SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing RR42_RS03215 FitnessBrowser__Cup4G11:RR42_RS03215 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)

A8B2U2 Fructose-bisphosphate aldolase; Glfba; glFBPA; Fructose-1,6-bisphosphate aldolase; EC 4.1.2.13 from Giardia intestinalis (strain ATCC 50803 / WB clone C6) (Giardia lamblia) (see 4 papers)
47% identity, 97% coverage: 1:345/354 of query aligns to 1:323/323 of A8B2U2

query
sites
A8B2U2

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S50 (= S50) binding
D83 (= D83) active site, Proton donor; mutation to A: Severe loss of catalytic activity.
H84 (= H84) binding
H178 (= H198) binding ; binding
G179 (= G199) binding
K182 (= K202) binding
H210 (= H232) binding
G211 (= G233) binding
S213 (= S235) binding
N253 (= N275) binding
D255 (= D277) binding ; mutation to A: 9.4-fold reduction in substrate affinity and 50-fold reduction in catalytic affinity. Has some activity towards tagatose-1,6-bisphosphate.
S256 (≠ T278) binding
R259 (= R281) binding ; mutation to A: 1.8-fold reduction in substrate affinity and 2.8-fold reduction in catalytic efficiency. 6-fold reduction in substrate affinity and 24-fold reduction in catalytic efficiency; when associated with A-278.
D278 (= D300) mutation to A: 159-fold reduction in substrate affinity and 2770-fold reduction in catalytic efficiency. 6-fold reduction in substrate affinity and 24-fold reduction in catalytic efficiency; when associated with A-259.
R280 (= R302) binding

3gayA Structure of giardia fructose-1,6-biphosphate aldolase in complex with tagatose-1,6-biphosphate (see paper)
46% identity, 97% coverage: 2:345/354 of query aligns to 1:319/319 of 3gayA

query
sites
3gayA

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binding 1,6-di-O-phosphono-D-tagatose: N23 (= N24), Q47 (= Q48), S49 (= S50), D82 (= D83), H83 (= H84), H174 (= H198), G175 (= G199), K178 (= K202), H206 (= H232), G207 (= G233), S208 (= S234), S209 (= S235), N249 (= N275), V250 (≠ I276), D251 (= D277), S252 (≠ T278), R255 (= R281)
binding zinc ion: H83 (= H84), H174 (= H198), H206 (= H232)

3ohiA Structure of giardia fructose-1,6-biphosphate aldolase in complex with 3-hydroxy-2-pyridone (see paper)
46% identity, 97% coverage: 2:345/354 of query aligns to 1:319/319 of 3ohiA

query
sites
3ohiA

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binding ({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2H)-yl}methyl)phosphonic acid: N23 (= N24), S49 (= S50), D82 (= D83), H83 (= H84), H174 (= H198), G175 (= G199), K178 (= K202), H206 (= H232), G207 (= G233), S208 (= S234), S209 (= S235), N249 (= N275), V250 (≠ I276), D251 (= D277), S252 (≠ T278), R255 (= R281)
binding zinc ion: H83 (= H84), H174 (= H198), H206 (= H232)

3gb6A Structure of giardia fructose-1,6-biphosphate aldolase d83a mutant in complex with fructose-1,6-bisphosphate (see paper)
46% identity, 97% coverage: 2:345/354 of query aligns to 1:318/318 of 3gb6A

query
sites
3gb6A

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L

I

E

E

T

-

G

-

E

-

A

-

G

-

E

-

D

-

G

-

I

-

G

-

A

-

E

-

G

-

K

-

L

-

D

-

H

N

S

T

M

V

L

Q

L

L

T

T

D

E

P

P

E

Q

Q

D

A

A

A

K

D

K

F

F

V

V

K

E

A

L

T

T

Q

G

L

V

D

D

A

A

L

L

A

A

I

V

A

A

I

I

G

G

T

T

S

S

H
|
H

G
|
G

A

A

Y

Y

K
|
K

F

F

T

-

R

-

K

K

P

S

T

E

G

S

D

D

I

I

-

R

L

L

A

A

I

I

N

D

R

R

I

V

K

K

E

T

I

I

H

-

A

S

R

D

I

L

P

T

N

G

T

I

H

P

L

L

V

V

M

M

H
|
H

G
|
G

S
|
S

S

S

V

V

P

P

Q

K

E

D

L

V

L

K

A

D

E

M

I

I

R

N

Q

K

F

Y

G

G

D

K

M

M

K

P

E

D

T

A

Y

V

G

G

V

V

P

P

V

I

E

E

E

S

I

I

Q

V

D

H

A

A

I

I

K

G

Y

E

G

G

V

V

R

C

K

K

I

I

N
|
N

I
x
V

D
|
D

T
x
S

D

D

I

S

R
|
R

L

M

A

A

M

M

T

T

G

G

A

A

I

I

R

R

R

K

F

V

F

F

A

V

E

E

N

H

P

P

S

E

K

K

F

F

D

D

P

P

R

R

E

D

Y

Y

L

L

K

G

P

P

A

G

R

R

E

D

A

A

A

I

K

T

L

E

V

M

C

L

K

I

A

P

R

K

Y

I

V

K

A

A

F

F

G

G

C

S

E

A

G

G

Q

H

A

A

A

G

K

D

I

Y

K

K

P

V

V

V

S

S

L

L

D

E

A

E

I

A

A

K

Q

A

K

W

Y

Y

K

K

binding 1,6-di-O-phosphono-D-fructose: N23 (= N24), Q47 (= Q48), S49 (= S50), H173 (= H198), G174 (= G199), K177 (= K202), H205 (= H232), G206 (= G233), S207 (= S234), S208 (= S235), N248 (= N275), V249 (≠ I276), D250 (= D277), S251 (≠ T278), R254 (= R281)

2isvB Structure of giardia fructose-1,6-biphosphate aldolase in complex with phosphoglycolohydroxamate (see paper)
45% identity, 97% coverage: 2:344/354 of query aligns to 1:307/307 of 2isvB

query
sites
2isvB

P

P

L

L

V

C

S

T

M

L

R

R

Q

Q

L

M

L

L

D

G

H

E

A

A

A

R

E

K

N

H

G

K

Y

Y

A

G

L

V

P

G

A

A

F

F

N
|
N

V

V

N

N

L

M

E

E

Q

Q

V

I

Q

Q

A

G

I

I

M

M

Q

K

A

A

A

V

D

V

E

Q

V

L

N

K

A

S

P

P

V

V

I

I

M

L

Q
|
Q

A

C

S

S

A

R

G

G

A

A

R

L

K

K

Y

Y

A

S

G

D

E

M

H

I

F

Y

L

L

R

K

H

K

L

L

I

C

E

E

A

A

V

L

E

E

A

K

Y

H

P

P

H

D

I

I

P

P

V

I

V

C

M

I

H

H

Q

L

D
|
D

H
|
H

G

G

Q

D

S

T

P

L

A

E

I

S

C

V

Q

K

A

M

A

A

I

I

D

D

L

L

G

G

F

F

S

S

V

V

M

M

M

I

D

D

G

A

S

S

L

H

R

H

E

P

D

-

G

-

K

-

T

-

P

-

S

-

D

-

Y

F

E

D

Y

E

N

N

I

V

E

R

V

I

T

T

R

K

K

E

V

V

Q

A

L

Y

S

A

H

H

A

A

I

R

G

S

V

V

T

S

V

V

E

E

G

A

E

E

L

L

G

G

C

-

L

-

G

-

S

-

L

-

E

-

T

-

G

-

E

-

A

-

G

-

E

-

D

-

G

-

I

-

G

-

A

-

E

-

G

-

K

-

L

-

D

Q

H

N

S

T

M

V

L

Q

L

L

T

T

D

E

P

P

E

Q

Q

D

A

A

A

K

D

K

F

F

V

V

K

E

A

L

T

T

Q

G

L

V

D

D

A

A

L

L

A

A

I

V

A

A

I

I

G

G

T

T

S

S

H
|
H

G
|
G

A

A

Y

Y

K
|
K

F

F

T

I

R

R

K

-

P

-

T

-

G

-

D

-

I

-

L

L

A

A

I

I

N

D

R

R

I

V

K

K

E

T

I

I

H

-

A

S

R

D

I

L

P

T

N

G

T

I

H

P

L

L

V

V

M

M

H
|
H

G
|
G

S
|
S

S

S

V

V

P

P

Q

K

E

D

L

V

L

K

A

D

E

M

I

I

R

N

Q

K

F

Y

G

G

D

K

M

M

K

P

E

D

T

A

Y

V

G

G

V

V

P

P

V

I

E

E

E

S

I

I

Q

V

D

H

A

A

I

I

K

G

Y

E

G

G

V

V

R

C

K

K

I

I

N
|
N

I
x
V

D
|
D

T
x
S

D

D

I

S

R

R

L

M

A

A

M

M

T

T

G

G

A

A

I

I

R

R

R

K

F

V

F

F

A

V

E

E

N

H

P

P

S

E

K

K

F

F

D

D

P

P

R

R

E

D

Y

Y

L

L

K

G

P

P

A

G

R

R

E

D

A

A

A

I

K

T

L

E

V

M

C

L

K

I

A

P

R

K

Y

I

V

K

A

A

F

F

G

G

C

S

E

A

G

G

Q

H

A

A

A

G

K

D

I

Y

K

K

P

V

V

V

S

S

L

L

D

E

A

E

I

A

A

K

Q

A

K

W

Y

Y

binding phosphoglycolohydroxamic acid: N23 (= N24), Q47 (= Q48), D82 (= D83), H83 (= H84), H168 (= H198), G169 (= G199), K172 (= K202), H195 (= H232), G196 (= G233), S197 (= S234), S198 (= S235), N238 (= N275), V239 (≠ I276), D240 (= D277), S241 (≠ T278)
binding zinc ion: H83 (= H84), H168 (= H198), H195 (= H232)

2isvA Structure of giardia fructose-1,6-biphosphate aldolase in complex with phosphoglycolohydroxamate (see paper)
43% identity, 97% coverage: 2:344/354 of query aligns to 1:298/298 of 2isvA

query
sites
2isvA

P

P

L

L

V

C

S

T

M

L

R

R

Q

Q

L

M

L

L

D

G

H

E

A

A

A

R

E

K

N

H

G

K

Y

Y

A

G

L

V

P

G

A

A

F

F

N
|
N

V

V

N

N

L

M

E

E

Q

Q

V

I

Q

Q

A

G

I

I

M

M

Q

K

A

A

A

V

D

V

E

Q

V

L

N

K

A

S

P

P

V

V

I

I

M

L

Q
|
Q

A

C

S

S

A

R

G

G

A

A

R

L

K

K

Y

Y

A

S

G

D

E

M

H

I

F

Y

L

L

R

K

H

K

L

L

I

C

E

E

A

A

V

L

E

E

A

K

Y

H

P

P

H

D

I

I

P

P

V

I

V

C

M

I

H

H

Q

L

D
|
D

H
|
H

G

G

Q

D

S

T

P

L

A

E

I

S

C

V

Q

K

A

M

A

A

I

I

D

D

L

L

G

G

F

F

S

S

V

V

M

M

M

I

D

D

G

A

S

S

L

H

R

H

E

P

D

-

G

-

K

-

T

-

P

-

S

-

D

-

Y

F

E

D

Y

E

N

N

I

V

E

R

V

I

T

T

R

K

K

E

V

V

Q

A

L

Y

S

A

H

H

A

A

I

R

G

S

V

V

T

S

V

V

E

E

G

A

E

E

L

L

G

G

C

-

L

-

G

-

S

-

L

-

E

-

T

-

G

-

E

-

A

-

G

-

E

-

D

-

G

-

I

-

G

-

A

-

E

-

G

-

K

-

L

-

D

-

H

-

S

-

M

-

L

-

L

L

T

T

D

E

P

P

E

Q

Q

D

A

A

A

K

D

K

F

F

V

V

K

E

A

L

T

T

Q

G

L

V

D

D

A

A

L

L

A

A

I

V

A

A

I

I

G

G

T

T

S

S

H
|
H

G
|
G

A

A

Y

R

K

-

F

-

T

-

R

-

K

-

P

-

T

-

G

-

D

-

I

-

L

L

A

A

I

I

N

D

R

R

I

V

K

K

E

T

I

I

H

-

A

S

R

D

I

L

P

T

N

G

T

I

H

P

L

L

V

V

M

M

H
|
H

G
|
G

S
|
S

S

S

V

V

P

P

Q

K

E

D

L

V

L

K

A

D

E

M

I

I

R

N

Q

K

F

Y

G

G

D

K

M

M

K

P

E

D

T

A

Y

V

G

G

V

V

P

P

V

I

E

E

E

S

I

I

Q

V

D

H

A

A

I

I

K

G

Y

E

G

G

V

V

R

C

K

K

I

I

N
|
N

I
x
V

D
|
D

T
x
S

D

D

I

S

R

R

L

M

A

A

M

M

T

T

G

G

A

A

I

I

R

R

R

K

F

V

F

F

A

V

E

E

N

H

P

P

S

E

K

K

F

F

D

D

P

P

R

R

E

D

Y

Y

L

L

K

G

P

P

A

G

R

R

E

D

A

A

A

I

K

T

L

E

V

M

C

L

K

I

A

P

R

K

Y

I

V

K

A

A

F

F

G

G

C

S

E

A

G

G

Q

H

A

A

A

G

K

D

I

Y

K

K

P

V

V

V

S

S

L

L

D

E

A

E

I

A

A

K

Q

A

K

W

Y

Y

binding phosphoglycolohydroxamic acid: N23 (= N24), Q47 (= Q48), D82 (= D83), H83 (= H84), H163 (= H198), G164 (= G199), H186 (= H232), G187 (= G233), S188 (= S234), S189 (= S235), N229 (= N275), V230 (≠ I276), D231 (= D277), S232 (≠ T278)
binding zinc ion: H83 (= H84), H163 (= H198), H186 (= H232)

1rv8B Class ii fructose-1,6-bisphosphate aldolase from thermus aquaticus in complex with cobalt (see paper)
45% identity, 92% coverage: 3:329/354 of query aligns to 2:305/305 of 1rv8B

query
sites
1rv8B

L

L

V

V

S

T

M

G

R

L

Q

E

L

I

L

L

D

K

H

K

A

A

A

R

E

E

N

E

G

G

Y

Y

A

G

L

V

P

G

A

A

F

F

N

N

V

V

N

N

L

M

E

E

Q

F

V

L

Q

Q

A

A

I

V

M

L

Q

E

A

A

D

E

E

E

V

Q

N

R

A

S

P

P

V

V

I

I

M

L

Q

A

A

L

S
|
S

A

E

G
|
G

A

A

R

M

K

K

Y

Y

A

G

G

G

E

R

H

A

F

L

L

T

R

L

H

M

L

A

I

V

E

E

A

L

A

A

V

K

E

E

A

A

Y

-

P

-

H

R

I

V

P

P

V

V

V

A

M

V

H

H

Q

L

D
|
D

H
|
H

G

G

Q

S

S

S

P

Y

A

E

I

S

C

V

Q

L

A

R

A

A

I

L

D

R

L

A

G

G

F

F

S

T

S

S

V

V

M

M

M

I

D

D

G

-

S

-

L

-

R

-

E

-

D

-

G

-

K

K

T

S

P

H

S

E

D

D

Y

F

E

E

Y

T

N

N

I

V

E

R

V

E

T

T

R
|
R

K

R

V

V

Q

E

L

A

S

A

H
|
H

A

A

I

V

G

G

V

V

T

T

V

V

E

E

G

A

E
|
E

L

L

G

G

C

R

L

L

G

A

S

G

L

I

E
|
E

T

E

G

H

E

V

A

A

G

V

E

D

E

E

D

K

G

-

I

-

G

-

A

-

E

-

G

-

K

-

L

-

D

-

H

-

S

D

M

A

L

L

T

T

D

N

P

P

E

E

Q

E

A

A

A

R

D

I

F

F

V

M

K

E

A

R

T

T

Q
x
G

L

A

D

D

A

Y

L

L

A

A

I

V

A

A

I

I

G

G

T

T

S

S

H
|
H

G

G

A

A

Y

Y

K

K

F

G

T

K

R

G

K

R

P

P

T

F

G

I

D

D

I

H

L

A

A

R

I

L

N

E

R

R

I

I

K

-

E

-

I

-

H

-

A

A

R

R

I

L

P

V

N

P

T

A

H

P

L

L

V

V

M

L

H
|
H

G
|
G

S

A

S
|
S

S

A

V

V

P

P

Q

P

E

E

L

L

L

V

A

E

E

R

I

F

R

R

Q

A

F

S

G

G

D

E

M

I

K

G

E

E

T

A

Y

A

G

G

V

I

P

H

V

P

E

E

E

D

I

I

Q

K

D

K

A

A

I

I

K

S

Y

L

G

G

V

I

R

A

K

K

I

I

N
|
N

I
x
T

D
|
D

T
|
T

D

D

I

L

R
|
R

L

L

A

A

M

F

T

T

G

A

A

L

I

I

R

R

R

E

F

A

F

L

A

N

E

K

N

N

P

P

S

K

K

E

F

F

D

D

P

P

R

R

E

K

Y

Y

L

L

K

G

P

P

A

A

R

R

E

E

A

A

A

V

K

K

L

E

V

V

C

V

K

K

A

S

R

R

Y

M

V

E

A

L

F

F

G

G

C

S

E

V

G

G

Q

R

A

A

active site: D80 (= D83), H81 (= H84), E140 (= E150), H178 (= H198), H208 (= H232), N251 (= N275)
binding cobalt (ii) ion: H81 (= H84), E132 (= E142), H178 (= H198), H208 (= H232)
binding sulfate ion: S49 (= S50), G51 (= G52), R116 (= R126), H123 (= H133), G166 (≠ Q186), G209 (= G233), S211 (= S235), N251 (= N275), T252 (≠ I276), D253 (= D277), T254 (= T278), R257 (= R281)

3n9sA Class ii fructose-1,6-bisphosphate aldolase from helicobacter pylori in complex with n-(4-hydroxybutyl)- glycolohydroxamic acid bis- phosphate, a competitive inhibitor (see paper)
40% identity, 91% coverage: 3:325/354 of query aligns to 2:303/307 of 3n9sA

query
sites
3n9sA

L

L

V

V

S

K

M

G

R

N

Q

E

L

I

L

L

D

L

H

K

A

A

A

H

E

K

N

E

G

G

Y

Y

A

G

L

V

P

G

A

A

F

F

N
|
N

V

F

N

V

N

N

L

F

E

E

Q

M

V

L

Q

N

A

A

I

I

M

F

Q

E

A

A

A

G

D

N

E

E

V

E

N

N

A

S

P

P

V

L

I

F

M

I

Q

Q

A

A

S
|
S

A

E

G

G

A

A

R

I

K

K

Y

Y

A

M

G

G

E

I

H

D

F

M

L

A

R

V

H

G

L

M

I

V

E

K

A

I

A

M

V
x
C

E
|
E

A

R

Y

Y

P

P

H

H

I

I

P

P

V

V

V

A

M

L

H

H

Q

L

D
|
D

H
|
H

G

G

Q

T

S

T

P

F

A

E

I

S

C

C

Q

E

A

K

A

A

I

V

D

K

L

A

G

G

F

F

S

T

S

S

V

V

M

M

M

I

D
|
D

G

A

S
|
S

L

H

R

H

E

A

D

-

G

-

K

-

T

-

P

-

S

-

D

-

Y

F

E

E

Y

E

N

N

I

L

E

E

V

L

T

T

R

S

K

K

V

V

Q

K

L

M

S

A

H

H

A

N

I

A

G

G

V

V

T

S

V

V

E

E

G

A

E
|
E

L

L

G
|
G

C

R

L

L

G

-

S

-

L

-

E

-

T

-

G

-

E

-

A

M

G

G

E

I

E

E

D

D

G

N

I

I

G

S

A

V

E

D

G

E

K

K

L

-

D

-

H

-

S

D

M

A

L

V

L

L

T

V

D

N

P

P

E

K

Q

E

A

A

A

E

D

Q

F

F

V

V

K

K

A

E

T

S

Q

Q

L

V

D

D

A

Y

L

L

A

A

I

P

A

A

I

I

G

G

T

T

S

S

H
|
H

G
|
G

A

A

Y

F

K
|
K

F

F

T

K

R

G

K

E

P

P

T

K

G

L

D

D

I

-

L

-

A

-

I

F

N

E

R

R

I

L

K

Q

E

E

I

V

H

K

A

-

R

R

I

L

P

T

N

N

T

I

H

P

L

L

V

V

M

L

H
|
H

G
|
G

S
x
A

S
|
S

S

A

V

I

P

P

Q

D

E

N

L

V

L

R

A

K

E

S

I

Y

R

L

Q

D

F
x
A

G

G

D

D

M

L

K

K

E

G

T

S

Y

K

G

G

V

V

P

P

V

F

E

E

E

F

I

L

Q

Q

D

E

A

S

I

V

K

K

Y

G

G

G

V

I

R

N

K

K

I

V

N
|
N

I
x
T

D
|
D

T
|
T

D

D

I

L

R

R

L

I

A

A

M

F

T

I

G

A

A

E

I

V

R

R

R

K

F

V

F

A

A

N

E

E

N

D

P

K

S

S

K

Q

F

F

D

D

P

L

R

R

E

K

Y

F

L

F

K

S

P

P

A

A

R

Q

E

L

A

A

A

L

K

K

L

N

V

V

C

V

K

K

A

E

R

R

Y

M

V

K

A

L

F

L

G

G

C

S

active site: C69 (≠ V70), E70 (= E71), G136 (= G144), H180 (= H198), A226 (≠ F248), N253 (= N275)
binding calcium ion: D104 (= D105), S106 (= S107), E134 (= E142)
binding 4-{hydroxy[(phosphonooxy)acetyl]amino}butyl dihydrogen phosphate: N23 (= N24), S49 (= S50), D82 (= D83), H83 (= H84), H180 (= H198), G181 (= G199), K184 (= K202), H210 (= H232), G211 (= G233), A212 (≠ S234), S213 (= S235), N253 (= N275), T254 (≠ I276), D255 (= D277), T256 (= T278)
binding zinc ion: H83 (= H84), H180 (= H198), H210 (= H232)

3c52A Class ii fructose-1,6-bisphosphate aldolase from helicobacter pylori in complex with phosphoglycolohydroxamic acid, a competitive inhibitor (see paper)
39% identity, 91% coverage: 3:325/354 of query aligns to 2:292/296 of 3c52A

query
sites
3c52A

L

L

V

V

S

K

M

G

R

N

Q

E

L

I

L

L

D

L

H

K

A

A

A

H

E

K

N

E

G

G

Y

Y

A

G

L

V

P

G

A

A

F

F

N

N

V

F

N

V

N

N

L

F

E

E

Q

M

V

L

Q

N

A

A

I

I

M

F

Q

E

A

A

A

G

D

N

E

E

V

E

N

N

A

S

P

P

V

L

I

F

M

I

Q
|
Q

A

A

S

S

A

E

G

G

A

A

R

I

K

K

Y

Y

A

M

G

G

E

I

H

D

F

M

L

A

R

V

H

G

L

M

I

V

E

K

A

I

A

M

V
x
C

E
|
E

A

R

Y

Y

P

P

H

H

I

I

P

P

V

V

V

A

M

L

H

H

Q

L

D
|
D

H
|
H

G

G

Q

T

S

T

P

F

A

E

I

S

C

C

Q

E

A

K

A

A

I

V

D

K

L

A

G

G

F

F

S

T

S

S

V

V

M

M

M

I

D
|
D

G

A

S
|
S

L

H

R

H

E

A

D

-

G

-

K

-

T

-

P

-

S

-

D

-

Y

F

E

E

Y

E

N

N

I

L

E

E

V

L

T

T

R

S

K

K

V

V

Q

K

L

M

S

A

H

H

A

N

I

A

G

G

V

V

T

S

V

V

E

E

G

A

E
|
E

L

L

G
|
G

C

R

L

L

G

-

S

-

L

-

E

-

T

-

G

-

E

-

A

-

G

-

E

-

D

-

G

-

I

-

G

-

A

-

E

-

G

-

K

-

L

-

D

-

H

M

S

G

M

I

L

V

L

L

T

V

D

N

P

P

E

K

Q

E

A

A

A

E

D

Q

F

F

V

V

K

K

A

E

T

S

Q

Q

L

V

D

D

A

Y

L

L

A

A

I

P

A

A

I

I

G

G

T

T

S

S

H
|
H

G
|
G

A

A

Y

F

K
|
K

F

F

T

K

R

G

K

E

P

P

T

K

G

L

D

D

I

-

L

-

A

-

I

F

N

E

R

R

I

L

K

Q

E

E

I

V

H

K

A

-

R

R

I

L

P

T

N

N

T

I

H

P

L

L

V

V

M

L

H
|
H

G
|
G

S
x
A

S
|
S

S

A

V

I

P

P

Q

D

E

N

L

V

L

R

A

K

E

S

I

Y

R

L

Q

D

F
x
A

G

G

D

D

M

L

K

K

E

G

T

S

Y

K

G

G

V

V

P

P

V

F

E

E

E

F

I

L

Q

Q

D

E

A

S

I

V

K

K

Y

G

G

G

V

I

R

N

K

K

I

V

N
|
N

I
x
T

D
|
D

T
|
T

D

D

I

L

R

R

L

I

A

A

M

F

T

I

G

A

A

E

I

V

R

R

R

K

F

V

F

A

A

N

E

E

N

D

P

K

S

S

K

Q

F

F

D

D

P

L

R

R

E

K

Y

F

L

F

K

S

P

P

A

A

R

Q

E

L

A

A

A

L

K

K

L

N

V

V

C

V

K

K

A

E

R

R

Y

M

V

K

A

L

F

L

G

G

C

S

active site: C69 (≠ V70), E70 (= E71), G136 (= G144), H169 (= H198), A215 (≠ F248), N242 (= N275)
binding calcium ion: D104 (= D105), S106 (= S107), E134 (= E142)
binding phosphoglycolohydroxamic acid: Q47 (= Q48), D82 (= D83), H83 (= H84), H169 (= H198), G170 (= G199), K173 (= K202), H199 (= H232), G200 (= G233), A201 (≠ S234), S202 (= S235), N242 (= N275), T243 (≠ I276), D244 (= D277), T245 (= T278)
binding zinc ion: H83 (= H84), H169 (= H198), H199 (= H232)

3n9rA Class ii fructose-1,6-bisphosphate aldolase from helicobacter pylori in complex with n-(4-hydroxybutyl)-phosphoglycolohydroxamic acid, a competitive inhibitor (see paper)
39% identity, 91% coverage: 3:325/354 of query aligns to 2:293/297 of 3n9rA

query
sites
3n9rA

L

L

V

V

S

K

M

G

R

N

Q

E

L

I

L

L

D

L

H

K

A

A

A

H

E

K

N

E

G

G

Y

Y

A

G

L

V

P

G

A

A

F

F

N

N

V

F

N

V

N

N

L

F

E

E

Q

M

V

L

Q

N

A

A

I

I

M

F

Q

E

A

A

A

G

D

N

E

E

V

E

N

N

A

S

P

P

V

L

I

F

M

I

Q

Q

A

A

S

S

A

E

G

G

A

A

R

I

K

K

Y

Y

A

M

G

G

E

I

H

D

F

M

L

A

R

V

H

G

L

M

I

V

E

K

A

I

A

M

V
x
C

E
|
E

A

R

Y

Y

P

P

H

H

I

I

P

P

V

V

V

A

M

L

H

H

Q

L

D
|
D

H
|
H

G

G

Q

T

S

T

P

F

A

E

I

S

C

C

Q

E

A

K

A

A

I

V

D

K

L

A

G

G

F

F

S

T

S

S

V

V

M

M

M

I

D

D

G

A

S

S

L

H

R

H

E

A

D

-

G

-

K

-

T

-

P

-

S

-

D

-

Y

F

E

E

Y

E

N

N

I

L

E

E

V

L

T

T

R

S

K

K

V

V

Q

K

L

M

S

A

H

H

A

N

I

A

G

G

V

V

T

S

V

V

E

E

G

A

E

E

L

L

G
|
G

C

R

L

L

G

M

S

G

L

I

E

-

T

-

G

-

E

-

A

-

G

-

E

-

D

-

G

-

I

-

G

-

A

-

E

-

G

-

K

-

L

-

D

-

H

-

S

-

M

A

L

V

L

L

T

V

D

N

P

P

E

K

Q

E

A

A

A

E

D

Q

F

F

V

V

K

K

A

E

T

S

Q

Q

L

V

D

D

A

Y

L

L

A

A

I

P

A

A

I

I

G

G

T

T

S

S

H
|
H

G
|
G

A

A

Y

F

K
|
K

F

F

T

K

R

G

K

E

P

P

T

K

G

L

D

D

I

-

L

-

A

-

I

F

N

E

R

R

I

L

K

Q

E

E

I

V

H

K

A

-

R

R

I

L

P

T

N

N

T

I

H

P

L

L

V

V

M

L

H
|
H

G
|
G

S
x
A

S
|
S

S

A

V

I

P

P

Q

D

E

N

L

V

L

R

A

K

E

S

I

Y

R

L

Q

D

F
x
A

G

G

D

D

M

L

K

K

E

G

T

S

Y

K

G

G

V

V

P

P

V

F

E

E

E

F

I

L

Q

Q

D

E

A

S

I

V

K

K

Y

G

G

G

V

I

R

N

K

K

I

V

N
|
N

I
x
T

D
|
D

T
|
T

D

D

I

L

R

R

L

I

A

A

M

F

T

I

G

A

A

E

I

V

R

R

R

K

F

V

F

A

A

N

E

E

N

D

P

K

S

S

K

Q

F

F

D

D

P

L

R

R

E

K

Y

F

L

F

K

S

P

P

A

A

R

Q

E

L

A

A

A

L

K

K

L

N

V

V

C

V

K

K

A

E

R

R

Y

M

V

K

A

L

F

L

G

G

C

S

active site: C69 (≠ V70), E70 (= E71), G136 (= G144), H170 (= H198), A216 (≠ F248), N243 (= N275)
binding 2-[hydroxy(4-hydroxybutyl)amino]-2-oxoethyl dihydrogen phosphate: D82 (= D83), H83 (= H84), H170 (= H198), G171 (= G199), K174 (= K202), H200 (= H232), G201 (= G233), A202 (≠ S234), S203 (= S235), N243 (= N275), T244 (≠ I276), D245 (= D277), T246 (= T278)
binding zinc ion: H83 (= H84), H170 (= H198), H200 (= H232)

3c56A Class ii fructose-1,6-bisphosphate aldolase from helicobacter pylori in complex with n-(3-hydroxypropyl)-glycolohydroxamic acid bisphosphate, a competitive inhibitor (see paper)
39% identity, 91% coverage: 3:325/354 of query aligns to 2:293/297 of 3c56A

query
sites
3c56A

L

L

V

V

S

K

M

G

R

N

Q

E

L

I

L

L

D

L

H

K

A

A

A

H

E

K

N

E

G

G

Y

Y

A

G

L

V

P

G

A

A

F

F

N
|
N

V

F

N

V

N

N

L

F

E

E

Q

M

V

L

Q

N

A

A

I

I

M

F

Q

E

A

A

A

G

D

N

E

E

V

E

N

N

A

S

P

P

V

L

I

F

M

I

Q

Q

A

A

S
|
S

A

E

G

G

A

A

R

I

K

K

Y

Y

A

M

G

G

E

I

H

D

F

M

L

A

R

V

H

G

L

M

I

V

E

K

A

I

A

M

V
x
C

E
|
E

A

R

Y

Y

P

P

H

H

I

I

P

P

V

V

V

A

M

L

H

H

Q

L

D
|
D

H
|
H

G

G

Q

T

S

T

P

F

A

E

I

S

C

C

Q

E

A

K

A

A

I

V

D

K

L

A

G

G

F

F

S

T

S

S

V

V

M

M

M

I

D

D

G

A

S

S

L

H

R

H

E

A

D

-

G

-

K

-

T

-

P

-

S

-

D

-

Y

F

E

E

Y

E

N

N

I

L

E

E

V

L

T

T

R

S

K

K

V

V

Q

K

L

M

S

A

H

H

A

N

I

A

G

G

V

V

T

S

V

V

E

E

G

A

E

E

L

L

G
|
G

C

R

L

L

G

M

S

G

L

I

E

-

T

-

G

-

E

-

A

-

G

-

E

-

D

-

G

-

I

-

G

-

A

-

E

-

G

-

K

-

L

-

D

-

H

-

S

-

M

A

L

V

L

L

T

V

D

N

P

P

E

K

Q

E

A

A

A

E

D

Q

F

F

V

V

K

K

A

E

T

S

Q

Q

L

V

D

D

A

Y

L

L

A

A

I

P

A

A

I

I

G

G

T

T

S

S

H
|
H

G
|
G

A

A

Y

F

K
|
K

F

F

T

K

R

G

K

E

P

P

T

K

G

L

D

D

I

-

L

-

A

-

I

F

N

E

R

R

I

L

K

Q

E

E

I

V

H

K

A

-

R

R

I

L

P

T

N

N

T

I

H

P

L

L

V

V

M

L

H
|
H

G
|
G

S
x
A

S
|
S

S

A

V

I

P

P

Q

D

E

N

L

V

L

R

A

K

E

S

I

Y

R

L

Q

D

F
x
A

G

G

D

D

M

L

K

K

E

G

T

S

Y

K

G

G

V

V

P

P

V

F

E

E

E

F

I

L

Q

Q

D

E

A

S

I

V

K

K

Y

G

G

G

V

I

R

N

K

K

I

V

N
|
N

I
x
T

D
|
D

T
|
T

D

D

I

L

R
|
R

L

I

A

A

M

F

T

I

G

A

A

E

I

V

R

R

R

K

F

V

F

A

A

N

E

E

N

D

P

K

S

S

K

Q

F

F

D

D

P

L

R

R

E

K

Y

F

L

F

K

S

P

P

A

A

R

Q

E

L

A

A

A

L

K

K

L

N

V

V

C

V

K

K

A

E

R

R

Y

M

V

K

A

L

F

L

G

G

C

S

active site: C69 (≠ V70), E70 (= E71), G136 (= G144), H170 (= H198), A216 (≠ F248), N243 (= N275)
binding 3-{hydroxy[(phosphonooxy)acetyl]amino}propyl dihydrogen phosphate: N23 (= N24), S49 (= S50), D82 (= D83), H83 (= H84), H170 (= H198), G171 (= G199), K174 (= K202), H200 (= H232), G201 (= G233), A202 (≠ S234), S203 (= S235), N243 (= N275), T244 (≠ I276), D245 (= D277), T246 (= T278), R249 (= R281)
binding zinc ion: H83 (= H84), H170 (= H198), H200 (= H232)

5ucpA Class ii fructose-1,6-bisphosphate aldolase e142a variant of helicobacter pylori with fbp and cleavage products (see paper)
38% identity, 91% coverage: 3:325/354 of query aligns to 2:288/292 of 5ucpA

query
sites
5ucpA

L

L

V

V

S

K

M

G

R

N

Q

E

L

I

L

L

D

L

H

K

A

A

A

H

E

K

N

E

G

G

Y

Y

A

G

L

V

P

G

A

A

F

F

N
|
N

V

F

N

V

N

N

L

F

E

E

Q

M

V

L

Q

N

A

A

I

I

M

F

Q

E

A

A

A

G

D

N

E

E

V

E

N

N

A

S

P

P

V

L

I

F

M

I

Q
|
Q

A

A

S
|
S

A

E

G

G

A

A

R

I

K

K

Y

Y

A

M

G

G

E

I

H

D

F

M

L

A

R

V

H

G

L

M

I

V

E

K

A

I

A

M

V

C

E

E

A

R

Y

Y

P

P

H

H

I

I

P

P

V

V

V

A

M

L

H

H

Q

L

D
|
D

H
|
H

G

G

Q

T

S

T

P

F

A

E

I

S

C

C

Q

E

A

K

A

A

I

V

D

K

L

A

G

G

F

F

S

T

S

S

V

V

M

M

M

I

D

D

G

A

S

S

L

H

R

H

E

A

D

-

G

-

K

-

T

-

P

-

S

-

D

-

Y

F

E

E

Y

E

N

N

I

L

E

E

V

L

T

T

R

S

K

K

V

V

Q

K

L

M

S

A

H

H

A

N

I

A

G

G

V

V

T

S

V

V

E

E

G

A

E
|
E

L

L

G

G

C

-

L

-

G

-

S

-

L

-

E

-

T

-

G

-

E

-

A

-

G

-

E

-

D

-

G

-

I

-

G

-

A

-

E

-

G

-

K

-

L

-

D

-

H

-

S

-

M

R

L

V

L

L

T

V

D

N

P

P

E

K

Q

E

A

A

A

E

D

Q

F

F

V

V

K

K

A

E

T

S

Q

Q

L

V

D

D

A

Y

L

L

A

A

I

P

A

A

I

I

G

G

T

T

S

S

H
|
H

G
|
G

A

A

Y

F

K
|
K

F

F

T

K

R

G

K

E

P

P

T

K

G

L

D

D

I

-

L

-

A

-

I

F

N

E

R

R

I

L

K

Q

E

E

I

V

H

-

A

K

R

R

I

L

P

T

N

N

T

I

H

P

L

L

V

V

M

L

H
|
H

G
|
G

S
x
A

S
|
S

S

A

V

I

P

P

Q

D

E

N

L

V

L

R

A

K

E

S

I

Y

R

L

Q

D

F

A

G

G

D

D

M

L

K

K

E

G

T

S

Y

K

G

G

V

V

P

P

V

F

E

E

E

F

I

L

Q

Q

D

E

A

S

I

V

K

K

Y

G

G

G

V

I

R

N

K

K

I

V

N
|
N

I
x
T

D
|
D

T
|
T

D

D

I

L

R
|
R

L

I

A

A

M

F

T

I

G

A

A

E

I

V

R

R

R

K

F

V

F

A

A

N

E

E

N

D

P

K

S

S

K

Q

F

F

D

D

P

L

R

R

E

K

Y

F

L

F

K

S

P

P

A

A

R

Q

E

L

A

A

A

L

K

K

L

N

V

V

C

V

K

K

A

E

R

R

Y

M

V

K

A

L

F

L

G

G

C

S

binding 1,6-di-O-phosphono-D-fructose: N23 (= N24), Q47 (= Q48), S49 (= S50), D82 (= D83), H83 (= H84), H165 (= H198), G166 (= G199), K169 (= K202), H195 (= H232), G196 (= G233), A197 (≠ S234), S198 (= S235), N238 (= N275), T239 (≠ I276), D240 (= D277), T241 (= T278), R244 (= R281)
binding zinc ion: H83 (= H84), H83 (= H84), H83 (= H84), E134 (= E142), H165 (= H198), H165 (= H198), H165 (= H198), H195 (= H232), H195 (= H232)

5uckA Class ii fructose-1,6-bisphosphate aldolase of helicobacter pylori with cleavage products (see paper)
38% identity, 91% coverage: 3:325/354 of query aligns to 2:287/291 of 5uckA

query
sites
5uckA

L

L

V

V

S

K

M

G

R

N

Q

E

L

I

L

L

D

L

H

K

A

A

A

H

E

K

N

E

G

G

Y

Y

A

G

L

V

P

G

A

A

F

F

N

N

V

F

N

V

N

N

L

F

E

E

Q

M

V

L

Q

N

A

A

I

I

M

F

Q

E

A

A

A

G

D

N

E

E

V

E

N

N

A

S

P

P

V

L

I

F

M

I

Q

Q

A

A

S
|
S

A

E

G

G

A

A

R

I

K

K

Y

Y

A

M

G

G

E

I

H

D

F

M

L

A

R

V

H

G

L

M

I

V

E

K

A

I

A

M

V

C

E

E

A

R

Y

Y

P

P

H

H

I

I

P

P

V

V

V

A

M

L

H

H

Q

L

D
|
D

H
|
H

G

G

Q

T

S

T

P

F

A

E

I

S

C

C

Q

E

A

K

A

A

I

V

D

K

L

A

G

G

F

F

S

T

S

S

V

V

M

M

M

I

D

D

G

A

S

S

L

H

R

H

E

A

D

-

G

-

K

-

T

-

P

-

S

-

D

-

Y

F

E

E

Y

E

N

N

I

L

E

E

V

L

T

T

R

S

K

K

V

V

Q

K

L

M

S

A

H

H

A

N

I

A

G

G

V

V

T

S

V

V

E

E

G

A

E
|
E

L

L

G

G

C

-

L

-

G

-

S

-

L

-

E

-

T

-

G

-

E

-

A

-

G

-

E

-

D

-

G

-

I

-

G

-

A

-

E

-

G

-

K

-

L

-

D

-

H

-

S

-

M

-

L

R

L

L

T

V

D

N

P

P

E

K

Q

E

A

A

A

E

D

Q

F

F

V

V

K

K

A

E

T

S

Q

Q

L

V

D

D

A

Y

L

L

A

A

I

P

A

A

I

I

G

G

T

T

S

S

H
|
H

G

G

A

A

Y

F

K

K

F

F

T

K

R

G

K

E

P

P

T

K

G

L

D

D

I

-

L

-

A

-

I

F

N

E

R

R

I

L

K

Q

E

E

I

V

H

-

A

K

R

R

I

L

P

T

N

N

T

I

H

P

L

L

V

V

M

L

H
|
H

G

G

S

A

S

S

S

A

V

I

P

P

Q

D

E

N

L

V

L

R

A

K

E

S

I

Y

R

L

Q

D

F

A

G

G

D

D

M

L

K

K

E

G

T

S

Y

K

G

G

V

V

P

P

V

F

E

E

E

F

I

L

Q

Q

D

E

A

S

I

V

K

K

Y

G

G

G

V

I

R

N

K

K

I

V

N

N

I

T

D
|
D

T

T

D

D

I

L

R
|
R

L

I

A

A

M

F

T

I

G

A

A

E

I

V

R

R

R

K

F

V

F

A

A

N

E

E

N

D

P

K

S

S

K

Q

F

F

D

D

P

L

R

R

E

K

Y

F

L

F

K

S

P

P

A

A

R

Q

E

L

A

A

A

L

K

K

L

N

V

V

C

V

K</