H

E

D

T

L

V

P

T

T

A

-

H

-

S

S

G

G

Y

Y

Q

A

R

F

L

L

Y

H

I

Q

D

Q

R

H

V

V

L

E

Q

G

A

A

D

D

E

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

S

N

A

A

V

V

P

G

K

K

H

D

S

S

H

H

binding fe2/s2 (inorganic) cluster: C56 (= C57), N89 (≠ S90), C124 (= C125), D125 (= D126), T196 (= T197), C197 (= C198)
binding magnesium ion: E88 (= E89), D125 (= D126), K126 (= K127), T202 (= T203), E450 (= E452)

9evvD His579leu variant of l-arabinonate dehydratase co-crystallized with 2- oxobutyrate (see paper)
64% identity, 99% coverage: 7:580/581 of query aligns to 5:574/575 of 9evvD

query
sites
9evvD

R

R

P

K

L

L

R

R

S

S

A

Q

E

E

W

W

F

Y

G

G

S

G

N

T

D

S

K

R

N

D

G

V

M

I

M

Y

Y

H

R

R

S

G

W

W

M

L

K

K

N

N

Q

Q

G

G

I

Y

P

P

D

H

H

D

E

L

F

F

Q

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

K

E

I

L

A

A

E

E

H

K

V

V

K

K

R

A

G

G

I

V

F

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

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

S

A

I

I

R

R

G

G

N

Q

P

P

M

M

D

D

A

G

V

C

V

V

L

L

L

L

V

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

E

R

G

G

K

E

D

R

L

V

G

G

S

S

G

G

T

T

A

H

V

L

W

W

Q

K

L

F

S

S

E

E

A

M

V

V

K

K

G

A

G

G

Q

E

I

M

S

T

M

Q

H

A

Q

E

F

F

L

L

A

E

A

A

E

E

S

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

I

I

V

V

D

Q

M

M

V

V

W

K

E

D

D

D

L

L

R

K

L

P

S

S

K

E

I

I

L

M

T

T

R

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

A

G

R

R

I

V

G

G

V

I

P

D

L

L

E

S

L

L

E

D

D

D

W

W

T

D

R

R

I

C

G

G

R

R

G

D

T

V

P

P

T

T

L

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

G

V

V

V

L

L

R

K

R

R

L

L

G

G

E

E

A

A

D

G

L

L

L

L

P

-

H

H

K

K

D

D

A

A

L

L

T

T

V

V

N

S

G

G

K

E

T

T

L

V

W

W

E

D

N

E

N

V

Q

K

E

D

A

V

P

V

I

N

Y

W

N

N

D

E

E

D

V

V

I

I

R

L

V

P

I

A

D

E

K

K

P

A

L

L

I

T

A

S

D

S

G

G

G

G

I

I

C

V

I

V

L

L

R

R

G

G

N

N

L

L

A

A

P

P

R

K

G

G

A

A

V

V

L

L

K

K

P

P

S

S

A

A

A

A

T

S

P

P

E

H

L

L

M

L

K

V

H

H

R

K

G

G

K

R

A

A

V

V

V

V

F

F

E

E

D

D

F

I

D

D

H

D

Y

Y

K

K

K

A

R

K

I

I

N

N

D

D

P

D

E

N

L

L

E

D

V

I

D

D

A

E

S

N

S

C

V

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

P

P

K

K

L

V

L

L

A

K

Q

K

G

G

I

I

K

L

D

D

M

M

V

V

R

R

I

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

V

T

A

S

P

P

E

E

A

A

A

A

A

V

G

G

G

G

P

P

L

L

G

A

I

V

V

V

E

K

D

N

G

G

D

D

W

M

I

I

E

E

L

L

D

D

C

V

E

P

A

N

G

R

R

R

L

L

H

H

L

L

D

D

I

I

S

S

D

D

A

E

E

E

M

L

A

A

Q

-

R

R

Q

R

V

L

A

A

R

E

E

W

A

Q

V

P

N

N

A

H

E

D

T

L

V

P

T

T

A

-

H

-

S

S

G

G

Y

Y

Q

A

R

F

L

L

Y

H

I

Q

D

Q

R

H

V

V

L

E

Q

G

A

A

D

D

E

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

S

N

A

A

V

V

P

G

K

K

H

D

S

S

binding 2-ketobutyric acid: E87 (= E89), D124 (= D126), T201 (= T203), E449 (= E452), S476 (= S479), G477 (= G480)
binding fe2/s2 (inorganic) cluster: C55 (= C57), C123 (= C125), D124 (= D126), T195 (= T197), C196 (= C198)
binding magnesium ion: E87 (= E89), D124 (= D126), K125 (= K127), E449 (= E452)

9evvA His579leu variant of l-arabinonate dehydratase co-crystallized with 2- oxobutyrate (see paper)
64% identity, 99% coverage: 7:580/581 of query aligns to 5:574/575 of 9evvA

query
sites
9evvA

R

R

P

K

L

L

R

R

S

S

A

Q

E

E

W

W

F

Y

G

G

S

G

N

T

D

S

K

R

N

D

G

V

M

I

M

Y

Y

H

R

R

S

G

W

W

M

L

K

K

N

N

Q

Q

G

G

I

Y

P

P

D

H

H

D

E

L

F

F

Q

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

K

E

I

L

A

A

E

E

H

K

V

V

K

K

R

A

G

G

I

V

F

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

S

A

I

I

R

R

G

G

N

Q

P

P

M

M

D

D

A

G

V

C

V

V

L

L

L

L

V

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

E

R

G

G

K

E

D

R

L

V

G

G

S

S

G

G

T

T

A

H

V

L

W

W

Q

K

L

F

S

S

E

E

A

M

V

V

K

K

G

A

G

G

Q

E

I

M

S

T

M

Q

H

A

Q

E

F

F

L

L

A

E

A

A

E

E

S

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

I

I

V

V

D

Q

M

M

V

V

W

K

E

D

D

D

L

L

R

K

L

P

S

S

K

E

I

I

L

M

T

T

R

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

A

G

R

R

I

V

G

G

V

I

P

D

L

L

E

S

L

L

E

D

D

D

W

W

T

D

R

R

I

C

G

G

R

R

G

D

T

V

P

P

T

T

L

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

G

V

V

V

L

L

R

K

R

R

L

L

G

G

E

E

A

A

D

G

L

L

L

L

P

-

H

H

K

K

D

D

A

A

L

L

T

T

V

V

N

S

G

G

K

E

T

T

L

V

W

W

E

D

N

E

N

V

Q

K

E

D

A

V

P

V

I

N

Y

W

N

N

D

E

E

D

V

V

I

I

R

L

V

P

I

A

D

E

K

K

P

A

L

L

I

T

A

S

D

S

G

G

G

G

I

I

C

V

I

V

L

L

R

R

G

G

N

N

L

L

A

A

P

P

R

K

G

G

A

A

V

V

L

L

K

K

P

P

S

S

A

A

A

A

T

S

P

P

E

H

L

L

M

L

K

V

H

H

R

K

G

G

K

R

A

A

V

V

V

V

F

F

E

E

D

D

F

I

D

D

H

D

Y

Y

K

K

K

A

R

K

I

I

N

N

D

D

P

D

E

N

L

L

E

D

V

I

D

D

A

E

S

N

S

C

V

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

P

P

K

K

L

V

L

L

A

K

Q

K

G

G

I

I

K

L

D

D

M

M

V

V

R

R

I

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

V

T

A

S

P

P

E

E

A

A

A

A

A

V

G

G

G

G

P

P

L

L

G

A

I

V

V

V

E

K

D

N

G

G

D

D

W

M

I

I

E

E

L

L

D

D

C

V

E

P

A

N

G

R

R

R

L

L

H

H

L

L

D

D

I

I

S

S

D

D

A

E

E

E

M

L

A

A

Q

-

R

R

Q

R

V

L

A

A

R

E

E

W

A

Q

V

P

N

N

A

H

E

D

T

L

V

P

T

T

A

-

H

-

S

S

G

G

Y

Y

Q

A

R

F

L

L

Y

H

I

Q

D

Q

R

H

V

V

L

E

Q

G

A

A

D

D

E

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

S

N

A

A

V

V

P

G

K

K

H

D

S

S

binding fe2/s2 (inorganic) cluster: C55 (= C57), N88 (≠ S90), C123 (= C125), D124 (= D126), T195 (= T197), C196 (= C198)
binding magnesium ion: E87 (= E89), D124 (= D126), K125 (= K127), E449 (= E452)

7m3kA Crystal structure of galactonate dehydratase from brucella melitensis biovar abortus 2308
48% identity, 91% coverage: 9:537/581 of query aligns to 2:542/587 of 7m3kA

query
sites
7m3kA

L

L

R

R

S

S

A

R

E

A

W

W

F

F

G

D

S

N

N

P

D

D

K

D

N

V

G

D

M

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

P

S

D

Q

H

E

E

E

F

L

Q

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

K

E

I

L

A

A

E

K

H

R

V

V

K

R

R

D

G

G

I

V

F

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

S

V

I

L

R

Y

G

G

N

Y

P

P

M

L

D

D

A

G

V

V

V

V

L

L

L

T

V

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

E

R

G

G

K

E

D

R

L

T

G

G

S

S

G

G

T

T

A

I

V

V

W

W

Q

K

L

A

S

R

E

E

A

L

V

L

K

A

G

K

G

G

Q

E

I

I

S

D

M

Y

H

Q

Q

G

F

F

L

V

A

K

A

L

E

V

S

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

I

I

V

V

D

E

M

M

V

V

W

H

E

E

D

D

L

L

R

K

L

P

S

S

K

D

I

I

L

L

T

T

R

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

A

R

R

H

I

I

G

G

V

V

P

E

L

L

E

T

L

V

E

D

D

D

W

W

T

Q

R

K

I

Y

G

G

R

E

G

E

T

I

P

P

T

L

L

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

G

A

V

V

L

V

R

N

R

Q

L

L

G

M

E

G

A

Q

D

G

L

L

L

I

P

-

H

H

K

E

D

D

A

A

L

I

T

T

V

V

N

N

G

G

K

K

T

T

L

I

W

G

E

E

N

N

N

C

Q

K

E

N

A

A

P

T

I

I

Y

E

N

D

D

G

E

N

V

V

I

I

R

K

V

T

I

Y

D

D

K

Q

P

P

L

L

I

K

A

K

D

H

G

A

G

G

I

F

C

R

I

V

L

L

R

R

G

G

N

N

L

L

A

F

P

-

R

S

G

S

A

A

V

I

L

M

K

K

P

L

S

S

A

V

A

I

T

S

P

D

E

E

L

F

M

R

K

N

H

R

-

Y

-

L

-

S

-

D

-

A

-

K

-

D

-

P

-

N

-

A

-

F

R

E

G

G

K

K

A

A

V

V

V

V

F

F

E

D

D

G

F

P

D

E

H

D

Y

Y

K

H

K

H

R

R

I

I

N

D

D

D

P

P

E

A

L

L

E

E

V

I

D

D

A

E

S

H

S

T

V

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

P

D

K

Y

L

L

L

L

A

K

Q

K

G

G

I

I

K

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

G

A

I

I

V

L

E

K

D

T

G

G

D

D

W

R

I

V

E

R

L

I

D

D

C

L

E

G

A

R

G

G

R

T

L

A

H

D

L

I

D

L

I

I

S

S

D

D

A

E

E

E

M

L

A

A

Q

E

R

R

Q

R

V

K

A

A

R

L

E

E

A

A

V

V

binding zinc ion: C53 (= C57), C121 (= C125)

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)
42% identity, 99% coverage: 7:581/581 of query aligns to 11:595/595 of Q9A9Z2

query
sites
Q9A9Z2

R

R

P

R

L

F

R

R

S

S

A

R

E

D

W

W

F

F

G

D

S

N

N

P

D

D

K

H

N

I

G

D

M

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

P

T

D

P

H

E

E

E

F

L

Q

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

K

D

I

L

A

V

E

Q

H

R

V

V

K

R

R

D

G

G

I

I

F

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

S

T

I

L

R

H

G

G

N

Y

P

P

M

I

D

D

A

A

V

V

V

V

L

L

L

T

V

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

E

E

G

N

K

E

D

L

L

V

G

G

S

S

G

G

T

T

A

V

V

I

W

W

Q

R

L

S

S

R

E

R

A

K

V

L

K

A

G

A

G

G

Q

E

I

I

S

T

M

E

H

E

Q

E

F

F

L

I

A

D

A

R

E

A

S

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

I

I

V

V

D

D

M

L

V

A

W

Y

E

D

D

D

L

V

R

K

L

P

S

L

K

D

I

I

L

L

T

T

R

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

A

R

R

H

I

A

G

G

V

V

P

E

L

I

E

T

L

A

E

D

D

D

W

W

T

-

R

R

I

A

G

A

R

Y

G

D

T

I

P

P

T

L

L

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

G

A

V

V

L

L

R

W

R

E

L

L

G

L

E

Q

A

Q

D

G

L

R

L

L

P

-

H

H

K

G

D

D

A

V

L

L

T

T

V

V

N

T

G

G

K

K

T

T

L

M

W

S

E

E

N

N

N

L

Q

Q

E

G

A

R

P

E

I

T

Y

S

N

D

D

R

E

E

V

V

I

I

R

F

V

P

I

Y

D

H

K

E

P

P

L

L

I

A

A

E

D

K

G

A

G

G

I

F

C

L

I

V

L

L

R

K

G

G

N

N

L

L

A

F

P

D

R

F

G

-

A

A

V

I

L

M

K

K

P

S

S

S

A

V

A

I

T

G

P

E

E

E

L

F

M

R

K

K

H

R

-

Y

-

L

-

S

-

Q

-

P

-

G

-

Q

-

E

-

G

-

V

-

F

R

E

G

A

K

R

A

A

V

I

V

V

F

F

E

D

D

G

F

S

D

D

H

D

Y

Y

K

H

K

K

R

R

I

I

N

N

D

D

P

P

E

A

L

L

E

E

V

I

D

D

A

E

S

R

S
x
C

V

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

P

D

K

H

L

L

L

L

A

K

Q

K

G

G

I

I

K

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

G

S

I

W

V

L

E

R

D

T

G

G

D

D

W

T

I

I

E

R

L

I

D

D

C

L

E

N

A

T

G

G

R

R

L

C

H

D

L

A

D

L

I

V

S

D

D

E

A

A

E

T

M

I

A

A

Q

A

R

R

Q

K

V

-

A

-

R

Q

E

D

A

G

V

I

N

P

A

A

E

V

T

P

V

A

T

T

A

M

H

-

S

T

G

P

Y

W

Q

Q

R

E

L

I

Y

Y

I

R

D

A

R

H

V

A

L

S

Q

Q

A

L

D

D

E

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

S

A

A

K

V

L

P

P

K

R

H

H

S

N

H

H

C64 (= C57) binding [2Fe-2S] cluster; mutation to S: Strong decrease in activity. Does not bind iron-sulfur cluster.
E96 (= E89) binding Mg(2+)
C132 (= C125) binding [2Fe-2S] cluster; mutation to S: Almost loss of activity. Does not bind iron-sulfur cluster.
D133 (= D126) binding Mg(2+)
C205 (= C198) 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: 7:581/581 of query aligns to 5:589/589 of 5oynA

query
sites
5oynA

R

R

P

R

L

F

R

R

S

S

A

R

E

D

W

W

F

F

G

D

S

N

N

P

D

D

K

H

N

I

G

D

M

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

P

T

D

P

H

E

E

E

F

L

Q

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

K

D

I

L

A

V

E

Q

H

R

V

V

K

R

R

D

G

G

I

I

F

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

S

T

I

L

R

H

G

G

N

Y

P

P

M

I

D

D

A

A

V

V

V

V

L

L

L

T

V

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

E

E

G

N

K

E

D

L

L

V

G

G

S

S

G

G

T

T

A

V

V

I

W

W

Q

R

L

S

S

R

E

R

A

K

V

L

K

A

G

A

G

G

Q

E

I

I

S

T

M

E

H

E

Q

E

F

F

L

I

A

D

A

R

E

A

S

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

I

I

V

V

D

D

M

L

V

A

W

Y

E

D

D

D

L

V

R

K

L

P

S

L

K

D

I

I

L

L

T

T

R

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

A

R

R

H

I

A

G

G

V

V

P

E

L

I

E

T

L

A

E

D

D

D

W

W

T

-

R

R

I

A

G

A

R

Y

G

D

T

I

P

P

T

L

L

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

G

A

V

V

L

L

R

W

R

E

L

L

G

L

E

Q

A

Q

D

G

L

R

L

L

P

-

H

H

K

G

D

D

A

V

L

L

T

T

V

V

N

T

G

G

K

K

T

T

L

M

W

S

E

E

N

N

N

L

Q

Q

E

G

A

R

P

E

I

T

Y

S

N

D

D

R

E

E

V

V

I

I

R

F

V

P

I

Y

D

H

K

E

P

P

L

L

I

A

A

E

D

K

G

A

G

G

I

F

C

L

I

V

L

L

R

K

G

G

N

N

L

L

A

F

P

D

R

F

G

-

A

A

V

I

L

M

K

K

P

S

S

S

A

V

A

I

T

G

P

E

E

E

L

F

M

R

K

K

H

R

-

Y

-

L

-

S

-

Q

-

P

-

G

-

Q

-

E

-

G

-

V

-

F

R

E

G

A

K

R

A

A

V

I

V

V

F

F

E

D

D

G

F

S

D

D

H

D

Y

Y

K

H

K

K

R

R

I

I

N

N

D

D

P

P

E

A

L

L

E

E

V

I

D

D

A

E

S

R

S

C

V

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

P

D

K

H

L

L

L

L

A

K

Q

K

G

G

I

I

K

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

G

S

I

W

V

L

E

R

D

T

G

G

D

D

W

T

I

I

E

R

L

I

D

D

C

L

E

N

A

T

G

G

R

R

L

C

H

D

L

A

D

L

I

V

S

D

D

E

A

A

E

T

M

I

A

A

Q

A

R

R

Q

K

V

-

A

-

R

Q

E

D

A

G

V

I

N

P

A

A

E

V

T

P

V

A

T

T

A

M

H

-

S

T

G

P

Y

W

Q

Q

R

E

L

I

Y

Y

I

R

D

A

R

H

V

A

L

S

Q

Q

A

L

D

D

E

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

S

A

A

K

V

L

P

P

K

R

H

H

S

N

H

H

binding fe2/s2 (inorganic) cluster: C58 (= C57), N91 (≠ S90), C126 (= C125), D127 (= D126), C199 (= C198)
binding magnesium ion: E90 (= E89), D127 (= D126), K128 (= K127), E461 (= E452)

6ovtA Crystal structure of ilvd from mycobacterium tuberculosis (see paper)
39% identity, 87% coverage: 26:531/581 of query aligns to 21:530/562 of 6ovtA

query
sites
6ovtA

R

R

S

G

W

M

M

L

K

R

N

A

Q

V

G

G

I

M

P

D

D

D

H

E

E

D

F

F

Q

A

G

-

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

K

R

I

L

A

A

E

N

H

A

V

V

K

K

R

E

G

G

I

V

F

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

-
x
D

-
x
G

-

I

-

S

N

M

G

G

E

H

S

E

N

G

L

M

R

H

P

-

T

F

A

S

M

L

L

V

T

S

R

R

N

E

L

V

A

I

S

A

M

D

D

S

V

V

E

E

E

V

S

V

I

M

R

Q

G

A

N

E

P

R

M

L

D

D

A

G

V

S

V

V

L

L

L

L

V

A

G

G

C
|
C

D
|
D

K
|
K

T

S

T

L

P

P

A

G

L

M

L

L

M

M

G

A

A

A

A

A

S

R

C

L

D

D

V

L

P

A

A

A

I

V

V

F

V

L

T

Y

G

A

G

G

P

S

M

I

L

L

N

P

G

G

K

R

H

A

E

K

G

L

K

S

D

D

L

-

G

G

S

S

G

E

T

R

A

D

V

V

-

T

-

I

-

I

-

D

-

A

W

F

Q

E

L

A

S

V

E

G

A

A

V

C

K

S

G

R

G

G

Q

L

I

M

S

S

M

R

H

A

Q

D

F

V

L

D

A

A

A

I

E

E

S

R

G

A

M

I

S

C

R

P

S

G

A

E

G

G

T
x
A

C
|
C

N

G

T

G

M

M

G

Y

T

T

A

A

S

N

T

T

M

M

A

A

C

S

M

A

A

A

E

E

A

A

L

L

G

G

T

M

S

S

L

L

P

P

H

G

N

S

A

A

A

A

I

P

P

P

A

A

V

T

D

D

A

R

R

R

R

R

Y

D

V

G

L

F

A

A

H

R

M

R

S

S

G

G

M

Q

R

A

I

V

V

V

D

E

M

L

V

L

W

R

E

R

D

G

L

I

R

T

L

A

S

R

K

D

I

I

L

L

T

T

R

K

E

E

A

A

F

F

E

E

N

N

A

A

I

I

R

A

V

V

N

V

A

M

A

A

I

F

G

G

G

G

S

S

T

T

N

N

A

A

V

V

I

L

H

H

L

L

K

L

A

A

I

I

A

A

A

H

R

E

I

A

G

N

V

V

P

A

L

L

E

S

L

L

E

Q

D

D

W

F

T

S

R

R

I

I

G

G

R

S

G

G

T

V

P

P

T

H

L

L

V

A

D

D

L

V

Q

K

P

P

S

F

G

G

R

R

F

H

L

V

M

M

E

S

E

D

F

V

Y

D

Y

H

A

I

G

G

G

G

L

V

P

P

G

V

V

V

L

M

R

K

R

A

L

L

G

L

E

D

A

A

D

G

L

L

L

L

P

-

H

H

K

G

D

D

A

C

L

L

T

T

V

V

N

T

G

G

K

H

T

T

L

M

W

A

E

E

N

N

N

L

Q

A

-

A

-

I

E

T

A

P

P

P

I

D

Y

P

N

D

D

G

E

K

V

V

I

L

R

R

V

A

I

L

D

A

K

N

P

P

L

I

I

H

A

P

D

S

G

G

G

G

I

I

C

T

I

I

L

L

R

H

G

G

N

S

L

L

A

A

P

P

R

E

G

G

A

A

V

V

L

V

K

K

P

T

S

A

A

G

A

F

T

D

P

S

E

D

L

V

M

F

K

E

H

-

R

-

G

G

K

T

A

A

V

R

V

V

F

F

E

D

D

G

F

E

D

R

H

A

Y

A

K

L

K

D

R

A

I

L

N

E

D

D

P

G

E

T

L

I

E

T

V

V

D

-

A

-

S

G

S

D

V

A

L

V

V

V

M

I

K

R

N

Y

C

E

G

G

P

P

K

K

G

G

Y

G

P

P

G

G

M

M

A

R

E
|
E

V

M

G

-

N

-

M

L

G

A

L

I

P

T

P

G

K

A

L

I

L

K

A

G

Q

A

G

G

I

L

-

G

K

K

D

D

M

V

V

L

R

L

I

L

S

T

D

D

A

G

R

R

M

F

S

S

G

G

T

G

A

T

Y

T

G

G

T

L

V

C

V

V

L

G

H

H

V

I

A

A

P

P

E

E

A

A

A

V

A

D

G

G

G

G

P

P

L

I

G

A

I

L

V

L

E

R

D

N

G

G

D

D

W

R

I

I

E

R

L

L

D

D

C

V

E

-

A

A

G

G

R

R

L

V

H

L

L

D

D

V

I

L

S

A

D

D

-

P

A

A

E

E

M

F

A

A

Q

S

R

R

Q

Q

binding fe2/s2 (inorganic) cluster: C51 (= C57), G84 (vs. gap), C124 (= C125), D125 (= D126), A200 (≠ T197), C201 (= C198)
binding magnesium ion: D83 (vs. gap), D125 (= D126), K126 (= K127), E452 (= E452)

P9WKJ5 Dihydroxy-acid dehydratase; DAD; EC 4.2.1.9 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
39% identity, 87% coverage: 26:531/581 of query aligns to 34:543/575 of P9WKJ5

query
sites
P9WKJ5

R

R

S

G

W

M

M

L

K

R

N

A

Q

V

G

G

I

M

P

D

D

D

H

E

E

D

F

F

Q

A

G

-

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

K

R

I

L

A

A

E

N

H

A

V

V

K

K

R

E

G

G

I

V

F

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

-
x
D

-

G

-

I

-

S

N

M

G

G

E

H

S

E

N

G

L

M

R

H

P

-

T

F

A

S

M

L

L

V

T

S

R

R

N

E

L

V

A

I

S

A

M

D

D

S

V

V

E

E

E

V

S

V

I

M

R

Q

G

A

N

E

P

R

M

L

D

D

A

G

V

S

V

V

L

L

L

L

V

A

G

G

C
|
C

D
|
D

K
|
K

T

S

T

L

P

P

A

G

L

M

L

L

M

M

G

A

A

A

A

A

S

R

C

L

D

D

V

L

P

A

A

A

I

V

V

F

V

L

T

Y

G

A

G

G

P

S

M

I

L

L

N

P

G

G

K

R

H

A

E

K

G

L

K

S

D

D

L

-

G

G

S

S

G

E

T

R

A

D

V

V

-

T

-

I

-

I

-

D

-

A

W

F

Q

E

L

A

S

V

E

G

A

A

V

C

K

S

G

R

G

G

Q

L

I

M

S

S

M

R

H

A

Q

D

F

V

L

D

A

A

A

I

E

E

S

R

G

A

M

I

S

C

R

P

S

G

A

E

G

G

T

A

C
|
C

N

G

T

G

M

M

G

Y

T

T

A

A

S

N

T

T

M

M

A

A

C

S

M

A

A

A

E

E

A

A

L

L

G

G

T

M

S

S

L

L

P

P

H

G

N

S

A

A

A

A

I

P

P

P

A

A

V

T

D

D

A

R

R

R

R

R

Y

D

V

G

L

F

A

A

H

R

M

R

S

S

G

G

M

Q

R

A

I

V

V

V

D

E

M

L

V

L

W

R

E

R

D

G

L

I

R

T

L

A

S

R

K

D

I

I

L

L

T

T

R

K

E

E

A

A

F

F

E

E

N

N

A

A

I

I

R

A

V

V

N

V

A

M

A

A

I

F

G

G

G

G

S

S

T

T

N

N

A

A

V

V

I

L

H

H

L

L

K

L

A

A

I

I

A

A

A

H

R

E

I

A

G

N

V

V

P

A

L

L

E

S

L

L

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Q

D

D

W

F

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R

R

I

I

G

G

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G

G

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P

P

T

H

L

L

V

A

D

D

L

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Q

K

P

P

S

F

G

G

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R

F

H

L

V

M

M

E

S

E

D

F

V

Y

D

Y

H

A

I

G

G

G

G

L

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P

P

G

V

V

V

L

M

R

K

R

A

L

L

G

L

E

D

A

A

D

G

L

L

L

L

P

-

H

H

K

G

D

D

A

C

L

L

T

T

V

V

N

T

G

G

K

H

T

T

L

M

W

A

E

E

N

N

N

L

Q

A

-

A

-

I

E

T

A

P

P

P

I

D

Y

P

N

D

D

G

E

K

V

V

I

L

R

R

V

A

I

L

D

A

K

N

P

P

L

I

I

H

A

P

D

S

G

G

G

G

I

I

C

T

I

I

L

L

R

H

G

G

N

S

L

L

A

A

P

P

R

E

G

G

A

A

V

V

L

V

K

K

P

T

S

A

A

G

A

F

T

D

P

S

E

D

L

V

M

F

K

E

H

-

R

-

G

G

K

T

A

A

V

R

V

V

F

F

E

D

D

G

F

E

D

R

H

A

Y

A

K

L

K

D

R

A

I

L

N

E

D

D

P

G

E

T

L

I

E

T

V

V

D

-

A

-

S

G

S

D

V

A

L

V

V

V

M

I

K

R

N

Y

C

E

G

G

P

P

K

K

G

G

Y

G

P

P

G

G

M

M

A

R

E
|
E

V

M

G

-

N

-

M

L

G

A

L

I

P

T

P

G

K

A

L

I

L

K

A

G

Q

A

G

G

I

L

-

G

K

K

D

D

M

V

V

L

R

L

I

L

S

T

D

D

A

G

R

R

M

F

S
|
S

G

G

T

G

A

T

Y

T

G

G

T

L

V

C

V

V

L

G

H

H

V

I

A

A

P

P

E

E

A

A

A

V

A

D

G

G

G

G

P

P

L

I

G

A

I

L

V

L

E

R

D

N

G

G

D

D

W

R

I

I

E

R

L

L

D

D

C

V

E

-

A

A

G

G

R

R

L

V

H

L

L

D

D

V

I

L

S

A

D

D

-

P

A

A

E

E

M

F

A

A

Q

S

R

R

Q

Q

C64 (= C57) binding [2Fe-2S] cluster
D96 (vs. gap) binding Mg(2+)
C137 (= C125) binding [2Fe-2S] cluster
D138 (= D126) binding Mg(2+)
K139 (= K127) binding via carbamate group; modified: N6-carboxylysine
C214 (= C198) binding [2Fe-2S] cluster
E465 (= E452) binding Mg(2+)
S491 (= S479) mutation to A: Loss of catalytic activity.

9jpiA The complex structure of dhad with aspterric acid (aa). (see paper)
34% identity, 90% coverage: 42:566/581 of query aligns to 47:569/570 of 9jpiA

query
sites
9jpiA

K

K

P

P

I

Q

I

I

G

G

I

I

C

S

N

S

T

V

W

W

S

Y

E

E

L

G

T

N

P

T

C
|
C

N

N

A

M

H

H

F

L

R

L

K

K

I

L

A

S

E

E

H

A

V

V

K

K

R

E

G

G

I

V

F

E

E

N

A

A

G

G

G

M

F

V

P

G

V

F

E

R

F

F

P

N

V

T

F

I

S

G

N

V

G

S

E
x
D

S
x
A

N

I

L

S

R

M

P

G

T

T

-
x
R

-

G

-

M

-
x
C

-

F

A

S

M

L

L

Q

T

S

R

R

N

D

L

L

A

I

S

A

M

D

D

S

V

I

E

E

E

T

S

V

I

M

R

S

G

A

N

Q

P

W

M

Y

D

D

A

G

V

N

V

I

L

S

L

I

V

P

G

G

C
|
C

D
|
D

K
|
K

T

N

T

M

P

P

A

G

L

T

L

I

M

M

G

A

A

M

A

G

S

R

C

L

D

N

V

R

P

P

A

G

I

I

V

M

V

V

T

Y

G

G

G

G

P

T

M

I

L

K

N

P

G

G

K

H

H

F

E

Q

G

D

K

K

D

T

L

Y

G

D

S
x
I

G

V

T

S

A

A

V
x
F

W

Q

Q

S

L

Y

S

G

E

E

A

F

V

V

K

S

G

G

G

-

Q

S

I

I

S

S

M

D

H

E

Q

Q

F

R

L

K

A

T

A

V

E

L

S

H

G

H

M

S

S

C

R

P

S

G

A

A

G

G

T
x
A

C
|
C

N

G

T

G

M

M

G
x
Y

T
|
T

A

A

S

N

T

T

M

M

A

A

C

S

M

A

A

I

E

E

A

A

L

M

G

G

T

M

S

S

L

L

P

P

H

Y

N

S

A

S

A

S

I

I

P

P

A

A

V

E

D

D

A

P

R

L

R

K

Y

L

V

D

L

E

A

C

H

R

M

L

S

A

G

G

M

K

R

Y

I

L

V

L

D

E

M

L

V

L

W

K

E

M

D

D

L

L

R

K

L

P

S

R

K

D

I

I

L

I

T

T

R

P

E

K

A

S

F

L

E

R

N

N

A

A

I

M

R

V

V

S

N

V

A

M

A

A

I

L

G

G

G

G

S

S

T

T

N

N

A

A

V

V

I

L

H

H

L

L

K

I

A

A

I

I

A

A

A

R

R

S

I

V

G

G

V

L

P

E

L

L

E

T

L

L

E

D

D

D

W

F

T

Q

R

K

I

V

G

S

R

D

G

A

T

V

P

P

T

F

L

L

V

A

D

D

L

L

Q

K

P

P

S

S

G

G

R

K

F

Y

L

V

M

M

E

E

E

D

F

I

Y

H

Y

K

A

I

G

G

G

G

L

T

P

P

G

A

V

V

L

L

R

R

R

Y

L

L

G

L

E

E

A

L

D

G

L

L

L

M

P

-

H

D

K

G

D

D

A

C

L

M

T

T

V

V

N

T

G

G

K

Q

T

T

L

L

W

A

E

Q

N

N

N

L

Q

E

E

N

A

V

P

P

I

S

Y

L

N

T

D

E

-

G

-

Q

E

E

V

I

I

I

R

R

V

P

I

L

D

S

K

N

P

P

L

I

I

K

A

E

D

T

G

G

G

H

I

I

C

Q

I

I

L

L

R

R

G

G

N

D

L

L

A

A

P

P

R

D

G

G

A

S

V

V

L

A

K

K

P

I

S

T

A

G

A

K

T

-

P

-

E

E

L

G

M

L

K

Y

H

F

R

S

G

G

K

P

A

A

V

L

V

V

F

F

E

E

D

G

F

E

D

E

H

S

Y

M

K

L

K

A

R

A

I

I

N

S

D

A

P

D

E

P

L

M

E

S

V

F

D

K

A

G

S

-

S

T

V

V

L

V

V

V

M

I

K

R

N

G

C

E

G

G

P

P

K

K

G

G

Y

G

P

P

G

G

M

M

A

P

E
|
E

V

M

G

-

N

-

M

-

G

-

L

L

P

T

P

P

K

T

-

S

-

A

L

I

L

M

A

G

Q

A

G

G

I

L

-

G

K

K

D

E

M

C

V

A

R

L

I

L

S

T

D

D

A

G

R

R

M

F

S
|
S

G

G

T

G

A

S

Y

H

G

G

T

F

V

V

V

V

L

G

H

H

V

I

A

C

P

P

E

E

A

A

A

Q

A

E

G

G

G

G

P

P

L

I

G

G

I

L

V

I

E

K

D

N

G

G

D

D

W

I

I

I

E

T

L

I

D

D

C

I

E

G

A

A

G

A

R

R

L

I

H

D

L

T

D

Q

I

V

S

S

D

P

A

E

E

E

M

M

A

N

Q

D

R

R

Q

-

V

-

A

-

R

R

E

K

A

K

V

W

N

T

A

A

E

P

T

A

V

Y

T
x
K

A

V

H

N

S

R

G

G

Y

V

Q

L

R

Y

L

K

Y

Y

I

I

D

K

R

N

V

V

L

Q

Q

S

A

A

D

S

E

D

G

G

C

C

D

V

F

T

D

D

binding fe2/s2 (inorganic) cluster: C62 (= C57), A95 (≠ S90), C135 (= C125), D136 (= D126), A206 (≠ T197), C207 (= C198)
binding Aspterric Acid: D94 (≠ E89), R101 (vs. gap), C104 (vs. gap), D136 (= D126), I173 (≠ S163), F177 (≠ V167), Y211 (≠ G202), T212 (= T203), E459 (= E452), S485 (= S479), K546 (≠ T543)
binding magnesium ion: D94 (≠ E89), D136 (= D126), K137 (= K127), E459 (= E452)

8hs0A The mutant structure of dhad v178w (see paper)
34% identity, 90% coverage: 42:566/581 of query aligns to 47:569/570 of 8hs0A

query
sites
8hs0A

K

K

P

P

I

Q

I

I

G

G

I

I

C

S

N

S

T

V

W

W

S

Y

E

E

L

G

T

N

P

T

C
|
C

N

N

A

M

H

H

F

L

R

L

K

K

I

L

A

S

E

E

H

A

V

V

K

K

R

E

G

G

I

V

F

E

E

N

A

A

G

G

G

M

F

V

P

G

V

F

E

R

F

F

P

N

V

T

F

I

S

G

N

V

G

S

E
x
D

S
x
A

N

I

L

S

R

M

P

G

T

T

-

R

-

G

-

M

-

C

-

F

A

S

M

L

L

Q

T

S

R

R

N

D

L

L

A

I

S

A

M

D

D

S

V

I

E

E

E

T

S

V

I

M

R

S

G

A

N

Q

P

W

M

Y

D

D

A

G

V

N

V

I

L

S

L

I

V

P

G

G

C
|
C

D
|
D

K
|
K

T

N

T

M

P

P

A

G

L

T

L

I

M

M

G

A

A

M

A

G

S

R

C

L

D

N

V

R

P

P

A

G

I

I

V

M

V

V

T

Y

G

G

G

G

P

T

M

I

L

K

N

P

G

G

K

H

H

F

E

Q

G

D

K

K

D

T

L

Y

G

D

S

I

G

W

T

S

A

A

V

F

W

Q

Q

S

L

Y

S

G

E

E

A

F

V

V

K

S

G

G

G

-

Q

S

I

I

S

S

M

D

H

E

Q

Q

F

R

L

K

A

T

A

V

E

L

S

H

G

H

M

S

S

C

R

P

S

G

A

A

G

G

T

A

C
|
C

N

G

T

G

M

M

G

Y

T

T

A

A

S

N

T

T

M

M

A

A

C

S

M

A

A

I

E

E

A

A

L

M

G

G

T

M

S

S

L

L

P

P

H

Y

N

S

A

S

A

S

I

I

P

P

A

A

V

E

D

D

A

P

R

L

R

K

Y

L

V

D

L

E

A

C

H

R

M

L

S

A

G

G

M

K

R

Y

I

L

V

L

D

E

M

L

V

L

W

K

E

M

D

D

L

L

R

K

L

P

S

R

K

D

I

I

L

I

T

T

R

P

E

K

A

S

F

L

E

R

N

N

A

A

I

M

R

V

V

S

N

V

A

M

A

A

I

L

G

G

G

G

S

S

T

T

N
|
N

A

A

V

V

I

L

H
|
H

L

L

K

I

A

A

I

I

A

A

A

R

R

S

I

V

G

G

V

L

P

E

L

L

E

T

L

L

E

D

D

D

W

F

T

Q

R

K

I

V

G

S

R

D

G

A

T

V

P

P

T

F

L

L

V

A

D

D

L

L

Q

K

P

P

S

S

G

G

R

K

F

Y

L

V

M

M

E

E

E

D

F

I

Y

H

Y

K

A

I

G

G

G

G

L

T

P

P

G

A

V

V

L

L

R

R

R

Y

L

L

G

L

E

E

A

L

D

G

L

L

L

M

P

-

H

D

K

G

D

D

A

C

L

M

T

T

V

V

N

T

G

G

K

Q

T

T

L

L

W

A

E

Q

N

N

N

L

Q

E

E

N

A

V

P

P

I

S

Y

L

N

T

D

E

-

G

-

Q

E

E

V

I

I

I

R

R

V

P

I

L

D

S

K

N

P

P

L

I

I

K

A

E

D

T

G

G

G

H

I

I

C

Q

I

I

L

L

R

R

G

G

N

D

L

L

A

A

P

P

R

D

G

G

A

S

V

V

L

A

K

K

P

I

S

T

A

G

A

K

T

-

P

-

E

E

L

G

M

L

K

Y

H

F

R

S

G

G

K

P

A

A

V

L

V

V

F

F

E

E

D

G

F

E

D

E

H

S

Y

M

K

L

K

A

R

A

I

I

N

S

D

A

P

D

E

P

L

M

E

S

V

F

D

K

A

G

S

-

S

T

V

V

L

V

V

V

M

I

K

R

N

G

C

E

G

G

P

P

K

K

G

G

Y

G

P

P

G

G

M

M

A

P

E

E

V

M

G

-

N

-

M

-

G

-

L

L

P

T

P

P

K

T

-

S

-

A

L

I

L

M

A

G

Q

A

G

G

I

L

-

G

K

K

D

E

M

C

V

A

R

L

I

L

S

T

D

D

A

G

R

R

M

F

S

S

G

G

T

G

A

S

Y

H

G

G

T

F

V

V

V

V

L

G

H

H

V

I

A

C

P

P

E

E

A

A

A

Q

A

E

G

G

G

G

P

P

L

I

G

G

I

L

V

I

E

K

D

N

G

G

D

D

W

I

I

I

E

T

L

I

D

D

C

I

E

G

A

A

G

A

R

R

L

I

H

D

L

T

D

Q

I

V

S

S

D

P

A

E

E

E

M

M

A

N

Q

D

R

R

Q

-

V

-

A

-

R

R

E

K

A

K

V

W

N

T

A

A

E

P

T

A

V

Y

T

K

A

V

H

N

S

R

G

G

Y

V

Q

L

R

Y

L

K

Y

Y

I

I

D

K

R

N

V

V

L

Q

Q

S

A

A

D

S

E

D

G

G

C

C

D

V

F

T

D

D

binding fe2/s2 (inorganic) cluster: C62 (= C57), D94 (≠ E89), A95 (≠ S90), C135 (= C125), D136 (= D126), C207 (= C198)
binding magnesium ion: D136 (= D126), K137 (= K127), N285 (= N276), H289 (= H280)

Q9LIR4 Dihydroxy-acid dehydratase, chloroplastic; AthDHAD; DAD; EC 4.2.1.9 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
34% identity, 90% coverage: 42:566/581 of query aligns to 85:607/608 of Q9LIR4

query
sites
Q9LIR4

K

K

P

P

I

Q

I

I

G

G

I

I

C

S

N

S

T

V

W

W

S

Y

E

E

L

G

T

N

P

T

C
|
C

N

N

A

M

H

H

F

L

R

L

K

K

I

L

A

S

E

E

H

A

V

V

K

K

R

E

G

G

I

V

F

E

E

N

A

A

G

G

G

M

F

V

P

G

V

F

E

R

F

F

P

N

V

T

F

I

S

G

N

V

G

S

E

D

S

A

N

I

L

S

R

M

P

G

T

T

-

R

-

G

-

M

-

C

-

F

A

S

M

L

L

Q

T

S

R

R

N

D

L

L

A

I

S

A

M

D

D

S

V

I

E

E

E

T

S

V

I

M

R

S

G

A

N

Q

P

W

M

Y

D

D

A

G

V

N

V

I

L

S

L

I

V

P

G

G

C
|
C

D
|
D

K

K

T

N

T

M

P

P

A

G

L

T

L

I

M

M

G

A

A

M

A

G

S

R

C

L

D

N

V

R

P

P

A

G

I

I

V

M

V

V

T

Y

G

G

G

G

P

T

M

I

L

K

N

P

G

G

K

H

H

F

E

Q

G

D

K

K

D

T

L

Y

G

D

S

I

G

V

T

S

A

A

V

F

W

Q

Q

S

L

Y

S

G

E

E

A

F

V

V

K

S

G

G

G

-

Q

S

I

I

S

S

M

D

H

E

Q

Q

F

R

L

K

A

T

A

V

E

L

S

H

G

H

M

S

S

C

R

P

S

G

A

A

G

G

T

A

C
|
C

N

G

T

G

M

M

G

Y

T

T

A

A

S

N

T

T

M

M

A

A

C

S

M

A

A

I

E

E

A

A

L

M

G

G

T

M

S

S

L

L

P

P

H

Y

N

S

A

S

A

S

I

I

P

P

A

A

V

E

D

D

A

P

R

L

R

K

Y

L

V

D

L

E

A

C

H

R

M

L

S

A

G

G

M

K

R

Y

I

L

V

L

D

E

M

L

V

L

W

K

E

M

D

D

L

L

R

K

L

P

S

R

K

D

I

I

L

I

T

T

R

P

E

K

A

S

F

L

E

R

N

N

A

A

I

M

R

V

V

S

N

V

A

M

A

A

I

L

G

G

G

G

S

S

T

T

N

N

A

A

V

V

I

L

H

H

L

L

K

I

A

A

I

I

A

A

A

R

R

S

I

V

G

G

V

L

P

E

L

L

E

T

L

L

E

D

D

D

W

F

T

Q

R

K

I

V

G

S

R

D

G

A

T

V

P

P

T

F

L

L

V

A

D

D

L

L

Q

K

P

P

S

S

G

G

R

K

F

Y

L

V

M

M

E

E

E

D

F

I

Y

H

Y

K

A

I

G

G

G

G

L

T

P

P

G

A

V

V

L

L

R

R

R

Y

L

L

G

L

E

E

A

L

D

G

L

L

L

M

P

-

H

D

K

G

D

D

A

C

L

M

T

T

V

V

N

T

G

G

K

Q

T

T

L

L

W

A

E

Q

N

N

N

L

Q

E

E

N

A

V

P

P

I

S

Y

L

N

T

D

E

-

G

-

Q

E

E

V

I

I

I

R

R

V

P

I

L

D

S

K

N

P

P

L

I

I

K

A

E

D

T

G

G

G

H

I

I

C

Q

I

I

L

L

R

R

G

G

N

D

L

L

A

A

P

P

R

D

G

G

A

S

V

V

L

A

K

K

P

I

S

T

A

G

A

K

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-

P

-

E

E

L

G

M

L

K

Y

H

F

R

S

G

G

K

P

A

A

V

L

V

V

F

F

E

E

D

G

F

E

D

E

H

S

Y

M

K

L

K

A

R

A

I

I

N

S

D

A

P

D

E

P

L

M

E

S

V

F

D

K

A

G

S

-

S

T

V

V

L

V

V

V

M

I

K

R

N

G

C

E

G

G

P

P

K

K

G

G

Y

G

P

P

G

G

M

M

A

P

E
|
E

V

M

G

-

N

-

M

-

G

-

L

L

P

T

P

P

K

T

-

S

-

A

L

I

L

M

A

G

Q

A

G

G

I

L

-

G

K

K

D

E

M

C

V

A

R

L

I

L

S

T

D

D

A

G

R

R

M

F

S

S

G

G

T

G

A

S

Y

H

G

G

T

F

V

V

V

V

L

G

H

H

V

I

A

C

P

P

E

E

A

A

A

Q

A

E

G

G

G

G

P

P

L

I

G

G

I

L

V

I

E

K

D

N

G

G

D

D

W

I

I

I

E

T

L

I

D

D

C

I

E

G

A

K

G

K

R

R

L

I

H

D

L

T

D

Q

I

V

S

S

D

P

A

E

E

E

M

M

A

N

Q

D

R

R

Q

-

V

-

A

-

R

R

E

K

A

K

V

W

N

T

A

A

E

P

T

A

V

Y

T

K

A

V

H

N

S

R

G

G

Y

V

Q

L

R

Y

L

K

Y

Y

I

I

D

K

R

N

V

V

L

Q

Q

S

A

A

D

S

E

D

G

G

C

C

D

V

F

T

D

D

C100 (= C57) binding [2Fe-2S] cluster
C173 (= C125) binding [2Fe-2S] cluster
D174 (= D126) binding Mg(2+)
C245 (= C198) binding [2Fe-2S] cluster
E497 (= E452) binding Mg(2+)

8imuA Dihydroxyacid dehydratase (dhad) mutant-v497f (see paper)
32% identity, 92% coverage: 33:566/581 of query aligns to 36:522/523 of 8imuA

query
sites
8imuA

G

G

I

L

P

S

D

D

H

D

E

D

F

L

Q

L

G

-

K

K

P

P

I

Q

I

I

G

G

I

I

C

S

N

S

T

V

W

W

S

Y

E

E

L

G

T
x
N

P

T

C
|
C

N

N

A

M

H

H

F

L

R

L

K

K

I

L

A

S

E

E

H

A

V

V

K

K

R

E

G

G

I

V

F

E

E

N

A

A

G

G

G

M

F

V

P

G

V

F

E

R

F

F

P

N

V

T

F

I

S

G

N

V

G

S

E

D

S

A

N

I

L

S

R

M

P

G

T

T

-

R

-

G

-

M

-

C

-

F

A

S

M

L

L

Q

T

S

R

R

N

D

L

L

A

I

S

A

M

D

D

S

V

I

E

E

E

T

S

V

I

M

R

S

G

A

N

Q

P

W

M

Y

D

D

A

G

V

N

V

I

L

S

L

I

V

P

G

G

C
|
C

D
|
D

K

K

T

N

T

M

P

P

A

G

L

T

L

I

M

M

G

A

A

M

A

G

S

R

C

L

D

N

V

R

P

P

A

G

I

I

V

M

V

V

T

Y

G

G

G

G

P

T

M

I

L

K

N

P

G

G

K

G

H

-

E

-

G

-

K

-

D

-

L

-

G

-

S

-

G

-

T

-

A

-

V

-

W

-

Q

-

L

-

S

-

E

-

A

-

V

-

K

-

G

-

G

-

Q

-

I

-

S

-

M

-

H

-

Q

-

F

-

L

-

A

-

A

-

E

-

S

-

G

-

M

-

S

-

R

-

S

-

A

-

G

-

T

-

C

-

N

-

T

-

M

M

G

Y

T

T

A

A

S

N

T

T

M

M

A

A

C

S

M

A

A

I

E

E

A

A

L

M

G

G

T

M

S

S

L

L

P

P

H

Y

N

S

A

S

A

S

I

I

P

P

A

A

V

E

D

D

A

P

R

L

R

K

Y

L

V

D

L

E

A

C

H

R

M

L

S

A

G

G

M

K

R

Y

I

L

V

L

D

E

M

L

V

L

W

K

E

M

D

D

L

L

R

K

L

P

S

R

K

D

I

I

L

I

T

T

R

P

E

K

A

S

F

L

E

R

N

N

A

A

I

M

R

V

V

S

N

V

A

M

A

A

I

L

G

G

G

G

S

S

T

T

N

N

A

A

V

V

I

L

H

H

L

L

K

I

A

A

I

I

A

A

A

R

R

S

I

V

G

G

V

L

P

E

L

L

E

T

L

L

E

D

D

D

W

F

T

Q

R

K

I

V

G

S

R

D

G

A

T

V

P

P

T

F

L

L

V

A

D

D

L

L

Q

K

P

P

S

S

G

G

R

K

F

Y

L

V

M

M

E

E

E

D

F

I

Y

H

Y

K

A

I

G

G

G

G

L

T

P

P

G

A

V

V

L

L

R

R

R

Y

L

L

G

L

E

E

A

L

D

G

L

L

L

M

P

-

H

D

K

G

D

D

A

C

L

M

T

T

V

V

N

T

G

G

K

Q

T

T

L

L

W

A

E

Q

N

N

N

L

Q

E

E

N

A

V

P

P

I

S

Y

L

N

T

D

E

-

G

-

Q

E

E

V

I

I

I

R

R

V

P

I

L

D

S

K

N

P

P

L

I

I

K

A

E

D

T

G

G

G

H

I

I

C

Q

I

I

L

L

R

R

G

G

N

D

L

L

A

A

P

P

R

D

G

G

A

S

V

V

L

A

K

K

P

I

S

T

A

G

A

K

T

-

P

-

E

E

L

G

M

L

K

Y

H

F

R

S

G

G

K

P

A

A

V

L

V

V

F

F

E

E

D

G

F

E

D

E

H

S

Y

M

K

L

K

A

R

A

I

I

N

S

D

A

P

D

E

P

L

M

E

S

V

F

D

K

A

G

S

-

S

T

V

V

L

V

V

V

M

I

K

R

N

G

C

E

G

G

P

P

K

K

G

G

Y

G

P

P

G

G

M

M

A

P

E

E

V

M

G

-

N

-

M

-

G

-

L

L

P

T

P

P

K

T

-

S

-

A

L

I

L

M

A

G

Q

A

G

G

I

L

-

G

K

K

D

E

M

C

V

A

R

L

I

L

S

T

D

D

A

G

R

R

M

F

S

S

G

G

T

G

A

S

Y

H

G

G

T

F

V

V

V

F

L

G

H

H

V

I

A

C

P

P

E

E

A

A

A

Q

A

E

G

G

G

G

P

P

L

I

G

G

I

L

V

I

E

K

D

N

G

G

D

D

W

I

I

I

E

T

L

I

D

D

C

I

E

G

A

A

G

A

R

R

L

I

H

D

L

T

D

Q

I

V

S

S

D

P

A

E

E

E

M

M

A

N

Q

D

R

R

Q

-

V

-

A

-

R

R

E

K

A

K

V

W

N

T

A

A

E

P

T

A

V

Y

T

K

A

V

H

N

S

R

G

G

Y

V

Q

L

R

Y

L

K

Y

Y

I

I

D

K

R

N

V

V

L

Q

Q

S

A

A

D

S

E

D

G

G

C

C

D

V

F

T

D

D

binding fe2/s2 (inorganic) cluster: N57 (≠ T55), C59 (= C57), C132 (= C125), D133 (= D126)

Query Sequence

>WP_061942322.1 NCBI__GCF_001584185.1:WP_061942322.1
MTVDKKRPLRSAEWFGSNDKNGMMYRSWMKNQGIPDHEFQGKPIIGICNTWSELTPCNAH
FRKIAEHVKRGIFEAGGFPVEFPVFSNGESNLRPTAMLTRNLASMDVEESIRGNPMDAVV
LLVGCDKTTPALLMGAASCDVPAIVVTGGPMLNGKHEGKDLGSGTAVWQLSEAVKGGQIS
MHQFLAAESGMSRSAGTCNTMGTASTMACMAEALGTSLPHNAAIPAVDARRYVLAHMSGM
RIVDMVWEDLRLSKILTREAFENAIRVNAAIGGSTNAVIHLKAIAARIGVPLELEDWTRI
GRGTPTLVDLQPSGRFLMEEFYYAGGLPGVLRRLGEADLLPHKDALTVNGKTLWENNQEA
PIYNDEVIRVIDKPLIADGGICILRGNLAPRGAVLKPSAATPELMKHRGKAVVFEDFDHY
KKRINDPELEVDASSVLVMKNCGPKGYPGMAEVGNMGLPPKLLAQGIKDMVRISDARMSG
TAYGTVVLHVAPEAAAGGPLGIVEDGDWIELDCEAGRLHLDISDAEMAQRQVAREAVNAE
TVTAHSGYQRLYIDRVLQADEGCDFDFLVGCRGSAVPKHSH

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory