SitesBLAST

P9WIC7 Glucosyl-3-phosphoglycerate phosphatase; Mannosyl-3-phosphoglycerate phosphatase; EC 3.1.3.85; EC 3.1.3.70 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 2 papers)
37% identity, 57% coverage: 2:115/199 of query aligns to 4:121/223 of P9WIC7

query
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P9WIC7

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R10 (= R8) mutation to A: Loss of phosphatase activity.
H11 (= H9) active site, Tele-phosphohistidine intermediate; mutation to A: Almost completely abolished phosphatase activity.
N17 (= N15) mutation to A: About 5% of wild-type phosphatase activity.
K47 (≠ A45) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)
R60 (= R58) mutation to A: Loss of phosphatase activity.

Sites not aligning to the query:

159 H→A: About 5% of wild-type phosphatase activity.
209 L→E: Disrupts dimerization of the enzyme, which exists as a monomer and has lost its ability to perform dephosphorylation.

4qihA The structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase rv2419c complexes with vo3 (see paper)
37% identity, 57% coverage: 2:115/199 of query aligns to 2:119/209 of 4qihA

query
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4qihA

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active site: H9 (= H9), R58 (= R58), E82 (= E79)
binding vanadate ion: R8 (= R8), H9 (= H9), Q21 (= Q21), R58 (= R58)

Sites not aligning to the query:

binding vanadate ion: 157

4pzaB The complex structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase rv2419c with inorganic phosphate (see paper)
37% identity, 57% coverage: 2:115/199 of query aligns to 3:120/217 of 4pzaB

query
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4pzaB

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active site: H10 (= H9), R59 (= R58), E83 (= E79)
binding phosphate ion: R9 (= R8), H10 (= H9), R59 (= R58), E83 (= E79)

Sites not aligning to the query:

binding phosphate ion: 158, 159

6m1xC Crystal structure of phosphoserine phosphatase in complex with 3- phosphoglyceric acid from entamoeba histolytica (see paper)
28% identity, 94% coverage: 1:187/199 of query aligns to 1:191/196 of 6m1xC

query
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6m1xC

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binding 3-phosphoglyceric acid: R8 (= R8), H9 (= H9), Q21 (= Q21), R57 (= R58), E79 (= E79), H146 (= H144), G147 (= G145)

1k6mA Crystal structure of human liver 6-phosphofructo-2-kinase/fructose-2, 6-bisphosphatase (see paper)
34% identity, 78% coverage: 2:156/199 of query aligns to 213:366/432 of 1k6mA

query
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1k6mA

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active site: R219 (= R8), H220 (= H9), N226 (= N15), R269 (= R58), E289 (= E79), H354 (= H144)

Sites not aligning to the query:

binding phosphothiophosphoric acid-adenylate ester: 13, 14, 15, 16, 17, 18, 92, 120, 131, 134, 135, 136, 184, 210

1tipA The bisphosphatase domain of the bifunctional rat liver 6- phosphofructo-2-kinase/fructose-2,6-bisphosphatase (see paper)
32% identity, 95% coverage: 1:189/199 of query aligns to 1:190/191 of 1tipA

query
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1tipA

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active site: R8 (= R8), H9 (= H9), N15 (= N15), R58 (= R58), E78 (= E79), H143 (= H144)
binding 6-O-phosphono-beta-D-fructofuranose: I20 (≠ L20), Y89 (≠ G87), R103 (vs. gap), K107 (≠ A100), Y118 (≠ W117), R148 (= R149)

1c81A Michaelis complex of fructose-2,6-bisphosphatase
32% identity, 95% coverage: 1:189/199 of query aligns to 1:190/191 of 1c81A

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1c81A

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active site: R8 (= R8), H9 (= H9), N15 (= N15), R58 (= R58), E78 (= E79), H143 (= H144)
binding 2,5-anhydro-1-deoxy-1-phosphono-6-O-phosphono-D-glucitol: R8 (= R8), H9 (= H9), N15 (= N15), I20 (≠ L20), R58 (= R58), E78 (= E79), H143 (= H144), Q144 (≠ G145), R148 (= R149)

1c80A Regulatory complex of fructose-2,6-bisphosphatase
32% identity, 95% coverage: 1:189/199 of query aligns to 1:190/191 of 1c80A

query
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1c80A

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R

H
|
H

G

G

E

E

S

S

A

E

W

L

N
|
N

S

L

V

R

R

G

R

R

L
x
I

Q

G

G

G

Q

-

A

-

D

D

I

S

G

G

L

L

S

S

A

A

R

R

G

G

E

K

A

Q

Q

Y

A

A

T

Y

A

A

L

L

R

A

A

N

T

F

I

I

-

R

-

S

E

Q

A

G

M

I

R

S

P

S

D

L

H

K

V

V

I

W

A

T

S

S

D

H

L

M

L

K

R
|
R

A

T

R

I

H

Q

T

T

A

A

A

E

L

A

L

L

G

G

Y

V

P

P

H

Y

A

E

Q

Q

L

W

S

K

P

-

A

A

L

L

R

N

E
|
E

I
|
I

D

D

V

A

G

G

-

V

-

C

-

E

D

E

W

M

T

T

G
x
Y

R

E

A

E

I

I

G

Q

D

E

L

H

M

Y

A

P

E

E

-

E

-
x
F

-

A

-

L

-
x
R

D

D

Q

Q

D

D

A

K

Y

Y

L

-

G

-

W

-

R

-

A

-

G

-

T

R

Y

Y

A

R

P
x
Y

R

P

G

K

G

G

E

E

R

S

W
x
Y

Q

E

E

D

F

L

R

V

D

Q

R

R

V

L

T

E

A

P

G

V

L

I

G

M

K

E

A

L

V

E

S

R

I

-

P

-

G

Q

E

E

R

N

L

V

L

L

V

V

V

I

C

C

H
|
H

G
x
Q

G
x
A

V

V

I

M

R
|
R

A

C

L

L

D

A

G

Y

L

F

L

L

G

D

L

K

P

S

K

D

R

E

I

L

I

P

P

Y

V

L

G

K

P

C

A

P

S

L

V

H

T

T

V

V

L

L

A

K

D

L

K

T

P

P

-

V

-

A

G

Y

G

G

M

C

R

R

L

V

E

E

T

S

F

I

N

Y

F

L

S

N

active site: R8 (= R8), H9 (= H9), N15 (= N15), R58 (= R58), E78 (= E79), H143 (= H144)
binding guanosine-5'-triphosphate: I20 (≠ L20), E78 (= E79), I79 (= I80), Y89 (≠ G87), F100 (vs. gap), R103 (vs. gap), Y112 (≠ P111), Y118 (≠ W117), Q144 (≠ G145), A145 (≠ G146), R148 (= R149)

1c7zA Regulatory complex of fructose-2,6-bisphosphatase
32% identity, 95% coverage: 1:189/199 of query aligns to 1:190/191 of 1c7zA

query
sites
1c7zA

M

M

K

R

R

S

I

I

I

Y

L

L

V

C

R
|
R

H
|
H

G

G

E

E

S

S

A

E

W

L

N
|
N

S

L

V

R

R

G

R

R

L

I

Q

G

G

G

Q

-

A

-

D

D

I

S

G

G

L

L

S

S

A

A

R

R

G

G

E

K

A

Q

Q

Y

A

A

T

Y

A

A

L

L

R

A

A

N

T

F

I

I

-

R

-

S

E

Q

A

G

M

I

R

S

P

S

D

L

H

K

V

V

I

W

A

T

S

S

D

H

L

M

L

K

R
|
R

A

T

R

I

H

Q

T

T

A

A

A

E

L

A

L

L

G

G

Y

V

P

P

H

Y

A

E

Q

Q

L

W

S

K

P

-

A

A

L

L

R

N

E
|
E

I

I

D

D

V

A

G

G

-

V

-

C

-

E

D

E

W

M

T

T

G
x
Y

R

E

A

E

I

I

G

Q

D

E

L

H

M

Y

A

P

E

E

-

E

-

F

-

A

-

L

-
x
R

D

D

Q

Q

D

D

A
x
K

Y

Y

L

-

G

-

W

-

R

-

A

-

G

-

T

R

Y

Y

A

R

P

Y

R

P

G

K

G

G

E

E

R

S

W
x
Y

Q

E

E

D

F

L

R

V

D

Q

R

R

V

L

T

E

A

P

G

V

L

I

G

M

K

E

A

L

V

E

S

R

I

-

P

-

G

Q

E

E

R

N

L

V

L

L

V

V

V

I

C

C

H
|
H

G
x
Q

G
x
A

V

V

I

M

R
|
R

A

C

L

L

D

A

G

Y

L

F

L

L

G

D

L

K

P

S

K

D

R

E

I

L

I

P

P

Y

V

L

G

K

P

C

A

P

S

L

V

H

T

T

V

V

L

L

A

K

D

L

K

T

P

P

-

V

-

A

G

Y

G

G

M

C

R

R

L

V

E

E

T

S

F

I

N

Y

F

L

S

N

active site: R8 (= R8), H9 (= H9), N15 (= N15), R58 (= R58), E78 (= E79), H143 (= H144)
binding glyceraldehyde-3-phosphate: Y89 (≠ G87), R103 (vs. gap), K107 (≠ A100), Y118 (≠ W117), Q144 (≠ G145), A145 (≠ G146), R148 (= R149)

5zr2C Crystal structure of phosphoserine phosphatase mutant (h9a) from entamoeba histolytica in complex with phosphoserine (see paper)
28% identity, 94% coverage: 1:187/199 of query aligns to 1:191/198 of 5zr2C

query
sites
5zr2C

M

M

K

T

R

K

I

L

I

I

L

L

V

I

R
|
R

H

A

G

G

E

E

S

T

A

E

W

W

N

N

S

L

V

L

R

G

R

K

L

I

Q
|
Q

G
|
G

Q

C

A

T

D

D

I

I

G

E

L

L

S

T

A

P

R

N

G

G

E

I

A

Q

Q

Q

A

A

T

N

A

E

L

V

R

A

A

Q

T

Q

I

I

E

K

A

G

M

-

R

N

P

F

D

D

H

I

V

I

I

Y

A

S

S

S

D

P

L

L

L

H

R
|
R

A

A

R

L

H

I

T

T

A

A

-

Q

A

K

L

I

L

A

G

G

Y

D

P

K

H

E

A

V

Q

H

L

L

S

I

P

E

A

G

L

M

R

K

E
|
E

I

I

D

P

V

F

G

G

D

T

W

W

T

E

G

G

R

H

A

T

I

F

G

E

D

E

L

L

M

N

A

G

E

D

-

I

D

N

Q

Y

D

K

A

K

Y

F

L

L

G

S

W

G

R

E

A

D

G

G

T

C

Y

P

A

F

P

D

R

S

G

T

G

G

-

M

-

S

-

I

E

A

R

S

W

W

Q

S

E

K

F

K

R

N

D

A

R

Q

V

L

T

L

A

L

G

D

L

L

G

C

K

K

A

Q

V

-

S

-

I

-

P

-

G

N

E

E

R

N

L

K

L

T

V

I

V

V

C

C

-

V

-

S

H
|
H

G
|
G

G

A

V

W

I

I

R

K

A

T

L

S

L

I

D

L

G

G

L

L

G

E

L

M

P

E

P

P

K

T

R

M

I

Y

-

H

-

K

I

F

P

Q

V

L

G

G

P

N

A

T

S

G

V

I

T

T

V

T

L

F

A

I

D

F

K

R

P

H

G

G

G

H

M

P

R

V

L

L

E

T

T

S

F

F

N

N

binding phosphoserine: R8 (= R8), Q21 (= Q21), G22 (= G22), R57 (= R58), E79 (= E79), H146 (= H144), G147 (= G145)

O60825 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase 2; 6PF-2-K/Fru-2,6-P2ase 2; PFK/FBPase 2; 6PF-2-K/Fru-2,6-P2ase heart-type isozyme; EC 2.7.1.105; EC 3.1.3.46 from Homo sapiens (Human) (see 2 papers)
34% identity, 77% coverage: 4:156/199 of query aligns to 252:403/505 of O60825

query
sites
O60825

I

I

I

Y

L

L

V

C

R

R

H

H

G

G

E

E

S

S

A

E

W

F

N

N

S

L

V

L

R

G

R

K

L

I

Q

G

G

G

Q

-

A

-

D

D

I

S

G

G

L

L

S

S

A

V

R

R

G

G

E

K

A

Q

Q

F

A

A

T

Q

A

A

L

L

R

R

A

K

T

F

I

L

E

E

A

E

M

Q

R

E

P

I

D

T

-

D

-

L

H

K

V

V

I

W

A

T

S

S

D

Q

L

L

L

K

R

R

A

T

R

I

H

Q

T

T

A

A

A

E

L

S

L

L

G

G

Y

V

P

P

H

Y

A

E

Q

Q

L

W

S

K

P

-

A

I

L

L

R

N

E

E

I

I

D

D

V

A

G

G

-

V

-

C

-

E

-

M

-

T

-

Y

-

A

D

E

W

I

T

E

G

K

R

R

A

Y

I

P

G

E

D

E

L

F

M

A

A

L

E

R

D

D

Q

Q

D

E

A

K

Y

Y

L

L

G

-

W

-

R

-

A

-

G

-

T

-

Y

Y

A

R

P

Y

R

P

G

G

E

E

R

S

W

Y

Q

Q

E

D

F

L

R

V

D

Q

R

R

V

L

T

-

A

-

G

-

L

-

G

-

K

E

A

P

V

V

S

I

I

M

P

E

G

L

E

E

R

R

-

Q

-

G

-

N

L

V

L

L

V

V

V

I

C

S

H

H

G

Q

G

A

V

V

I

M

R

R

A

C

L

L

D

A

G

Y

L

F

L

L

Sites not aligning to the query:

466 modified: Phosphoserine; by AMPK; S→E: Constitutively active mutant that cannot be phosphorylated and further activated by AMPK.
468 modified: Phosphothreonine
483 modified: Phosphoserine; by BRAF
486 modified: Phosphoserine
493 modified: Phosphoserine

5htkA Human heart 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase (pfkfb2) (see paper)
34% identity, 78% coverage: 2:156/199 of query aligns to 220:373/425 of 5htkA

query
sites
5htkA

K

R

R

T

I

I

I

Y

L

L

V

C

R
|
R

H
|
H

G

G

E

E

S

S

A

E

W

F

N
|
N

S

L

V

L

R

G

R

K

L
x
I

Q
x
G

G

G

Q

-

A

-

D

D

I

S

G

G

L

L

S

S

A

V

R

R

G

G

E

K

A

Q

Q

F

A

A

T

Q

A

A

L

L

R

R

A

K

T

F

I

L

E

E

A

E

M

Q

R

E

P

I

D

T

-

D

-

L

H

K

V

V

I

W

A

T

S

S

D

Q

L

L

L

K

R
|
R

A

T

R

I

H

Q

T

T

A

A

A

E

L

S

L

L

G

G

Y

V

P

P

H

Y

A

E

Q

Q

L

W

S

K

P

-

A

I

L

L

R

N

E
|
E

I

I

D

D

V

A

G

G

-

V

-

C

-

E

-

M

-

T

-
x
Y

-

A

D

E

W

I

T

E

G

K

R

R

A

Y

I

P

G

E

D

E

L

F

M

A

A

L

E
x
R

D

D

Q

Q

D

E

A
x
K

Y

Y

L

L

G

-

W

-

R

-

A

-

G

-

T

-

Y

Y

A

R

P

Y

R

P

G

G

E

E

R

S

W
x
Y

Q

Q

E

D

F

L

R

V

D

Q

R

R

V

L

T

-

A

-

G

-

L

-

G

-

K

E

A

P

V

V

S

I

I

M

P

E

G

L

E

E

R

R

-

Q

-

G

-

N

L

V

L

L

V

V

V

I

C

S

H
|
H

G
x
Q

G

A

V

V

I

M

R
|
R

A

C

L

L

D

A

G

Y

L

F

L

L

active site: R226 (= R8), H227 (= H9), N233 (= N15), R276 (= R58), E296 (= E79), H361 (= H144)
binding 6-O-phosphono-beta-D-fructofuranose: H227 (= H9), I238 (≠ L20), G239 (≠ Q21), E296 (= E79), Y307 (vs. gap), R321 (≠ E96), K325 (≠ A100), Y336 (≠ W117), Q362 (≠ G145), R366 (= R149)

Sites not aligning to the query:

binding adenosine-5'-triphosphate: 17, 18, 19, 20, 21, 22, 140, 144, 145, 146, 397, 398
binding citrate anion: 48, 61, 72, 99, 100, 167

5ak0A Human pfkfb3 in complex with an indole inhibitor 6 (see paper)
31% identity, 96% coverage: 2:192/199 of query aligns to 243:434/442 of 5ak0A

query
sites
5ak0A

K

R

R

T

I

I

I

Y

L

L

V

C

R
|
R

H
|
H

G

G

E

E

S

N

A

E

W

H

N
|
N

S

-

V

-

R

-

L

L

Q

Q

G

G

Q

R

A

I

-
x
G

-

G

D

D

I

S

G

G

L

L

S

S

A

S

R

R

G

G

E

K

A

K

Q

F

A

A

T

S

A

A

L

L

R

S

A

K

T

F

I

V

E

E

A

E

-

Q

-

N

M

L

R

K

P

D

D

L

H

R

V

V

I

W

A

T

S

S

D

Q

L

L

L

K

R
x
S

A

T

R

I

H

Q

T

T

A

A

A

E

L

A

L

L

G

R

Y

L

P

P

H

Y

A

E

Q

Q

L

W

S

K

P

-

A

A

L

L

R

N

E
|
E

I

I

D

D

V

A

G

G

-

V

-

C

-

E

D

E

W

L

T

T

G
x
Y

R

E

A

E

I

I

G

R

D

D

L

T

M

Y

A

P

E

E

-

E

-

Y

-

A

-

L

-
x
R

D

E

Q

Q

D

D

A
x
K

Y

Y

L

Y

G

-

W

Y

R

R

A

Y

G

P

T

T

Y

-

A

-

P

-

R

-

G

-

G

G

E

E

R

S

W
x
Y

Q

Q

E

D

F

L

R

V

D

Q

R

R

V

L

T

E

A

P

G

V

L

I

G

M

K

E

A

L

V

E

S

R

I

-

P

-

G

Q

E

E

R

N

L

V

L

L

V

V

V

I

C

C

H
|
H

G
x
Q

G

A

V

V

I

L

R
|
R

A

C

L

L

D

A

G

Y

L

F

L

L

G

D

L

K

P

S

P

A

K

E

R

E

I

M

I

P

P

Y

V

L

G

K

P

C

A

P

S

L

V

H

T

T

V

V

L

L

A

K

D

L

K

T

P

P

-

V

-

A

G

Y

G

G

M

C

R

R

L

V

E

E

T

S

F

I

N

Y

F

L

S

N

P

V

D

E

G

S

active site: R249 (= R8), H250 (= H9), N256 (= N15), S299 (≠ R58), E319 (= E79), H384 (= H144)
binding 6-O-phosphono-beta-D-fructofuranose: G262 (vs. gap), E319 (= E79), Y330 (≠ G87), R344 (vs. gap), K348 (≠ A100), Y359 (≠ W117), Q385 (≠ G145), R389 (= R149)
binding phosphonic acid: R249 (= R8), H250 (= H9), H384 (= H144), Q385 (≠ G145)

Sites not aligning to the query:

binding (2s)-n-[4-[1-methyl-3-(1-methylpyrazol-4-yl)indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide: 42, 46, 47, 149, 159, 161, 214, 215, 218, 235, 236, 238

4d4lA Human pfkfb3 in complex with a pyrrolopyrimidone compound
31% identity, 96% coverage: 2:192/199 of query aligns to 243:434/442 of 4d4lA

query
sites
4d4lA

K

R

R

T

I

I

I

Y

L

L

V

C

R
|
R

H
|
H

G

G

E

E

S

N

A

E

W

H

N
|
N

S

-

V

-

R

-

L

L

Q

Q

G

G

Q

R

A
x
I

-
x
G

-

G

D

D

I

S

G

G

L

L

S

S

A

S

R

R

G

G

E

K

A

K

Q

F

A

A

T

S

A

A

L

L

R

S

A

K

T

F

I

V

E

E

A

E

-

Q

-

N

M

L

R

K

P

D

D

L

H

R

V

V

I

W

A

T

S

S

D

Q

L

L

L

K

R
x
S

A

T

R

I

H

Q

T

T

A

A

A

E

L

A

L

L

G

R

Y

L

P

P

H

Y

A

E

Q

Q

L

W

S

K

P

-

A

A

L

L

R

N

E
|
E

I

I

D

D

V

A

G

G

-

V

-

C

-

E

D

E

W

L

T

T

G
x
Y

R

E

A

E

I

I

G

R

D

D

L

T

M

Y

A

P

E

E

-

E

-

Y

-

A

-

L

-
x
R

D

E

Q

Q

D

D

A
x
K

Y

Y

L

Y

G

-

W

Y

R

R

A

Y

G

P

T

T

Y

-

A

-

P

-

R

-

G

-

G

G

E

E

R

S

W
x
Y

Q

Q

E

D

F

L

R

V

D

Q

R

R

V

L

T

E

A

P

G

V

L

I

G

M

K

E

A

L

V

E

S

R

I

-

P

-

G

Q

E

E

R

N

L

V

L

L

V

V

V

I

C

C

H
|
H

G
x
Q

G

A

V

V

I

L

R
|
R

A

C

L

L

D

A

G

Y

L

F

L

L

G

D

L

K

P

S

P

A

K

E

R

E

I

M

I

P

P

Y

V

L

G

K

P

C

A

P

S

L

V

H

T

T

V

V

L

L

A

K

D

L

K

T

P

P

-

V

-

A

G

Y

G

G

M

C

R

R

L

V

E

E

T

S

F

I

N

Y

F

L

S

N

P

V

D

E

G

S

active site: R249 (= R8), H250 (= H9), N256 (= N15), S299 (≠ R58), E319 (= E79), H384 (= H144)
binding 6-O-phosphono-beta-D-fructofuranose: I261 (≠ A24), G262 (vs. gap), E319 (= E79), Y330 (≠ G87), R344 (vs. gap), K348 (≠ A100), Y359 (≠ W117), Q385 (≠ G145), R389 (= R149)
binding phosphonic acid: R249 (= R8), H250 (= H9), N256 (= N15), H384 (= H144), Q385 (≠ G145)

Sites not aligning to the query:

4d4jA Human pfkfb3 in complex with a pyrrolopyrimidone compound
31% identity, 96% coverage: 2:192/199 of query aligns to 243:434/442 of 4d4jA

query
sites
4d4jA

K

R

R

T

I

I

I

Y

L

L

V

C

R
|
R

H
|
H

G

G

E

E

S

N

A

E

W

H

N
|
N

S

-

V

-

R

-

L

L

Q

Q

G

G

Q

R

A
x
I

-
x
G

-

G

D

D

I

S

G

G

L

L

S

S

A

S

R

R

G

G

E

K

A

K

Q

F

A

A

T

S

A

A

L

L

R

S

A

K

T

F

I

V

E

E

A

E

-

Q

-

N

M

L

R

K

P

D

D

L

H

R

V

V

I

W

A

T

S

S

D

Q

L

L

L

K

R
x
S

A

T

R

I

H

Q

T

T

A

A

A

E

L

A

L

L

G

R

Y

L

P

P

H

Y

A

E

Q

Q

L

W

S

K

P

-

A

A

L

L

R

N

E
|
E

I

I

D

D

V

A

G

G

-

V

-

C

-

E

D

E

W

L

T

T

G
x
Y

R

E

A

E

I

I

G

R

D

D

L

T

M

Y

A

P

E

E

-

E

-

Y

-

A

-

L

-
x
R

D

E

Q

Q

D

D

A
x
K

Y

Y

L

Y

G

-

W

Y

R

R

A

Y

G

P

T

T

Y

-

A

-

P

-

R

-

G

-

G

G

E

E

R

S

W
x
Y

Q

Q

E

D

F

L

R

V

D

Q

R

R

V

L

T

E

A

P

G

V

L

I

G

M

K

E

A

L

V

E

S

R

I

-

P

-

G

Q

E

E

R

N

L

V

L

L

V

V

V

I

C

C

H
|
H

G
x
Q

G

A

V

V

I

L

R
|
R

A

C

L

L

D

A

G

Y

L

F

L

L

G

D

L

K

P

S

P

A

K

E

R

E

I

M

I

P

P

Y

V

L

G

K

P

C

A

P

S

L

V

H

T

T

V

V

L

L

A

K

D

L

K

T

P

P

-

V

-

A

G

Y

G

G

M

C

R

R

L

V

E

E

T

S

F

I

N

Y

F

L

S

N

P

V

D

E

G

S

active site: R249 (= R8), H250 (= H9), N256 (= N15), S299 (≠ R58), E319 (= E79), H384 (= H144)
binding 6-O-phosphono-beta-D-fructofuranose: I261 (≠ A24), G262 (vs. gap), E319 (= E79), Y330 (≠ G87), R344 (vs. gap), K348 (≠ A100), Y359 (≠ W117), Q385 (≠ G145), R389 (= R149)
binding phosphonic acid: R249 (= R8), H250 (= H9), E319 (= E79), H384 (= H144), Q385 (≠ G145)

Sites not aligning to the query:

binding 5-(4-bromophenyl)-7-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one: 42, 43, 46, 47, 156, 160, 163, 211, 214, 235, 238, 240

5ajxA Human pfkfb3 in complex with an indole inhibitor 3 (see paper)
31% identity, 96% coverage: 2:192/199 of query aligns to 243:434/441 of 5ajxA

query
sites
5ajxA

K

R

R

T

I

I

I

Y

L

L

V

C

R
|
R

H
|
H

G

G

E

E

S

N

A

E

W

H

N
|
N

S

-

V

-

R

-

L

L

Q

Q

G

G

Q

R

A
x
I

-
x
G

-

G

D

D

I

S

G

G

L

L

S

S

A

S

R

R

G

G

E

K

A

K

Q

F

A

A

T

S

A

A

L

L

R

S

A

K

T

F

I

V

E

E

A

E

-

Q

-

N

M

L

R

K

P

D

D

L

H

R

V

V

I

W

A

T

S

S

D

Q

L

L

L

K

R
x
S

A

T

R

I

H

Q

T

T

A

A

A

E

L

A

L

L

G

R

Y

L

P

P

H

Y

A

E

Q

Q

L

W

S

K

P

-

A

A

L

L

R

N

E
|
E

I

I

D

D

V

A

G

G

-

V

-

C

-

E

D

E

W

L

T

T

G
x
Y

R

E

A

E

I

I

G

R

D

D

L

T

M

Y

A

P

E

E

-

E

-

Y

-

A

-

L

-
x
R

D

E

Q

Q

D

D

A
x
K

Y

Y

L

Y

G

-

W

Y

R

R

A

Y

G

P

T

T

Y

-

A

-

P

-

R

-

G

-

G

G

E

E

R

S

W
x
Y

Q

Q

E

D

F

L

R

V

D

Q

R

R

V

L

T

E

A

P

G

V

L

I

G

M

K

E

A

L

V

E

S

R

I

-

P

-

G

Q

E

E

R

N

L

V

L

L

V

V

V

I

C

C

H
|
H

G
x
Q

G

A

V

V

I

L

R
|
R

A

C

L

L

D

A

G

Y

L

F

L

L

G

D

L

K

P

S

P

A

K

E

R

E

I

M

I

P

P

Y

V

L

G

K

P

C

A

P

S

L

V

H

T

T

V

V

L

L

A

K

D

L

K

T

P

P

-

V

-

A

G

Y

G

G

M

C

R

R

L

V

E

E

T

S

F

I

N

Y

F

L

S

N

P

V

D

E

G

S

active site: R249 (= R8), H250 (= H9), N256 (= N15), S299 (≠ R58), E319 (= E79), H384 (= H144)
binding 6-O-phosphono-beta-D-fructofuranose: I261 (≠ A24), G262 (vs. gap), E319 (= E79), Y330 (≠ G87), R344 (vs. gap), K348 (≠ A100), Y359 (≠ W117), Q385 (≠ G145), R389 (= R149)
binding phosphonic acid: R249 (= R8), H250 (= H9), N256 (= N15), H384 (= H144), Q385 (≠ G145)

Sites not aligning to the query:

binding (2S)-N-[4-[3-cyano-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide: 42, 43, 46, 47, 211, 214, 215, 218, 235, 236, 238, 240

6hviA Human pfkfb3 in complex with a n-aryl 6-aminoquinoxaline inhibitor 2 (see paper)
31% identity, 96% coverage: 2:192/199 of query aligns to 233:424/433 of 6hviA

query
sites
6hviA

K

R

R

T

I

I

I

Y

L

L

V

C

R
|
R

H
|
H

G

G

E

E

S

N

A

E

W

H

N
|
N

S

-

V

-

R

-

L

L

Q

Q

G

G

Q

R

A

I

-
x
G

-

G

D

D

I

S

G

G

L

L

S

S

A

S

R

R

G

G

E

K

A

K

Q

F

A

A

T

S

A

A

L

L

R

S

A

K

T

F

I

V

E

E

A

E

-

Q

-

N

M

L

R

K

P

D

D

L

H

R

V

V

I

W

A

T

S

S

D

Q

L

L

L

K

R
x
S

A

T

R

I

H

Q

T

T

A

A

A

E

L

A

L

L

G

R

Y

L

P

P

H

Y

A

E

Q

Q

L

W

S

K

P

-

A

A

L

L

R

N

E
|
E

I

I

D

D

V

A

G

G

-

V

-

C

-

E

D

E

W

L

T

T

G
x
Y

R

E

A

E

I

I

G

R

D

D

L

T

M

Y

A

P

E

E

-

E

-

Y

-

A

-

L

-
x
R

D

E

Q

Q

D

D

A
x
K

Y

Y

L

Y

G

-

W

Y

R

R

A

Y

G

P

T

T

Y

-

A

-

P

-

R

-

G

-

G

G

E

E

R

S

W
x
Y

Q

Q

E

D

F

L

R

V

D

Q

R

R

V

L

T

E

A

P

G

V

L

I

G

M

K

E

A

L

V

E

S

R

I

-

P

-

G

Q

E

E

R

N

L

V

L

L

V

V

V

I

C

C

H
|
H

G
x
Q

G

A

V

V

I

L

R
|
R

A

C

L

L

D

A

G

Y

L

F

L

L

G

D

L

K

P

S

P

A

K

E

R

E

I

M

I

P

P

Y

V

L

G

K

P

C

A

P

S

L

V

H

T

T

V

V

L

L

A

K

D

L

K

T

P

P

-

V

-

A

G
x
Y

G

G

M

C

R

R

L

V

E

E

T

S

F

I

N

Y

F

L

S

N

P

V

D

E

G

S

active site: R239 (= R8), H240 (= H9), N246 (= N15), S289 (≠ R58), E309 (= E79), H374 (= H144)
binding 6-O-phosphono-beta-D-fructofuranose: G252 (vs. gap), E309 (= E79), Y320 (≠ G87), R334 (vs. gap), K338 (≠ A100), Y349 (≠ W117), Q375 (≠ G145), R379 (= R149)
binding pyrophosphate 2-: Y411 (≠ G179)

Sites not aligning to the query:

binding 8-[3-(dimethylamino)phenyl]-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine: 32, 33, 36, 37, 139, 141, 146, 150, 153, 201, 204, 228, 230
binding pyrophosphate 2-: 31, 32, 33, 34, 35, 36, 155

5ajwA Human pfkfb3 in complex with an indole inhibitor 2 (see paper)
31% identity, 96% coverage: 2:192/199 of query aligns to 240:431/439 of 5ajwA

query
sites
5ajwA

K

R

R

T

I

I

I

Y

L

L

V

C

R
|
R

H
|
H

G

G

E

E

S

N

A

E

W

H

N
|
N

S

-

V

-

R

-

L

L

Q

Q

G

G

Q

R

A

I

-
x
G

-

G

D

D

I

S

G

G

L

L

S

S

A

S

R

R

G

G

E

K

A

K

Q

F

A

A

T

S

A

A

L

L

R

S

A

K

T

F

I

V

E

E

A

E

-

Q

-

N

M

L

R

K

P

D

D

L

H

R

V

V

I

W

A

T

S

S

D

Q

L

L

L

K

R
x
S

A

T

R

I

H

Q

T

T

A

A

A

E

L

A

L

L

G

R

Y

L

P

P

H

Y

A

E

Q

Q

L

W

S

K

P

-

A

A

L

L

R

N

E
|
E

I

I

D

D

V

A

G

G

-

V

-

C

-

E

D

E

W

L

T

T

G
x
Y

R

E

A

E

I

I

G

R

D

D

L

T

M

Y

A

P

E

E

-

E

-

Y

-

A

-

L

-
x
R

D

E

Q

Q

D

D

A
x
K

Y

Y

L

Y

G

-

W

Y

R

R

A

Y

G

P

T

T

Y

-

A

-

P

-

R

-

G

-

G

G

E

E

R

S

W
x
Y

Q

Q

E

D

F

L

R

V

D

Q

R

R

V

L

T

E

A

P

G

V

L

I

G

M

K

E

A

L

V

E

S

R

I

-

P

-

G

Q

E

E

R

N

L

V

L

L

V

V

V

I

C

C

H
|
H

G
x
Q

G

A

V

V

I

L

R
|
R

A

C

L

L

D

A

G

Y

L

F

L

L

G

D

L

K

P

S

P

A

K

E

R

E

I

M

I

P

P

Y

V

L

G

K

P

C

A

P

S

L

V

H

T

T

V

V

L

L

A

K

D

L

K

T

P

P

-

V

-

A

G

Y

G

G

M

C

R

R

L

V

E

E

T

S

F

I

N

Y

F

L

S

N

P

V

D

E

G

S

active site: R246 (= R8), H247 (= H9), N253 (= N15), S296 (≠ R58), E316 (= E79), H381 (= H144)
binding 6-O-phosphono-beta-D-fructofuranose: G259 (vs. gap), E316 (= E79), Y327 (≠ G87), R341 (vs. gap), K345 (≠ A100), Y356 (≠ W117), Q382 (≠ G145), R386 (= R149)
binding phosphonic acid: R246 (= R8), H247 (= H9), N253 (= N15), H381 (= H144), Q382 (≠ G145)

Sites not aligning to the query:

binding 2-amino-N-[4-(2-amino-1-benzyl-3-cyano-indol-5-yl)oxyphenyl]acetamide: 39, 40, 43, 44, 153, 157, 208, 211, 212, 215, 232, 233, 235, 237

Query Sequence

>SMa0527 FitnessBrowser__Smeli:SMa0527
MKRIILVRHGESAWNSVRRLQGQADIGLSARGEAQATALRATIEAMRPDHVIASDLLRAR
HTAALLGYPHAQLSPALREIDVGDWTGRAIGDLMAEDQDAYLGWRAGTYAPRGGERWQEF
RDRVTAGLGKAVSIPGERLLVVCHGGVIRALLDGLLGLPPKRIIPVGPASVTVLADKPGG
MRLETFNFSPDGPVFDAPD

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