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)
38% identity, 69% coverage: 5:139/196 of query aligns to 4:130/223 of P9WIC7

query
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P9WIC7

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R10 (= R11) mutation to A: Loss of phosphatase activity.
H11 (= H12) active site, Tele-phosphohistidine intermediate; mutation to A: Almost completely abolished phosphatase activity.
N17 (= N18) mutation to A: About 5% of wild-type phosphatase activity.
K47 (≠ E52) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)
R60 (= R65) 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.

4pzaB The complex structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase rv2419c with inorganic phosphate (see paper)
38% identity, 69% coverage: 5:139/196 of query aligns to 3:129/217 of 4pzaB

query
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4pzaB

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active site: H10 (= H12), R59 (= R65), E83 (= E92)
binding phosphate ion: R9 (= R11), H10 (= H12), R59 (= R65), E83 (= E92)

Sites not aligning to the query:

binding phosphate ion: 158, 159

4qihA The structure of mycobacterial glucosyl-3-phosphoglycerate phosphatase rv2419c complexes with vo3 (see paper)
38% identity, 69% coverage: 5:139/196 of query aligns to 2:128/209 of 4qihA

query
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4qihA

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active site: H9 (= H12), R58 (= R65), E82 (= E92)
binding vanadate ion: R8 (= R11), H9 (= H12), Q21 (= Q24), R58 (= R65)

Sites not aligning to the query:

binding vanadate ion: 157

5htkA Human heart 6-phosphofructo-2-kinase/fructose-2,6-bisphosphatase (pfkfb2) (see paper)
27% identity, 97% coverage: 5:195/196 of query aligns to 220:401/425 of 5htkA

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5htkA

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active site: R226 (= R11), H227 (= H12), N233 (= N18), R276 (= R65), E296 (= E92), H361 (= H155)
binding adenosine-5'-triphosphate: A397 (= A191), Y398 (≠ F192)
binding 6-O-phosphono-beta-D-fructofuranose: H227 (= H12), I238 (≠ L23), G239 (≠ Q24), E296 (= E92), Y307 (≠ W103), R321 (= R117), K325 (≠ P121), Y336 (= Y132), Q362 (≠ G156), R366 (= R160)

Sites not aligning to the query:

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

1k6mA Crystal structure of human liver 6-phosphofructo-2-kinase/fructose-2, 6-bisphosphatase (see paper)
30% identity, 81% coverage: 5:163/196 of query aligns to 213:362/432 of 1k6mA

query
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1k6mA

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active site: R219 (= R11), H220 (= H12), N226 (= N18), R269 (= R65), E289 (= E92), H354 (= H155)

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

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)
27% identity, 97% coverage: 5:195/196 of query aligns to 250:431/505 of O60825

query
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O60825

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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

6ic0A Human pfkfb3 in complex with a n-aryl 6-aminoquinoxaline inhibitor 4 (see paper)
30% identity, 81% coverage: 5:163/196 of query aligns to 229:378/428 of 6ic0A

query
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binding 6-O-phosphono-beta-D-fructofuranose: G248 (≠ Q24), E305 (= E92), Y316 (≠ W103), R330 (= R117), K334 (≠ P121), Y345 (= Y132), Q371 (≠ G156), R375 (= R160)

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, 81% coverage: 5:163/196 of query aligns to 229:378/429 of 6ibxA

query
sites
6ibxA

R

R

R

T

L

I

F

Y

L

L

V

C

R

R

H

H

G

G

E

E

T

N

D

E

W

H

N

N

V

L

A

Q

G

G

R

R

L

I

Q
x
G

G

G

R

-

D

D

I

S

P

G

L

L

N

S

S

S

L

R

G

G

R

K

A

K

Q

F

A

A

A

S

R

A

V

L

G

S

R

K

V

F

L

V

P

E

Q

E

L

-

A

-

G

Q

E

N

A

L

S

K

G

D

L

L

H

R

F

V

V

W

S

T

S

S

P

Q

L

L

G

K

R

S

A

T

L

I

E

Q

T

T

M

A

R

E

I

A

L

L

R

R

T

-

M

-

N

-

L

L

P

P

A

Y

S

E

D

Q

F

W

A

K

H

-

D

-

P

-

Q

A

L

L

A

N

E
|
E

L

I

S

D

F

A

G

G

Q

V

W

C

E

E

G

E

M

L

T

T

W
x
Y

P

E

E

E

I

I

R

R

R

D

R

T

D

Y

T

P

E

E

G

E

V

Y

R

A

T

L

R
|
R

E

E

R

Q

D

D

P
x
K

W

Y

S

Y

F

Y

V

R

P

Y

P

P

E

T

G

G

E

E

S

S

Y
|
Y

A

Q

G

D

L

L

A

V

H

Q

R

R

A

L

G

E

A

P

A

V

I

I

D

M

R

E

I

L

-

E

-

R

K

Q

G

E

D

N

G

V

V

L

V

V

V

I

T

C

H

H

G
x
Q

G

A

V

V

I

L

R
|
R

A

C

L

L

binding 6-O-phosphono-beta-D-fructofuranose: G248 (≠ Q24), E305 (= E92), Y316 (≠ W103), R330 (= R117), K334 (≠ P121), Y345 (= Y132), Q371 (≠ G156), R375 (= R160)

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

6hvjA Human pfkfb3 in complex with a n-aryl 6-aminoquinoxaline inhibitor 3 (see paper)
30% identity, 81% coverage: 5:163/196 of query aligns to 230:379/430 of 6hvjA

query
sites
6hvjA

R

R

R

T

L

I

F

Y

L

L

V

C

R
|
R

H
|
H

G

G

E

E

T

N

D

E

W

H

N
|
N

V

L

A

Q

G

G

R

R

L

I

Q
x
G

G

G

R

-

D

D

I

S

P

G

L

L

N

S

S

S

L

R

G

G

R

K

A

K

Q

F

A

A

A

S

R

A

V

L

G

S

R

K

V

F

L

V

P

E

Q

E

L

-

A

-

G

Q

E

N

A

L

S

K

G

D

L

L

H

R

F

V

V

W

S

T

S

S

P

Q

L

L

G

K

R
x
S

A

T

L

I

E

Q

T

T

M

A

R

E

I

A

L

L

R

R

T

-

M

-

N

-

L

L

P

P

A

Y

S

E

D

Q

F

W

A

K

H

-

D

-

P

-

Q

A

L

L

A

N

E
|
E

L

I

S

D

F

A

G

G

Q

V

W

C

E

E

G

E

M

L

T

T

W
x
Y

P

E

E

E

I

I

R

R

R

D

R

T

D

Y

T

P

E

E

G

E

V

Y

R

A

T

L

R
|
R

E

E

R

Q

D

D

P
x
K

W

Y

S

Y

F

Y

V

R

P

Y

P

P

E

T

G

G

E

E

S

S

Y
|
Y

A

Q

G

D

L

L

A

V

H

Q

R

R

A

L

G

E

A

P

A

V

I

I

D

M

R

E

I

L

-

E

-

R

K

Q

G

E

D

N

G

V

V

L

V

V

V

I

T

C

H
|
H

G
x
Q

G

A

V

V

I

L

R
|
R

A

C

L

L

active site: R236 (= R11), H237 (= H12), N243 (= N18), S286 (≠ R65), E306 (= E92), H371 (= H155)
binding 6-O-phosphono-beta-D-fructofuranose: G249 (≠ Q24), E306 (= E92), Y317 (≠ W103), R331 (= R117), K335 (≠ P121), Y346 (= Y132), Q372 (≠ G156), R376 (= R160)

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

6ibzA Human pfkfb3 in complex with a n-aryl 6-aminoquinoxaline inhibitor 7 (see paper)
30% identity, 81% coverage: 5:163/196 of query aligns to 231:380/431 of 6ibzA

query
sites
6ibzA

R

R

R

T

L

I

F

Y

L

L

V

C

R

R

H

H

G

G

E

E

T

N

D

E

W

H

N

N

V

L

A

Q

G

G

R

R

L

I

Q
x
G

G

G

R

-

D

D

I

S

P

G

L

L

N

S

S

S

L

R

G

G

R

K

A

K

Q

F

A

A

A

S

R

A

V

L

G

S

R

K

V

F

L

V

P

E

Q

E

L

-

A

-

G

Q

E

N

A

L

S

K

G

D

L

L

H

R

F

V

V

W

S

T

S

S

P

Q

L

L

G

K

R

S

A

T

L

I

E

Q

T

T

M

A

R

E

I

A

L

L

R

R

T

-

M

-

N

-

L

L

P

P

A

Y

S

E

D

Q

F

W

A

K

H

-

D

-

P

-

Q

A

L

L

A

N

E
|
E

L

I

S

D

F

A

G

G

Q

V

W

C

E

E

G

E

M

L

T

T

W
x
Y

P

E

E

E

I

I

R

R

R

D

R

T

D

Y

T

P

E

E

G

E

V

Y

R

A

T

L

R
|
R

E

E

R

Q

D

D

P
x
K

W

Y

S

Y

F

Y

V

R

P

Y

P

P

E

T

G

G

E

E

S

S

Y
|
Y

A

Q

G

D

L

L

A

V

H

Q

R

R

A

L

G

E

A

P

A

V

I

I

D

M

R

E

I

L

-

E

-

R

K

Q

G

E

D

N

G

V

V

L

V

V

V

I

T

C

H

H

G
x
Q

G

A

V

V

I

L

R
|
R

A

C

L

L

binding 6-O-phosphono-beta-D-fructofuranose: G250 (≠ Q24), E307 (= E92), Y318 (≠ W103), R332 (= R117), K336 (≠ P121), Y347 (= Y132), Q373 (≠ G156), R377 (= R160)

Sites not aligning to the query:

binding 2-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(pyrimidin-5-ylmethyl)benzenesulfonamide: 30, 34, 35, 137, 139, 144, 148, 152, 199, 202, 226, 228
binding phosphate ion: 28, 29, 30, 31, 32, 33, 153

6hvhA Human pfkfb3 in complex with a n-aryl 6-aminoquinoxaline inhibitor 1 (see paper)
30% identity, 81% coverage: 5:163/196 of query aligns to 231:380/431 of 6hvhA

query
sites
6hvhA

R

R

R

T

L

I

F

Y

L

L

V

C

R
|
R

H
|
H

G

G

E

E

T

N

D

E

W

H

N
|
N

V

L

A

Q

G

G

R

R

L
x
I

Q
x
G

G

G

R

-

D

D

I

S

P

G

L

L

N

S

S

S

L

R

G

G

R

K

A

K

Q

F

A

A

A

S

R

A

V

L

G

S

R

K

V

F

L

V

P

E

Q

E

L

-

A

-

G

Q

E

N

A

L

S

K

G

D

L

L

H

R

F

V

V

W

S

T

S

S

P

Q

L

L

G

K

R
x
S

A

T

L

I

E

Q

T

T

M

A

R

E

I

A

L

L

R

R

T

-

M

-

N

-

L

L

P

P

A

Y

S

E

D

Q

F

W

A

K

H

-

D

-

P

-

Q

A

L

L

A

N

E
|
E

L

I

S

D

F

A

G

G

Q

V

W

C

E

E

G

E

M

L

T

T

W
x
Y

P

E

E

E

I

I

R

R

R

D

R

T

D

Y

T

P

E

E

G

E

V

Y

R

A

T

L

R
|
R

E

E

R

Q

D

D

P
x
K

W

Y

S

Y

F

Y

V

R

P

Y

P

P

E

T

G

G

E

E

S

S

Y
|
Y

A

Q

G

D

L

L

A

V

H

Q

R

R

A

L

G

E

A

P

A

V

I

I

D

M

R

E

I

L

-

E

-

R

K

Q

G

E

D

N

G

V

V

L

V

V

V

I

T

C

H
|
H

G
x
Q

G

A

V

V

I

L

R
|
R

A

C

L

L

active site: R237 (= R11), H238 (= H12), N244 (= N18), S287 (≠ R65), E307 (= E92), H372 (= H155)
binding 6-O-phosphono-beta-D-fructofuranose: I249 (≠ L23), G250 (≠ Q24), E307 (= E92), Y318 (≠ W103), R332 (= R117), K336 (≠ P121), Y347 (= Y132), Q373 (≠ G156), R377 (= R160)

Sites not aligning to the query:

binding 3-[[8-(1-methylindol-6-yl)quinoxalin-6-yl]amino]-~{N}-(oxan-4-yl)pyridine-4-carboxamide: 30, 34, 35, 137, 139, 144, 148, 151, 152, 199, 202, 226, 228
binding pyrophosphate 2-: 29, 30, 31, 32, 33, 34, 153, 409

6ibyA Human pfkfb3 in complex with a n-aryl 6-aminoquinoxaline inhibitor 6 (see paper)
30% identity, 81% coverage: 5:163/196 of query aligns to 228:377/428 of 6ibyA

query
sites
6ibyA

R

R

R

T

L

I

F

Y

L

L

V

C

R

R

H

H

G

G

E

E

T

N

D

E

W

H

N

N

V

L

A

Q

G

G

R

R

L

I

Q
x
G

G

G

R

-

D

D

I

S

P

G

L

L

N

S

S

S

L

R

G

G

R

K

A

K

Q

F

A

A

A

S

R

A

V

L

G

S

R

K

V

F

L

V

P

E

Q

E

L

-

A

-

G

Q

E

N

A

L

S

K

G

D

L

L

H

R

F

V

V

W

S

T

S

S

P

Q

L

L

G

K

R

S

A

T

L

I

E

Q

T

T

M

A

R

E

I

A

L

L

R

R

T

-

M

-

N

-

L

L

P

P

A

Y

S

E

D

Q

F

W

A

K

H

-

D

-

P

-

Q

A

L

L

A

N

E
|
E

L

I

S

D

F

A

G

G

Q

V

W

C

E

E

G

E

M

L

T

T

W
x
Y

P

E

E

E

I

I

R

R

R

D

R

T

D

Y

T

P

E

E

G

E

V

Y

R

A

T

L

R
|
R

E

E

R

Q

D

D

P
x
K

W

Y

S

Y

F

Y

V

R

P

Y

P

P

E

T

G

G

E

E

S

S

Y
|
Y

A

Q

G

D

L

L

A

V

H

Q

R

R

A

L

G

E

A

P

A

V

I

I

D

M

R

E

I

L

-

E

-

R

K

Q

G

E

D

N

G

V

V

L

V

V

V

I

T

C

H

H

G
x
Q

G

A

V

V

I

L

R
|
R

A

C

L

L

binding 6-O-phosphono-beta-D-fructofuranose: G247 (≠ Q24), E304 (= E92), Y315 (≠ W103), R329 (= R117), K333 (≠ P121), Y344 (= Y132), Q370 (≠ G156), R374 (= R160)

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

3qpuA Pfkfb3 in complex with ppi (see paper)
30% identity, 81% coverage: 5:163/196 of query aligns to 239:388/439 of 3qpuA

query
sites
3qpuA

R

R

R

T

L

I

F

Y

L

L

V

C

R
|
R

H
|
H

G

G

E

E

T

N

D

E

W

H

N
|
N

V

L

A

Q

G

G

R

R

L

I

Q

G

G

G

R

-

D

D

I

S

P

G

L

L

N

S

S

S

L

R

G

G

R

K

A

K

Q

F

A

A

A

S

R

A

V

L

G

S

R

K

V

F

L

V

P

E

Q

E

L

-

A

-

G

Q

E

N

A

L

S

K

G

D

L

L

H

R

F

V

V

W

S

T

S

S

P

Q

L

L

G

K

R
x
S

A

T

L

I

E

Q

T

T

M

A

R

E

I

A

L

L

R

R

T

-

M

-

N

-

L

L

P

P

A

Y

S

E

D

Q

F

W

A

K

H

-

D

-

P

-

Q

A

L

L

A

N

E
|
E

L

I

S

D

F

A

G

G

Q

V

W

C

E

E

G

E

M

L

T

T

W

Y

P

E

E

E

I

I

R

R

R

D

R

T

D

Y

T

P

E

E

G

E

V

Y

R

A

T

L

R

R

E

E

R

Q

D

D

P

K

W

Y

S

Y

F

Y

V

R

P

Y

P

P

E

T

G

G

E

E

S

S

Y

Y

A

Q

G

D

L

L

A

V

H

Q

R

R

A

L

G

E

A

P

A

V

I

I

D

M

R

E

I

L

-

E

-

R

K

Q

G

E

D

N

G

V

V

L

V

V

V

I

T

C

H
|
H

G
x
Q

G

A

V

V

I

L

R

R

A

C

L

L

active site: R245 (= R11), H246 (= H12), N252 (= N18), S295 (≠ R65), E315 (= E92), H380 (= H155)
binding pyrophosphate 2-: R245 (= R11), H246 (= H12), E315 (= E92), H380 (= H155), Q381 (≠ G156)

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, 81% coverage: 5:163/196 of query aligns to 232:381/431 of 2dwpA

query
sites
2dwpA

R

R

R

T

L

I

F

Y

L

L

V

C

R
|
R

H
|
H

G

G

E

E

T

N

D

E

W

H

N
|
N

V

L

A

Q

G

G

R

R

L
x
I

Q
x
G

G

G

R

-

D

D

I

S

P

G

L

L

N

S

S

S

L

R

G

G

R

K

A

K

Q

F

A

A

A

S

R

A

V

L

G

S

R

K

V

F

L

V

P

E

Q

E

L

-

A

-

G

Q

E

N

A

L

S

K

G

D

L

L

H

R

F

V

V

W

S

T

S

S

P

Q

L

L

G

K

R
x
S

A

T

L

I

E

Q

T

T

M

A

R

E

I

A

L

L

R

R

T

-

M

-

N

-

L

L

P

P

A

Y

S

E

D

Q

F

W

A

K

H

-

D

-

P

-

Q

A

L

L

A

N

E
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E

L

I

S

D

F

A

G

G

Q

V

W

C

E

E

G

E

M

L

T

T

W
x
Y

P

E

E

E

I

I

R

R

R

D

R

T

D

Y

T

P

E

E

G

E

V

Y

R

A

T

L

R
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R

E

E

R

Q

D

D

P
x
K

W

Y

S

Y

F

Y

V

R

P

Y

P

P

E

T

G

G

E

E

S

S

Y
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Y

A

Q

G

D

L

L

A

V

H

Q

R

R

A

L

G

E

A

P

A

V

I

I

D

M

R

E

I

L

-

E

-

R

K

Q

G

E

D

N

G

V

V

L

V

V

V

I

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H

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x
Q

G

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R

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L

active site: R238 (= R11), H239 (= H12), N245 (= N18), S288 (≠ R65), E308 (= E92), H373 (= H155)
binding 6-O-phosphono-beta-D-fructofuranose: I250 (≠ L23), G251 (≠ Q24), E308 (= E92), Y319 (≠ W103), R333 (= R117), K337 (≠ P121), Y348 (= Y132), Q374 (≠ G156), R378 (= R160)

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

6hviA Human pfkfb3 in complex with a n-aryl 6-aminoquinoxaline inhibitor 2 (see paper)
30% identity, 81% coverage: 5:163/196 of query aligns to 233:382/433 of 6hviA

query
sites
6hviA

R

R

R

T

L

I

F

Y

L

L

V

C

R
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R

H
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H

G

G

E

E

T

N

D

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W

H

N
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N

V

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A

Q

G

G

R

R

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I

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x
G

G

G

R

-

D

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G

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N

S

S

S

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G

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A

A

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A

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E

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A

-

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N

A

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x
S

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T

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I

A

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L

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M

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L

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E

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R

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E

R

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x
K

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Y

F

Y

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Y

P

P

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T

G

G

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E

S

S

Y
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Y

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L

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R

A

L

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E

A

P

A

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M

R

E

I

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-

E

-

R

K

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N

G

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L

active site: R239 (= R11), H240 (= H12), N246 (= N18), S289 (≠ R65), E309 (= E92), H374 (= H155)
binding 6-O-phosphono-beta-D-fructofuranose: G252 (≠ Q24), E309 (= E92), Y320 (≠ W103), R334 (= R117), K338 (≠ P121), Y349 (= Y132), Q375 (≠ G156), R379 (= R160)

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

3qpwA Pfkfb3 in complex with aluminum tetrafluoride (see paper)
30% identity, 81% coverage: 5:163/196 of query aligns to 238:387/431 of 3qpwA

query
sites
3qpwA

R

R

R

T

L

I

F

Y

L

L

V

C

R
|
R

H
|
H

G

G

E

E

T

N

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H

N
|
N

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G

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A

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E

L

-

A

-

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Q

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N

A

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x
S

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M

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Y

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A

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K

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active site: R244 (= R11), H245 (= H12), N251 (= N18), S294 (≠ R65), E314 (= E92), H379 (= H155)
binding tetrafluoroaluminate ion: R244 (= R11), H245 (= H12), H379 (= H155), Q380 (≠ G156)

Sites not aligning to the query:

binding adenosine-5'-diphosphate: 36, 37, 38, 39, 40, 41, 144, 155, 158, 159, 160, 235, 416
binding phosphoenolpyruvate: 63, 66, 79, 90, 118, 185

5ajxA Human pfkfb3 in complex with an indole inhibitor 3 (see paper)
30% identity, 81% coverage: 5:163/196 of query aligns to 243:392/441 of 5ajxA

query
sites
5ajxA

R

R

R

T

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I

F

Y

L

L

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C

R
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R

H
|
H

G

G

E

E

T

N

D

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H

N
|
N

V

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Q

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G

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R

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x
I

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x
G

G

G

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-

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G

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A

A

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A

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x
S

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Q

T

T

M

A

R

E

I

A

L

L

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R

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-

M

-

N

-

L

L

P

P

A

Y

S

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F

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P

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E

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Y

T

P

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T

L

R
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R

E

E

R

Q

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x
K

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Y

F

Y

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P

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Y

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H

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R

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L

active site: R249 (= R11), H250 (= H12), N256 (= N18), S299 (≠ R65), E319 (= E92), H384 (= H155)
binding 6-O-phosphono-beta-D-fructofuranose: I261 (≠ L23), G262 (≠ Q24), E319 (= E92), Y330 (≠ W103), R344 (= R117), K348 (≠ P121), Y359 (= Y132), Q385 (≠ G156), R389 (= R160)
binding phosphonic acid: R249 (= R11), H250 (= H12), N256 (= N18), H384 (= H155), Q385 (≠ G156)

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

4ma4A S-glutathionylated pfkfb3 (see paper)
30% identity, 81% coverage: 5:163/196 of query aligns to 237:386/444 of 4ma4A

query
sites
4ma4A

R

R

R

T

L

I

F

Y

L

L

V

C

R
|
R

H
|
H

G

G

E

E

T

N

D

E

W

H

N
|
N

V

L

A

Q

G

G

R

R

L

I

Q
x
G

G

G

R

-

D

D

I

S

P

G

L

L

N

S

S

S

L

R

G

G

R

K

A

K

Q

F

A

A

A

S

R

A

V

L

G

S

R

K

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F

L

V

P

E

Q

E

L

-

A

-

G

Q

E

N

A

L

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D

L

L

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S

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L

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x
S

A

T

L

I

E

Q

T

T

M

A

R

E

I

A

L

L

R

R

T

-

M

-

N

-

L

L

P

P

A

Y

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F

W

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K

H

-

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-

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E
|
E

L

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G

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D

Y

T

P

E

E

G

E

V

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R

A

T

L

R
|
R

E

E

R

Q

D

D

P
x
K

W

Y

S

Y

F

Y

V

R

P

Y

P

P

E

T

G

G

E

E

S

S

Y
|
Y

A

Q

G

D

L

L

A

V

H

Q

R

R

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L

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E

A

P

A

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M

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-

E

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R

K

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E

D

N

G

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L

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H

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x
Q

G

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R

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C

L

L

active site: R243 (= R11), H244 (= H12), N250 (= N18), S293 (≠ R65), E313 (= E92), H378 (= H155)
binding 6-O-phosphono-beta-D-fructofuranose: G256 (≠ Q24), E313 (= E92), Y324 (≠ W103), R338 (= R117), K342 (≠ P121), Y353 (= Y132), Q379 (≠ G156), R383 (= R160)

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

Query Sequence

>WP_012170279.1 NCBI__GCF_000010525.1:WP_012170279.1
MTGRRRLFLVRHGETDWNVAGRLQGRRDIPLNSLGRAQAARVGRVLPQLAGEASGLHFVS
SPLGRALETMRILRTTMNLPASDFAHDPQLAELSFGQWEGMTWPEIRRRDTEGVRTRERD
PWSFVPPEGESYAGLAHRAGAAIDRIKGDGVVVTHGGVIRALLHARAGMPANEAAVVPIR
QGAIYVLSDGAFEVKD

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