SitesBLAST

4ij6A Crystal structure of a novel-type phosphoserine phosphatase mutant (h9a) from hydrogenobacter thermophilus tk-6 in complex with l-phosphoserine (see paper)
25% identity, 96% coverage: 1:194/203 of query aligns to 2:195/207 of 4ij6A

query
sites
4ij6A

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active site: R8 (= R7), A9 (≠ H8), N15 (= N14), R58 (= R57), E82 (= E81), H150 (= H149)
binding phosphoserine: R8 (= R7), Q21 (≠ S20), R58 (= R57), E82 (= E81), H85 (≠ F84), H150 (= H149), T151 (≠ Q150)

6m1xC Crystal structure of phosphoserine phosphatase in complex with 3- phosphoglyceric acid from entamoeba histolytica (see paper)
29% identity, 83% coverage: 2:170/203 of query aligns to 3:166/196 of 6m1xC

query
sites
6m1xC

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binding 3-phosphoglyceric acid: R8 (= R7), H9 (= H8), Q21 (≠ S20), R57 (= R57), E79 (= E81), H146 (= H149), G147 (≠ Q150)

1k6mA Crystal structure of human liver 6-phosphofructo-2-kinase/fructose-2, 6-bisphosphatase (see paper)
27% identity, 84% coverage: 3:172/203 of query aligns to 215:377/432 of 1k6mA

query
sites
1k6mA

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active site: R219 (= R7), H220 (= H8), N226 (= N14), R269 (= R57), E289 (= E81), H354 (= H149)

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

6ic0A Human pfkfb3 in complex with a n-aryl 6-aminoquinoxaline inhibitor 4 (see paper)
30% identity, 84% coverage: 3:172/203 of query aligns to 231:393/428 of 6ic0A

query
sites
6ic0A

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binding 6-O-phosphono-beta-D-fructofuranose: G248 (≠ S20), E305 (= E81), Y316 (≠ H92), R330 (≠ W106), K334 (vs. gap), Y345 (≠ F121), Q371 (= Q150), R375 (≠ S154)

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, 404
binding pyrophosphate 2-: 26, 27, 28, 29, 30, 31, 32, 151, 407

6ibxA Human pfkfb3 in complex with a n-aryl 6-aminoquinoxaline inhibitor 5 (see paper)
30% identity, 84% coverage: 3:172/203 of query aligns to 231:393/429 of 6ibxA

query
sites
6ibxA

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binding 6-O-phosphono-beta-D-fructofuranose: G248 (≠ S20), E305 (= E81), Y316 (≠ H92), R330 (≠ W106), K334 (vs. gap), Y345 (≠ F121), Q371 (= Q150), R375 (≠ S154)

Sites not aligning to the query:

binding 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-[(3~{S})-1-methylpiperidin-3-yl]pyridine-4-carboxamide: 28, 32, 33, 135, 137, 142, 146, 149, 150, 197, 224
binding pyrophosphate 2-: 27, 28, 29, 30, 31, 32, 151, 407

2i1vB Crystal structure of pfkfb3 in complex with adp and fructose-2,6- bisphosphate (see paper)
30% identity, 84% coverage: 3:172/203 of query aligns to 244:406/449 of 2i1vB

query
sites
2i1vB

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binding 6-O-phosphono-beta-D-fructofuranose: I260 (≠ Y19), G261 (≠ S20), E318 (= E81), Y329 (≠ H92), R343 (≠ W106), K347 (vs. gap), Y358 (≠ F121), Q384 (= Q150), R388 (≠ S154)
binding phosphonic acid: R248 (= R7), H249 (= H8), N255 (= N14), H383 (= H149)

Sites not aligning to the query:

binding adenosine-5'-diphosphate: 39, 40, 41, 42, 43, 44, 45, 159, 163, 164, 213, 420
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)
30% identity, 84% coverage: 3:172/203 of query aligns to 244:406/449 of 2dwoA

query
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2dwoA

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S

E

Q

L

L

E

K

R
x
S

A

T

Q

I

H

Q

T

T

A

A

R

E

L

A

V

L

L

-

S

-

D

-

R

-

Q

R

L

L

P

P

V

Y

Q

E

I

Q

I

W

P

K

E

A

L

L

N

N

E
|
E

M

I

F

D

F

A

G

G

D

V

W

C

E

E

M

E

R

L

H

T

H
x
Y

R

E

D

E

L

I

M

R

Q

D

E

T

D

Y

A

P

E

E

N

E

Y

Y

S

A

A

L

W
x
R

C

E

N

Q

D

D

-
x
K

W

Y

Q

Y

H

Y

A

R

I

Y

P

P

T

T

N

-

G

G

E

E

G

S

F
x
Y

Q

Q

A

D

F

L

S

V

Q

Q

R

R

V

L

E

E

R

P

F

V

I

I

A

M

R

-

L

-

S

-

E

E

F

L

Q

E

H

R

Y

Q

Q

E

N

N

I

V

L

L

V

V

V

I

S

C

H
|
H

Q
|
Q

G

A

V

V

L

L

S
x
R

L

C

L

L

I

L

A

A

R

Y

L

F

I

L

G

D

M

K

P

S

A

A

E

E

A

E

M

M

W

P

H

Y

F

L

R

K

active site: R248 (= R7), H249 (= H8), N255 (= N14), S298 (≠ R57), E318 (= E81), H383 (= H149)
binding 6-O-phosphono-beta-D-fructofuranose: I260 (≠ Y19), G261 (≠ S20), E318 (= E81), Y329 (≠ H92), R343 (≠ W106), K347 (vs. gap), Y358 (≠ F121), Q384 (= Q150), R388 (≠ S154)

Sites not aligning to the query:

binding adenosine-5'-diphosphate: 39, 40, 41, 42, 43, 44, 45, 148, 159, 162, 163, 164, 239, 420
binding 6-O-phosphono-beta-D-fructofuranose: 436
binding phosphoenolpyruvate: 70, 83, 94, 122, 189

3qpuA Pfkfb3 in complex with ppi (see paper)
30% identity, 84% coverage: 3:172/203 of query aligns to 241:403/439 of 3qpuA

query
sites
3qpuA

L

I

W

Y

L

L

I

C

R
|
R

H
|
H

G

G

E

E

T

N

Q

E

A

H

N
|
N

I

L

D

Q

G

G

L

R

Y

I

S

G

G

G

H

D

A

-

P

-

T

S

P

G

L

L

T

S

A

S

R

R

G

G

I

K

E

K

Q

F

A

A

Q

S

N

A

L

L

H

S

T

K

L

F

L

V

H

E

G

E

V

Q

S

N

F

L

-

K

D

D

L

L

-

R

V

V

L

W

C

T

S

S

E

Q

L

L

E

K

R
x
S

A

T

Q

I

H

Q

T

T

A

A

R

E

L

A

V

L

L

-

S

-

D

-

R

-

Q

R

L

L

P

P

V

Y

Q

E

I

Q

I

W

P

K

E

A

L

L

N

N

E
|
E

M

I

F

D

F

A

G

G

D

V

W

C

E

E

M

E

R

L

H

T

H

Y

R

E

D

E

L

I

M

R

Q

D

E

T

D

Y

A

P

E

E

N

E

Y

Y

S

A

A

L

W

R

C

E

N

Q

D

D

-

K

W

Y

Q

Y

H

Y

A

R

I

Y

P

P

T

T

N

-

G

G

E

E

G

S

F

Y

Q

Q

A

D

F

L

S

V

Q

Q

R

R

V

L

E

E

R

P

F

V

I

I

A

M

R

-

L

-

S

-

E

E

F

L

Q

E

H

R

Y

Q

Q

E

N

N

I

V

L

L

V

V

V

I

S

C

H
|
H

Q
|
Q

G

A

V

V

L

L

S

R

L

C

L

L

I

L

A

A

R

Y

L

F

I

L

G

D

M

K

P

S

A

A

E

E

A

E

M

M

W

P

H

Y

F

L

R

K

active site: R245 (= R7), H246 (= H8), N252 (= N14), S295 (≠ R57), E315 (= E81), H380 (= H149)
binding pyrophosphate 2-: R245 (= R7), H246 (= H8), E315 (= E81), H380 (= H149), Q381 (= Q150)

Sites not aligning to the query:

binding pyrophosphate 2-: 36, 37, 38, 39, 40, 41, 42, 64, 67, 91, 119, 160, 161, 186, 417

2dwpA A pseudo substrate complex of 6-phosphofructo-2-kinase of pfkfb (see paper)
30% identity, 84% coverage: 3:172/203 of query aligns to 234:396/431 of 2dwpA

query
sites
2dwpA

L

I

W

Y

L

L

I

C

R
|
R

H
|
H

G

G

E

E

T

N

Q

E

A

H

N
|
N

I

L

D

Q

G

G

L

R

Y
x
I

S
x
G

G

G

H

D

A

-

P

-

T

S

P

G

L

L

T

S

A

S

R

R

G

G

I

K

E

K

Q

F

A

A

Q

S

N

A

L

L

H

S

T

K

L

F

L

V

H

E

G

E

V

Q

S

N

F

L

-

K

D

D

L

L

-

R

V

V

L

W

C

T

S

S

E

Q

L

L

E

K

R
x
S

A

T

Q

I

H

Q

T

T

A

A

R

E

L

A

V

L

L

-

S

-

D

-

R

-

Q

R

L

L

P

P

V

Y

Q

E

I

Q

I

W

P

K

E

A

L

L

N

N

E
|
E

M

I

F

D

F

A

G

G

D

V

W

C

E

E

M

E

R

L

H

T

H
x
Y

R

E

D

E

L

I

M

R

Q

D

E

T

D

Y

A

P

E

E

N

E

Y

Y

S

A

A

L

W
x
R

C

E

N

Q

D

D

-
x
K

W

Y

Q

Y

H

Y

A

R

I

Y

P

P

T

T

N

-

G

G

E

E

G

S

F
x
Y

Q

Q

A

D

F

L

S

V

Q

Q

R

R

V

L

E

E

R

P

F

V

I

I

A

M

R

-

L

-

S

-

E

E

F

L

Q

E

H

R

Y

Q

Q

E

N

N

I

V

L

L

V

V

V

I

S

C

H
|
H

Q
|
Q

G

A

V

V

L

L

S
x
R

L

C

L

L

I

L

A

A

R

Y

L

F

I

L

G

D

M

K

P

S

A

A

E

E

A

E

M

M

W

P

H

Y

F

L

R

K

active site: R238 (= R7), H239 (= H8), N245 (= N14), S288 (≠ R57), E308 (= E81), H373 (= H149)
binding 6-O-phosphono-beta-D-fructofuranose: I250 (≠ Y19), G251 (≠ S20), E308 (= E81), Y319 (≠ H92), R333 (≠ W106), K337 (vs. gap), Y348 (≠ F121), Q374 (= Q150), R378 (≠ S154)

Sites not aligning to the query:

binding phosphomethylphosphonic acid adenylate ester: 29, 30, 31, 32, 33, 34, 35, 138, 149, 152, 153, 154, 203, 410
binding 6-O-phosphono-beta-D-fructofuranose: 57, 60, 111, 112, 118, 175, 179, 426

6ibyA Human pfkfb3 in complex with a n-aryl 6-aminoquinoxaline inhibitor 6 (see paper)
30% identity, 84% coverage: 3:172/203 of query aligns to 230:392/428 of 6ibyA

query
sites
6ibyA

L

I

W

Y

L

L

I

C

R

R

H

H

G

G

E

E

T

N

Q

E

A

H

N

N

I

L

D

Q

G

G

L

R

Y

I

S
x
G

G

G

H

D

A

-

P

-

T

S

P

G

L

L

T

S

A

S

R

R

G

G

I

K

E

K

Q

F

A

A

Q

S

N

A

L

L

H

S

T

K

L

F

L

V

H

E

G

E

V

Q

S

N

F

L

-

K

D

D

L

L

-

R

V

V

L

W

C

T

S

S

E

Q

L

L

E

K

R

S

A

T

Q

I

H

Q

T

T

A

A

R

E

L

A

V

L

L

-

S

-

D

-

R

-

Q

R

L

L

P

P

V

Y

Q

E

I

Q

I

W

P

K

E

A

L

L

N

N

E
|
E

M

I

F

D

F

A

G

G

D

V

W

C

E

E

M

E

R

L

H

T

H
x
Y

R

E

D

E

L

I

M

R

Q

D

E

T

D

Y

A

P

E

E

N

E

Y

Y

S

A

A

L

W
x
R

C

E

N

Q

D

D

-
x
K

W

Y

Q

Y

H

Y

A

R

I

Y

P

P

T

T

N

-

G

G

E

E

G

S

F
x
Y

Q

Q

A

D

F

L

S

V

Q

Q

R

R

V

L

E

E

R

P

F

V

I

I

A

M

R

-

L

-

S

-

E

E

F

L

Q

E

H

R

Y

Q

Q

E

N

N

I

V

L

L

V

V

V

I

S

C

H

H

Q
|
Q

G

A

V

V

L

L

S
x
R

L

C

L

L

I

L

A

A

R

Y

L

F

I

L

G

D

M

K

P

S

A

A

E

E

A

E

M

M

W

P

H

Y

F

L

R

K

binding 6-O-phosphono-beta-D-fructofuranose: G247 (≠ S20), E304 (= E81), Y315 (≠ H92), R329 (≠ W106), K333 (vs. gap), Y344 (≠ F121), Q370 (= Q150), R374 (≠ S154)

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, 406

6hvjA Human pfkfb3 in complex with a n-aryl 6-aminoquinoxaline inhibitor 3 (see paper)
30% identity, 84% coverage: 3:172/203 of query aligns to 232:394/430 of 6hvjA

query
sites
6hvjA

L

I

W

Y

L

L

I

C

R
|
R

H
|
H

G

G

E

E

T

N

Q

E

A

H

N
|
N

I

L

D

Q

G

G

L

R

Y

I

S
x
G

G

G

H

D

A

-

P

-

T

S

P

G

L

L

T

S

A

S

R

R

G

G

I

K

E

K

Q

F

A

A

Q

S

N

A

L

L

H

S

T

K

L

F

L

V

H

E

G

E

V

Q

S

N

F

L

-

K

D

D

L

L

-

R

V

V

L

W

C

T

S

S

E

Q

L

L

E

K

R
x
S

A

T

Q

I

H

Q

T

T

A

A

R

E

L

A

V

L

L

-

S

-

D

-

R

-

Q

R

L

L

P

P

V

Y

Q

E

I

Q

I

W

P

K

E

A

L

L

N

N

E
|
E

M

I

F

D

F

A

G

G

D

V

W

C

E

E

M

E

R

L

H

T

H
x
Y

R

E

D

E

L

I

M

R

Q

D

E

T

D

Y

A

P

E

E

N

E

Y

Y

S

A

A

L

W
x
R

C

E

N

Q

D

D

-
x
K

W

Y

Q

Y

H

Y

A

R

I

Y

P

P

T

T

N

-

G

G

E

E

G

S

F
x
Y

Q

Q

A

D

F

L

S

V

Q

Q

R

R

V

L

E

E

R

P

F

V

I

I

A

M

R

-

L

-

S

-

E

E

F

L

Q

E

H

R

Y

Q

Q

E

N

N

I

V

L

L

V

V

V

I

S

C

H
|
H

Q
|
Q

G

A

V

V

L

L

S
x
R

L

C

L

L

I

L

A

A

R

Y

L

F

I

L

G

D

M

K

P

S

A

A

E

E

A

E

M

M

W

P

H

Y

F

L

R

K

active site: R236 (= R7), H237 (= H8), N243 (= N14), S286 (≠ R57), E306 (= E81), H371 (= H149)
binding 6-O-phosphono-beta-D-fructofuranose: G249 (≠ S20), E306 (= E81), Y317 (≠ H92), R331 (≠ W106), K335 (vs. gap), Y346 (≠ F121), Q372 (= Q150), R376 (≠ S154)

Sites not aligning to the query:

binding 8-(3-methyl-1-benzofuran-5-yl)-~{N}-(4-methylsulfonylpyridin-3-yl)quinoxalin-6-amine: 29, 33, 34, 136, 138, 143, 147, 151, 198, 225, 407
binding phosphate ion: 28, 29, 30, 31, 32, 152

5ajzA Human pfkfb3 in complex with an indole inhibitor 5 (see paper)
30% identity, 84% coverage: 3:172/203 of query aligns to 243:405/440 of 5ajzA

query
sites
5ajzA

L

I

W

Y

L

L

I

C

R
|
R

H
|
H

G

G

E

E

T

N

Q

E

A

H

N
|
N

I

L

D

Q

G

G

L

R

Y

I

S
x
G

G

G

H

D

A

-

P

-

T

S

P

G

L

L

T

S

A

S

R

R

G

G

I

K

E

K

Q

F

A

A

Q

S

N

A

L

L

H

S

T

K

L

F

L

V

H

E

G

E

V

Q

S

N

F

L

-

K

D

D

L

L

-

R

V

V

L

W

C

T

S

S

E

Q

L

L

E

K

R
x
S

A

T

Q

I

H

Q

T

T

A

A

R

E

L

A

V

L

L

-

S

-

D

-

R

-

Q

R

L

L

P

P

V

Y

Q

E

I

Q

I

W

P

K

E

A

L

L

N

N

E
|
E

M

I

F

D

F

A

G

G

D

V

W

C

E

E

M

E

R

L

H

T

H
x
Y

R

E

D

E

L

I

M

R

Q

D

E

T

D

Y

A

P

E

E

N

E

Y

Y

S

A

A

L

W
x
R

C

E

N

Q

D

D

-
x
K

W

Y

Q

Y

H

Y

A

R

I

Y

P

P

T

T

N

-

G

G

E

E

G

S

F
x
Y

Q

Q

A

D

F

L

S

V

Q

Q

R

R

V

L

E

E

R

P

F

V

I

I

A

M

R

-

L

-

S

-

E

E

F

L

Q

E

H

R

Y

Q

Q

E

N

N

I

V

L

L

V

V

V

I

S

C

H
|
H

Q
|
Q

G

A

V

V

L

L

S
x
R

L

C

L

L

I

L

A

A

R

Y

L

F

I

L

G

D

M

K

P

S

A

A

E

E

A

E

M

M

W

P

H

Y

F

L

R

K

active site: R247 (= R7), H248 (= H8), N254 (= N14), S297 (≠ R57), E317 (= E81), H382 (= H149)
binding 6-O-phosphono-beta-D-fructofuranose: G260 (≠ S20), E317 (= E81), Y328 (≠ H92), R342 (≠ W106), K346 (vs. gap), Y357 (≠ F121), Q383 (= Q150), R387 (≠ S154)
binding phosphonic acid: R247 (= R7), H248 (= H8), N254 (= N14), H382 (= H149), Q383 (= Q150)

Sites not aligning to the query:

binding 2-azanyl-N-[4-[(3-cyano-1H-indol-5-yl)oxy]phenyl]ethanamide: 40, 41, 44, 45, 154, 158, 212, 213, 233, 236, 238

2axnA Crystal structure of the human inducible form 6-phosphofructo-2- kinase/fructose-2,6-bisphosphatase (see paper)
30% identity, 84% coverage: 3:172/203 of query aligns to 244:406/451 of 2axnA

query
sites
2axnA

L

I

W

Y

L

L

I

C

R
|
R

H
|
H

G

G

E

E

T

N

Q

E

A

H

N
|
N

I

L

D

Q

G

G

L

R

Y
x
I

S
x
G

G

G

H

D

A

-

P

-

T

S

P

G

L

L

T

S

A

S

R

R

G

G

I

K

E

K

Q

F

A

A

Q

S

N

A

L

L

H

S

T

K

L

F

L

V

H

E

G

E

V

Q

S

N

F

L

-

K

D

D

L

L

-

R

V

V

L

W

C

T

S

S

E

Q

L

L

E

K

R
x
S

A

T

Q

I

H

Q

T

T

A

A

R

E

L

A

V

L

L

-

S

-

D

-

R

-

Q

R

L

L

P

P

V

Y

Q

E

I

Q

I

W

P

K

E

A

L

L

N

N

E
|
E

M

I

F

D

F

A

G

G

D

V

W

C

E

E

M

E

R

L

H

T

H
x
Y

R

E

D

E

L

I

M

R

Q

D

E

T

D

Y

A

P

E

E

N

E

Y

Y

S

A

A

L

W
x
R

C

E

N

Q

D

D

-
x
K

W

Y

Q

Y

H

Y

A

R

I

Y

P

P

T

T

N

-

G

G

E

E

G

S

F
x
Y

Q

Q

A

D

F

L

S

V

Q

Q

R

R

V

L

E

E

R

P

F

V

I

I

A

M

R

-

L

-

S

-

E

E

F

L

Q

E

H

R

Y

Q

Q

E

N

N

I

V

L

L

V

V

V

I

S

C

H
|
H

Q
|
Q

G

A

V

V

L

L

S
x
R

L

C

L

L

I

L

A

A

R

Y

L

F

I

L

G

D

M

K

P

S

A

A

E

E

A

E

M

M

W

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F

L

R

K

active site: R248 (= R7), H249 (= H8), N255 (= N14), S298 (≠ R57), E318 (= E81), H383 (= H149)
binding 6-O-phosphono-beta-D-fructofuranose: I260 (≠ Y19), G261 (≠ S20), E318 (= E81), Y329 (≠ H92), R343 (≠ W106), K347 (vs. gap), Y358 (≠ F121), Q384 (= Q150), R388 (≠ S154)

Sites not aligning to the query:

binding adenosine-5'-diphosphate: 39, 40, 41, 42, 43, 44, 45, 148, 159, 162, 163, 164, 420
binding {[-(bis-carboxymethyl-amino)-ethyl]-carboxymethyl-amino}-acetic acid: 39, 43, 65, 67, 70, 71, 83, 121, 122, 189
binding 6-O-phosphono-beta-D-fructofuranose: 436

4ma4A S-glutathionylated pfkfb3 (see paper)
30% identity, 84% coverage: 3:172/203 of query aligns to 239:401/444 of 4ma4A

query
sites
4ma4A

L

I

W

Y

L

L

I

C

R
|
R

H
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H

G

G

E

E

T

N

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H

N
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N

I

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G

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x
G

G

G

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-

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R

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G

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N

A

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L

-

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V

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x
S

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Q

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A

R

E

L

A

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D

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-

Q

R

L

L

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P

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A

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E

M

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F

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F

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G

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C

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M

E

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L

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H
x
Y

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T

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P

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E

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E

Y

Y

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A

A

L

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R

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N

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D

D

-
x
K

W

Y

Q

Y

H

Y

A

R

I

Y

P

P

T

T

N

-

G

G

E

E

G

S

F
x
Y

Q

Q

A

D

F

L

S

V

Q

Q

R

R

V

L

E

E

R

P

F

V

I

I

A

M

R

-

L

-

S

-

E

E

F

L

Q

E

H

R

Y

Q

Q

E

N

N

I

V

L

L

V

V

V

I

S

C

H
|
H

Q
|
Q

G

A

V

V

L

L

S
x
R

L

C

L

L

I

L

A

A

R

Y

L

F

I

L

G

D

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K

P

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A

A

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E

A

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M

M

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F

L

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K

active site: R243 (= R7), H244 (= H8), N250 (= N14), S293 (≠ R57), E313 (= E81), H378 (= H149)
binding 6-O-phosphono-beta-D-fructofuranose: G256 (≠ S20), E313 (= E81), Y324 (≠ H92), R338 (≠ W106), K342 (vs. gap), Y353 (≠ F121), Q379 (= Q150), R383 (≠ S154)

Sites not aligning to the query:

binding adenosine-5'-diphosphate: 35, 36, 37, 38, 39, 40, 143, 154, 158, 159, 415
binding glutathione: 121, 195, 196

6hviA Human pfkfb3 in complex with a n-aryl 6-aminoquinoxaline inhibitor 2 (see paper)
30% identity, 84% coverage: 3:172/203 of query aligns to 235:397/433 of 6hviA

query
sites
6hviA

L

I

W

Y

L

L

I

C

R
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R

H
|
H

G

G

E

E

T

N

Q

E

A

H

N
|
N

I

L

D

Q

G

G

L

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I

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x
G

G

G

H

D

A

-

P

-

T

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P

G

L

L

T

S

A

S

R

R

G

G

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K

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F

A

A

Q

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N

A

L

L

H

S

T

K

L

F

L

V

H

E

G

E

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Q

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N

F

L

-

K

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D

L

L

-

R

V

V

L

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L

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x
S

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H

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L

L

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S

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D

-

R

-

Q

R

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F

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x
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E

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x
R

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D

-
x
K

W

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Y

H

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A

R

I

Y

P

P

T

T

N

-

G

G

E

E

G

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x
Y

Q

Q

A

D

F

L

S

V

Q

Q

R

R

V

L

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R

P

F

V

I

I

A

M

R

-

L

-

S

-

E

E

F

L

Q

E

H

R

Y

Q

Q

E

N

N

I

V

L

L

V

V

V

I

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H

Q
|
Q

G

A

V

V

L

L

S
x
R

L

C

L

L

I

L

A

A

R

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L

F

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L

G

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active site: R239 (= R7), H240 (= H8), N246 (= N14), S289 (≠ R57), E309 (= E81), H374 (= H149)
binding 6-O-phosphono-beta-D-fructofuranose: G252 (≠ S20), E309 (= E81), Y320 (≠ H92), R334 (≠ W106), K338 (vs. gap), Y349 (≠ F121), Q375 (= Q150), R379 (≠ S154)

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, 411

5ak0A Human pfkfb3 in complex with an indole inhibitor 6 (see paper)
30% identity, 84% coverage: 3:172/203 of query aligns to 245:407/442 of 5ak0A

query
sites
5ak0A

L

I

W

Y

L

L

I

C

R
|
R

H
|
H

G

G

E

E

T

N

Q

E

A

H

N
|
N

I

L

D

Q

G

G

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x
G

G

G

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D

A

-

P

-

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G

L

L

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S

A

S

R

R

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G

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K

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F

A

A

Q

S

N

A

L

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F

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D

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S

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T

A

A

R

E

L

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L

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P

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K

E

A

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L

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E
|
E

M

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F

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G

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C

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M

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x
Y

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T

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Y

A

P

E

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E

Y

Y

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A

A

L

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x
R

C

E

N

Q

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D

-
x
K

W

Y

Q

Y

H

Y

A

R

I

Y

P

P

T

T

N

-

G

G

E

E

G

S

F
x
Y

Q

Q

A

D

F

L

S

V

Q

Q

R

R

V

L

E

E

R

P

F

V

I

I

A

M

R

-

L

-

S

-

E

E

F

L

Q

E

H

R

Y

Q

Q

E

N

N

I

V

L

L

V

V

V

I

S

C

H
|
H

Q
|
Q

G

A

V

V

L

L

S
x
R

L

C

L

L

I

L

A

A

R

Y

L

F

I

L

G

D

M

K

P

S

A

A

E

E

A

E

M

M

W

P

H

Y

F

L

R

K

active site: R249 (= R7), H250 (= H8), N256 (= N14), S299 (≠ R57), E319 (= E81), H384 (= H149)
binding 6-O-phosphono-beta-D-fructofuranose: G262 (≠ S20), E319 (= E81), Y330 (≠ H92), R344 (≠ W106), K348 (vs. gap), Y359 (≠ F121), Q385 (= Q150), R389 (≠ S154)
binding phosphonic acid: R249 (= R7), H250 (= H8), H384 (= H149), Q385 (= Q150)

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
30% identity, 84% coverage: 3:172/203 of query aligns to 245:407/442 of 4d4lA

query
sites
4d4lA

L

I

W

Y

L

L

I

C

R
|
R

H
|
H

G

G

E

E

T

N

Q

E

A

H

N
|
N

I

L

D

Q

G

G

L

R

Y
x
I

S
x
G

G

G

H

D

A

-

P

-

T

S

P

G

L

L

T

S

A

S

R

R

G

G

I

K

E

K

Q

F

A

A

Q

S

N

A

L

L

H

S

T

K

L

F

L

V

H

E

G

E

V

Q

S

N

F

L

-

K

D

D

L

L

-

R

V

V

L

W

C

T

S

S

E

Q

L

L

E

K

R
x
S

A

T

Q

I

H

Q

T

T

A

A

R

E

L

A

V

L

L

-

S

-

D

-

R

-

Q

R

L

L

P

P

V

Y

Q

E

I

Q

I

W

P

K

E

A

L

L

N

N

E
|
E

M

I

F

D

F

A

G

G

D

V

W

C

E

E

M

E

R

L

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H
x
Y

R

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D

E

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D

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T

D

Y

A

P

E

E

N

E

Y

Y

S

A

A

L

W
x
R

C

E

N

Q

D

D

-
x
K

W

Y

Q

Y

H

Y

A

R

I

Y

P

P

T

T

N

-

G

G

E

E

G

S

F
x
Y

Q

Q

A

D

F

L

S

V

Q

Q

R

R

V

L

E

E

R

P

F

V

I

I

A

M

R

-

L

-

S

-

E

E

F

L

Q

E

H

R

Y

Q

Q

E

N

N

I

V

L

L

V

V

V

I

S

C

H
|
H

Q
|
Q

G

A

V

V

L

L

S
x
R

L

C

L

L

I

L

A

A

R

Y

L

F

I

L

G

D

M

K

P

S

A

A

E

E

A

E

M

M

W

P

H

Y

F

L

R

K

active site: R249 (= R7), H250 (= H8), N256 (= N14), S299 (≠ R57), E319 (= E81), H384 (= H149)
binding 6-O-phosphono-beta-D-fructofuranose: I261 (≠ Y19), G262 (≠ S20), E319 (= E81), Y330 (≠ H92), R344 (≠ W106), K348 (vs. gap), Y359 (≠ F121), Q385 (= Q150), R389 (≠ S154)
binding phosphonic acid: R249 (= R7), H250 (= H8), N256 (= N14), H384 (= H149), Q385 (= Q150)

Sites not aligning to the query:

4d4jA Human pfkfb3 in complex with a pyrrolopyrimidone compound
30% identity, 84% coverage: 3:172/203 of query aligns to 245:407/442 of 4d4jA

query
sites
4d4jA

L

I

W

Y

L

L

I

C

R
|
R

H
|
H

G

G

E

E

T

N

Q

E

A

H

N
|
N

I

L

D

Q

G

G

L

R

Y
x
I

S
x
G

G

G

H

D

A

-

P

-

T

S

P

G

L

L

T

S

A

S

R

R

G

G

I

K

E

K

Q

F

A

A

Q

S

N

A

L

L

H

S

T

K

L

F

L

V

H

E

G

E

V

Q

S

N

F

L

-

K

D

D

L

L

-

R

V

V

L

W

C

T

S

S

E

Q

L

L

E

K

R
x
S

A

T

Q

I

H

Q

T

T

A

A

R

E

L

A

V

L

L

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S

-

D

-

R

-

Q

R

L

L

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P

V

Y

Q

E

I

Q

I

W

P

K

E

A

L

L

N

N

E
|
E

M

I

F

D

F

A

G

G

D

V

W

C

E

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M

E

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L

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H
x
Y

R

E

D

E

L

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M

R

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D

E

T

D

Y

A

P

E

E

N

E

Y

Y

S

A

A

L

W
x
R

C

E

N

Q

D

D

-
x
K

W

Y

Q

Y

H

Y

A

R

I

Y

P

P

T

T

N

-

G

G

E

E

G

S

F
x
Y

Q

Q

A

D

F

L

S

V

Q

Q

R

R

V

L

E

E

R

P

F

V

I

I

A

M

R

-

L

-

S

-

E

E

F

L

Q

E

H

R

Y

Q

Q

E

N

N

I

V

L

L

V

V

V

I

S

C

H
|
H

Q
|
Q

G

A

V

V

L

L

S
x
R

L

C

L

L

I

L

A

A

R

Y

L

F

I

L

G

D

M

K

P

S

A

A

E

E

A

E

M

M

W

P

H

Y

F

L

R

K

active site: R249 (= R7), H250 (= H8), N256 (= N14), S299 (≠ R57), E319 (= E81), H384 (= H149)
binding 6-O-phosphono-beta-D-fructofuranose: I261 (≠ Y19), G262 (≠ S20), E319 (= E81), Y330 (≠ H92), R344 (≠ W106), K348 (vs. gap), Y359 (≠ F121), Q385 (= Q150), R389 (≠ S154)
binding phosphonic acid: R249 (= R7), H250 (= H8), E319 (= E81), H384 (= H149), Q385 (= Q150)

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

Query Sequence

>14775 FitnessBrowser__Keio:14775
MRLWLIRHGETQANIDGLYSGHAPTPLTARGIEQAQNLHTLLHGVSFDLVLCSELERAQH
TARLVLSDRQLPVQIIPELNEMFFGDWEMRHHRDLMQEDAENYSAWCNDWQHAIPTNGEG
FQAFSQRVERFIARLSEFQHYQNILVVSHQGVLSLLIARLIGMPAEAMWHFRVDQGCWSA
IDINQKFATLRVLNSRAIGVENA

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