SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 16352 b2245 predicted 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase (NCBI) 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)

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)
100% identity, 100% coverage: 1:267/267 of query aligns to 1:267/267 of P76469

query
sites
P76469

M

M

N

N

A

A

L

L

S

S

N

N

P

P

F

F

K

K

E

E

R

R

L

L

R

R

K

K

G

G

E

E

V

V

Q

Q

I

I

G

G

L

L

W

W

L

L

S

S

T

T

A

A

Y

Y

M

M

A

A

E

E

I

I

A

A

T

T

S

S

G

G

Y

Y

D

D

W

W

L

L

I

I

D

D

G

G

E

E

H
|
H

A

A

P

P

N

N

T

T

I

I

Q

Q

D

D

L

L

Y

Y

H

H

Q

Q

L

L

Q

Q

A

A

V

V

A

A

P

P

Y

Y

A

A

S

S

Q

Q

P

P

V

V

I

I

R
|
R

P

P

V

V

E

E

G

G

S

S

K

K

P

P

L

L

I

I

K

K

Q

Q

V

V

L

L

D

D

I

I

G

G

A

A

Q

Q

T

T

L

L

I

I

P

P

M

M

V

V

D

D

T

T

A

A

E

E

Q

Q

A

A

R

R

Q

Q

V

V

S

S

A

A

T

T

R

R

Y

Y

P

P

Y

Y

G

G

E

E

R

R

G

G

V

V

G

G

A

A

S

S

V

V

A

A

R

R

A

A

R

R

W

W

G

G

R

R

I

I

E

E

N

N

Y

Y

M

M

A

A

Q

Q

V

V

N

N

D

D

S

S

L

L

C

C

L

L

V

V

Q

Q

V

V

E
|
E

S

S

K

K

T

T

A

A

L

L

D

D

N

N

L

L

D

D

E

E

I

I

L

L

D

D

V

V

E

E

G

G

I

I

D

D

G

G

V

V

F

F

I

I

G

G

P

P

A

A

D
|
D

L

L

S

S

A

A

S

S

L

L

G

G

Y

Y

P

P

D

D

N

N

A

A

G

G

H

H

P

P

E

E

V

V

Q

Q

R

R

I

I

E

E

T

T

S

S

I

I

R

R

I

I

R

R

A

A

G

G

K

K

A

A

G

G

F

F

L

L

A

A

V

V

A

A

P

P

D

D

M

M

A

A

Q

Q

C

C

L

L

A

A

W

W

G

G

A

A

N

N

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

M

M

L

L

Y

Y

S

S

D

D

A

A

L

L

D

D

Q

Q

R

R

L

L

A

A

M

M

F

F

K

K

S

S

G

G

K

K

N

N

G

G

P

P

R

R

I

I

K

K

G

G

S

S

Y

Y

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)
100% identity, 96% coverage: 1:256/267 of query aligns to 1:256/256 of 2vwtA

query
sites
2vwtA

M

M

N

N

A

A

L

L

S

S

N

N

P

P

F

F

K

K

E

E

R

R

L

L

R

R

K

K

G

G

E

E

V

V

Q

Q

I

I

G

G

L

L

W

W

L

L

S

S

T

T

A

A

Y

Y

M

M

A

A

E

E

I

I

A

A

T

T

S

S

G

G

Y

Y

D

D

W

W

L

L

I

I

D

D

G

G

E

E

H
|
H

A

A

P

P

N

N

T

T

I

I

Q

Q

D

D

L

L

Y

Y

H

H

Q

Q

L

L

Q

Q

A

A

V

V

A

A

P

P

Y

Y

A

A

S

S

Q

Q

P

P

V

V

I

I

R
|
R

P

P

V

V

E

E

G

G

S

S

K

K

P

P

L

L

I

I

K

K

Q

Q

V

V

L

L

D
|
D

I

I

G

G

A

A

Q

Q

T

T

L

L

I

I

P

P

M

M

V

V

D

D

T

T

A

A

E

E

Q

Q

A

A

R

R

Q

Q

V

V

S

S

A

A

T

T

R

R

Y

Y

P

P

Y

Y

G

G

E

E

R

R

G

G

V

V

G

G

A

A

S

S

V

V

A

A

R

R

A

A

R

R

W

W

G

G

R

R

I

I

E

E

N

N

Y

Y

M

M

A

A

Q

Q

V

V

N

N

D

D

S

S

L

L

C

C

L

L

V

V

Q

Q

V

V

E
|
E

S

S

K

K

T

T

A

A

L

L

D

D

N

N

L

L

D

D

E

E

I

I

L

L

D

D

V

V

E

E

G

G

I

I

D

D

G

G

V

V

F
|
F

I

I

G
|
G

P
|
P

A

A

D
|
D

L

L

S

S

A

A

S

S

L

L

G

G

Y

Y

P

P

D

D

N

N

A

A

G

G

H

H

P

P

E

E

V

V

Q

Q

R

R

I

I

E

E

T

T

S

S

I

I

R

R

I

I

R

R

A

A

G

G

K

K

A

A

G

G

F

F

L
|
L

A

A

V

V

A

A

P

P

D

D

M

M

A

A

Q

Q

C

C

L

L

A

A

W

W

G

G

A

A

N

N

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

M

M

L

L

Y

Y

S

S

D

D

A

A

L

L

D

D

Q

Q

R

R

L

L

A

A

M

M

F

F

K

K

S

S

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

7et9A Crystal structure of abhpai-zn-pyruvate complex, class ii aldolase, hpai from acinetobacter baumannii (see paper)
61% identity, 94% coverage: 7:256/267 of query aligns to 6:254/254 of 7et9A

query
sites
7et9A

N

N

P

Y

F

F

K

K

E

Q

R

K

L

L

R

-

K

K

G

T

E

E

V

Q

Q

Q

I

I

G

G

L

M

W

W

L

V

S

G

S

L

T

A

T

D

A

G

Y

Y

M

C

A

A

E

E

I

I

A

A

T

N

S

V

G

G

Y

Y

D

D

W

W

L

L

I

I

D

D

G

G

E

E

H

H

A

A

P

P

N

N

T

D

I

V

Q

R

D

S

L

I

Y

L

H

A

Q

Q

L

L

Q

Q

A

S

V

I

A

A

P

A

Y

Y

A

P

S

S

Q

Q

P

A

V

V

I

V

R
|
R

P

P

V

V

E

S

G

G

S

D

K

V

P

P

L

L

I

I

K

K

Q

Q

V

L

L

L

D

D

I

I

G

G

A

A

Q

Q

T

T

L

L

I

I

P

P

M

M

V

V

D

E

T

S

A

A

E

E

Q

Q

A

A

R

E

Q

L

V

M

V

V

S

K

A

A

T

T

R

R

Y

Y

P

P

Y

E

G

G

E

I

R

R

G

G

V

V

G

G

A

A

S

A

V

L

A

A

R

R

A

A

A

S

R

R

W

W

G

N

R

N

I

I

E

S

N

D

Y

Y

M

L

A

Q

Q

T

V

A

N

D

D

E

S

Q

L

I

C

C

L

L

V

V

Q

Q

V

V

E
|
E

S

S

K

K

T

K

A

G

L

L

D

D

N

N

L

L

D

D

E

E

I

I

L

L

D

N

V

V

E

D

G

G

I

V

D

D

G

G

V

I

F

F

I

I

G
|
G

P
|
P

A
|
A

D
|
D

L

L

S

S

A

A

S

A

L

L

G

G

Y

Y

P

R

D

G

N

N

A

P

G

G

H

H

P

E

E

F

V

V

Q

Q

R

N

I

I

E

V

T

Q

S

T

I

I

R

Q

R

K

I

I

R

R

A

A

G

G

K

K

A

A

G

G

F

I

L

L

A

S

V

A

A

D

P

E

D

K

M

L

A

A

Q

K

Q

Q

C

Y

L

L

A

E

W

L

G

G

A

T

N

E

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

M

S

L

L

Y

L

S

M

D

K

A

S

L

M

D

K

Q

Q

R

L

L

L

A

S

M

K

F

F

K

K

S

N

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

7etiA Crystal structure of abhpai-zn-pyruvate-4-hydroxybenzaldehyde complex, class ii aldolase, hpai from acinetobacter baumannii (see paper)
61% identity, 93% coverage: 7:255/267 of query aligns to 6:253/253 of 7etiA

query
sites
7etiA

N

N

P

Y

F

F

K

K

E

Q

R

K

L

L

R

-

K

K

G

T

E

E

V

Q

Q

Q

I

I

G

G

L

M

W

W

L

V

S

G

S

L

T

A

T

D

A

G

Y

Y

M

C

A

A

E

E

I

I

A

A

T

N

S

V

G

G

Y

Y

D

D

W

W

L

L

I

I

D

D

G

G

E

E

H

H

A

A

P

P

N

N

T

D

I

V

Q

R

D

S

L

I

Y

L

H

A

Q

Q

L

L

Q

Q

A

S

V

I

A

A

P

A

Y

Y

A

P

S

S

Q

Q

P

A

V

V

I

V

R
|
R

P

P

V

V

E

S

G

G

S

D

K

V

P

P

L

L

I

I

K

K

Q

Q

V

L

L

L

D

D

I

I

G

G

A

A

Q

Q

T

T

L

L

I

I

P

P

M

M

V

V

D

E

T

S

A

A

E

E

Q

Q

A

A

R

E

Q

L

V

M

V

V

S

K

A

A

T

T

R

R

Y

Y

P

P

Y

E

G

G

E

I

R

R

G

G

V

V

G
|
G

A

A

S
x
A

V
x
L

A

A

R

R

A

A

A

S

R

R

W

W

G

N

R

N

I

I

E

S

N

D

Y

Y

M

L

A

Q

Q

T

V

A

N

D

D

E

S

Q

L

I

C

C

L

L

V

V

Q

Q

V

V

E
|
E

S

S

K

K

T

K

A

G

L

L

D

D

N

N

L

L

D

D

E

E

I

I

L

L

D

N

V

V

E

D

G

G

I

V

D

D

G

G

V

I

F

F

I

I

G
|
G

P
|
P

A
|
A

D
|
D

L

L

S

S

A

A

S

A

L

L

G

G

Y

Y

P

R

D

G

N

N

A

P

G

G

H

H

P

E

E

F

V

V

Q

Q

R

N

I

I

E

V

T

Q

S

T

I

I

R

Q

R

K

I

I

R

R

A

A

G

G

K

K

A

A

G

G

F

I

L
|
L

A

S

V

A

A

D

P

E

D

K

M

L

A

A

Q

K

Q

Q

C

Y

L

L

A

E

W

L

G

G

A

T

N

E

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

M

S

L

L

Y

L

S

M

D

K

A

S

L

M

D

K

Q

Q

R

L

L

L

A

S

M

K

F

F

K

K

binding p-hydroxybenzaldehyde: R72 (= R74), G121 (= G123), A123 (≠ S125), L124 (≠ V126), L214 (= L216)
binding pyruvic acid: E151 (= E153), G174 (= G176), P175 (= P177), A176 (= A178), D177 (= D179)
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)
61% identity, 93% coverage: 7:255/267 of query aligns to 6:253/253 of 7etfA

query
sites
7etfA

N

N

P

Y

F

F

K

K

E

Q

R

K

L

L

R

-

K

K

G

T

E

E

V

Q

Q

Q

I

I

G

G

L

M

W

W

L

V

S

G

S

L

T

A

T

D

A

G

Y

Y

M

C

A

A

E

E

I

I

A

A

T

N

S

V

G

G

Y

Y

D

D

W

W

L

L

I

I

D

D

G

G

E

E

H

H

A

A

P

P

N

N

T

D

I

V

Q

R

D

S

L

I

Y

L

H

A

Q

Q

L

L

Q

Q

A

S

V

I

A

A

P

A

Y

Y

A

P

S

S

Q

Q

P

A

V

V

I

V

R

R

P

P

V

V

E

S

G

G

S

D

K

V

P

P

L

L

I

I

K

K

Q

Q

V

L

L

L

D

D

I

I

G

G

A

A

Q

Q

T

T

L

L

I

I

P

P

M

M

V

V

D

E

T

S

A

A

E

E

Q

Q

A

A

R

E

Q

L

V

M

V

V

S

K

A

A

T

T

R

R

Y

Y

P

P

Y

E

G

G

E

I

R

R

G

G

V

V

G
|
G

A
|
A

S
x
A

V
x
L

A

A

R

R

A

A

A

S

R

R

W

W

G

N

R

N

I

I

E

S

N

D

Y

Y

M

L

A

Q

Q

T

V

A

N

D

D

E

S

Q

L

I

C

C

L

L

V

V

Q

Q

V

V

E
|
E

S

S

K

K

T

K

A

G

L

L

D

D

N

N

L

L

D

D

E

E

I

I

L

L

D

N

V

V

E

D

G

G

I

V

D

D

G

G

V

I

F
|
F

I

I

G
|
G

P
|
P

A
|
A

D
|
D

L

L

S

S

A

A

S

A

L

L

G

G

Y

Y

P

R

D

G

N

N

A

P

G

G

H

H

P

E

E

F

V

V

Q

Q

R

N

I

I

E

V

T

Q

S

T

I

I

R

Q

R

K

I

I

R

R

A

A

G

G

K

K

A

A

G

G

F

I

L

L

A

S

V

A

A

D

P

E

D

K

M

L

A

A

Q

K

Q

Q

C

Y

L

L

A

E

W

L

G

G

A

T

N

E

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

M

S

L

L

Y

L

S

M

D

K

A

S

L

M

D

K

Q

Q

R

L

L

L

A

S

M

K

F

F

K

K

binding manganese (ii) ion: E151 (= E153), D177 (= D179)
binding pyruvic acid: E151 (= E153), F172 (= F174), G174 (= G176), P175 (= P177), A176 (= A178), D177 (= D179)
binding 4-oxobutanoic acid: G121 (= G123), A122 (= A124), A123 (≠ S125), L124 (≠ V126)

7eteA Crystal structure of abhpai-mg-(4r)-kdgal complex, class ii aldolase, hpai from acinetobacter baumannii (see paper)
61% identity, 93% coverage: 7:255/267 of query aligns to 6:253/253 of 7eteA

query
sites
7eteA

N

N

P

Y

F

F

K

K

E

Q

R

K

L

L

R

-

K

K

G

T

E

E

V

Q

Q

Q

I

I

G

G

L

M

W

W

L

V

S

G

S

L

T

A

T

D

A

G

Y

Y

M

C

A

A

E

E

I

I

A

A

T

N

S

V

G

G

Y

Y

D

D

W

W

L

L

I

I

D

D

G

G

E

E

H

H

A

A

P

P

N

N

T

D

I

V

Q

R

D

S

L

I

Y

L

H

A

Q

Q

L

L

Q

Q

A

S

V

I

A

A

P

A

Y

Y

A

P

S

S

Q

Q

P

A

V

V

I

V

R
|
R

P

P

V

V

E

S

G

G

S

D

K

V

P

P

L

L

I

I

K

K

Q

Q

V

L

L

L

D

D

I

I

G

G

A

A

Q

Q

T

T

L

L

I

I

P

P

M

M

V

V

D

E

T

S

A

A

E

E

Q

Q

A

A

R

E

Q

L

V

M

V

V

S

K

A

A

T

T

R

R

Y

Y

P

P

Y

E

G

G

E

I

R

R

G

G

V

V

G
|
G

A

A

S
x
A

V

L

A

A

R

R

A

A

A

S

R

R

W

W

G

N

R

N

I

I

E

S

N

D

Y

Y

M

L

A

Q

Q

T

V

A

N

D

D

E

S

Q

L

I

C

C

L

L

V

V

Q

Q

V

V

E
|
E

S

S

K

K

T

K

A

G

L

L

D

D

N

N

L

L

D

D

E

E

I

I

L

L

D

N

V

V

E

D

G

G

I

V

D

D

G

G

V

I

F

F

I

I

G
|
G

P
|
P

A
|
A

D
|
D

L

L

S

S

A

A

S

A

L

L

G

G

Y

Y

P

R

D

G

N

N

A

P

G

G

H

H

P

E

E

F

V

V

Q

Q

R

N

I

I

E

V

T

Q

S

T

I

I

R

Q

R

K

I

I

R

R

A

A

G

G

K

K

A

A

G

G

F

I

L
|
L

A

S

V

A

A

D

P

E

D

K

M

L

A

A

Q

K

Q

Q

C

Y

L

L

A

E

W

L

G

G

A

T

N

E

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

M

S

L

L

Y

L

S

M

D

K

A

S

L

M

D

K

Q

Q

R

L

L

L

A

S

M

K

F

F

K

K

binding (4R,5R)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid: R72 (= R74), G121 (= G123), A123 (≠ S125), 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)
61% identity, 93% coverage: 7:255/267 of query aligns to 6:253/253 of 7etdA

query
sites
7etdA

N

N

P

Y

F

F

K

K

E

Q

R

K

L

L

R

-

K

K

G

T

E

E

V

Q

Q

Q

I

I

G

G

L

M

W

W

L

V

S

G

S

L

T

A

T

D

A

G

Y

Y

M

C

A

A

E

E

I

I

A

A

T

N

S

V

G

G

Y

Y

D

D

W

W

L

L

I

I

D

D

G

G

E

E

H

H

A

A

P

P

N

N

T

D

I

V

Q

R

D

S

L

I

Y

L

H

A

Q

Q

L

L

Q

Q

A

S

V

I

A

A

P

A

Y

Y

A

P

S

S

Q

Q

P

A

V

V

I

V

R
|
R

P

P

V

V

E

S

G

G

S

D

K

V

P

P

L

L

I

I

K

K

Q

Q

V

L

L

L

D

D

I

I

G

G

A

A

Q

Q

T

T

L

L

I

I

P

P

M

M

V

V

D

E

T

S

A

A

E

E

Q

Q

A

A

R

E

Q

L

V

M

V

V

S

K

A

A

T

T

R

R

Y

Y

P

P

Y

E

G

G

E

I

R

R

G

G

V

V

G

G

A

A

S

A

V

L

A

A

R

R

A

A

A

S

R

R

W

W

G

N

R

N

I

I

E

S

N

D

Y

Y

M

L

A

Q

Q

T

V

A

N

D

D

E

S

Q

L

I

C

C

L

L

V

V

Q
|
Q

V

V

E
|
E

S

S

K

K

T

K

A

G

L

L

D

D

N

N

L

L

D

D

E

E

I

I

L

L

D

N

V

V

E

D

G

G

I

V

D

D

G

G

V

I

F

F

I

I

G
|
G

P
|
P

A
|
A

D
|
D

L

L

S

S

A

A

S

A

L

L

G

G

Y

Y

P

R

D

G

N

N

A

P

G

G

H

H

P

E

E

F

V

V

Q

Q

R

N

I

I

E

V

T

Q

S

T

I

I

R

Q

R

K

I

I

R

R

A

A

G

G

K

K

A

A

G

G

F

I

L
|
L

A

S

V

A

A

D

P

E

D

K

M

L

A

A

Q

K

Q

Q

C

Y

L

L

A

E

W

L

G

G

A

T

N

E

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

M

S

L

L

Y

L

S

M

D

K

A

S

L

M

D

K

Q

Q

R

L

L

L

A

S

M

K

F

F

K

K

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)
61% identity, 93% coverage: 7:255/267 of query aligns to 6:253/253 of 7etcA

query
sites
7etcA

N

N

P

Y

F

F

K

K

E

Q

R

K

L

L

R

-

K

K

G

T

E

E

V

Q

Q

Q

I

I

G

G

L

M

W

W

L

V

S

G

S

L

T

A

T

D

A

G

Y

Y

M

C

A

A

E

E

I

I

A

A

T

N

S

V

G

G

Y

Y

D

D

W

W

L

L

I

I

D

D

G

G

E

E

H

H

A

A

P

P

N

N

T

D

I

V

Q

R

D

S

L

I

Y

L

H

A

Q

Q

L

L

Q

Q

A

S

V

I

A

A

P

A

Y

Y

A

P

S

S

Q

Q

P

A

V

V

I

V

R
|
R

P

P

V

V

E

S

G

G

S

D

K

V

P

P

L

L

I

I

K

K

Q

Q

V

L

L

L

D

D

I

I

G

G

A

A

Q

Q

T

T

L

L

I

I

P

P

M

M

V

V

D

E

T

S

A

A

E

E

Q

Q

A

A

R

E

Q

L

V

M

V

V

S

K

A

A

T

T

R

R

Y

Y

P

P

Y

E

G

G

E

I

R

R

G

G

V

V

G

G

A

A

S

A

V

L

A

A

R

R

A

A

A

S

R

R

W

W

G

N

R

N

I

I

E

S

N

D

Y

Y

M

L

A

Q

Q

T

V

A

N

D

D

E

S

Q

L

I

C

C

L

L

V

V

Q

Q

V

V

E
|
E

S

S

K

K

T

K

A

G

L

L

D

D

N

N

L

L

D

D

E

E

I

I

L

L

D

N

V

V

E

D

G

G

I

V

D

D

G

G

V

I

F

F

I

I

G
|
G

P
|
P

A
|
A

D
|
D

L

L

S

S

A

A

S

A

L

L

G

G

Y

Y

P

R

D

G

N

N

A

P

G

G

H

H

P

E

E

F

V

V

Q

Q

R

N

I

I

E

V

T

Q

S

T

I

I

R

Q

R

K

I

I

R

R

A

A

G

G

K

K

A

A

G

G

F

I

L

L

A

S

V

A

A

D

P

E

D

K

M

L

A

A

Q

K

Q

Q

C

Y

L

L

A

E

W

L

G

G

A

T

N

E

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

M

S

L

L

Y

L

S

M

D

K

A

S

L

M

D

K

Q

Q

R

L

L

L

A

S

M

K

F

F

K

K

binding (4R,5R)-4,5,6-tris(oxidanyl)-2-oxidanylidene-hexanoic acid: R72 (= R74), 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)
61% identity, 93% coverage: 7:255/267 of query aligns to 6:253/253 of 7etbA

query
sites
7etbA

N

N

P

Y

F

F

K

K

E

Q

R

K

L

L

R

-

K

K

G

T

E

E

V

Q

Q

Q

I

I

G

G

L

M

W

W

L

V

S

G

S

L

T

A

T

D

A

G

Y

Y

M

C

A

A

E

E

I

I

A

A

T

N

S

V

G

G

Y

Y

D

D

W

W

L

L

I

I

D

D

G

G

E

E

H

H

A

A

P

P

N

N

T

D

I

V

Q

R

D

S

L

I

Y

L

H

A

Q

Q

L

L

Q

Q

A

S

V

I

A

A

P

A

Y

Y

A

P

S

S

Q

Q

P

A

V

V

I

V

R

R

P

P

V

V

E

S

G

G

S

D

K

V

P

P

L

L

I

I

K

K

Q

Q

V

L

L

L

D

D

I

I

G

G

A

A

Q

Q

T

T

L

L

I

I

P

P

M

M

V

V

D

E

T

S

A

A

E

E

Q

Q

A

A

R

E

Q

L

V

M

V

V

S

K

A

A

T

T

R

R

Y

Y

P

P

Y

E

G

G

E

I

R

R

G

G

V

V

G

G

A

A

S

A

V

L

A

A

R

R

A

A

A

S

R

R

W

W

G

N

R

N

I

I

E

S

N

D

Y

Y

M

L

A

Q

Q

T

V

A

N

D

D

E

S

Q

L

I

C

C

L

L

V

V

Q

Q

V

V

E
|
E

S

S

K

K

T

K

A

G

L

L

D

D

N

N

L

L

D

D

E

E

I

I

L

L

D

N

V

V

E

D

G

G

I

V

D

D

G

G

V

I

F
|
F

I

I

G
|
G

P
|
P

A
|
A

D
|
D

L

L

S

S

A

A

S

A

L

L

G

G

Y

Y

P

R

D

G

N

N

A

P

G

G

H

H

P

E

E

F

V

V

Q

Q

R

N

I

I

E

V

T

Q

S

T

I

I

R

Q

R

K

I

I

R

R

A

A

G

G

K

K

A

A

G

G

F

I

L

L

A

S

V

A

A

D

P

E

D

K

M

L

A

A

Q

K

Q

Q

C

Y

L

L

A

E

W

L

G

G

A

T

N

E

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

M

S

L

L

Y

L

S

M

D

K

A

S

L

M

D

K

Q

Q

R

L

L

L

A

S

M

K

F

F

K

K

binding manganese (ii) ion: E151 (= E153), D177 (= D179)
binding pyruvic acid: E151 (= E153), F172 (= F174), G174 (= G176), P175 (= P177), A176 (= A178), D177 (= D179)

7etaA Crystal structure of abhpai-co-pyruvate complex, class ii aldolase, hpai from acinetobacter baumannii (see paper)
61% identity, 93% coverage: 7:255/267 of query aligns to 6:253/253 of 7etaA

query
sites
7etaA

N

N

P

Y

F

F

K

K

E

Q

R

K

L

L

R

-

K

K

G

T

E

E

V

Q

Q

Q

I

I

G

G

L

M

W

W

L

V

S

G

S

L

T

A

T

D

A

G

Y

Y

M

C

A

A

E

E

I

I

A

A

T

N

S

V

G

G

Y

Y

D

D

W

W

L

L

I

I

D

D

G

G

E

E

H

H

A

A

P

P

N

N

T

D

I

V

Q

R

D

S

L

I

Y

L

H

A

Q

Q

L

L

Q

Q

A

S

V

I

A

A

P

A

Y

Y

A

P

S

S

Q

Q

P

A

V

V

I

V

R

R

P

P

V

V

E

S

G

G

S

D

K

V

P

P

L

L

I

I

K

K

Q

Q

V

L

L

L

D

D

I

I

G

G

A

A

Q

Q

T

T

L

L

I

I

P

P

M

M

V

V

D

E

T

S

A

A

E

E

Q

Q

A

A

R

E

Q

L

V

M

V

V

S

K

A

A

T

T

R

R

Y

Y

P

P

Y

E

G

G

E

I

R

R

G

G

V

V

G

G

A

A

S

A

V

L

A

A

R

R

A

A

A

S

R

R

W

W

G

N

R

N

I

I

E

S

N

D

Y

Y

M

L

A

Q

Q

T

V

A

N

D

D

E

S

Q

L

I

C

C

L

L

V

V

Q

Q

V

V

E
|
E

S

S

K

K

T

K

A

G

L

L

D

D

N

N

L

L

D

D

E

E

I

I

L

L

D

N

V

V

E

D

G

G

I

V

D

D

G

G

V

I

F

F

I

I

G
|
G

P
|
P

A
|
A

D
|
D

L

L

S

S

A

A

S

A

L

L

G

G

Y

Y

P

R

D

G

N

N

A

P

G

G

H

H

P

E

E

F

V

V

Q

Q

R

N

I

I

E

V

T

Q

S

T

I

I

R

Q

R

K

I

I

R

R

A

A

G

G

K

K

A

A

G

G

F

I

L

L

A

S

V

A

A

D

P

E

D

K

M

L

A

A

Q

K

Q

Q

C

Y

L

L

A

E

W

L

G

G

A

T

N

E

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

M

S

L

L

Y

L

S

M

D

K

A

S

L

M

D

K

Q

Q

R

L

L

L

A

S

M

K

F

F

K

K

binding cobalt (ii) ion: E151 (= E153), D177 (= D179)
binding pyruvic acid: E151 (= E153), G174 (= G176), P175 (= P177), A176 (= A178), D177 (= D179)

7ethA Crystal structure of abhpai-zn-pyruvate-propionaldehyde complex, class ii aldolase, hpai from acinetobacter baumannii (see paper)
61% identity, 93% coverage: 7:255/267 of query aligns to 4:251/251 of 7ethA

query
sites
7ethA

N

N

P

Y

F

F

K

K

E

Q

R

K

L

L

R

-

K

K

G

T

E

E

V

Q

Q

Q

I

I

G

G

L

M

W
|
W

L

V

S

G

S

L

T

A

T

D

A

G

Y

Y

M

C

A

A

E

E

I

I

A

A

T

N

S

V

G

G

Y

Y

D

D

W

W

L

L

I

I

D

D

G

G

E

E

H

H

A

A

P

P

N

N

T

D

I

V

Q

R

D

S

L

I

Y

L

H

A

Q

Q

L

L

Q

Q

A

S

V

I

A

A

P

A

Y

Y

A

P

S

S

Q

Q

P

A

V

V

I

V

R
|
R

P

P

V

V

E

S

G

G

S

D

K

V

P

P

L

L

I

I

K

K

Q

Q

V

L

L

L

D

D

I

I

G

G

A

A

Q

Q

T

T

L

L

I

I

P

P

M

M

V

V

D

E

T

S

A

A

E

E

Q

Q

A

A

R

E

Q

L

V

M

V

V

S

K

A

A

T

T

R

R

Y

Y

P

P

Y

E

G

G

E

I

R

R

G

G

V

V

G

G

A

A

S

A

V

L

A

A

R

R

A

A

A

S

R

R

W

W

G

N

R

N

I

I

E

S

N

D

Y

Y

M

L

A

Q

Q

T

V

A

N

D

D

E

S

Q

L

I

C

C

L

L

V

V

Q

Q

V

V

E
|
E

S

S

K

K

T

K

A

G

L

L

D

D

N

N

L

L

D

D

E

E

I

I

L

L

D

N

V

V

E

D

G

G

I

V

D

D

G

G

V

I

F

F

I

I

G
|
G

P
|
P

A
|
A

D
|
D

L

L

S

S

A

A

S

A

L

L

G

G

Y

Y

P

R

D

G

N

N

A

P

G

G

H

H

P

E

E

F

V

V

Q

Q

R

N

I

I

E

V

T

Q

S

T

I

I

R

Q

R

K

I

I

R

R

A

A

G

G

K

K

A

A

G

G

F

I

L

L

A

S

V

A

A

D

P

E

D

K

M

L

A

A

Q

K

Q

Q

C

Y

L

L

A

E

W

L

G

G

A

T

N

E

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

M

S

L

L

Y

L

S

M

D

K

A

S

L

M

D

K

Q

Q

R

L

L

L

A

S

M

K

F

F

K

K

binding propanal: W19 (= W23), R70 (= R74)
binding pyruvic acid: R70 (= R74), E149 (= E153), G172 (= G176), P173 (= P177), A174 (= A178), D175 (= D179)
binding zinc ion: E149 (= E153), D175 (= D179)

4b5vA Crystal structures of divalent metal dependent pyruvate aldolase, hpai, in complex with 4-hydroxyl-2-ketoheptane-1,7-dioate (see paper)
58% identity, 88% coverage: 5:240/267 of query aligns to 1:236/251 of 4b5vA

query
sites
4b5vA

L

M

S

E

N

N

P

S

F

F

K

K

E

A

R

A

L

L

R

K

K

A

G

G

E

R

V

P

Q

Q

I

I

G

G

L

L

W

W

L

L

S

G

S

L

T

S

A

S

Y

Y

M

S

A

A

E

E

I

L

A

L

A

A

T

G

S

A

G

G

Y

F

D

D

W

W

L

L

I

I

D

D

G

G

E

E

H
|
H

A

A

P

P

N

N

T

N

I

V

Q

Q

D

T

L

V

Y

L

H

T

Q

Q

L

L

Q

Q

A

A

V

I

A

A

P

P

Y

Y

A

P

S

S

Q

Q

P

P

V

V

I

V

R
|
R

P

P

V

S

E

W

G

N

S

D

K

P

P

V

L

Q

I

I

K

K

Q

Q

V

L

L

L

D
|
D

I

V

G

G

A

T

Q

Q

T

T

L

L

I

V

P

P

M

M

V

V

D

Q

T

N

A

A

E

D

Q

E

A

A

R

R

Q

E

V

A

V

V

S

R

A

A

T

T

R

R

Y

Y

P

P

Y

A

G

G

E

I

R

R

G

G

V

V

G

G

A

S

S

A

V

L

A

A

R

R

A

A

A

S

R

R

W

W

G

N

R

R

I

I

E

P

N

D

Y

Y

M

L

A

Q

Q

K

V

A

N

N

D

D

S

Q

L

M

C

C

L

V

L

L

V

V

Q

Q

V

I

E
|
E

S

T

K

R

T

E

A

A

L

M

D

K

N

N

L

L

D

P

E

Q

I

I

L

L

D

D

V

V

E

E

G

G

I

V

D

D

G

G

V

V

F
|
F

I

I

G
|
G

P
|
P

A
|
A

D
|
D

L

L

S

S

A

A

S

D

L

M

G

G

Y

Y

P

A

D

G

N

N

A

P

G

Q

H

H

P

P

E

E

V

V

Q

Q

R

A

I

A

I

I

E

E

T

Q

S

A

I

I

R

V

R

Q

I

I

R

R

A

E

A

S

G

G

K

K

A

A

A

P

G

G

F

I

L
|
L

A

I

V

A

A

N

P

E

D

Q

M

L

A

A

Q

K

Q

R

C

Y

L

L

A

E

W

L

G

G

A

A

N

L

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

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

4b5tA Crystal structures of divalent metal dependent pyruvate aldolase, hpai, in complex with ketobutyrate (see paper)
58% identity, 88% coverage: 5:240/267 of query aligns to 1:236/251 of 4b5tA

query
sites
4b5tA

L

M

S

E

N

N

P

S

F

F

K

K

E

A

R

A

L

L

R

K

K

A

G

G

E

R

V

P

Q

Q

I

I

G

G

L

L

W
|
W

L

L

S

G

S

L

T

S

A

S

Y

Y

M

S

A

A

E

E

I

L

A

L

A

A

T

G

S

A

G

G

Y

F

D

D

W

W

L

L

I

I

D

D

G

G

E

E

H
|
H

A

A

P

P

N

N

T

N

I

V

Q

Q

D

T

L

V

Y

L

H

T

Q

Q

L

L

Q

Q

A

A

V

I

A

A

P

P

Y

Y

A

P

S

S

Q

Q

P

P

V

V

I

V

R
|
R

P

P

V

S

E

W

G

N

S

D

K

P

P

V

L

Q

I

I

K

K

Q

Q

V

L

L

L

D
|
D

I

V

G

G

A

T

Q

Q

T

T

L

L

I

V

P

P

M

M

V

V

D

Q

T

N

A

A

E

D

Q

E

A

A

R

R

Q

E

V

A

V

V

S

R

A

A

T

T

R

R

Y

Y

P

P

Y

A

G

G

E

I

R

R

G

G

V

V

G

G

A

S

S

A

V

L

A

A

R

R

A

A

A

S

R

R

W

W

G

N

R

R

I

I

E

P

N

D

Y

Y

M

L

A

Q

Q

K

V

A

N

N

D

D

S

Q

L

M

C

C

L

V

L

L

V

V

Q

Q

V

I

E
|
E

S

T

K

R

T

E

A

A

L

M

D

K

N

N

L

L

D

P

E

Q

I

I

L

L

D

D

V

V

E

E

G

G

I

V

D

D

G

G

V

V

F
|
F

I

I

G
|
G

P
|
P

A
|
A

D
|
D

L

L

S

S

A

A

S

D

L

M

G

G

Y

Y

P

A

D

G

N

N

A

P

G

Q

H

H

P

P

E

E

V

V

Q

Q

R

A

I

A

I

I

E

E

T

Q

S

A

I

I

R

V

R

Q

I

I

R

R

A

E

A

S

G

G

K

K

A

A

A

P

G

G

F

I

L
|
L

A

I

V

A

A

N

P

E

D

Q

M

L

A

A

Q

K

Q

R

C

Y

L

L

A

E

W

L

G

G

A

A

N

L

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

active site: H45 (= H49), R70 (= R74), D84 (= D88), E149 (= E153), D175 (= D179)
binding 2-ketobutyric acid: W19 (= W23), R70 (= R74), 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)
58% identity, 88% coverage: 5:240/267 of query aligns to 1:236/251 of 4b5sA

query
sites
4b5sA

L

M

S

E

N

N

P

S

F

F

K

K

E

A

R

A

L

L

R

K

K

A

G

G

E

R

V

P

Q

Q

I

I

G

G

L

L

W

W

L

L

S

G

S

L

T

S

A

S

Y

Y

M

S

A

A

E

E

I

L

A

L

A

A

T

G

S

A

G

G

Y

F

D

D

W

W

L

L

I

I

D

D

G

G

E

E

H
|
H

A

A

P

P

N

N

T

N

I

V

Q

Q

D

T

L

V

Y

L

H

T

Q

Q

L

L

Q

Q

A

A

V

I

A

A

P

P

Y

Y

A

P

S

S

Q

Q

P

P

V

V

I

V

R
|
R

P

P

V

S

E

W

G

N

S

D

K

P

P

V

L

Q

I

I

K

K

Q

Q

V

L

L

L

D
|
D

I

V

G

G

A

T

Q

Q

T

T

L

L

I

V

P

P

M

M

V

V

D

Q

T

N

A

A

E

D

Q

E

A

A

R

R

Q

E

V

A

V

V

S

R

A

A

T

T

R

R

Y

Y

P

P

Y

A

G

G

E

I

R

R

G

G

V

V

G

G

A

S

S

A

V

L

A

A

R

R

A

A

A

S

R

R

W

W

G

N

R

R

I

I

E

P

N

D

Y

Y

M

L

A

Q

Q

K

V

A

N

N

D

D

S

Q

L

M

C

C

L

V

L

L

V

V

Q

Q

V

I

E
|
E

S

T

K

R

T

E

A

A

L

M

D

K

N

N

L

L

D

P

E

Q

I

I

L

L

D

D

V

V

E

E

G

G

I

V

D

D

G

G

V

V

F
|
F

I

I

G
|
G

P
|
P

A
|
A

D
|
D

L

L

S

S

A

A

S

D

L

M

G

G

Y

Y

P

A

D

G

N

N

A

P

G

Q

H

H

P

P

E

E

V

V

Q

Q

R

A

I

A

I

I

E

E

T

Q

S

A

I

I

R

V

R

Q

I

I

R

R

A

E

A

S

G

G

K

K

A

A

A

P

G

G

F

I

L

L

A

I

V

A

A

N

P

E

D

Q

M

L

A

A

Q

K

Q

R

C

Y

L

L

A

E

W

L

G

G

A

A

N

L

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

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: E149 (= E153), F170 (= F174), G172 (= G176), P173 (= P177), A174 (= A178), D175 (= D179)

2v5kA Class ii aldolase hpch - magnesium - oxamate complex (see paper)
58% identity, 88% coverage: 5:240/267 of query aligns to 10:245/260 of 2v5kA

query
sites
2v5kA

L

M

S

E

N

N

P

S

F

F

K

K

E

A

R

A

L

L

R

K

K

A

G

G

E

R

V

P

Q

Q

I

I

G

G

L

L

W

W

L

L

S

G

S

L

T

S

A

S

Y

Y

M

S

A

A

E

E

I

L

A

L

A

A

T

G

S

A

G

G

Y

F

D

D

W

W

L

L

I

I

D

D

G

G

E

E

H
|
H

A

A

P

P

N

N

T

N

I

V

Q

Q

D

T

L

V

Y

L

H

T

Q

Q

L

L

Q

Q

A

A

V

I

A

A

P

P

Y

Y

A

P

S

S

Q

Q

P

P

V

V

I

V

R
|
R

P

P

V

S

E

W

G

N

S

D

K

P

P

V

L

Q

I

I

K

K

Q

Q

V

L

L

L

D
|
D

I

V

G

G

A

T

Q

Q

T

T

L

L

I

V

P

P

M

M

V

V

D

Q

T

N

A

A

E

D

Q

E

A

A

R

R

Q

E

V

A

V

V

S

R

A

A

T

T

R

R

Y

Y

P

P

Y

A

G

G

E

I

R

R

G

G

V

V

G

G

A

S

S

A

V

L

A

A

R

R

A

A

A

S

R

R

W

W

G

N

R

R

I

I

E

P

N

D

Y

Y

M

L

A

Q

Q

K

V

A

N

N

D

D

S

Q

L

M

C

C

L

V

L

L

V

V

Q

Q

V

I

E
|
E

S

T

K

R

T

E

A

A

L

M

D

K

N

N

L

L

D

P

E

Q

I

I

L

L

D

D

V

V

E

E

G

G

I

V

D

D

G

G

V

V

F

F

I

I

G

G

P

P

A

A

D
|
D

L

L

S

S

A

A

S

D

L

M

G

G

Y

Y

P

A

D

G

N

N

A

P

G

Q

H

H

P

P

E

E

V

V

Q

Q

R

A

I

A

I

I

E

E

T

Q

S

A

I

I

R

V

R

Q

I

I

R

R

A

E

A

S

G

G

K

K

A

A

A

P

G

G

F

I

L

L

A

I

V

A

A

N

P

E

D

Q

M

L

A

A

Q

K

Q

R

C

Y

L

L

A

E

W

L

G

G

A

A

N

L

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

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

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)
58% identity, 88% coverage: 5:240/267 of query aligns to 1:236/262 of Q47098

query
sites
Q47098

L

M

S

E

N

N

P

S

F

F

K

K

E

A

R

A

L

L

R

K

K

A

G

G

E

R

V

P

Q

Q

I

I

G

G

L

L

W

W

L

L

S

G

S

L

T

S

A

S

Y

Y

M

S

A

A

E

E

I

L

A

L

A

A

T

G

S

A

G

G

Y

F

D

D

W

W

L

L

I

I

D

D

G

G

E

E

H
|
H

A

A

P

P

N

N

T

N

I

V

Q

Q

D

T

L

V

Y

L

H

T

Q

Q

L

L

Q

Q

A

A

V

I

A

A

P

P

Y

Y

A

P

S

S

Q

Q

P

P

V

V

I

V

R
|
R

P

P

V

S

E

W

G

N

S

D

K

P

P

V

L

Q

I

I

K

K

Q

Q

V

L

L

L

D

D

I

V

G

G

A

T

Q

Q

T

T

L

L

I

V

P

P

M

M

V

V

D

Q

T

N

A

A

E

D

Q

E

A

A

R

R

Q

E

V

A

V

V

S

R

A

A

T

T

R

R

Y

Y

P

P

Y

A

G

G

E

I

R

R

G

G

V

V

G

G

A

S

S

A

V

L

A

A

R

R

A

A

A

S

R

R

W

W

G

N

R

R

I

I

E

P

N

D

Y

Y

M

L

A

Q

Q

K

V

A

N

N

D

D

S

Q

L

M

C

C

L

V

L

L

V

V

Q

Q

V

I

E
|
E

S

T

K

R

T

E

A

A

L

M

D

K

N

N

L

L

D

P

E

Q

I

I

L

L

D

D

V

V

E

E

G

G

I

V

D

D

G

G

V

V

F

F

I

I

G

G

P

P

A

A

D
|
D

L

L

S

S

A

A

S

D

L

M

G

G

Y

Y

P

A

D

G

N

N

A

P

G

Q

H

H

P

P

E

E

V

V

Q

Q

R

A

I

A

I

I

E

E

T

Q

S

A

I

I

R

V

R

Q

I

I

R

R

A

E

A

S

G

G

K

K

A

A

A

P

G

G

F

I

L

L

A

I

V

A

A

N

P

E

D

Q

M

L

A

A

Q

K

Q

R

C

Y

L

L

A

E

W

L

G

G

A

A

N

L

F

F

V

V

A

A

V

V

G

G

V

V

D

D

T

T

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

P23522 5-keto-4-deoxy-D-glucarate aldolase; KDGluc aldolase; KDGlucA; 2-dehydro-3-deoxy-D-glucarate aldolase; 2-keto-3-deoxy-D-glucarate aldolase; 5-dehydro-4-deoxy-D-glucarate aldolase; Alpha-keto-beta-deoxy-D-glucarate aldolase; EC 4.1.2.20 from Escherichia coli (strain K12) (see paper)
44% identity, 95% coverage: 2:255/267 of query aligns to 3:255/256 of P23522

query
sites
P23522

N

N

A

D

L

V

L

F

S

P

N

N

P

K

F

F

K

K

E

A

R

A

L

L

R

A

K

A

G

K

E

Q

V

V

Q

Q

I

I

G

G

L

C

W

W

L

S

S

A

S

L

T

S

T

N

A

P

Y

I

M

S

A

T

E

E

I

V

A

L

A

G

T

L

S

A

G

G

Y

F

D

D

W

W

L

L

L

V

I

L

D

D

G

G

E

E

H

H

A

A

P

P

N

N

T

D

I

I

Q

S

D

T

L

F

Y

I

H

P

Q

Q

L

L

Q

M

A

A

V

L

A

K

P

G

Y

S

A

A

S

S

Q

A

P

P

V

V

I

V

R

R

P

V

V

P

E

T

G

N

S

E

K

P

P

V

L

I

I

I

K

K

Q

R

V

L

L

L

D

D

I

I

G

G

A

F

Q

Y

T

N

L

F

L

L

I

I

P

P

M

F

V

V

D

E

T

T

A

K

E

E

Q

E

A

A

R

E

Q

L

V

A

V

V

S

A

A

S

T

T

R

R

Y

Y

P

P

Y

E

G

G

E

I

R

R

G

G

V

V

G

S

A

V

S

S

V

-

A

H

R

R

A

A

A

N

R

M

W

F

G

G

R

T

I

V

E

A

N

D

Y

Y

M

F

A

A

Q

Q

V

S

N

N

D

K

S

N

L

I

C

T

L

I

L

L

V

V

Q
|
Q

V

I

E
|
E

S

S

K

Q

T

Q

A

G

L

V

D

D

N

N

L

V

D

D

E

A

I

I

L

A

D

A

V

T

E

E

G

G

I

V

D

D

G

G

V

I

F

F

I

V

G

G

P

P

A
x
S

D
|
D

L

L

S

A

A

A

S

A

L

L

G

G

Y

H

P

L

D

G

N

N

A

A

G

S

H

H

P

P

E

D

V

V

Q

Q

R

K

I

A

I

I

E

Q

T

H

S

I

I

F

R

N

R

R

I

A

R

S

A

A

A

H

G

G

K

K

A

P

A

S

G

G

F

I

L

L

A

A

V

P

A

V

P

E

D

A

M

D

A

A

Q

R

C

Y

L

L

A

E

W

W

G

G

A

A

N

T

F

F

V

V

A

A

V

V

G

G

V

S

D

D

T

L

M

G

L

V

Y

F

S

R

D

S

A

A

L

T

D

Q

Q

K

R

L

L

A

A

D

M

T

F

F

K

K

Q151 (= Q151) binding
E153 (= E153) binding
S178 (≠ A178) binding
D179 (= D179) binding ; binding

1dxfA 2-dehydro-3-deoxy-galactarate aldolase from escherichia coli in complex with pyruvate (see paper)
44% identity, 94% coverage: 4:255/267 of query aligns to 2:252/253 of 1dxfA

query
sites
1dxfA

L

V

L

F

S

P

N

N

P

K

F

F

K

K

E

A

R

A

L

L

R

A

K

A

G

K

E

Q

V

V

Q

Q

I

I

G

G

L

C

W

W

L

S

S

A

S

L

T

S

T

N

A

P

Y

I

M

S

A

T

E

E

I

V

A

L

A

G

T

L

S

A

G

G

Y

F

D

D

W

W

L

L

L

V

I

L

D

D

G

G

E

E

H
|
H

A

A

P

P

N

N

T

D

I

I

Q

S

D

T

L

F

Y

I

H

P

Q

Q

L

L

Q

M

A

A

V

L

A

K

P

G

Y

S

A

A

S

S

Q

A

P

P

V

V

I

V

R
|
R

P

V

V

P

E

T

G

N

S

E

K

P

P

V

L

I

I

I

K

K

Q

R

V

L

L

L

D
|
D

I

I

G

G

A

F

Q

Y

T

N

L

F

L

L

I

I

P

P

M

F

V

V

D

E

T

T

A

K

E

E

Q

E

A

A

R

E

Q

L

V

A

V

V

S

A

A

S

T

T

R

R

Y

Y

P

P

Y

E

G

G

E

I

R

R

G

G

V

V

G

S

A

V

S

S

V

-

A

H

R

R

A

A

A

N

R

M

W

F

G

G

R

T

I

V

E

A

N

D

Y

Y

M

F

A

A

Q

Q

V

S

N

N

D

K

S

N

L

I

C

T

L

I

L

L

V

V

Q

Q

V

I

E
|
E

S

S

K

Q

T

Q

A

G

L

V

D

D

N

N

L

V

D

D

E

A

I

I

L

A

D

A

V

T

E

E

G

G

I

V

D

D

G

G

V

I

F

F

I

V

G
|
G

P
|
P

A
x
S

D
|
D

L

L

S

A

A

A

S

A

L

L

G

G

Y

H

P

L

D

G

N

N

A

A

G

S

H

H

P

P

E

D

V

V

Q

Q

R

K

I

A

I

I

E

Q

T

H

S

I

I

F

R

N

R

R

I

A

R

S

A

A

A

H

G

G

K

K

A

P

A

S

G

G

F

I

L

L

A

A

V

P

A

V

P

E

D

A

M

D

A

A

Q

R

C

Y

L

L

A

E

W

W

G

G

A

A

N

T

F

F

V

V

A

A

V

V

G

G

V

S

D

D

T

L

M

G

L

V

Y

F

S

R

D

S

A

A

L

T

D

Q

Q

K

R

L

L

A

A

D

M

T

F

F

K

K

active site: H47 (= H49), R72 (= R74), D86 (= D88), E150 (= E153), D176 (= D179)
binding magnesium ion: E150 (= E153), D176 (= D179)
binding pyruvic acid: E150 (= E153), G173 (= G176), P174 (= P177), S175 (≠ A178), D176 (= D179)

1dxeA 2-dehydro-3-deoxy-galactarate aldolase from escherichia coli (see paper)
44% identity, 94% coverage: 4:255/267 of query aligns to 2:252/253 of 1dxeA

query
sites
1dxeA

L

V

L

F

S

P

N

N

P

K

F

F

K

K

E

A

R

A

L

L

R

A

K

A

G

K

E

Q

V

V

Q

Q

I

I

G

G

L

C

W
|
W

L

S

S

A

S

L

T

S

T

N

A

P

Y

I

M

S

A

T

E

E

I

V

A

L

A

G

T

L

S

A

G

G

Y

F

D

D

W

W

L

L

L

V

I

L

D

D

G

G

E

E

H
|
H

A

A

P

P

N

N

T

D

I

I

Q

S

D

T

L

F

Y

I

H

P

Q

Q

L

L

Q

M

A

A

V

L

A

K

P

G

Y

S

A

A

S

S

Q

A

P

P

V

V

I

V

R
|
R

P

V

V

P

E

T

G

N

S

E

K

P

P

V

L

I

I

I

K

K

Q

R

V

L

L

L

D
|
D

I

I

G

G

A

F

Q

Y

T

N

L

F

L

L

I

I

P

P

M

F

V

V

D

E

T

T

A

K

E

E

Q

E

A

A

R

E

Q

L

V

A

V

V

S

A

A

S

T

T

R

R

Y

Y

P

P

Y

E

G

G

E

I

R

R

G

G

V

V

G

S

A

V

S

S

V

-

A

H

R

R

A

A

A

N

R

M

W

F

G

G

R

T

I

V

E

A

N

D

Y

Y

M

F

A

A

Q

Q

V

S

N

N

D

K

S

N

L

I

C

T

L

I

L

L

V

V

Q

Q

V

I

E
|
E

S

S

K

Q

T

Q

A

G

L

V

D

D

N

N

L

V

D

D

E

A

I

I

L

A

D

A

V

T

E

E

G

G

I

V

D

D

G

G

V

I

F

F

I

V

G
|
G

P

P

A

S

D
|
D

L

L

S

A

A

A

S

A

L

L

G

G

Y

H

P

L

D

G

N

N

A

A

G

S

H

H

P

P

E

D

V

V

Q

Q

R

K

I

A

I

I

E

Q

T

H

S

I

I

F

R

N

R

R

I

A

R

S

A

A

A

H

G

G

K

K

A

P

A

S

G

G

F

I

L

L

A

A

V

P

A

V

P

E

D

A

M

D

A

A

Q

R

C

Y

L

L

A

E

W

W

G

G

A

A

N

T

F

F

V

V

A

A

V

V

G

G

V

S

D

D

T

L

M

G

L

V

Y

F

S

R

D

S

A

A

L

T

D

Q

Q

K

R

L

L

A

A

D

M

T

F

F

K

K

active site: H47 (= H49), R72 (= R74), D86 (= D88), E150 (= E153), D176 (= D179)
binding magnesium ion: E150 (= E153), D176 (= D179)
binding phosphate ion: W21 (= W23), R72 (= R74), G173 (= G176)

8adqA Crystal structure of holo-swhpa-mg (hydroxy ketone aldolase) from sphingomonas wittichii rw1 in complex with hydroxypyruvate and d- glyceraldehyde (see paper)
33% identity, 92% coverage: 7:252/267 of query aligns to 3:247/252 of 8adqA

query
sites
8adqA

N

N

P

K

F

V

K

R

E

T

R

C

L

W

R

N

K

E

G

G

E

R

V

P

Q

A

I

L

G

A

L

G

W
|
W

L

L

S
x
Q

S

L

T

P

T

G

A

T

Y

L

M

H

A

A

E

E

I

A

A

L

A

A

T

R

S

L

G

D

Y

Y

D

D

W

A

L

V

I

I

D

D

G

M

E

Q

H
|
H

A

S

P

P

N

I

T

D

I

F

Q

G

D

Q

L

V

Y

A

H

P

Q

M

L

L

Q

I

A

A

V

I

A

E

P

L

Y

G

A

G

S

A

Q

E

P

P

V

F

I

V

R
|
R

P

T

V

Q

E

V

G

N

S

D

K

P

P

S

L

D

I

I

K

M

Q

K

V

L

L

L

D

D

I

A

G

G

A

A

Q

Y

T

G

L

I

I

A

P

P

M

M

V

V

D

N

T

T

A

R

E

A

Q

E

A

A

R

Q

Q

T

V

L

V

A

S

S

A

A

T

L

R

H

Y

Y

P

S

P

P

Y

R

G

G

E

L

R

R

G

S

V
x
F

G

G

A

P

S

R

V

R

A

P

R

-

A

S

A

L

R

R

W

Y

G

G

R

-

I

-

E

S

N

G

Y
|
Y

M
x
L

A

A

Q

Q

V

A

N

S

D

E

S

T

L

V

C

V

L

G

L

L

V

A

Q
x
M

V

I

E
|
E

S

T

K

R

T

E

A

A

L

L

D

A

N

N

L

I

D

D

E

E

I

I

L

L

D

S

V

V

E

D

G

G

I

I

D

D

G

G

V

V

F

F

I

I

G
|
G

P
|
P

A
x
T

D
|
D

L

L

S

A

A

L

S

D

L

L

G

G

Y

H

P

A

D

P

-

L

-

V

N

D

A

T

G

E

H

E

P

A

E

E

V

V

Q

V

R

S

I

A

I

I

E

A

T

H

S

V

I

R

R

E

R

R

I

A

R

H

A

A

G

G

K

K

A

R

A

V

G

G

F

I

L
x
F

A

C

V

G

A

S

P

G

D

G

M

F

A

A

Q

R

Q

V

C

K

L

L

A

A

W

E

G

G

A

F

N

D

F

F

V

V

A

T

V

A

G

A

V

P

D

D

T

L

M

A

L

M

Y

L

S

S

D

A

A

A

L

A

D

R

Q

Q

R

V

L

I

A

A

binding D-Glyceraldehyde: Q21 (≠ S25), H45 (= H49), F118 (≠ V122), Y131 (= Y138), L132 (≠ M139)
binding 3-hydroxypyruvic acid: W19 (= W23), R70 (= R74), M144 (≠ Q151), E146 (= E153), G169 (= G176), P170 (= P177), T171 (≠ A178), D172 (= D179), F211 (≠ L216)
binding magnesium ion: E146 (= E153), D172 (= D179)

Query Sequence

>16352 b2245 predicted 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase (NCBI)
MNALLSNPFKERLRKGEVQIGLWLSSTTAYMAEIAATSGYDWLLIDGEHAPNTIQDLYHQ
LQAVAPYASQPVIRPVEGSKPLIKQVLDIGAQTLLIPMVDTAEQARQVVSATRYPPYGER
GVGASVARAARWGRIENYMAQVNDSLCLLVQVESKTALDNLDEILDVEGIDGVFIGPADL
SASLGYPDNAGHPEVQRIIETSIRRIRAAGKAAGFLAVAPDMAQQCLAWGANFVAVGVDT
MLYSDALDQRLAMFKSGKNGPRIKGSY

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