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)
36% identity, 79% coverage: 3:156/194 of query aligns to 6:161/223 of P9WIC7

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P9WIC7

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R10 (= R7) mutation to A: Loss of phosphatase activity.
H11 (= H8) active site, Tele-phosphohistidine intermediate; mutation to A: Almost completely abolished phosphatase activity.
N17 (= N14) mutation to A: About 5% of wild-type phosphatase activity.
K47 (≠ S48) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)
R60 (= R62) mutation to A: Loss of phosphatase activity.
H159 (= H154) mutation to A: About 5% of wild-type phosphatase activity.

Sites not aligning to the query:

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)
36% identity, 79% coverage: 3:156/194 of query aligns to 4:159/209 of 4qihA

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active site: H9 (= H8), R58 (= R62), E82 (= E89)
binding vanadate ion: R8 (= R7), H9 (= H8), Q21 (= Q20), R58 (= R62), H157 (= H154)

4pzaB The complex structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase rv2419c with inorganic phosphate (see paper)
36% identity, 79% coverage: 3:156/194 of query aligns to 5:160/217 of 4pzaB

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4pzaB

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active site: H10 (= H8), R59 (= R62), E83 (= E89)
binding phosphate ion: R9 (= R7), H10 (= H8), R59 (= R62), E83 (= E89), H158 (= H154), G159 (= G155)

6m1xC Crystal structure of phosphoserine phosphatase in complex with 3- phosphoglyceric acid from entamoeba histolytica (see paper)
33% identity, 86% coverage: 3:169/194 of query aligns to 4:161/196 of 6m1xC

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6m1xC

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binding 3-phosphoglyceric acid: R8 (= R7), H9 (= H8), Q21 (= Q20), R57 (= R62), E79 (= E89), H146 (= H154), G147 (= G155)

Q9NQ88 Fructose-2,6-bisphosphatase TIGAR; TP53-induced glycolysis and apoptosis regulator; TP53-induced glycolysis regulatory phosphatase; EC 3.1.3.46 from Homo sapiens (Human) (see 4 papers)
37% identity, 63% coverage: 3:125/194 of query aligns to 6:121/270 of Q9NQ88

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Q9NQ88

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H11 (= H8) mutation to A: Abolishes the ability to lower cellular fructose-2,6-bisphosphate levels, to inhibit the glycolytic activity, to reduce levels of ROS, to increase oxygen consumption and to protect toward hypoxic cell death; when associated with A-11 and A-102. Retains the ability to interact and enhance HK2 activity, to localize to the mitochondria, to limit mitochondrial ROS level increase during hypoxia and to rescued partially crypt growth; when associated with A-102 and A-198. Loss of the ability to protect against cell death during hypoxia; when associated with A-102; A-198 and 258-N--D-261 Del.
E102 (= E102) mutation to A: Abolishes the ability to lower cellular fructose-2,6-bisphosphate levels, to inhibit the glycolytic activity, to reduce levels of ROS, to increase oxygen consumption and to protect toward hypoxic cell death; when associated with A-11 and A-198. Retains the ability to interact and enhance HK2 activity, to localize to the mitochondria, to limit mitochondrial ROS level increase during hypoxia and to rescued partially crypt growth; when associated with A-11 and A-198. Loss of the ability to protect against cell death during hypoxia; when associated with A-11; A-198 and 258-N--D-261 Del.

Sites not aligning to the query:

198 H→A: Abolishes the ability to lower cellular fructose-2,6-bisphosphate levels, to inhibit the glycolytic activity, to reduce levels of ROS, to increase oxygen consumption and to protect toward hypoxic cell death; when associated with A-11 and A-102. Retains the ability to interact and enhance HK2 activity, to localize to the mitochondria, to limit mitochondrial ROS level increase during hypoxia and to rescued partially crypt growth; when associated with A-11 and A-102. Loss of the ability to protect against cell death during hypoxia; when associated with A-11; A-102 and 258-N--D-261 Del.
258:261 mutation Missing: Inhibits the ability to interact and enhance HK2 activity, to localize to the mitochondria, to protect against the decrease of mitochondrial membrane potential and to limit mitochondrial ROS level increase during hypoxia. Does not abolish the ability to lower cellular fructose-2,6-bisphosphate levels during hypoxia. Loss of the ability to protect against cell death during hypoxia; when associated with A-11; A-102 and A-198.

5zr2C Crystal structure of phosphoserine phosphatase mutant (h9a) from entamoeba histolytica in complex with phosphoserine (see paper)
32% identity, 86% coverage: 3:169/194 of query aligns to 4:161/198 of 5zr2C

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5zr2C

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binding phosphoserine: R8 (= R7), Q21 (= Q20), G22 (= G21), R57 (= R62), E79 (= E89), H146 (= H154), G147 (= G155)

5ajxA Human pfkfb3 in complex with an indole inhibitor 3 (see paper)
27% identity, 98% coverage: 3:192/194 of query aligns to 245:422/441 of 5ajxA

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S

V

W

Q

R

R

V

L

G

E

A

P

W

V

L

I

R

M

S

E

V

L

T

E

R

R

P

Q

-

E

-

N

T

V

V

L

C

V

V

I

S

C

H
|
H

G
x
Q

G

A

V

V

I

L

R
|
R

A

C

L

L

F

L

K

A

L

Y

L

F

G

L

E

D

M

K

D

S

A

A

D

E

E

E

A

M

A

P

A

Y

A

L

A

K

I

C

P

P

Q

L

D

H

R

T

L

V

L

L

K

K

I

L

V

T

D

P

G

V

S

A

I

Y

G

G

active site: R249 (= R7), H250 (= H8), N256 (= N14), S299 (≠ R62), E319 (= E89), H384 (= H154)
binding 6-O-phosphono-beta-D-fructofuranose: I261 (≠ L19), G262 (≠ Q20), E319 (= E89), Y330 (≠ L100), R344 (= R114), K348 (= K118), Y359 (= Y131), Q385 (≠ G155), R389 (= R159)
binding phosphonic acid: R249 (= R7), H250 (= H8), N256 (= N14), H384 (= H154), Q385 (≠ G155)

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

6ibyA Human pfkfb3 in complex with a n-aryl 6-aminoquinoxaline inhibitor 6 (see paper)
27% identity, 98% coverage: 3:192/194 of query aligns to 230:407/428 of 6ibyA

query
sites
6ibyA

I

I

Y

Y

M

L

V

C

R

R

H

H

G

G

Q

E

T

N

D

E

W

H

N

N

A

L

E

Q

S

G

R

R

L

I

Q
x
G

G

G

Q

-

K

-

D

D

I

S

P

G

L

L

N

S

E

S

T

R

G

G

R

K

Q

K

Q

F

A

A

T

S

G

-

N

-

G

-

V

-

A

A

L

L

S

S

R

K

I

F

I

V

-

E

G

E

S

Q

G

N

A

L

A

K

D

D

F

L

D

R

F

V

V

W

S

T

S

S

P

Q

L

L

G

K

R

S

T

T

R

I

E

Q

T

T

M

A

E

E

R

A

L

L

R

R

R

-

A

-

M

-

D

-

L

-

D

-

P

-

L

L

A

P

Y

Y

R

E

T

Q

D

W

E

K

R

A

L

L

K

N

E
|
E

V

I

S

D

F

A

G

G

D

V

W

C

E

E

G

E

Y

L

T

T

L
x
Y

P

E

E

E

L

I

K

R

R

D

L

T

V

Y

P

P

E

E

R

E

I

Y

A

A

E

L

R
|
R

R

E

V

Q

A

D

K
|
K

W

Y

D

Y

F

Y

I

-

P

-

P

R

G

Y

P

P

D

T

A

G

E

E

S

S

Y
|
Y

E

Q

I

D

L

L

S

V

W

Q

R

R

V

L

G

E

A

P

W

V

L

I

R

M

S

E

V

L

T

E

R

R

P

Q

-

E

-

N

T

V

V

L

C

V

V

I

S

C

H

H

G
x
Q

G

A

V

V

I

L

R
|
R

A

C

L

L

F

L

K

A

L

Y

L

F

G

L

E

D

M

K

D

S

A

A

D

E

E

E

A

M

A

P

A

Y

A

L

A

K

I

C

P

P

Q

L

D

H

R

T

L

V

L

L

K

K

I

L

V

T

D

P

G

V

S

A

I
x
Y

G

G

binding 6-O-phosphono-beta-D-fructofuranose: G247 (≠ Q20), E304 (= E89), Y315 (≠ L100), R329 (= R114), K333 (= K118), Y344 (= Y131), Q370 (≠ G155), R374 (= R159)
binding pyrophosphate 2-: Y406 (≠ I191)

Sites not aligning to the query:

binding 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpyrrolidin-3-yl]pyridine-4-carboxamide: 27, 31, 32, 134, 136, 145, 148, 196, 199, 200, 223
binding pyrophosphate 2-: 25, 26, 27, 28, 29, 30, 31, 150

5ajyA Human pfkfb3 in complex with an indole inhibitor 4 (see paper)
27% identity, 98% coverage: 3:192/194 of query aligns to 243:420/439 of 5ajyA

query
sites
5ajyA

I

I

Y

Y

M

L

V

C

R
|
R

H
|
H

G

G

Q

E

T

N

D

E

W

H

N
|
N

A

L

E

Q

S

G

R

R

L

I

Q
x
G

G

G

Q

-

K

-

D

D

I

S

P

G

L

L

N

S

E

S

T

R

G

G

R

K

Q

K

Q

F

A

A

T

S

G

-

N

-

G

-

V

-

A

A

L

L

S

S

R

K

I

F

I

V

-

E

G

E

S

Q

G

N

A

L

A

K

D

D

F

L

D

R

F

V

V

W

S

T

S

S

P

Q

L

L

G

K

R
x
S

T

T

R

I

E

Q

T

T

M

A

E

E

R

A

L

L

R

R

R

-

A

-

M

-

D

-

L

-

D

-

P

-

L

L

A

P

Y

Y

R

E

T

Q

D

W

E

K

R

A

L

L

K

N

E
|
E

V

I

S

D

F

A

G

G

D

V

W

C

E

E

G

E

Y

L

T

T

L
x
Y

P

E

E

E

L

I

K

R

R

D

L

T

V

Y

P

P

E

E

R

E

I

Y

A

A

E

L

R
|
R

R

E

V

Q

A

D

K
|
K

W

Y

D

Y

F

Y

I

-

P

-

P

R

G

Y

P

P

D

T

A

G

E

E

S

S

Y
|
Y

E

Q

I

D

L

L

S

V

W

Q

R

R

V

L

G

E

A

P

W

V

L

I

R

M

S

E

V

L

T

E

R

R

P

Q

-

E

-

N

T

V

V

L

C

V

V

I

S

C

H
|
H

G
x
Q

G

A

V

V

I

L

R
|
R

A

C

L

L

F

L

K

A

L

Y

L

F

G

L

E

D

M

K

D

S

A

A

D

E

E

E

A

M

A

P

A

Y

A

L

A

K

I

C

P

P

Q

L

D

H

R

T

L

V

L

L

K

K

I

L

V

T

D

P

G

V

S

A

I

Y

G

G

active site: R247 (= R7), H248 (= H8), N254 (= N14), S297 (≠ R62), E317 (= E89), H382 (= H154)
binding 6-O-phosphono-beta-D-fructofuranose: G260 (≠ Q20), E317 (= E89), Y328 (≠ L100), R342 (= R114), K346 (= K118), Y357 (= Y131), Q383 (≠ G155), R387 (= R159)
binding phosphonic acid: R247 (= R7), H248 (= H8), N254 (= N14), H382 (= H154), Q383 (≠ G155)

Sites not aligning to the query:

binding N-(4-{[3-(1-methyl-1H-pyrazol-4-yl)-1H-indol-5-yl]oxy}phenyl)glycinamide: 40, 45, 147, 154, 212, 213, 233, 234, 236, 238

4d4mA Human pfkfb3 in complex with a pyrrolopyrimidone compound
27% identity, 98% coverage: 3:192/194 of query aligns to 243:420/439 of 4d4mA

query
sites
4d4mA

I

I

Y

Y

M

L

V

C

R
|
R

H
|
H

G

G

Q

E

T

N

D

E

W

H

N
|
N

A

L

E

Q

S

G

R

R

L

I

Q
x
G

G

G

Q

-

K

-

D

D

I

S

P

G

L

L

N

S

E

S

T

R

G

G

R

K

Q

K

Q

F

A

A

T

S

G

-

N

-

G

-

V

-

A

A

L

L

S

S

R

K

I

F

I

V

-

E

G

E

S

Q

G

N

A

L

A

K

D

D

F

L

D

R

F

V

V

W

S

T

S

S

P

Q

L

L

G

K

R
x
S

T

T

R

I

E

Q

T

T

M

A

E

E

R

A

L

L

R

R

R

-

A

-

M

-

D

-

L

-

D

-

P

-

L

L

A

P

Y

Y

R

E

T

Q

D

W

E

K

R

A

L

L

K

N

E
|
E

V

I

S

D

F

A

G

G

D

V

W

C

E

E

G

E

Y

L

T

T

L
x
Y

P

E

E

E

L

I

K

R

R

D

L

T

V

Y

P

P

E

E

R

E

I

Y

A

A

E

L

R
|
R

R

E

V

Q

A

D

K
|
K

W

Y

D

Y

F

Y

I

-

P

-

P

R

G

Y

P

P

D

T

A

G

E

E

S

S

Y
|
Y

E

Q

I

D

L

L

S

V

W

Q

R

R

V

L

G

E

A

P

W

V

L

I

R

M

S

E

V

L

T

E

R

R

P

Q

-

E

-

N

T

V

V

L

C

V

V

I

S

C

H
|
H

G
x
Q

G

A

V

V

I

L

R
|
R

A

C

L

L

F

L

K

A

L

Y

L

F

G

L

E

D

M

K

D

S

A

A

D

E

E

E

A

M

A

P

A

Y

A

L

A

K

I

C

P

P

Q

L

D

H

R

T

L

V

L

L

K

K

I

L

V

T

D

P

G

V

S

A

I

Y

G

G

active site: R247 (= R7), H248 (= H8), N254 (= N14), S297 (≠ R62), E317 (= E89), H382 (= H154)
binding 6-O-phosphono-beta-D-fructofuranose: G260 (≠ Q20), E317 (= E89), Y328 (≠ L100), R342 (= R114), K346 (= K118), Y357 (= Y131), Q383 (≠ G155), R387 (= R159)
binding phosphonic acid: R247 (= R7), H248 (= H8), N254 (= N14), H382 (= H154), Q383 (≠ G155)

Sites not aligning to the query:

binding 7-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one: 40, 41, 44, 45, 154, 158, 161, 209, 212, 233, 236, 238

3qpwA Pfkfb3 in complex with aluminum tetrafluoride (see paper)
27% identity, 98% coverage: 3:192/194 of query aligns to 240:417/431 of 3qpwA

query
sites
3qpwA

I

I

Y

Y

M

L

V

C

R
|
R

H
|
H

G

G

Q

E

T

N

D

E

W

H

N
|
N

A

L

E

Q

S

G

R

R

L

I

Q

G

G

G

Q

-

K

-

D

D

I

S

P

G

L

L

N

S

E

S

T

R

G

G

R

K

Q

K

Q

F

A

A

T

S

G

-

N

-

G

-

V

-

A

A

L

L

S

S

R

K

I

F

I

V

-

E

G

E

S

Q

G

N

A

L

A

K

D

D

F

L

D

R

F

V

V

W

S

T

S

S

P

Q

L

L

G

K

R
x
S

T

T

R

I

E

Q

T

T

M

A

E

E

R

A

L

L

R

R

R

-

A

-

M

-

D

-

L

-

D

-

P

-

L

L

A

P

Y

Y

R

E

T

Q

D

W

E

K

R

A

L

L

K

N

E
|
E

V

I

S

D

F

A

G

G

D

V

W

C

E

E

G

E

Y

L

T

T

L

Y

P

E

E

E

L

I

K

R

R

D

L

T

V

Y

P

P

E

E

R

E

I

Y

A

A

E

L

R

R

R

E

V

Q

A

D

K

K

W

Y

D

Y

F

Y

I

-

P

-

P

R

G

Y

P

P

D

T

A

G

E

E

S

S

Y

Y

E

Q

I

D

L

L

S

V

W

Q

R

R

V

L

G

E

A

P

W

V

L

I

R

M

S

E

V

L

T

E

R

R

P

Q

-

E

-

N

T

V

V

L

C

V

V

I

S

C

H
|
H

G
x
Q

G

A

V

V

I

L

R

R

A

C

L

L

F

L

K

A

L

Y

L

F

G

L

E

D

M

K

D

S

A

A

D

E

E

E

A

M

A

P

A

Y

A

L

A

K

I

C

P

P

Q

L

D

H

R

T

L

V

L

L

K

K

I

L

V

T

D

P

G

V

S

A

I
x
Y

G

G

active site: R244 (= R7), H245 (= H8), N251 (= N14), S294 (≠ R62), E314 (= E89), H379 (= H154)
binding adenosine-5'-diphosphate: Y416 (≠ I191)
binding tetrafluoroaluminate ion: R244 (= R7), H245 (= H8), H379 (= H154), Q380 (≠ G155)

Sites not aligning to the query:

binding adenosine-5'-diphosphate: 36, 37, 38, 39, 40, 41, 144, 155, 158, 159, 160, 235
binding phosphoenolpyruvate: 63, 66, 79, 90, 118, 185

5ak0A Human pfkfb3 in complex with an indole inhibitor 6 (see paper)
27% identity, 98% coverage: 3:192/194 of query aligns to 245:422/442 of 5ak0A

query
sites
5ak0A

I

I

Y

Y

M

L

V

C

R
|
R

H
|
H

G

G

Q

E

T

N

D

E

W

H

N
|
N

A

L

E

Q

S

G

R

R

L

I

Q
x
G

G

G

Q

-

K

-

D

D

I

S

P

G

L

L

N

S

E

S

T

R

G

G

R

K

Q

K

Q

F

A

A

T

S

G

-

N

-

G

-

V

-

A

A

L

L

S

S

R

K

I

F

I

V

-

E

G

E

S

Q

G

N

A

L

A

K

D

D

F

L

D

R

F

V

V

W

S

T

S

S

P

Q

L

L

G

K

R
x
S

T

T

R

I

E

Q

T

T

M

A

E

E

R

A

L

L

R

R

R

-

A

-

M

-

D

-

L

-

D

-

P

-

L

L

A

P

Y

Y

R

E

T

Q

D

W

E

K

R

A

L

L

K

N

E
|
E

V

I

S

D

F

A

G

G

D

V

W

C

E

E

G

E

Y

L

T

T

L
x
Y

P

E

E

E

L

I

K

R

R

D

L

T

V

Y

P

P

E

E

R

E

I

Y

A

A

E

L

R
|
R

R

E

V

Q

A

D

K
|
K

W

Y

D

Y

F

Y

I

-

P

-

P

R

G

Y

P

P

D

T

A

G

E

E

S

S

Y
|
Y

E

Q

I

D

L

L

S

V

W

Q

R

R

V

L

G

E

A

P

W

V

L

I

R

M

S

E

V

L

T

E

R

R

P

Q

-

E

-

N

T

V

V

L

C

V

V

I

S

C

H
|
H

G
x
Q

G

A

V

V

I

L

R
|
R

A

C

L

L

F

L

K

A

L

Y

L

F

G

L

E

D

M

K

D

S

A

A

D

E

E

E

A

M

A

P

A

Y

A

L

A

K

I

C

P

P

Q

L

D

H

R

T

L

V

L

L

K

K

I

L

V

T

D

P

G

V

S

A

I

Y

G

G

active site: R249 (= R7), H250 (= H8), N256 (= N14), S299 (≠ R62), E319 (= E89), H384 (= H154)
binding 6-O-phosphono-beta-D-fructofuranose: G262 (≠ Q20), E319 (= E89), Y330 (≠ L100), R344 (= R114), K348 (= K118), Y359 (= Y131), Q385 (≠ G155), R389 (= R159)
binding phosphonic acid: R249 (= R7), H250 (= H8), H384 (= H154), Q385 (≠ G155)

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

5ajvB Human pfkfb3 in complex with an indole inhibitor 1 (see paper)
27% identity, 98% coverage: 3:192/194 of query aligns to 238:415/435 of 5ajvB

query
sites
5ajvB

I

I

Y

Y

M

L

V

C

R
|
R

H
|
H

G

G

Q

E

T

N

D

E

W

H

N

N

A

L

E

Q

S

G

R

R

L

I

Q

G

G

G

Q

-

K

-

D

D

I

S

P

G

L

L

N

S

E

S

T

R

G

G

R

K

Q

K

Q

F

A

A

T

S

G

-

N

-

G

-

V

-

A

A

L

L

S

S

R

K

I

F

I

V

-

E

G

E

S

Q

G

N

A

L

A

K

D

D

F

L

D

R

F

V

V

W

S

T

S

S

P

Q

L

L

G

K

R

S

T

T

R

I

E

Q

T

T

M

A

E

E

R

A

L

L

R

R

R

-

A

-

M

-

D

-

L

-

D

-

P

-

L

L

A

P

Y

Y

R

E

T

Q

D

W

E

K

R

A

L

L

K

N

E
|
E

V

I

S

D

F

A

G

G

D

V

W

C

E

E

G

E

Y

L

T

T

L
x
Y

P

E

E

E

L

I

K

R

R

D

L

T

V

Y

P

P

E

E

R

E

I

Y

A

A

E

L

R
|
R

R

E

V

Q

A

D

K
|
K

W

Y

D

Y

F

Y

I

-

P

-

P

R

G

Y

P

P

D

T

A

G

E

E

S

S

Y
|
Y

E

Q

I

D

L

L

S

V

W

Q

R

R

V

L

G

E

A

P

W

V

L

I

R

M

S

E

V

L

T

E

R

R

P

Q

-

E

-

N

T

V

V

L

C

V

V

I

S

C

H
|
H

G
x
Q

G

A

V

V

I

L

R
|
R

A

C

L

L

F

L

K

A

L

Y

L

F

G

L

E

D

M

K

D

S

A

A

D

E

E

E

A

M

A

P

A

Y

A

L

A

K

I

C

P

P

Q

L

D

H

R

T

L

V

L

L

K

K

I

L

V

T

D

P

G

V

S

A

I

Y

G

G

binding 2,6-di-O-phosphono-beta-D-fructofuranose: R242 (= R7), H243 (= H8), E312 (= E89), Y323 (≠ L100), R337 (= R114), K341 (= K118), Y352 (= Y131), H377 (= H154), Q378 (≠ G155), R382 (= R159)

Sites not aligning to the query:

binding (2S)-2-amino-N-[4-[(2-amino-3-cyano-1H-indol-5-yl)oxy]phenyl]-3-hydroxy-propanamide: 35, 39, 40, 204, 207, 208, 228, 229, 231

4d4lA Human pfkfb3 in complex with a pyrrolopyrimidone compound
27% identity, 98% coverage: 3:192/194 of query aligns to 245:422/442 of 4d4lA

query
sites
4d4lA

I

I

Y

Y

M

L

V

C

R
|
R

H
|
H

G

G

Q

E

T

N

D

E

W

H

N
|
N

A

L

E

Q

S

G

R

R

L
x
I

Q
x
G

G

G

Q

-

K

-

D

D

I

S

P

G

L

L

N

S

E

S

T

R

G

G

R

K

Q

K

Q

F

A

A

T

S

G

-

N

-

G

-

V

-

A

A

L

L

S

S

R

K

I

F

I

V

-

E

G

E

S

Q

G

N

A

L

A

K

D

D

F

L

D

R

F

V

V

W

S

T

S

S

P

Q

L

L

G

K

R
x
S

T

T

R

I

E

Q

T

T

M

A

E

E

R

A

L

L

R

R

R

-

A

-

M

-

D

-

L

-

D

-

P

-

L

L

A

P

Y

Y

R

E

T

Q

D

W

E

K

R

A

L

L

K

N

E
|
E

V

I

S

D

F

A

G

G

D

V

W

C

E

E

G

E

Y

L

T

T

L
x
Y

P

E

E

E

L

I

K

R

R

D

L

T

V

Y

P

P

E

E

R

E

I

Y

A

A

E

L

R
|
R

R

E

V

Q

A

D

K
|
K

W

Y

D

Y

F

Y

I

-

P

-

P

R

G

Y

P

P

D

T

A

G

E

E

S

S

Y
|
Y

E

Q

I

D

L

L

S

V

W

Q

R

R

V

L

G

E

A

P

W

V

L

I

R

M

S

E

V

L

T

E

R

R

P

Q

-

E

-

N

T

V

V

L

C

V

V

I

S

C

H
|
H

G
x
Q

G

A

V

V

I

L

R
|
R

A

C

L

L

F

L

K

A

L

Y

L

F

G

L

E

D

M

K

D

S

A

A

D

E

E

E

A

M

A

P

A

Y

A

L

A

K

I

C

P

P

Q

L

D

H

R

T

L

V

L

L

K

K

I

L

V

T

D

P

G

V

S

A

I

Y

G

G

active site: R249 (= R7), H250 (= H8), N256 (= N14), S299 (≠ R62), E319 (= E89), H384 (= H154)
binding 6-O-phosphono-beta-D-fructofuranose: I261 (≠ L19), G262 (≠ Q20), E319 (= E89), Y330 (≠ L100), R344 (= R114), K348 (= K118), Y359 (= Y131), Q385 (≠ G155), R389 (= R159)
binding phosphonic acid: R249 (= R7), H250 (= H8), N256 (= N14), H384 (= H154), Q385 (≠ G155)

Sites not aligning to the query:

4d4jA Human pfkfb3 in complex with a pyrrolopyrimidone compound
27% identity, 98% coverage: 3:192/194 of query aligns to 245:422/442 of 4d4jA

query
sites
4d4jA

I

I

Y

Y

M

L

V

C

R
|
R

H
|
H

G

G

Q

E

T

N

D

E

W

H

N
|
N

A

L

E

Q

S

G

R

R

L
x
I

Q
x
G

G

G

Q

-

K

-

D

D

I

S

P

G

L

L

N

S

E

S

T

R

G

G

R

K

Q

K

Q

F

A

A

T

S

G

-

N

-

G

-

V

-

A

A

L

L

S

S

R

K

I

F

I

V

-

E

G

E

S

Q

G

N

A

L

A

K

D

D

F

L

D

R

F

V

V

W

S

T

S

S

P

Q

L

L

G

K

R
x
S

T

T

R

I

E

Q

T

T

M

A

E

E

R

A

L

L

R

R

R

-

A

-

M

-

D

-

L

-

D

-

P

-

L

L

A

P

Y

Y

R

E

T

Q

D

W

E

K

R

A

L

L

K

N

E
|
E

V

I

S

D

F

A

G

G

D

V

W

C

E

E

G

E

Y

L

T

T

L
x
Y

P

E

E

E

L

I

K

R

R

D

L

T

V

Y

P

P

E

E

R

E

I

Y

A

A

E

L

R
|
R

R

E

V

Q

A

D

K
|
K

W

Y

D

Y

F

Y

I

-

P

-

P

R

G

Y

P

P

D

T

A

G

E

E

S

S

Y
|
Y

E

Q

I

D

L

L

S

V

W

Q

R

R

V

L

G

E

A

P

W

V

L

I

R

M

S

E

V

L

T

E

R

R

P

Q

-

E

-

N

T

V

V

L

C

V

V

I

S

C

H
|
H

G
x
Q

G

A

V

V

I

L

R
|
R

A

C

L

L

F

L

K

A

L

Y

L

F

G

L

E

D

M

K

D

S

A

A

D

E

E

E

A

M

A

P

A

Y

A

L

A

K

I

C

P

P

Q

L

D

H

R

T

L

V

L

L

K

K

I

L

V

T

D

P

G

V

S

A

I

Y

G

G

active site: R249 (= R7), H250 (= H8), N256 (= N14), S299 (≠ R62), E319 (= E89), H384 (= H154)
binding 6-O-phosphono-beta-D-fructofuranose: I261 (≠ L19), G262 (≠ Q20), E319 (= E89), Y330 (≠ L100), R344 (= R114), K348 (= K118), Y359 (= Y131), Q385 (≠ G155), R389 (= R159)
binding phosphonic acid: R249 (= R7), H250 (= H8), E319 (= E89), H384 (= H154), Q385 (≠ G155)

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

6ic0A Human pfkfb3 in complex with a n-aryl 6-aminoquinoxaline inhibitor 4 (see paper)
27% identity, 98% coverage: 3:192/194 of query aligns to 231:408/428 of 6ic0A

query
sites
6ic0A

I

I

Y

Y

M

L

V

C

R

R

H

H

G

G

Q

E

T

N

D

E

W

H

N

N

A

L

E

Q

S

G

R

R

L

I

Q
x
G

G

G

Q

-

K

-

D

D

I

S

P

G

L

L

N

S

E

S

T

R

G

G

R

K

Q

K

Q

F

A

A

T

S

G

-

N

-

G

-

V

-

A

A

L

L

S

S

R

K

I

F

I

V

-

E

G

E

S

Q

G

N

A

L

A

K

D

D

F

L

D

R

F

V

V

W

S

T

S

S

P

Q

L

L

G

K

R

S

T

T

R

I

E

Q

T

T

M

A

E

E

R

A

L

L

R

R

R

-

A

-

M

-

D

-

L

-

D

-

P

-

L

L

A

P

Y

Y

R

E

T

Q

D

W

E

K

R

A

L

L

K

N

E
|
E

V

I

S

D

F

A

G

G

D

V

W

C

E

E

G

E

Y

L

T

T

L
x
Y

P

E

E

E

L

I

K

R

R

D

L

T

V

Y

P

P

E

E

R

E

I

Y

A

A

E

L

R
|
R

R

E

V

Q

A

D

K
|
K

W

Y

D

Y

F

Y

I

-

P

-

P

R

G

Y

P

P

D

T

A

G

E

E

S

S

Y
|
Y

E

Q

I

D

L

L

S

V

W

Q

R

R

V

L

G

E

A

P

W

V

L

I

R

M

S

E

V

L

T

E

R

R

P

Q

-

E

-

N

T

V

V

L

C

V

V

I

S

C

H

H

G
x
Q

G

A

V

V

I

L

R
|
R

A

C

L

L

F

L

K

A

L

Y

L

F

G

L

E

D

M

K

D

S

A

A

D

E

E

E

A

M

A

P

A

Y

A

L

A

K

I

C

P

P

Q

L

D

H

R

T

L

V

L

L

K

K

I

L

V

T

D
x
P

G

V

S

A

I
x
Y

G

G

binding 6-O-phosphono-beta-D-fructofuranose: G248 (≠ Q20), E305 (= E89), Y316 (≠ L100), R330 (= R114), K334 (= K118), Y345 (= Y131), Q371 (≠ G155), R375 (= R159)
binding 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide: P404 (≠ D188)
binding pyrophosphate 2-: Y407 (≠ I191)

Sites not aligning to the query:

binding 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-pyrimidin-5-yl-pyridine-4-carboxamide: 28, 29, 32, 33, 135, 137, 146, 149, 197, 200, 224, 226
binding pyrophosphate 2-: 26, 27, 28, 29, 30, 31, 32, 151

2i1vB Crystal structure of pfkfb3 in complex with adp and fructose-2,6- bisphosphate (see paper)
27% identity, 98% coverage: 3:192/194 of query aligns to 244:421/449 of 2i1vB

query
sites
2i1vB

I

I

Y

Y

M

L

V

C

R
|
R

H
|
H

G

G

Q

E

T

N

D

E

W

H

N
|
N

A

L

E

Q

S

G

R

R

L
x
I

Q
x
G

G

G

Q

-

K

-

D

D

I

S

P

G

L

L

N

S

E

S

T

R

G

G

R

K

Q

K

Q

F

A

A

T

S

G

-

N

-

G

-

V

-

A

A

L

L

S

S

R

K

I

F

I

V

-

E

G

E

S

Q

G

N

A

L

A

K

D

D

F

L

D

R

F

V

V

W

S

T

S

S

P

Q

L

L

G

K

R

S

T

T

R

I

E

Q

T

T

M

A

E

E

R

A

L

L

R

R

R

-

A

-

M

-

D

-

L

-

D

-

P

-

L

L

A

P

Y

Y

R

E

T

Q

D

W

E

K

R

A

L

L

K

N

E
|
E

V

I

S

D

F

A

G

G

D

V

W

C

E

E

G

E

Y

L

T

T

L
x
Y

P

E

E

E

L

I

K

R

R

D

L

T

V

Y

P

P

E

E

R

E

I

Y

A

A

E

L

R
|
R

R

E

V

Q

A

D

K
|
K

W

Y

D

Y

F

Y

I

-

P

-

P

R

G

Y

P

P

D

T

A

G

E

E

S

S

Y
|
Y

E

Q

I

D

L

L

S

V

W

Q

R

R

V

L

G

E

A

P

W

V

L

I

R

M

S

E

V

L

T

E

R

R

P

Q

-

E

-

N

T

V

V

L

C

V

V

I

S

C

H
|
H

G
x
Q

G

A

V

V

I

L

R
|
R

A

C

L

L

F

L

K

A

L

Y

L

F

G

L

E

D

M

K

D

S

A

A

D

E

E

E

A

M

A

P

A

Y

A

L

A

K

I

C

P

P

Q

L

D

H

R

T

L

V

L

L

K

K

I

L

V

T

D

P

G

V

S

A

I
x
Y

G

G

binding adenosine-5'-diphosphate: Y420 (≠ I191)
binding 6-O-phosphono-beta-D-fructofuranose: I260 (≠ L19), G261 (≠ Q20), E318 (= E89), Y329 (≠ L100), R343 (= R114), K347 (= K118), Y358 (= Y131), Q384 (≠ G155), R388 (= R159)
binding phosphonic acid: R248 (= R7), H249 (= H8), N255 (= N14), H383 (= H154)

Sites not aligning to the query:

binding adenosine-5'-diphosphate: 39, 40, 41, 42, 43, 44, 45, 159, 163, 164, 213
binding 2,6-di-O-phosphono-beta-D-fructofuranose: 67, 70, 83, 121, 122, 128, 185, 189

2dwoA Pfkfb3 in complex with adp and pep (see paper)
27% identity, 98% coverage: 3:192/194 of query aligns to 244:421/449 of 2dwoA

query
sites
2dwoA

I

I

Y

Y

M

L

V

C

R
|
R

H
|
H

G

G

Q

E

T

N

D

E

W

H

N
|
N

A

L

E

Q

S

G

R

R

L
x
I

Q
x
G

G

G

Q

-

K

-

D

D

I

S

P

G

L

L

N

S

E

S

T

R

G

G

R

K

Q

K

Q

F

A

A

T

S

G

-

N

-

G

-

V

-

A

A

L

L

S

S

R

K

I

F

I

V

-

E

G

E

S

Q

G

N

A

L

A

K

D

D

F

L

D

R

F

V

V

W

S

T

S

S

P

Q

L

L

G

K

R
x
S

T

T

R

I

E

Q

T

T

M

A

E

E

R

A

L

L

R

R

R

-

A

-

M

-

D

-

L

-

D

-

P

-

L

L

A

P

Y

Y

R

E

T

Q

D

W

E

K

R

A

L

L

K

N

E
|
E

V

I

S

D

F

A

G

G

D

V

W

C

E

E

G

E

Y

L

T

T

L
x
Y

P

E

E

E

L

I

K

R

R

D

L

T

V

Y

P

P

E

E

R

E

I

Y

A

A

E

L

R
|
R

R

E

V

Q

A

D

K
|
K

W

Y

D

Y

F

Y

I

-

P

-

P

R

G

Y

P

P

D

T

A

G

E

E

S

S

Y
|
Y

E

Q

I

D

L

L

S

V

W

Q

R

R

V

L

G

E

A

P

W

V

L

I

R

M

S

E

V

L

T

E

R

R

P

Q

-

E

-

N

T

V

V

L

C

V

V

I

S

C

H
|
H

G
x
Q

G

A

V

V

I

L

R
|
R

A

C

L

L

F

L

K

A

L

Y

L

F

G

L

E

D

M

K

D

S

A

A

D

E

E

E

A

M

A

P

A

Y

A

L

A

K

I

C

P

P

Q

L

D

H

R

T

L

V

L

L

K

K

I

L

V

T

D

P

G

V

S

A

I
x
Y

G

G

active site: R248 (= R7), H249 (= H8), N255 (= N14), S298 (≠ R62), E318 (= E89), H383 (= H154)
binding adenosine-5'-diphosphate: Y420 (≠ I191)
binding 6-O-phosphono-beta-D-fructofuranose: I260 (≠ L19), G261 (≠ Q20), E318 (= E89), Y329 (≠ L100), R343 (= R114), K347 (= K118), Y358 (= Y131), Q384 (≠ G155), R388 (= R159)

Sites not aligning to the query:

binding adenosine-5'-diphosphate: 39, 40, 41, 42, 43, 44, 45, 148, 159, 162, 163, 164, 239
binding 6-O-phosphono-beta-D-fructofuranose: 436
binding phosphoenolpyruvate: 70, 83, 94, 122, 189

Query Sequence

>SMc00006 FitnessBrowser__Smeli:SMc00006
MLIYMVRHGQTDWNAESRLQGQKDIPLNETGRQQATGNGVALSRIIGSGAADFDFVSSPL
GRTRETMERLRRAMDLDPLAYRTDERLKEVSFGDWEGYTLPELKRLVPERIAERRVAKWD
FIPPGPDAESYEILSWRVGAWLRSVTRPTVCVSHGGVIRALFKLLGEMDADEAAAAAIPQ
DRLLKIVDGSIGWL

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