SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Ac3H11_1482 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase (EC 4.1.2.n4) 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 20 (the maximum) hits to proteins with known functional sites (download)

7et9A Crystal structure of abhpai-zn-pyruvate complex, class ii aldolase, hpai from acinetobacter baumannii (see paper)
60% identity, 91% coverage: 7:254/274 of query aligns to 6:252/254 of 7et9A

query
sites
7et9A

N

N

R

Y

F

F

R

K

N

Q

A

K

L

L

R

K

E

T

G

E

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Q

P

-

Q

Q

I

I

G

G

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M

W

W

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V

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G

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L

A

A

D

D

A

G

N

Y

A

C

A

A

E

E

A

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A

A

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N

C

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G

G

F

Y

D

D

W

W

L

L

L

I

D

D

G

G

E

E

H

H

A

A

P

P

N

N

D

D

V

V

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R

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S

V

I

L

L

D

A

Q

Q

L

L

R

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A

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A

Y

Y

P

P

A

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H

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R
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R

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A

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D

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L

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D

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G

A

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T

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L

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P

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M

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E

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A

E

E

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A

A

A

E

L

L

M

M

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V

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K

A

A

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T

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R

Y

Y

A

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P

P

E

E

G

G

I

I

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G

M

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G

G

A

A

L

L

A

A

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R

A

A

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S

R

R

W

W

N

N

Q

N

V

I

E

S

D

D

Y

Y

L

L

N

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T

A

A

N

D

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E

E

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I

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F

binding pyruvic acid: R72 (= R74), Q149 (= Q151), E151 (= E153), G174 (= G176), P175 (= P177), A176 (= A178), D177 (= D179)
binding zinc ion: E151 (= E153), D177 (= D179)

7ethA Crystal structure of abhpai-zn-pyruvate-propionaldehyde complex, class ii aldolase, hpai from acinetobacter baumannii (see paper)
60% identity, 91% coverage: 7:254/274 of query aligns to 4:250/251 of 7ethA

query
sites
7ethA

N

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Y

F

F

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K

N

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A

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L

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K

E

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E

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P

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I

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W
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W

V

V

G

G

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L

A

A

D

D

A

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N

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A

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A

A

E

E

A

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D

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W

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D

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E

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D

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x
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G

A

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L

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R

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W

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F

binding propanal: W19 (= W23), R70 (= R74), V118 (≠ M122), G119 (= G123), L122 (= L126), L212 (= L216)
binding pyruvic acid: W19 (= W23), R70 (= R74), Q147 (= Q151), E149 (= E153), F170 (= F174), G172 (= G176), P173 (= P177), A174 (= A178), D175 (= D179), L212 (= L216)
binding zinc ion: E149 (= E153), D175 (= D179)

7etiA Crystal structure of abhpai-zn-pyruvate-4-hydroxybenzaldehyde complex, class ii aldolase, hpai from acinetobacter baumannii (see paper)
60% identity, 91% coverage: 7:254/274 of query aligns to 6:252/253 of 7etiA

query
sites
7etiA

N

N

R

Y

F

F

R

K

N

Q

A

K

L

L

R

K

E

T

G

E

Q

Q

P

-

Q

Q

I

I

G

G

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M

W

W

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G

G

L

L

A

A

D

D

A

G

N

Y

A

C

A

A

E

E

A

I

L

A

A

A

G

N

C

V

G

G

F

Y

D

D

W

W

L

L

L

I

D

D

G

G

E

E

H
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H

A

A

P

P

N

N

D

D

V

V

R

R

S

S

V

I

L

L

D

A

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D

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E

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x
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G

A

A

A
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A

L
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L

A

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A

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R

W

W

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N

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V

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D

Y

Y

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L

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A

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K

A

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A

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M

S

A

A

D

D

R

E

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K

L

L

A

A

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K

S

Q

Y

Y

L

L

D

E

A

L

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G

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T

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E

F

F

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A

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D

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L

L

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K

F

F

binding p-hydroxybenzaldehyde: H47 (= H49), R72 (= R74), V120 (≠ M122), G121 (= G123), A123 (= A125), L124 (= L126), L214 (= L216), V236 (= V238)
binding pyruvic acid: R72 (= R74), Q149 (= Q151), E151 (= E153), F172 (= F174), G174 (= G176), P175 (= P177), A176 (= A178), D177 (= D179), L214 (= L216)
binding zinc ion: E151 (= E153), D177 (= D179)

7etfA Crystal structure of abhpai-mn-pyruvate-succinic semialdehyde complex, class ii aldolase, hpai from acinetobacter baumannii (see paper)
60% identity, 91% coverage: 7:254/274 of query aligns to 6:252/253 of 7etfA

query
sites
7etfA

N

N

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Y

F

F

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K

N

Q

A

K

L

L

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K

E

T

G

E

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Q

P

-

Q

Q

I

I

G

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L

M

W
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W

V

V

G

G

L

L

A

A

D

D

A

G

N

Y

A

C

A

A

E

E

A

I

L

A

A

A

G

N

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V

G

G

F

Y

D

D

W

W

L

L

L

I

D

D

G

G

E

E

H
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H

A

A

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P

N

N

D

D

V

V

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R

S

S

V

I

L

L

D

A

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Q

L

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A

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A

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Y

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A

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H

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P

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A

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D

D

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L

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K

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E

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G

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x
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G

A
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A

L
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L

A

A

R

R

A

A

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S

R

R

W

W

N

N

Q

N

V

I

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S

D

D

Y

Y

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L

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A

A

N

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E

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C

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L

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Q

A

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K

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K

A

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M

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D

N

N

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D

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F

F

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A
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A

D
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D

L

L

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S

A

A

S

A

M

L

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G

Y

Y

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R

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G

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N

A

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H

H

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E

A

F

V

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Q

R

N

A

I

I

I

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E

Q

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T

I

I

A

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R

A

A

V

A

G

G

K

K

A

A

P

A

G

G

I

I

L
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L

M

S

A

A

D

D

R

E

Q

K

L

L

A

A

Q

K

S

Q

Y

Y

L

L

D

E

A

L

G

G

A

T

L

E

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F

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V

A

A

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G

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D

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T

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L

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S

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M

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E

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L

L

A

L

R

S

S

K

F

F

binding manganese (ii) ion: E151 (= E153), D177 (= D179)
binding pyruvic acid: W21 (= W23), R72 (= R74), Q149 (= Q151), E151 (= E153), F172 (= F174), G174 (= G176), P175 (= P177), A176 (= A178), D177 (= D179), L214 (= L216)
binding 4-oxobutanoic acid: W21 (= W23), H47 (= H49), R72 (= R74), V120 (≠ M122), G121 (= G123), A122 (= A124), A123 (= A125), L124 (= L126), L214 (= L216)

7eteA Crystal structure of abhpai-mg-(4r)-kdgal complex, class ii aldolase, hpai from acinetobacter baumannii (see paper)
60% identity, 91% coverage: 7:254/274 of query aligns to 6:252/253 of 7eteA

query
sites
7eteA

N

N

R

Y

F

F

R

K

N

Q

A

K

L

L

R

K

E

T

G

E

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Q

P

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Q

I

I

G

G

L

M

W
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W

V

V

G

G

L

L

A

A

D

D

A

G

N

Y

A

C

A

A

E

E

A

I

L

A

A

A

G

N

C

V

G

G

F

Y

D

D

W

W

L

L

L

I

D

D

G

G

E

E

H

H

A

A

P

P

N

N

D

D

V

V

R

R

S

S

V

I

L

L

D

A

Q

Q

L

L

R

Q

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I

A

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A

Y

Y

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P

A

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H

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P

A

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R
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R

P

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V

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A

G

D

D

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L

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K

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L

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L

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M

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Q

A

A

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E

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L

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M

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K

A

A

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T

R

R

Y

Y

A

P

P

P

E

E

G

G

I

I

R

R

G

G

M
x
V

G
|
G

A
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A

L
|
L

A

A

R

R

A

A

S

S

R

R

W

W

N

N

Q

N

V

I

E

S

D

D

Y

Y

L

L

N

Q

C

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A

A

N

D

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E

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C

L

L

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V

Q
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Q

A

V

E
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E

T

S

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K

L

K

A

G

M

L

Q

D

N

N

L

L

Q

D

A

E

I

I

A

L

A

N

T

V

D

D

G

G

V

V

D

D

G

G

V

I

F
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F

F

I

G
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G

P
|
P

A
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A

D
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D

L

L

S

S

A

A

S

A

M

L

G

G

Y

Y

R

R

G

G

Q

N

A

P

S

G

H

H

P

E

A

F

V

V

Q

Q

R

N

A

I

I

I

L

V

E

Q

G

T

I

I

A

Q

T

K

V

I

R

R

A

A

V

A

G

G

K

K

A

A

P

A

G

G

I

I

L
|
L

M

S

A

A

D

D

R

E

Q

K

L

L

A

A

Q

K

S

Q

Y

Y

L

L

D

E

A

L

G

G

A

T

L

E

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

T

S

L

L

V

M

R

K

S

S

A

M

T

K

E

Q

L

L

A

L

R

S

S

K

F

F

binding (4R,5R)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid: W21 (= W23), R72 (= R74), V120 (≠ M122), G121 (= G123), A122 (= A124), A123 (= A125), L124 (= L126), Q149 (= Q151), F172 (= F174), G174 (= G176), P175 (= P177), A176 (= A178), L214 (= L216)
binding magnesium ion: E151 (= E153), D177 (= D179)

7etdA Crystal structure of abhpai-zn-(4s)-kdglu complex, class ii aldolase, hpai from acinetobacter baumannii (see paper)
60% identity, 91% coverage: 7:254/274 of query aligns to 6:252/253 of 7etdA

query
sites
7etdA

N

N

R

Y

F

F

R

K

N

Q

A

K

L

L

R

K

E

T

G

E

Q

Q

P

-

Q

Q

I

I

G

G

L

M

W

W

V

V

G

G

L

L

A

A

D

D

A

G

N

Y

A

C

A

A

E

E

A

I

L

A

A

A

G

N

C

V

G

G

F

Y

D

D

W

W

L

L

L

I

D

D

G

G

E

E

H

H

A

A

P

P

N

N

D

D

V

V

R

R

S

S

V

I

L

L

D

A

Q

Q

L

L

R

Q

A

S

V

I

A

A

P

A

Y

Y

P

P

A

S

H

Q

P

A

V

V

R
|
R

P

P

V

V

Q

S

A

G

D

D

V

V

A

P

L

L

V

I

K

K

Q

Q

Y

L

L

L

D

D

V

I

G

G

A

A

Q

Q

T

T

L

L

I

I

P

P

M

M

V

V

D

E

T

S

P

A

E

E

Q

Q

A

A

A

E

L

L

M

M

V

V

R

K

A

A

M

T

R

R

Y

Y

A

P

P

P

E

E

G

G

I

I

R

R

G

G

M

V

G

G

A

A

L

L

A

A

R

R

A

A

S

S

R

R

W

W

N

N

Q

N

V

I

E

S

D

D

Y

Y

L

L

N

Q

C

T

A

A

N

D

G

E

E

Q

M

I

C

C

L

L

V

V

Q
|
Q

A

V

E
|
E

T

S

P

K

L

K

A

G

M

L

Q

D

N

N

L

L

Q

D

A

E

I

I

A

L

A

N

T

V

D

D

G

G

V

V

D

D

G

G

V

I

F

F

F

I

G
|
G

P
|
P

A
|
A

D
|
D

L

L

S

S

A

A

S

A

M

L

G

G

Y

Y

R

R

G

G

Q

N

A

P

S

G

H

H

P

E

A

F

V

V

Q

Q

R

N

A

I

I

I

L

V

E

Q

G

T

I

I

A

Q

T

K

V

I

R

R

A

A

V

A

G

G

K

K

A

A

P

A

G

G

I

I

L
|
L

M

S

A

A

D

D

R

E

Q

K

L

L

A

A

Q

K

S

Q

Y

Y

L

L

D

E

A

L

G

G

A

T

L

E

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

T

S

L

L

V

M

R

K

S

S

A

M

T

K

E

Q

L

L

A

L

R

S

S

K

F

F

binding 2-keto-3-deoxygluconate: R72 (= R74), Q149 (= Q151), E151 (= E153), G174 (= G176), P175 (= P177), A176 (= A178), D177 (= D179), L214 (= L216)
binding zinc ion: E151 (= E153), D177 (= D179)

7etcA Crystal structure of abhpai-zn-(4r)-kdgal complex, class ii aldolase, hpai from acinetobacter baumannii (see paper)
60% identity, 91% coverage: 7:254/274 of query aligns to 6:252/253 of 7etcA

query
sites
7etcA

N

N

R

Y

F

F

R

K

N

Q

A

K

L

L

R

K

E

T

G

E

Q

Q

P

-

Q

Q

I

I

G

G

L

M

W

W

V

V

G

G

L

L

A

A

D

D

A

G

N

Y

A

C

A

A

E

E

A

I

L

A

A

A

G

N

C

V

G

G

F

Y

D

D

W

W

L

L

L

I

D

D

G

G

E

E

H
|
H

A

A

P

P

N

N

D

D

V

V

R

R

S

S

V

I

L

L

D

A

Q

Q

L

L

R

Q

A

S

V

I

A

A

P

A

Y

Y

P

P

A

S

H

Q

P

A

V

V

R
|
R

P

P

V

V

Q

S

A

G

D

D

V

V

A

P

L

L

V

I

K

K

Q

Q

Y

L

L

L

D

D

V

I

G

G

A

A

Q

Q

T

T

L

L

I

I

P

P

M

M

V

V

D

E

T

S

P

A

E

E

Q

Q

A

A

A

E

L

L

M

M

V

V

R

K

A

A

M

T

R

R

Y

Y

A

P

P

P

E

E

G

G

I

I

R

R

G

G

M

V

G

G

A

A

L

L

A

A

R

R

A

A

S

S

R

R

W

W

N

N

Q

N

V

I

E

S

D

D

Y

Y

L

L

N

Q

C

T

A

A

N

D

G

E

E

Q

M

I

C

C

L

L

V

V

Q
|
Q

A

V

E
|
E

T

S

P

K

L

K

A

G

M

L

Q

D

N

N

L

L

Q

D

A

E

I

I

A

L

A

N

T

V

D

D

G

G

V

V

D

D

G

G

V

I

F

F

F

I

G
|
G

P
|
P

A
|
A

D
|
D

L

L

S

S

A

A

S

A

M

L

G

G

Y

Y

R

R

G

G

Q

N

A

P

S

G

H

H

P

E

A

F

V

V

Q

Q

R

N

A

I

I

I

L

V

E

Q

G

T

I

I

A

Q

T

K

V

I

R

R

A

A

V

A

G

G

K

K

A

A

P

A

G

G

I

I

L

L

M

S

A

A

D

D

R

E

Q

K

L

L

A

A

Q

K

S

Q

Y

Y

L

L

D

E

A

L

G

G

A

T

L

E

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

T

S

L

L

V

M

R

K

S

S

A

M

T

K

E

Q

L

L

A

L

R

S

S

K

F

F

binding (4R,5R)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid: H47 (= H49), R72 (= R74), Q149 (= Q151), E151 (= E153), G174 (= G176), P175 (= P177), A176 (= A178), D177 (= D179)
binding zinc ion: E151 (= E153), D177 (= D179)

7etbA Crystal structure of abhpai-mn-pyruvate complex, class ii aldolase, hpai from acinetobacter baumannii (see paper)
60% identity, 91% coverage: 7:254/274 of query aligns to 6:252/253 of 7etbA

query
sites
7etbA

N

N

R

Y

F

F

R

K

N

Q

A

K

L

L

R

K

E

T

G

E

Q

Q

P

-

Q

Q

I

I

G

G

L

M

W
|
W

V

V

G

G

L

L

A

A

D

D

A

G

N

Y

A

C

A

A

E

E

A

I

L

A

A

A

G

N

C

V

G

G

F

Y

D

D

W

W

L

L

L

I

D

D

G

G

E

E

H

H

A

A

P

P

N

N

D

D

V

V

R

R

S

S

V

I

L

L

D

A

Q

Q

L

L

R

Q

A

S

V

I

A

A

P

A

Y

Y

P

P

A

S

H

Q

P

A

V

V

R
|
R

P

P

V

V

Q

S

A

G

D

D

V

V

A

P

L

L

V

I

K

K

Q

Q

Y

L

L

L

D

D

V

I

G

G

A

A

Q

Q

T

T

L

L

I

I

P

P

M

M

V

V

D

E

T

S

P

A

E

E

Q

Q

A

A

A

E

L

L

M

M

V

V

R

K

A

A

M

T

R

R

Y

Y

A

P

P

P

E

E

G

G

I

I

R

R

G

G

M

V

G

G

A

A

L

L

A

A

R

R

A

A

S

S

R

R

W

W

N

N

Q

N

V

I

E

S

D

D

Y

Y

L

L

N

Q

C

T

A

A

N

D

G

E

E

Q

M

I

C

C

L

L

V

V

Q
|
Q

A

V

E
|
E

T

S

P

K

L

K

A

G

M

L

Q

D

N

N

L

L

Q

D

A

E

I

I

A

L

A

N

T

V

D

D

G

G

V

V

D

D

G

G

V

I

F
|
F

F

I

G
|
G

P
|
P

A
|
A

D
|
D

L

L

S

S

A

A

S

A

M

L

G

G

Y

Y

R

R

G

G

Q

N

A

P

S

G

H

H

P

E

A

F

V

V

Q

Q

R

N

A

I

I

I

L

V

E

Q

G

T

I

I

A

Q

T

K

V

I

R

R

A

A

V

A

G

G

K

K

A

A

P

A

G

G

I

I

L
|
L

M

S

A

A

D

D

R

E

Q

K

L

L

A

A

Q

K

S

Q

Y

Y

L

L

D

E

A

L

G

G

A

T

L

E

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

T

S

L

L

V

M

R

K

S

S

A

M

T

K

E

Q

L

L

A

L

R

S

S

K

F

F

binding manganese (ii) ion: E151 (= E153), D177 (= D179)
binding pyruvic acid: W21 (= W23), R72 (= R74), Q149 (= Q151), E151 (= E153), F172 (= F174), G174 (= G176), P175 (= P177), A176 (= A178), D177 (= D179), L214 (= L216)

7etaA Crystal structure of abhpai-co-pyruvate complex, class ii aldolase, hpai from acinetobacter baumannii (see paper)
60% identity, 91% coverage: 7:254/274 of query aligns to 6:252/253 of 7etaA

query
sites
7etaA

N

N

R

Y

F

F

R

K

N

Q

A

K

L

L

R

K

E

T

G

E

Q

Q

P

-

Q

Q

I

I

G

G

L

M

W
|
W

V

V

G

G

L

L

A

A

D

D

A

G

N

Y

A

C

A

A

E

E

A

I

L

A

A

A

G

N

C

V

G

G

F

Y

D

D

W

W

L

L

L

I

D

D

G

G

E

E

H

H

A

A

P

P

N

N

D

D

V

V

R

R

S

S

V

I

L

L

D

A

Q

Q

L

L

R

Q

A

S

V

I

A

A

P

A

Y

Y

P

P

A

S

H

Q

P

A

V

V

R
|
R

P

P

V

V

Q

S

A

G

D

D

V

V

A

P

L

L

V

I

K

K

Q

Q

Y

L

L

L

D

D

V

I

G

G

A

A

Q

Q

T

T

L

L

I

I

P

P

M

M

V

V

D

E

T

S

P

A

E

E

Q

Q

A

A

A

E

L

L

M

M

V

V

R

K

A

A

M

T

R

R

Y

Y

A

P

P

P

E

E

G

G

I

I

R

R

G

G

M

V

G

G

A

A

L

L

A

A

R

R

A

A

S

S

R

R

W

W

N

N

Q

N

V

I

E

S

D

D

Y

Y

L

L

N

Q

C

T

A

A

N

D

G

E

E

Q

M

I

C

C

L

L

V

V

Q
|
Q

A

V

E
|
E

T

S

P

K

L

K

A

G

M

L

Q

D

N

N

L

L

Q

D

A

E

I

I

A

L

A

N

T

V

D

D

G

G

V

V

D

D

G

G

V

I

F
|
F

F

I

G
|
G

P
|
P

A
|
A

D
|
D

L

L

S

S

A

A

S

A

M

L

G

G

Y

Y

R

R

G

G

Q

N

A

P

S

G

H

H

P

E

A

F

V

V

Q

Q

R

N

A

I

I

I

L

V

E

Q

G

T

I

I

A

Q

T

K

V

I

R

R

A

A

V

A

G

G

K

K

A

A

P

A

G

G

I

I

L
|
L

M

S

A

A

D

D

R

E

Q

K

L

L

A

A

Q

K

S

Q

Y

Y

L

L

D

E

A

L

G

G

A

T

L

E

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

T

S

L

L

V

M

R

K

S

S

A

M

T

K

E

Q

L

L

A

L

R

S

S

K

F

F

binding cobalt (ii) ion: E151 (= E153), D177 (= D179)
binding pyruvic acid: W21 (= W23), R72 (= R74), Q149 (= Q151), E151 (= E153), F172 (= F174), G174 (= G176), P175 (= P177), A176 (= A178), D177 (= D179), L214 (= L216)

Q47098 4-hydroxy-2-oxo-heptane-1,7-dioate aldolase; 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase; HHED aldolase; 4-hydroxy-2-ketoheptane-1,7-dioate aldolase; HKHD aldolase; EC 4.1.2.52 from Escherichia coli (see 3 papers)
61% identity, 93% coverage: 6:261/274 of query aligns to 2:257/262 of Q47098

query
sites
Q47098

N

E

N

N

R

S

F

F

R

K

N

A

A

A

L

L

R

K

E

A

G

G

Q

R

P

P

Q

Q

I

I

G

G

L

L

W

W

V

L

G

G

L

L

A

S

D

S

A

S

N

Y

A

S

A

A

E

E

A

L

L

L

A

A

G

G

C

A

G

G

F

F

D

D

W

W

L

L

L

I

D

D

G

G

E

E

H
|
H

A

A

P

P

N

N

D

N

V

V

R

Q

S

T

V

V

L

L

D

T

Q

Q

L

L

R

Q

A

A

V

I

A

A

P

P

Y

Y

P

P

A

S

H

Q

P

P

V

V

R
|
R

P

P

V

S

Q

W

A

N

D

D

V

P

A

V

L

Q

V

I

K

K

Q

Q

Y

L

L

L

D

D

V

V

G

G

A

T

Q

Q

T

T

L

L

I

V

P

P

M

M

V

V

D

Q

T

N

P

A

E

D

Q

E

A

A

A

R

L

E

M

A

V

V

R

R

A

A

M

T

R

R

Y

Y

A

P

P

P

E

A

G

G

I

I

R

R

G

G

M

V

G

G

A

S

A

A

L

L

A

A

R

R

A

A

S

S

R

R

W

W

N

N

Q

R

V

I

E

P

D

D

Y

Y

L

L

N

Q

C

K

A

A

N

N

G

D

E

Q

M

M

C

C

L

V

L

L

V

V

Q

Q

A

I

E
|
E

T

T

P

R

L

E

A

A

M

M

Q

K

N

N

L

L

Q

P

A

Q

I

I

A

L

A

D

T

V

D

E

G

G

V

V

D

D

G

G

V

V

F

F

F

I

G

G

P

P

A

A

D
|
D

L

L

S

S

A

A

S

D

M

M

G

G

Y

Y

R

A

G

G

Q

N

A

P

S

Q

H

H

P

P

A

E

V

V

Q

Q

R

A

A

A

I

I

L

E

E

Q

G

A

I

I

A

V

T

Q

V

I

R

R

A

E

V

S

G

G

K

K

A

A

P

P

G

G

I

I

L

L

M

I

A

A

D

N

R

E

Q

Q

L

L

A

A

Q

K

S

R

Y

Y

L

L

D

E

A

L

G

G

A

A

L

L

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

L

L

V

A

R

R

S

A

A

A

T

E

E

A

L

L

A

A

R

A

S

R

F

F

G

G

R

A

N

Q

S

A

A

T

P

A

V

V

H45 (= H49) active site, Proton acceptor; mutation H->A,Q: Loss of activity.
R70 (= R74) mutation to A: Loss of activity. Still able to bind pyruvate.
E149 (= E153) binding
D175 (= D179) binding

2v5kA Class ii aldolase hpch - magnesium - oxamate complex (see paper)
62% identity, 91% coverage: 6:255/274 of query aligns to 11:260/260 of 2v5kA

query
sites
2v5kA

N

E

N

N

R

S

F

F

R

K

N

A

A

A

L

L

R

K

E

A

G

G

Q

R

P

P

Q

Q

I

I

G

G

L

L

W

W

V

L

G

G

L

L

A

S

D

S

A

S

N

Y

A

S

A

A

E

E

A

L

L

L

A

A

G

G

C

A

G

G

F

F

D

D

W

W

L

L

L

I

D

D

G

G

E

E

H
|
H

A

A

P

P

N

N

D

N

V

V

R

Q

S

T

V

V

L

L

D

T

Q

Q

L

L

R

Q

A

A

V

I

A

A

P

P

Y

Y

P

P

A

S

H

Q

P

P

V

V

R
|
R

P

P

V

S

Q

W

A

N

D

D

V

P

A

V

L

Q

V

I

K

K

Q

Q

Y

L

L

L

D
|
D

V

V

G

G

A

T

Q

Q

T

T

L

L

I

V

P

P

M

M

V

V

D

Q

T

N

P

A

E

D

Q

E

A

A

A

R

L

E

M

A

V

V

R

R

A

A

M

T

R

R

Y

Y

A

P

P

P

E

A

G

G

I

I

R

R

G

G

M

V

G

G

A

S

A

A

L

L

A

A

R

R

A

A

S

S

R

R

W

W

N

N

Q

R

V

I

E

P

D

D

Y

Y

L

L

N

Q

C

K

A

A

N

N

G

D

E

Q

M

M

C

C

L

V

L

L

V

V

Q

Q

A

I

E
|
E

T

T

P

R

L

E

A

A

M

M

Q

K

N

N

L

L

Q

P

A

Q

I

I

A

L

A

D

T

V

D

E

G

G

V

V

D

D

G

G

V

V

F

F

F

I

G

G

P

P

A

A

D
|
D

L

L

S

S

A

A

S

D

M

M

G

G

Y

Y

R

A

G

G

Q

N

A

P

S

Q

H

H

P

P

A

E

V

V

Q

Q

R

A

A

A

I

I

L

E

E

Q

G

A

I

I

A

V

T

Q

V

I

R

R

A

E

V

S

G

G

K

K

A

A

P

P

G

G

I

I

L

L

M

I

A

A

D

N

R

E

Q

Q

L

L

A

A

Q

K

S

R

Y

Y

L

L

D

E

A

L

G

G

A

A

L

L

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

L

L

V

A

R

R

S

A

A

A

T

E

E

A

L

L

A

A

R

A

S

R

F

F

G

G

active site: H54 (= H49), R79 (= R74), D93 (= D88), E158 (= E153), D184 (= D179)
binding magnesium ion: E158 (= E153), D184 (= D179)

4b5vA Crystal structures of divalent metal dependent pyruvate aldolase, hpai, in complex with 4-hydroxyl-2-ketoheptane-1,7-dioate (see paper)
62% identity, 91% coverage: 6:255/274 of query aligns to 2:251/251 of 4b5vA

query
sites
4b5vA

N

E

N

N

R

S

F

F

R

K

N

A

A

A

L

L

R

K

E

A

G

G

Q

R

P

P

Q

Q

I

I

G

G

L

L

W
|
W

V

L

G

G

L

L

A

S

D

S

A

S

N

Y

A

S

A

A

E

E

A

L

L

L

A

A

G

G

C

A

G

G

F

F

D

D

W

W

L

L

L

I

D

D

G

G

E

E

H
|
H

A

A

P

P

N

N

D

N

V

V

R

Q

S

T

V

V

L

L

D

T

Q

Q

L

L

R

Q

A

A

V

I

A

A

P

P

Y

Y

P

P

A

S

H

Q

P

P

V

V

R
|
R

P

P

V

S

Q

W

A

N

D

D

V

P

A

V

L

Q

V

I

K

K

Q

Q

Y

L

L

L

D
|
D

V

V

G

G

A

T

Q

Q

T

T

L

L

I

V

P

P

M

M

V

V

D

Q

T

N

P

A

E

D

Q

E

A

A

A

R

L

E

M

A

V

V

R

R

A

A

M

T

R

R

Y

Y

A

P

P

P

E

A

G

G

I

I

R

R

G

G

M

V

G

G

A

S

A

A

L

L

A

A

R

R

A

A

S

S

R

R

W

W

N

N

Q

R

V

I

E

P

D

D

Y

Y

L

L

N

Q

C

K

A

A

N

N

G

D

E

Q

M

M

C

C

L

V

L

L

V

V

Q
|
Q

A

I

E
|
E

T

T

P

R

L

E

A

A

M

M

Q

K

N

N

L

L

Q

P

A

Q

I

I

A

L

A

D

T

V

D

E

G

G

V

V

D

D

G

G

V

V

F
|
F

F

I

G
|
G

P
|
P

A
|
A

D
|
D

L

L

S

S

A

A

S

D

M

M

G

G

Y

Y

R

A

G

G

Q

N

A

P

S

Q

H

H

P

P

A

E

V

V

Q

Q

R

A

A

A

I

I

L

E

E

Q

G

A

I

I

A

V

T

Q

V

I

R

R

A

E

V

S

G

G

K

K

A

A

P

P

G

G

I

I

L
|
L

M

I

A

A

D

N

R

E

Q

Q

L

L

A

A

Q

K

S

R

Y

Y

L

L

D

E

A

L

G

G

A

A

L

L

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

L

L

V

A

R

R

S

A

A

A

T

E

E

A

L

L

A

A

R

A

S

R

F

F

G

G

active site: H45 (= H49), R70 (= R74), D84 (= D88), E149 (= E153), D175 (= D179)
binding (4R)-4-oxidanyl-2-oxidanylidene-heptanedioic acid: H45 (= H49), R70 (= R74), E149 (= E153), G172 (= G176), P173 (= P177), A174 (= A178), D175 (= D179), L212 (= L216)
binding magnesium ion: E149 (= E153), D175 (= D179)
binding pyruvic acid: W19 (= W23), R70 (= R74), Q147 (= Q151), E149 (= E153), F170 (= F174), G172 (= G176), P173 (= P177), A174 (= A178), D175 (= D179), L212 (= L216)

4b5uA Crystal structures of divalent metal dependent pyruvate aldolase, hpai, in complex with pyruvate and succinic semialdehyde (see paper)
62% identity, 91% coverage: 6:255/274 of query aligns to 2:251/251 of 4b5uA

query
sites
4b5uA

N

E

N

N

R

S

F

F

R

K

N

A

A

A

L

L

R

K

E

A

G

G

Q

R

P

P

Q

Q

I

I

G

G

L

L

W
|
W

V

L

G

G

L

L

A

S

D

S

A

S

N

Y

A

S

A

A

E

E

A

L

L

L

A

A

G

G

C

A

G

G

F

F

D

D

W

W

L

L

L

I

D

D

G

G

E

E

H
|
H

A

A

P

P

N

N

D

N

V

V

R

Q

S

T

V

V

L

L

D

T

Q

Q

L

L

R

Q

A

A

V

I

A

A

P

P

Y

Y

P

P

A

S

H

Q

P

P

V

V

R
|
R

P

P

V

S

Q

W

A

N

D

D

V

P

A

V

L

Q

V

I

K

K

Q

Q

Y

L

L

L

D
|
D

V

V

G

G

A

T

Q

Q

T

T

L

L

I

V

P

P

M

M

V

V

D

Q

T

N

P

A

E

D

Q

E

A

A

A

R

L

E

M

A

V

V

R

R

A

A

M

T

R

R

Y

Y

A

P

P

P

E

A

G

G

I

I

R

R

G

G

M

V

G

G

A

S

A

A

L

L

A

A

R

R

A

A

S

S

R

R

W

W

N

N

Q

R

V

I

E

P

D

D

Y

Y

L

L

N

Q

C

K

A

A

N

N

G

D

E

Q

M

M

C

C

L

V

L

L

V

V

Q
|
Q

A

I

E
|
E

T

T

P

R

L

E

A

A

M

M

Q

K

N

N

L

L

Q

P

A

Q

I

I

A

L

A

D

T

V

D

E

G

G

V

V

D

D

G

G

V

V

F
|
F

F

I

G
|
G

P
|
P

A
|
A

D
|
D

L

L

S

S

A

A

S

D

M

M

G

G

Y

Y

R

A

G

G

Q

N

A

P

S

Q

H

H

P

P

A

E

V

V

Q

Q

R

A

A

A

I

I

L

E

E

Q

G

A

I

I

A

V

T

Q

V

I

R

R

A

E

V

S

G

G

K

K

A

A

P

P

G

G

I

I

L
|
L

M

I

A

A

D

N

R

E

Q

Q

L

L

A

A

Q

K

S

R

Y

Y

L

L

D

E

A

L

G

G

A

A

L

L

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

L

L

V

A

R

R

S

A

A

A

T

E

E

A

L

L

A

A

R

A

S

R

F

F

G

G

active site: H45 (= H49), R70 (= R74), D84 (= D88), E149 (= E153), D175 (= D179)
binding cobalt (ii) ion: E149 (= E153), D175 (= D179)
binding magnesium ion: E149 (= E153), D175 (= D179)
binding pyruvic acid: W19 (= W23), R70 (= R74), Q147 (= Q151), E149 (= E153), F170 (= F174), G172 (= G176), P173 (= P177), A174 (= A178), D175 (= D179), L212 (= L216)
binding 4-oxobutanoic acid: R70 (= R74), L212 (= L216)

4b5tA Crystal structures of divalent metal dependent pyruvate aldolase, hpai, in complex with ketobutyrate (see paper)
62% identity, 91% coverage: 6:255/274 of query aligns to 2:251/251 of 4b5tA

query
sites
4b5tA

N

E

N

N

R

S

F

F

R

K

N

A

A

A

L

L

R

K

E

A

G

G

Q

R

P

P

Q

Q

I

I

G

G

L

L

W
|
W

V

L

G

G

L

L

A

S

D

S

A

S

N

Y

A

S

A

A

E

E

A

L

L

L

A

A

G

G

C

A

G

G

F

F

D

D

W

W

L

L

L

I

D

D

G

G

E

E

H
|
H

A

A

P

P

N

N

D

N

V

V

R

Q

S

T

V

V

L

L

D

T

Q

Q

L

L

R

Q

A

A

V

I

A

A

P

P

Y

Y

P

P

A

S

H

Q

P

P

V

V

R
|
R

P

P

V

S

Q

W

A

N

D

D

V

P

A

V

L

Q

V

I

K

K

Q

Q

Y

L

L

L

D
|
D

V

V

G

G

A

T

Q

Q

T

T

L

L

I

V

P

P

M

M

V

V

D

Q

T

N

P

A

E

D

Q

E

A

A

A

R

L

E

M

A

V

V

R

R

A

A

M

T

R

R

Y

Y

A

P

P

P

E

A

G

G

I

I

R

R

G

G

M

V

G

G

A

S

A

A

L

L

A

A

R

R

A

A

S

S

R

R

W

W

N

N

Q

R

V

I

E

P

D

D

Y

Y

L

L

N

Q

C

K

A

A

N

N

G

D

E

Q

M

M

C

C

L

V

L

L

V

V

Q
|
Q

A

I

E
|
E

T

T

P

R

L

E

A

A

M

M

Q

K

N

N

L

L

Q

P

A

Q

I

I

A

L

A

D

T

V

D

E

G

G

V

V

D

D

G

G

V

V

F
|
F

F

I

G
|
G

P
|
P

A
|
A

D
|
D

L

L

S

S

A

A

S

D

M

M

G

G

Y

Y

R

A

G

G

Q

N

A

P

S

Q

H

H

P

P

A

E

V

V

Q

Q

R

A

A

A

I

I

L

E

E

Q

G

A

I

I

A

V

T

Q

V

I

R

R

A

E

V

S

G

G

K

K

A

A

P

P

G

G

I

I

L
|
L

M

I

A

A

D

N

R

E

Q

Q

L

L

A

A

Q

K

S

R

Y

Y

L

L

D

E

A

L

G

G

A

A

L

L

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

L

L

V

A

R

R

S

A

A

A

T

E

E

A

L

L

A

A

R

A

S

R

F

F

G

G

active site: H45 (= H49), R70 (= R74), D84 (= D88), E149 (= E153), D175 (= D179)
binding 2-ketobutyric acid: W19 (= W23), R70 (= R74), Q147 (= Q151), E149 (= E153), F170 (= F174), G172 (= G176), P173 (= P177), A174 (= A178), D175 (= D179), L212 (= L216)
binding cobalt (ii) ion: E149 (= E153), D175 (= D179)
binding magnesium ion: E149 (= E153), D175 (= D179)

4b5sA Crystal structures of divalent metal dependent pyruvate aldolase, hpai, in complex with pyruvate (see paper)
62% identity, 91% coverage: 6:255/274 of query aligns to 2:251/251 of 4b5sA

query
sites
4b5sA

N

E

N

N

R

S

F

F

R

K

N

A

A

A

L

L

R

K

E

A

G

G

Q

R

P

P

Q

Q

I

I

G

G

L

L

W
|
W

V

L

G

G

L

L

A

S

D
x
S

A

S

N
x
Y

A

S

A

A

E

E

A

L

L

L

A

A

G

G

C

A

G

G

F

F

D

D

W

W

L

L

L

I

D

D

G

G

E

E

H
|
H

A

A

P

P

N

N

D

N

V

V

R

Q

S

T

V

V

L

L

D

T

Q

Q

L

L

R

Q

A

A

V

I

A

A

P

P

Y

Y

P

P

A

S

H

Q

P

P

V

V

R
|
R

P

P

V

S

Q

W

A

N

D

D

V

P

A

V

L

Q

V

I

K

K

Q

Q

Y

L

L

L

D
|
D

V

V

G

G

A

T

Q

Q

T

T

L

L

I

V

P

P

M

M

V

V

D

Q

T

N

P

A

E

D

Q

E

A

A

A

R

L

E

M

A

V

V

R

R

A

A

M

T

R

R

Y

Y

A

P

P

P

E

A

G

G

I

I

R

R

G

G

M

V

G

G

A

S

A

A

L

L

A

A

R

R

A

A

S

S

R

R

W

W

N

N

Q

R

V

I

E

P

D

D

Y

Y

L

L

N

Q

C

K

A

A

N

N

G

D

E

Q

M

M

C

C

L

V

L

L

V

V

Q
|
Q

A

I

E
|
E

T

T

P

R

L

E

A

A

M

M

Q

K

N

N

L

L

Q

P

A

Q

I

I

A

L

A

D

T

V

D

E

G

G

V

V

D

D

G

G

V

V

F
|
F

F

I

G
|
G

P
|
P

A
|
A

D
|
D

L

L

S

S

A

A

S

D

M

M

G

G

Y

Y

R

A

G

G

Q

N

A

P

S

Q

H

H

P

P

A

E

V

V

Q

Q

R

A

A

A

I

I

L

E

E

Q

G

A

I

I

A

V

T

Q

V

I

R

R

A

E

V

S

G

G

K

K

A

A

P

P

G

G

I

I

L
|
L

M

I

A

A

D

N

R

E

Q

Q

L

L

A

A

Q

K

S

R

Y

Y

L

L

D

E

A

L

G

G

A

A

L

L

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

L

L

V

A

R

R

S

A

A

A

T

E

E

A

L

L

A

A

R

A

S

R

F

F

G

G

active site: H45 (= H49), R70 (= R74), D84 (= D88), E149 (= E153), D175 (= D179)
binding D-Glyceraldehyde: S24 (≠ D28), Y26 (≠ N30)
binding cobalt (ii) ion: E149 (= E153), D175 (= D179)
binding magnesium ion: E149 (= E153), D175 (= D179)
binding pyruvic acid: W19 (= W23), R70 (= R74), Q147 (= Q151), E149 (= E153), F170 (= F174), G172 (= G176), P173 (= P177), A174 (= A178), D175 (= D179), L212 (= L216)

P76469 2-keto-3-deoxy-L-rhamnonate aldolase; KDR aldolase; 2-dehydro-3-deoxyrhamnonate aldolase; 2-keto-3-deoxy acid sugar aldolase; EC 4.1.2.53 from Escherichia coli (strain K12) (see paper)
54% identity, 88% coverage: 1:242/274 of query aligns to 1:242/267 of P76469

query
sites
P76469

M

M

M

N

Q

A

I

L

P

L

N

S

N

N

R

P

F

F

R

K

N

E

A

R

L

L

R

R

E

K

G

G

Q

E

P

V

Q

Q

I

I

G

G

L

L

W

W

V

L

G

S

L

S

A

T

D

T

A

A

N

Y

A

M

A

A

E

E

A

I

L

A

A

A

G

T

C

S

G

G

F

Y

D

D

W

W

L

L

L

I

D

D

G

G

E

E

H
|
H

A

A

P

P

N

N

D

T

V

I

R

Q

S

D

V

L

L

Y

D

H

Q

Q

L

L

R

Q

A

A

V

V

A

A

P

P

Y

Y

P

A

A

S

H

Q

P

P

V

V

V

I

R
|
R

P

P

V

V

Q

E

A

G

D

S

V

K

A

P

L

L

V

I

K

K

Q

Q

Y

V

L

L

D

D

V

I

G

G

A

A

Q

Q

T

T

L

L

I

I

P

P

M

M

V

V

D

D

T

T

P

A

E

E

Q

Q

A

A

A

R

L

Q

M

V

V

V

R

S

A

A

M

T

R

R

Y

Y

A

P

P

P

E

Y

G

G

I

E

R

R

G

G

M

V

G

G

A

A

A

S

L

V

A

A

R

R

A

A

S

A

R

R

W

W

N

G

Q

R

V

I

E

E

D

N

Y

Y

L

M

N

A

C

Q

A

V

N

N

G

D

E

S

M

L

C

C

L

L

V

V

Q

Q

A

V

E
|
E

T

S

P

K

L

T

A

A

M

L

Q

D

N

N

L

L

Q

D

A

E

I

I

A

L

A

D

T

V

D

E

G

G

V

I

D

D

G

G

V

V

F

F

F

I

G

G

P

P

A

A

D
|
D

L

L

S

S

A

A

S

S

M

L

G

G

Y

Y

R

P

G

D

Q

N

A

A

S

G

H

H

P

P

A

E

V

V

Q

Q

R

R

A

I

I

I

L

E

E

T

G

S

I

I

A

R

T

R

V

I

R

R

A

A

V

A

G

G

K

K

A

A

P

A

G

G

I

F

L

L

M

A

A

V

D

A

R

P

Q

D

L

M

A

A

Q

Q

S

Q

Y

C

L

L

D

A

A

W

G

G

A

A

L

N

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

T

M

L

L

H49 (= H49) mutation to A: Loss of 2-keto-3-deoxy-L-rhamnonate aldolase activity.
R74 (= R74) mutation to A: Loss of 2-keto-3-deoxy-L-rhamnonate aldolase activity.
E153 (= E153) binding
D179 (= D179) binding

2vwtA Crystal structure of yfau, a metal ion dependent class ii aldolase from escherichia coli k12 - mg-pyruvate product complex (see paper)
54% identity, 88% coverage: 1:242/274 of query aligns to 1:242/256 of 2vwtA

query
sites
2vwtA

M

M

M

N

Q

A

I

L

P

L

N

S

N

N

R

P

F

F

R

K

N

E

A

R

L

L

R

R

E

K

G

G

Q

E

P

V

Q

Q

I

I

G

G

L

L

W

W

V

L

G

S

L

S

A

T

D

T

A

A

N

Y

A

M

A

A

E

E

A

I

L

A

A

A

G

T

C

S

G

G

F

Y

D

D

W

W

L

L

L

I

D

D

G

G

E

E

H
|
H

A

A

P

P

N

N

D

T

V

I

R

Q

S

D

V

L

L

Y

D

H

Q

Q

L

L

R

Q

A

A

V

V

A

A

P

P

Y

Y

P

A

A

S

H

Q

P

P

V

V

V

I

R
|
R

P

P

V

V

Q

E

A

G

D

S

V

K

A

P

L

L

V

I

K

K

Q

Q

Y

V

L

L

D
|
D

V

I

G

G

A

A

Q

Q

T

T

L

L

I

I

P

P

M

M

V

V

D

D

T

T

P

A

E

E

Q

Q

A

A

A

R

L

Q

M

V

V

V

R

S

A

A

M

T

R

R

Y

Y

A

P

P

P

E

Y

G

G

I

E

R

R

G

G

M

V

G

G

A

A

A

S

L

V

A

A

R

R

A

A

S

A

R

R

W

W

N

G

Q

R

V

I

E

E

D

N

Y

Y

L

M

N

A

C

Q

A

V

N

N

G

D

E

S

M

L

C

C

L

L

V

V

Q
|
Q

A

V

E
|
E

T

S

P

K

L

T

A

A

M

L

Q

D

N

N

L

L

Q

D

A

E

I

I

A

L

A

D

T

V

D

E

G

G

V

I

D

D

G

G

V

V

F
|
F

F

I

G
|
G

P
|
P

A
|
A

D
|
D

L

L

S

S

A

A

S

S

M

L

G

G

Y

Y

R

P

G

D

Q

N

A

A

S

G

H

H

P

P

A

E

V

V

Q

Q

R

R

A

I

I

I

L

E

E

T

G

S

I

I

A

R

T

R

V

I

R

R

A

A

V

A

G

G

K

K

A

A

P

A

G

G

I

F

L
|
L

M

A

A

V

D

A

R

P

Q

D

L

M

A

A

Q

Q

S

Q

Y

C

L

L

D

A

A

W

G

G

A

A

L

N

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

T

M

L

L

active site: H49 (= H49), R74 (= R74), D88 (= D88), E153 (= E153), D179 (= D179)
binding magnesium ion: E153 (= E153), D179 (= D179)
binding pyruvic acid: Q151 (= Q151), E153 (= E153), F174 (= F174), G176 (= G176), P177 (= P177), A178 (= A178), D179 (= D179), L216 (= L216)

1dxfA 2-dehydro-3-deoxy-galactarate aldolase from escherichia coli in complex with pyruvate (see paper)
44% identity, 91% coverage: 7:256/274 of query aligns to 5:253/253 of 1dxfA

query
sites
1dxfA

N

N

R

K

F

F

R

K

N

A

A

A

L

L

R

A

E

A

G

K

Q

Q

P

V

Q

Q

I

I

G

G

L

C

W

W

V

S

G

A

L

L

A

S

D

N

A

P

N

I

A

S

A

T

E

E

A

V

L

L

A

G

G

L

C

A

G

G

F

F

D

D

W

W

L

L

L

V

L

L

D

D

G

G

E

E

H
|
H