SitesBLAST

1o03A Structure of pentavalent phosphorous intermediate of an enzyme catalyzed phosphoryl transfer reaction observed on cocrystallization with glucose 6-phosphate (see paper)
39% identity, 96% coverage: 4:213/218 of query aligns to 3:213/221 of 1o03A

query
sites
1o03A

K

K

A

A

F

V

I

L

F

F

D
|
D

L
|
L

D
|
D

G

G

V

V

I

I

V

T

D

D

T
|
T

A

A

K

E

Y

Y

H
|
H

Y

F

L

R

A

A

W

W

Q

K

K

A

I

L

A

A

A

E

Q

E

L

I

G

G

I

I

D

N

-

G

F

V

T

D

H

R

E

Q

H

F

N

N

E

E

L

Q

L

L

K
|
K

G
|
G

V
|
V

S

S

R
|
R

V

E

R

D

S

S

L

L

E

Q

I

K

I

I

L

L

G

D

L

L

G

A

N

D

I

K

E

K

A

V

S

S

Q

A

E

E

D

E

K

F

D

K

K

E

W

L

L

A

V

K

E

R

K

K

N

N

E

D

D

N

Y

Y

L

V

G

K

Y

M

I

I

T

Q

N

D

M

V

K

S

E

P

D

A

E

D

I

V

L

Y

E

P

G

G

V

I

V

L

P

Q

V

L

L

L

D

K

F

D

L

L

K

R

E

S

N

N

G

K

Q

I

L

K

I

I

A

A

L

L

G

A

S
|
S

A
|
A

S
|
S

K
|
K

N

N

A

G

R

P

P

F

I

L

L

L

E

E

K

R

V

M

N

N

I

L

L

T

H

G

Y

Y

F

F

D

D

A

A

I

I

V

A

D

D

G

P

N

A

D

E

V

V

T

A

N

A

A

S

K
|
K

P

P

D

A

P

P

E

D

V

I

F

F

V

I

R

A

A

A

Q

H

L

A

L

V

G

G

K

V

T

A

A

P

Q

S

D

E

S

S

I

I

V

G

F

L

E
|
E

D
|
D

S

S

V

Q

A

A

G

G

V

I

Q

Q

A

A

A

I

N

K

I

D

A

S

N

G

M

A

V

L

S

P

V

I

G

G

I

V

G

G

H

R

K

P

D

E

I

D

L

L

N

G

E

D

A

D

R

I

F

V

N

I

F

V

N

P

D

D

F

T

T

S

E

H

I

Y

D

T

N

L

N

E

F

F

L

L

K

K

active site: D8 (= D9), L9 (= L10), D10 (= D11), T16 (= T17), K45 (= K45), S114 (= S114), A115 (= A115), K145 (= K145), E169 (= E169), D170 (= D170)
binding 1,6-di-O-phosphono-alpha-D-glucopyranose: D8 (= D9), L9 (= L10), D10 (= D11), H20 (= H21), G46 (= G46), V47 (= V47), R49 (= R49), S114 (= S114), A115 (= A115), S116 (= S116), K117 (= K117), K145 (= K145)
binding magnesium ion: D8 (= D9), D10 (= D11), D170 (= D170)

1lvhA The structure of phosphorylated beta-phosphoglucomutase from lactoccocus lactis to 2.3 angstrom resolution (see paper)
39% identity, 96% coverage: 4:213/218 of query aligns to 3:213/221 of 1lvhA

query
sites
1lvhA

K

K

A

A

F

V

I

L

F

F

D
|
D

L
|
L

D
|
D

G

G

V

V

I

I

V

T

D

D

T
|
T

A

A

K

E

Y

Y

H

H

Y

F

L

R

A

A

W

W

Q

K

K

A

I

L

A

A

A

E

Q

E

L

I

G

G

I

I

D

N

-

G

F

V

T

D

H

R

E

Q

H

F

N

N

E

E

L

Q

L

L

K
|
K

G

G

V

V

S

S

R

R

V

E

R

D

S

S

L

L

E

Q

I

K

I

I

L

L

G

D

L

L

G

A

N

D

I

K

E

K

A

V

S

S

Q

A

E

E

D

E

K

F

D

K

K

E

W

L

L

A

V

K

E

R

K

K

N

N

E

D

D

N

Y

Y

L

V

G

K

Y

M

I

I

T

Q

N

D

M

V

K

S

E

P

D

A

E

D

I

V

L

Y

E

P

G

G

V

I

V

L

P

Q

V

L

L

L

D

K

F

D

L

L

K

R

E

S

N

N

G

K

Q

I

L

K

I

I

A

A

L

L

G

A

S
|
S

A
|
A

S

S

K

K

N

N

A

G

R

P

P

F

I

L

L

L

E

E

K

R

V

M

N

N

I

L

L

T

H

G

Y

Y

F

F

D

D

A

A

I

I

V

A

D

D

G

P

N

A

D

E

V

V

T

A

N

A

A

S

K
|
K

P

P

D

A

P

P

E

D

V

I

F

F

V

I

R

A

A

A

Q

H

L

A

L

V

G

G

K

V

T

A

A

P

Q

S

D

E

S

S

I

I

V

G

F

L

E
|
E

D
|
D

S

S

V

Q

A

A

G

G

V

I

Q

Q

A

A

A

I

N

K

I

D

A

S

N

G

M

A

V

L

S

P

V

I

G

G

I

V

G

G

H

R

K

P

D

E

I

D

L

L

N

G

E

D

A

D

R

I

F

V

N

I

F

V

N

P

D

D

F

T

T

S

E

H

I

Y

D

T

N

L

N

E

F

F

L

L

K

K

active site: D8 (= D9), L9 (= L10), D10 (= D11), T16 (= T17), K45 (= K45), S114 (= S114), A115 (= A115), K145 (= K145), E169 (= E169), D170 (= D170)
binding magnesium ion: D8 (= D9), D10 (= D11), D170 (= D170)

P71447 Beta-phosphoglucomutase; Beta-PGM; EC 5.4.2.6 from Lactococcus lactis subsp. lactis (strain IL1403) (Streptococcus lactis) (see 7 papers)
40% identity, 96% coverage: 4:213/218 of query aligns to 3:213/221 of P71447

query
sites
P71447

K

K

A

A

F

V

I

L

F

F

D
|
D

L

L

D
|
D

G

G

V

V

I

I

V

T

D

D

T
|
T

A

A

K

E

Y

Y

H
|
H

Y

F

L

R

A

A

W

W

Q

K

K

A

I

L

A

A

A

E

Q

E

L

I

G

G

I

I

D

N

-

G

F

V

T

D

H

R

E

Q

H

F

N

N

E

E

L

Q

L

L

K
|
K

G
|
G

V
|
V

S

S

R
|
R

V

E

R

D

S
|
S

L

L

E

Q

I

K

I

I

L

L

G

D

L

L

G

A

N

D

I

K

E

K

A

V

S

S

Q

A

E

E

D

E

K

F

D

K

K

E

W

L

L

A

V

K

E

R

K
|
K

N

N

E

D

D

N

Y

Y

L

V

G

K

Y

M

I

I

T

Q

N

D

M

V

K

S

E

P

D

A

E

D

I

V

L

Y

E

P

G

G

V

I

V

L

P

Q

V

L

L

L

D

K

F

D

L

L

K

R

E

S

N

N

G

K

Q

I

L

K

I

I

A

A

L

L

G

A

S

S

A

A

S
|
S

K
|
K

N
|
N

A

G

R

P

P

F

I

L

L

L

E

E

K

K

V

M

N

N

I

L

L

T

H

G

Y

Y

F

F

D

D

A

A

I

I

V

A

D

D

G

P

N

A

D

E

V

V

T

A

N

A

A

S

K

K

P

P

D

A

P

P

E

D

V

I

F

F

V

I

R

A

A

A

Q

H

L

A

L

V

G

G

K

V

T

A

A

P

Q

S

D

E

S

S

I

I

V

G

F

L

E

E

D
|
D

S

S

V

Q

A

A

G

G

V

I

Q

Q

A

A

A

I

N

K

I

D

A

S

N

G

M

A

V

L

S

P

V

I

G

G

I

V

G

G

H

R

K

P

D

E

I

D

L

L

N

G

E

D

A

D

R

I

F

V

N

I

F

V

N

P

D

D

F

T

T

S

E

Y

I

Y

D

T

N

L

N

E

F

F

L

L

K

K

D8 (= D9) binding Mg(2+); modified: 4-aspartylphosphate; mutation D->A,E: Inactive.
D10 (= D11) binding beta-D-glucose 6-phosphate; binding Mg(2+); mutation D->A,E,N,S: Inactive.
T16 (= T17) mutation to P: 500-fold reduction in the rate constant for Asp-8 phosphorylation by beta-G1,6bisP. 6,700-fold reduction in the apparent rate constant for cycling of the phosphorylated enzyme to convert beta-G1P to G6P. 13-fold increase in the estimated rate constant for phosphoryl transfer from the phospho-Asp8 to water.
H20 (= H21) mutation to A: Impairs Asp-8 phosphorylation by beta-G1,6bisP and phosphoryl transfer from the phospho-Asp8 to the substrate beta-G1P.; mutation to N: 300-fold reduction in the conversion of beta-G1P to G6P in the presence of beta-G1,6bisP.; mutation to Q: 8-fold reduction in the conversion of beta-G1P to G6P in the presence of beta-G1,6bisP.
K45 (= K45) mutation to A: 20'000-fold decrease in catalytic efficiency.
G46 (= G46) binding beta-D-glucose 6-phosphate; mutation to A: 1'000'000-fold decrease in catalytic efficiency.; mutation to P: 100'000-fold decrease in catalytic efficiency.; mutation to V: 10'000-fold decrease in catalytic efficiency.
V47 (= V47) binding beta-D-glucose 6-phosphate
R49 (= R49) binding beta-D-glucose 6-phosphate; mutation to K: 1'000'000-fold decrease in catalytic efficiency.
S52 (= S52) mutation to A: Wild-type activity.
K76 (= K76) mutation to A: 100-fold reduction in the conversion of beta-G1P to G6P in the presence of beta-G1,6bisP.
S116 (= S116) binding beta-D-glucose 6-phosphate
K117 (= K117) binding beta-D-glucose 6-phosphate
N118 (= N118) binding beta-D-glucose 6-phosphate
D170 (= D170) binding Mg(2+); mutation to A: Impaired, but active with an increase in the affinity for G1P.

6h91A Phosphorylated beta-phosphoglucomutase from lactococcus lactis in an open conformer to 2.4 a
39% identity, 96% coverage: 4:213/218 of query aligns to 3:213/218 of 6h91A

query
sites
6h91A

K

K

A

A

F

V

I

L

F

F

D
|
D

L

L

D
|
D

G

G

V

V

I

I

V

T

D

D

T

T

A

A

K

E

Y

Y

H

H

Y

F

L

R

A

A

W

W

Q

K

K

A

I

L

A

A

A

E

Q

E

L

I

G

G

I

I

D

N

-

G

F

V

T

D

H

R

E

Q

H

F

N

N

E

E

L

Q

L

L

K

K

G

G

V

V

S

S

R
|
R

V

E

R

D

S

S

L

L

E

Q

I

K

I

I

L

L

G

D

L

L

G

A

N

D

I

K

E

K

A

V

S

S

Q

A

E

E

D

E

K

F

D

K

K

E

W

L

L

A

V

K

E

R

K

K

N

N

E

D

D

N

Y

Y

L

V

G

K

Y

M

I

I

T

Q

N

D

M

V

K

S

E

P

D

A

E

D

I

V

L

Y

E

P

G

G

V

I

V

L

P

Q

V

L

L

L

D

K

F

D

L

L

K

R

E

S

N

N

G

K

Q

I

L

K

I

I

A

A

L

L

G

A

S

S

A

A

S

S

K
|
K

N

N

A

G

R

P

P

F

I

L

L

L

E

E

K

R

V

M

N

N

I

L

L

T

H

G

Y

Y

F

F

D

D

A

A

I

I

V

A

D

D

G

P

N

A

D

E

V

V

T

A

N

A

A

S

K

K

P

P

D

A

P

P

E

D

V

I

F

F

V

I

R

A

A

A

Q

H

L

A

L

V

G

G

K

V

T

A

A

P

Q

S

D

E

S

S

I

I

V

G

F

L

E

E

D
|
D

S

S

V

Q

A

A

G

G

V

I

Q

Q

A

A

A

I

N

K

I

D

A

S

N

G

M

A

V

L

S

P

V

I

G

G

I

V

G

G

H

R

K

P

D

E

I

D

L

L

N

G

E

D

A

D

R

I

F

V

N

I

F

V

N

P

D

D

F

T

T

S

E

H

I

Y

D

T

N

L

N

E

F

F

L

L

K

K

binding magnesium ion: D8 (= D9), D10 (= D11), D170 (= D170)
binding acetylphosphate: R49 (= R49), K117 (= K117)

4c4rA Structure of beta-phosphoglucomutase in complex with a phosphonate analogue of beta-glucose-1-phosphate and magnesium trifluoride (see paper)
39% identity, 96% coverage: 4:213/218 of query aligns to 3:213/218 of 4c4rA

query
sites
4c4rA

K

K

A

A

F

V

I

L

F

F

D
|
D

L
|
L

D
|
D

G

G

V

V

I

I

V

T

D

D

T
|
T

A

A

K

E

Y

Y

H
|
H

Y

F

L

R

A

A

W
|
W

Q

K

K

A

I

L

A

A

A

E

Q

E

L

I

G

G

I

I

D

N

-

G

F

V

T

D

H

R

E

Q

H

F

N

N

E

E

L

Q

L
|
L

K
|
K

G
|
G

V
|
V

S

S

R
|
R

V

E

R

D

S
|
S

L

L

E

Q

I

K

I

I

L

L

G

D

L

L

G

A

N

D

I

K

E

K

A

V

S

S

Q

A

E

E

D

E

K

F

D

K

K

E

W

L

L

A

V

K

E

R

K

K

N

N

E

D

D

N

Y

Y

L

V

G

K

Y

M

I

I

T

Q

N

D

M

V

K

S

E

P

D

A

E

D

I

V

L

Y

E

P

G

G

V

I

V

L

P

Q

V

L

L

L

D

K

F

D

L

L

K

R

E

S

N

N

G

K

Q

I

L

K

I

I

A

A

L

L

G

A

S
|
S

A
|
A

S
|
S

K
|
K

N

N

A

G

R

P

P

F

I

L

L

L

E

E

K

R

V

M

N

N

I

L

L

T

H

G

Y

Y

F

F

D

D

A

A

I

I

V

A

D

D

G

P

N

A

D

E

V

V

T

A

N

A

A

S

K
|
K

P

P

D

A

P

P

E

D

V

I

F

F

V

I

R

A

A

A

Q

H

L

A

L

V

G

G

K

V

T

A

A

P

Q

S

D

E

S

S

I

I

V

G

F

L

E
|
E

D
|
D

S

S

V

Q

A

A

G

G

V

I

Q

Q

A

A

A

I

N

K

I

D

A

S

N

G

M

A

V

L

S

P

V

I

G

G

I

V

G

G

H

R

K

P

D

E

I

D

L

L

N

G

E

D

A

D

R

I

F

V

N

I

F

V

N

P

D

D

F

T

T

S

E

H

I

Y

D

T

N

L

N

E

F

F

L

L

K

K

active site: D8 (= D9), L9 (= L10), D10 (= D11), T16 (= T17), K45 (= K45), S114 (= S114), A115 (= A115), K145 (= K145), E169 (= E169), D170 (= D170)
binding magnesium ion: D8 (= D9), D10 (= D11), D170 (= D170)
binding trifluoromagnesate: D8 (= D9), L9 (= L10), D10 (= D11), S114 (= S114), A115 (= A115), K145 (= K145)
binding (1R)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol: D10 (= D11), H20 (= H21), W24 (= W25), L44 (= L44), G46 (= G46), V47 (= V47), R49 (= R49), S52 (= S52), S116 (= S116), K117 (= K117)

3zi4A The structure of beta-phosphoglucomutase inhibited with glucose-6- phosphate and scandium tetrafluoride (see paper)
39% identity, 96% coverage: 4:213/218 of query aligns to 3:213/218 of 3zi4A

query
sites
3zi4A

K

K

A

A

F

V

I

L

F

F

D
|
D

L
|
L

D
|
D

G

G

V

V

I

I

V

T

D

D

T
|
T

A

A

K

E

Y

Y

H
|
H

Y

F

L

R

A

A

W

W

Q

K

K

A

I

L

A

A

A

E

Q

E

L

I

G

G

I

I

D

N

-

G

F

V

T

D

H

R

E

Q

H

F

N

N

E

E

L

Q

L

L

K
|
K

G
|
G

V
|
V

S

S

R
|
R

V

E

R

D

S

S

L

L

E

Q

I

K

I

I

L

L

G

D

L

L

G

A

N

D

I

K

E

K

A

V

S

S

Q

A

E

E

D

E

K

F

D

K

K

E

W

L

L

A

V

K

E

R

K

K

N

N

E

D

D

N

Y

Y

L

V

G

K

Y

M

I

I

T

Q

N

D

M

V

K

S

E

P

D

A

E

D

I

V

L

Y

E

P

G

G

V

I

V

L

P

Q

V

L

L

L

D

K

F

D

L

L

K

R

E

S

N

N

G

K

Q

I

L

K

I

I

A

A

L

L

G

A

S
|
S

A
|
A

S
|
S

K
|
K

N

N

A

G

R

P

P

F

I

L

L

L

E

E

K

R

V

M

N

N

I

L

L

T

H

G

Y

Y

F

F

D

D

A

A

I

I

V

A

D

D

G

P

N

A

D

E

V

V

T

A

N

A

A

S

K
|
K

P

P

D

A

P

P

E

D

V

I

F

F

V

I

R

A

A

A

Q

H

L

A

L

V

G

G

K

V

T

A

A

P

Q

S

D

E

S

S

I

I

V

G

F

L

E
|
E

D
|
D

S

S

V

Q

A

A

G

G

V

I

Q

Q

A

A

A

I

N

K

I

D

A

S

N

G

M

A

V

L

S

P

V

I

G

G

I

V

G

G

H

R

K

P

D

E

I

D

L

L

N

G

E

D

A

D

R

I

F

V

N

I

F

V

N

P

D

D

F

T

T

S

E

H

I

Y

D

T

N

L

N

E

F

F

L

L

K

K

active site: D8 (= D9), L9 (= L10), D10 (= D11), T16 (= T17), K45 (= K45), S114 (= S114), A115 (= A115), K145 (= K145), E169 (= E169), D170 (= D170)
binding 6-O-phosphono-beta-D-glucopyranose: D10 (= D11), H20 (= H21), G46 (= G46), V47 (= V47), R49 (= R49), S116 (= S116), K117 (= K117)
binding magnesium ion: D8 (= D9), D10 (= D11), D170 (= D170)
binding Scandium Tetrafluoride: D8 (= D9), L9 (= L10), D10 (= D11), S114 (= S114), A115 (= A115), K145 (= K145)

2wf8A Structure of beta-phosphoglucomutase inhibited with glucose-6- phosphate, glucose-1-phosphate and beryllium trifluoride (see paper)
39% identity, 96% coverage: 4:213/218 of query aligns to 3:213/218 of 2wf8A

query
sites
2wf8A

K

K

A

A

F

V

I

L

F

F

D
|
D

L
|
L

D
|
D

G

G

V

V

I

I

V

T

D

D

T
|
T

A

A

K

E

Y

Y

H
|
H

Y

F

L

R

A

A

W
|
W

Q

K

K

A

I

L

A

A

A

E

Q

E

L

I

G

G

I

I

D

N

-

G

F

V

T

D

H

R

E

Q

H

F

N

N

E

E

L

Q

L
|
L

K
|
K

G
|
G

V
|
V

S

S

R
|
R

V

E

R

D

S
|
S

L

L

E

Q

I

K

I

I

L

L

G

D

L

L

G

A

N

D

I

K

E

K

A

V

S

S

Q

A

E

E

D

E

K

F

D

K

K

E

W

L

L

A

V

K

E

R

K

K

N

N

E

D

D

N

Y

Y

L

V

G

K

Y

M

I

I

T

Q

N

D

M

V

K

S

E

P

D

A

E

D

I

V

L

Y

E

P

G

G

V

I

V

L

P

Q

V

L

L

L

D

K

F

D

L

L

K

R

E

S

N

N

G

K

Q

I

L

K

I

I

A

A

L

L

G

A

S
|
S

A
|
A

S
|
S

K
|
K

N

N

A

G

R

P

P

F

I

L

L

L

E

E

K

R

V

M

N

N

I

L

L

T

H

G

Y

Y

F

F

D

D

A

A

I

I

V

A

D

D

G

P

N

A

D

E

V

V

T

A

N

A

A

S

K
|
K

P

P

D

A

P

P

E

D

V

I

F

F

V

I

R

A

A

A

Q

H

L

A

L

V

G

G

K

V

T

A

A

P

Q

S

D

E

S

S

I

I

V

G

F

L

E
|
E

D
|
D

S

S

V

Q

A

A

G

G

V

I

Q

Q

A

A

A

I

N

K

I

D

A

S

N

G

M

A

V

L

S

P

V

I

G

G

I

V

G

G

H

R

K

P

D

E

I

D

L

L

N

G

E

D

A

D

R

I

F

V

N

I

F

V

N

P

D

D

F

T

T

S

E

H

I

Y

D

T

N

L

N

E

F

F

L

L

K

K

active site: D8 (= D9), L9 (= L10), D10 (= D11), T16 (= T17), K45 (= K45), S114 (= S114), A115 (= A115), K145 (= K145), E169 (= E169), D170 (= D170)
binding beryllium trifluoride ion: D8 (= D9), L9 (= L10), D10 (= D11), S114 (= S114), A115 (= A115), K145 (= K145)
binding 6-O-phosphono-beta-D-glucopyranose: D10 (= D11), H20 (= H21), G46 (= G46), V47 (= V47), R49 (= R49), A115 (= A115), S116 (= S116), K117 (= K117)
binding 1-O-phosphono-alpha-D-glucopyranose: D10 (= D11), H20 (= H21), W24 (= W25), L44 (= L44), G46 (= G46), V47 (= V47), R49 (= R49), S52 (= S52), A115 (= A115), S116 (= S116), K117 (= K117)
binding magnesium ion: D8 (= D9), D10 (= D11), D170 (= D170)

2wf7A Structure of beta-phosphoglucomutase inhibited with glucose-6- phosphonate and aluminium tetrafluoride (see paper)
39% identity, 96% coverage: 4:213/218 of query aligns to 3:213/218 of 2wf7A

query
sites
2wf7A

K

K

A

A

F

V

I

L

F

F

D
|
D

L
|
L

D
|
D

G

G

V

V

I

I

V

T

D

D

T
|
T

A

A

K

E

Y

Y

H

H

Y

F

L

R

A

A

W

W

Q

K

K

A

I

L

A

A

A

E

Q

E

L

I

G

G

I

I

D

N

-

G

F

V

T

D

H

R

E

Q

H

F

N

N

E

E

L

Q

L

L

K
|
K

G
|
G

V
|
V

S

S

R
|
R

V

E

R

D

S

S

L

L

E

Q

I

K

I

I

L

L

G

D

L

L

G

A

N

D

I

K

E

K

A

V

S

S

Q

A

E

E

D

E

K

F

D

K

K

E

W

L

L

A

V

K

E

R

K

K

N

N

E

D

D

N

Y

Y

L

V

G

K

Y

M

I

I

T

Q

N

D

M

V

K

S

E

P

D

A

E

D

I

V

L

Y

E

P

G

G

V

I

V

L

P

Q

V

L

L

L

D

K

F

D

L

L

K

R

E

S

N

N

G

K

Q

I

L

K

I

I

A

A

L

L

G

A

S
|
S

A
|
A

S
|
S

K
|
K

N
|
N

A

G

R

P

P

F

I

L

L

L

E

E

K

R

V

M

N

N

I

L

L

T

H

G

Y

Y

F

F

D

D

A

A

I

I

V

A

D

D

G

P

N

A

D

E

V

V

T

A

N

A

A

S

K
|
K

P

P

D

A

P

P

E

D

V

I

F

F

V

I

R

A

A

A

Q

H

L

A

L

V

G

G

K

V

T

A

A

P

Q

S

D

E

S

S

I

I

V

G

F

L

E
|
E

D
|
D

S

S

V

Q

A

A

G

G

V

I

Q

Q

A

A

A

I

N

K

I

D

A

S

N

G

M

A

V

L

S

P

V

I

G

G

I

V

G

G

H

R

K

P

D

E

I

D

L

L

N

G

E

D

A

D

R

I

F

V

N

I

F

V

N

P

D

D

F

T

T

S

E

H

I

Y

D

T

N

L

N

E

F

F

L

L

K

K

active site: D8 (= D9), L9 (= L10), D10 (= D11), T16 (= T17), K45 (= K45), S114 (= S114), A115 (= A115), K145 (= K145), E169 (= E169), D170 (= D170)
binding tetrafluoroaluminate ion: D8 (= D9), L9 (= L10), D10 (= D11), S114 (= S114), K145 (= K145)
binding 6,7-dideoxy-7-phosphono-beta-D-gluco-heptopyranose: D10 (= D11), G46 (= G46), V47 (= V47), R49 (= R49), S116 (= S116), K117 (= K117), N118 (= N118)
binding magnesium ion: D8 (= D9), D10 (= D11), D170 (= D170)

2wf6A Structure of beta-phosphoglucomutase inhibited with glucose-6- phosphate and aluminium tetrafluoride (see paper)
39% identity, 96% coverage: 4:213/218 of query aligns to 3:213/218 of 2wf6A

query
sites
2wf6A

K

K

A

A

F

V

I

L

F

F

D
|
D

L
|
L

D
|
D

G

G

V

V

I

I

V

T

D

D

T
|
T

A

A

K

E

Y

Y

H

H

Y

F

L

R

A

A

W

W

Q

K

K

A

I

L

A

A

A

E

Q

E

L

I

G

G

I

I

D

N

-

G

F

V

T

D

H

R

E

Q

H

F

N

N

E

E

L

Q

L

L

K
|
K

G
|
G

V
|
V

S

S

R
|
R

V

E

R

D

S

S

L

L

E

Q

I

K

I

I

L

L

G

D

L

L

G

A

N

D

I

K

E

K

A

V

S

S

Q

A

E

E

D

E

K

F

D

K

K

E

W

L

L

A

V

K

E

R

K

K

N

N

E

D

D

N

Y

Y

L

V

G

K

Y

M

I

I

T

Q

N

D

M

V

K

S

E

P

D

A

E

D

I

V

L

Y

E

P

G

G

V

I

V

L

P

Q

V

L

L

L

D

K

F

D

L

L

K

R

E

S

N

N

G

K

Q

I

L

K

I

I

A

A

L

L

G

A

S
|
S

A
|
A

S
|
S

K
|
K

N

N

A

G

R

P

P

F

I

L

L

L

E

E

K

R

V

M

N

N

I

L

L

T

H

G

Y

Y

F

F

D

D

A

A

I

I

V

A

D

D

G

P

N

A

D

E

V

V

T

A

N

A

A

S

K
|
K

P

P

D

A

P

P

E

D

V

I

F

F

V

I

R

A

A

A

Q

H

L

A

L

V

G

G

K

V

T

A

A

P

Q

S

D

E

S

S

I

I

V

G

F

L

E
|
E

D
|
D

S

S

V

Q

A

A

G

G

V

I

Q

Q

A

A

A

I

N

K

I

D

A

S

N

G

M

A

V

L

S

P

V

I

G

G

I

V

G

G

H

R

K

P

D

E

I

D

L

L

N

G

E

D

A

D

R

I

F

V

N

I

F

V

N

P

D

D

F

T

T

S

E

H

I

Y

D

T

N

L

N

E

F

F

L

L

K

K

active site: D8 (= D9), L9 (= L10), D10 (= D11), T16 (= T17), K45 (= K45), S114 (= S114), A115 (= A115), K145 (= K145), E169 (= E169), D170 (= D170)
binding tetrafluoroaluminate ion: D8 (= D9), L9 (= L10), D10 (= D11), S114 (= S114), K145 (= K145)
binding 6-O-phosphono-beta-D-glucopyranose: D10 (= D11), G46 (= G46), V47 (= V47), R49 (= R49), S116 (= S116), K117 (= K117)
binding magnesium ion: D8 (= D9), D10 (= D11), D170 (= D170)

2wf5A Structure of beta-phosphoglucomutase inhibited with glucose-6- phosphate and trifluoromagnesate (see paper)
39% identity, 96% coverage: 4:213/218 of query aligns to 3:213/218 of 2wf5A

query
sites
2wf5A

K

K

A

A

F

V

I

L

F

F

D
|
D

L
|
L

D
|
D

G

G

V

V

I

I

V

T

D

D

T
|
T

A

A

K

E

Y

Y

H
|
H

Y

F

L

R

A

A

W

W

Q

K

K

A

I

L

A

A

A

E

Q

E

L

I

G

G

I

I

D

N

-

G

F

V

T

D

H

R

E

Q

H

F

N

N

E

E

L

Q

L

L

K
|
K

G
|
G

V
|
V

S

S

R
|
R

V

E

R

D

S

S

L

L

E

Q

I

K

I

I

L

L

G

D

L

L

G

A

N

D

I

K

E

K

A

V

S

S

Q

A

E

E

D

E

K

F

D

K

K

E

W

L

L

A

V

K

E

R

K

K

N

N

E

D

D

N

Y

Y

L

V

G

K

Y

M

I

I

T

Q

N

D

M

V

K

S

E

P

D

A

E

D

I

V

L

Y

E

P

G

G

V

I

V

L

P

Q

V

L

L

L

D

K

F

D

L

L

K

R

E

S

N

N

G

K

Q

I

L

K

I

I

A

A

L

L

G

A

S
|
S

A
|
A

S
|
S

K

K

N

N

A

G

R

P

P

F

I

L

L

L

E

E

K

R

V

M

N

N

I

L

L

T

H

G

Y

Y

F

F

D

D

A

A

I

I

V

A

D

D

G

P

N

A

D

E

V

V

T

A

N

A

A

S

K
|
K

P

P

D

A

P

P

E

D

V

I

F

F

V

I

R

A

A

A

Q

H

L

A

L

V

G

G

K

V

T

A

A

P

Q

S

D

E

S

S

I

I

V

G

F

L

E
|
E

D
|
D

S

S

V

Q

A

A

G

G

V

I

Q

Q

A

A

A

I

N

K

I

D

A

S

N

G

M

A

V

L

S

P

V

I

G

G

I

V

G

G

H

R

K

P

D

E

I

D

L

L

N

G

E

D

A

D

R

I

F

V

N

I

F

V

N

P

D

D

F

T

T

S

E

H

I

Y

D

T

N

L

N

E

F

F

L

L

K

K

active site: D8 (= D9), L9 (= L10), D10 (= D11), T16 (= T17), K45 (= K45), S114 (= S114), A115 (= A115), K145 (= K145), E169 (= E169), D170 (= D170)
binding 6-O-phosphono-beta-D-glucopyranose: D10 (= D11), H20 (= H21), G46 (= G46), V47 (= V47), R49 (= R49), A115 (= A115), S116 (= S116)
binding magnesium ion: D8 (= D9), D10 (= D11), D170 (= D170)
binding trifluoromagnesate: D8 (= D9), L9 (= L10), D10 (= D11), S114 (= S114), A115 (= A115), K145 (= K145)

6qzgA Beta-glucose 1,6-bisphosphonate bound to wild type beta- phosphoglucomutse in an open conformation.
39% identity, 96% coverage: 4:213/218 of query aligns to 3:213/219 of 6qzgA

query
sites
6qzgA

K

K

A

A

F

V

I

L

F

F

D
|
D

L
|
L

D
|
D

G

G

V

V

I

I

V

T

D

D

T

T

A

A

K

E

Y

Y

H
|
H

Y

F

L

R

A

A

W

W

Q

K

K

A

I

L

A

A

A

E

Q

E

L

I

G

G

I

I

D

N

-

G

F

V

T

D

H

R

E

Q

H

F

N

N

E

E

L

Q

L

L

K

K

G
|
G

V

V

S

S

R

R

V

E

R

D

S

S

L

L

E

Q

I

K

I

I

L

L

G

D

L

L

G

A

N

D

I

K

E

K

A

V

S

S

Q

A

E

E

D

E

K

F

D

K

K

E

W

L

L

A

V

K

E

R

K

K

N

N

E

D

D

N

Y

Y

L

V

G

K

Y

M

I

I

T

Q

N

D

M

V

K

S

E

P

D

A

E

D

I

V

L

Y

E

P

G

G

V

I

V

L

P

Q

V

L

L

L

D

K

F

D

L

L

K

R

E

S

N

N

G

K

Q

I

L

K

I

I

A

A

L

L

G

A

S
|
S

A
|
A

S
|
S

K
|
K

N

N

A

G

R

P

P

F

I

L

L

L

E

E

K

R

V

M

N

N

I

L

L

T

H

G

Y

Y

F

F

D

D

A

A

I

I

V

A

D

D

G

P

N

A

D

E

V

V

T

A

N

A

A

S

K
|
K

P

P

D

A

P

P

E

D

V

I

F

F

V

I

R

A

A

A

Q

H

L

A

L

V

G

G

K

V

T

A

A

P

Q

S

D

E

S

S

I

I

V

G

F

L

E

E

D
|
D

S

S

V

Q

A

A

G

G

V

I

Q

Q

A

A

A

I

N

K

I

D

A

S

N

G

M

A

V

L

S

P

V

I

G

G

I

V

G

G

H

R

K

P

D

E

I

D

L

L

N

G

E

D

A

D

R

I

F

V

N

I

F

V

N

P

D

D

F

T

T

S

E

H

I

Y

D

T

N

L

N

E

F

F

L

L

K

K

binding 3,7-anhydro-1,2,8-trideoxy-1,8-diphosphono-D-glycero-D-gulo-octitol: D8 (= D9), L9 (= L10), D10 (= D11), H20 (= H21), G46 (= G46), S114 (= S114), A115 (= A115), S116 (= S116), K117 (= K117), K145 (= K145)
binding magnesium ion: D8 (= D9), D10 (= D11), D170 (= D170)

1z4nA Structure of beta-phosphoglucomutase with inhibitor bound alpha- galactose 1-phosphate cocrystallized with fluoride (see paper)
39% identity, 96% coverage: 4:213/218 of query aligns to 3:213/219 of 1z4nA

query
sites
1z4nA

K

K

A

A

F

V

I

L

F

F

D
|
D

L
|
L

D
|
D

G

G

V

V

I

I

V

T

D

D

T
|
T

A

A

K

E

Y

Y

H
|
H

Y

F

L

R

A

A

W
|
W

Q

K

K

A

I

L

A

A

A

E

Q

E

L

I

G

G

I

I

D

N

-

G

F

V

T

D

H

R

E

Q

H

F

N

N

E

E

L

Q

L

L

K
|
K

G

G

V
|
V

S

S

R
|
R

V

E

R

D

S

S

L

L

E

Q

I

K

I

I

L

L

G

D

L

L

G

A

N

D

I

K

E

K

A

V

S

S

Q

A

E

E

D

E

K

F

D

K

K

E

W

L

L

A

V

K

E

R

K

K

N

N

E

D

D

N

Y

Y

L

V

G

K

Y

M

I

I

T

Q

N

D

M

V

K

S

E

P

D

A

E

D

I

V

L

Y

E

P

G

G

V

I

V

L

P

Q

V

L

L

L

D

K

F

D

L

L

K

R

E

S

N

N

G

K

Q

I

L

K

I

I

A

A

L

L

G

A

S
|
S

A
|
A

S
|
S

K
|
K

N
|
N

A

G

R

P

P

F

I

L

L

L

E

E

K

R

V

M

N

N

I

L

L

T

H

G

Y

Y

F

F

D

D

A

A

I

I

V

A

D

D

G

P

N

A

D

E

V

V

T

A

N

A

A

S

K
|
K

P

P

D

A

P

P

E

D

V

I

F

F

V

I

R

A

A

A

Q

H

L

A

L

V

G

G

K

V

T

A

A

P

Q

S

D

E

S

S

I

I

V

G

F

L

E
|
E

D
|
D

S

S

V

Q

A

A

G

G

V

I

Q

Q

A

A

A

I

N

K

I

D

A

S

N

G

M

A

V

L

S

P

V

I

G

G

I

V

G

G

H

R

K

P

D

E

I

D

L

L

N

G

E

D

A

D

R

I

F

V

N

I

F

V

N

P

D

D

F

T

T

S

E

H

I

Y

D

T

N

L

N

E

F

F

L

L

K

K

active site: D8 (= D9), L9 (= L10), D10 (= D11), T16 (= T17), K45 (= K45), S114 (= S114), A115 (= A115), K145 (= K145), E169 (= E169), D170 (= D170)
binding 1-O-phosphono-alpha-D-galactopyranose: H20 (= H21), W24 (= W25), V47 (= V47), R49 (= R49), S116 (= S116), K117 (= K117), N118 (= N118)
binding magnesium ion: D8 (= D9), D10 (= D11), E169 (= E169), D170 (= D170)

5olwA 5-fluorotryptophan labeled beta-phosphoglucomutase in an open conformation (see paper)
39% identity, 96% coverage: 4:213/218 of query aligns to 3:213/224 of 5olwA

query
sites
5olwA

K

K

A

A

F

V

I

L

F

F

D
|
D

L
|
L

D
|
D

G

G

V

V

I

I

V

T

D

D

T
|
T

A

A

K

E

Y

Y

H

H

Y

F

L

R

A

A

W

W

Q

K

K

A

I

L

A

A

A

E

Q

E

L

I

G

G

I

I

D

N

-

G

F

V

T

D

H

R

E

Q

H

F

N

N

E

E

L

Q

L

L

K
|
K

G

G

V

V

S

S

R

R

V

E

R

D

S

S

L

L

E

Q

I

K

I

I

L

L

G

D

L

L

G

A

N

D

I

K

E

K

A

V

S

S

Q

A

E

E

D

E

K

F

D

K

K

E

W

L

L

A

V

K

E

R

K

K

N

N

E

D

D

N

Y

Y

L

V

G

K

Y

M

I

I

T

Q

N

D

M

V

K

S

E
x
P

D

A

E

D

I
x
V

L

Y

E

P

G

G

V

I

V

L

P

Q

V

L

L

L

D

K

F

D

L

L

K

R

E

S

N

N

G

K

Q

I

L

K

I

I

A

A

L

L

G

A

S
|
S

A
|
A

S

S

K

K

N

N

A

G

R

P

P

F

I

L

L

L

E
|
E

K

R

V

M

N
|
N

I

L

L

T

H

G

Y

Y

F

F

D

D

A

A

I

I

V

A

D

D

G

P

N

A

D

E

V

V

T

A

N

A

A

S

K
|
K

P

P

D

A

P

P

E

D

V

I

F

F

V

I

R

A

A

A

Q

H

L

A

L

V

G

G

K

V

T

A

A

P

Q

S

D

E

S

S

I

I

V

G

F

L

E
|
E

D
|
D

S
|
S

V

Q

A

A

G

G

V

I

Q

Q

A

A

A

I

N

K

I

D

A

S

N

G

M

A

V

L

S

P

V

I

G

G

I

V

G

G

H

R

K

P

D

E

I

D

L

L

N

G

E

D

A

D

R

I

F

V

N

I

F

V

N

P

D

D

F

T

T

S

E

H

I

Y

D

T

N

L

N

E

F

F

L

L

K

K

active site: D8 (= D9), L9 (= L10), D10 (= D11), T16 (= T17), K45 (= K45), S114 (= S114), A115 (= A115), K145 (= K145), E169 (= E169), D170 (= D170)
binding calcium ion: D8 (= D9), D10 (= D11), P89 (≠ E89), V92 (≠ I92), E124 (= E124), N127 (= N127), E169 (= E169), D170 (= D170), S171 (= S171)

5ok0A Structure of the d10n mutant of beta-phosphoglucomutase from lactococcus lactis trapped with native reaction intermediate beta- glucose 1,6-bisphosphate to 2.2a resolution.
39% identity, 96% coverage: 4:213/218 of query aligns to 3:213/218 of 5ok0A

query
sites
5ok0A

K

K

A

A

F

V

I

L

F

F

D
|
D

L
|
L

D
x
N

G

G

V

V

I

I

V

T

D

D

T
|
T

A

A

K

E

Y

Y

H
|
H

Y

F

L

R

A

A

W

W

Q

K

K

A

I

L

A

A

A

E

Q

E

L

I

G

G

I
|
I

D
x
N

-
x
G

F
x
V

T

D

H

R

E

Q

H

F

N

N

E

E

L

Q

L
|
L

K
|
K

G

G

V
|
V

S

S

R
|
R

V

E

R

D

S

S

L

L

E

Q

I

K

I

I

L

L

G

D

L

L

G

A

N

D

I

K

E

K

A

V

S

S

Q

A

E

E

D

E

K

F

D

K

K

E

W

L

L

A

V

K

E

R

K

K

N

N

E

D

D

N

Y

Y

L

V

G

K

Y

M

I

I

T

Q

N

D

M

V

K

S

E

P

D

A

E

D

I

V

L

Y

E

P

G

G

V

I

V

L

P

Q

V

L

L

L

D

K

F

D

L

L

K

R

E

S

N

N

G

K

Q

I

L

K

I

I

A

A

L

L

G

A

S
|
S

A
|
A

S
|
S

K

K

N

N

A

G

R

P

P

F

I

L

L

L

E

E

K

R

V

M

N

N

I

L

L

T

H

G

Y

Y

F

F

D

D

A

A

I

I

V

A

D

D

G

P

N

A

D

E

V

V

T

A

N

A

A

S

K
|
K

P

P

D

A

P

P

E

D

V

I

F

F

V

I

R

A

A

A

Q

H

L

A

L

V

G

G

K

V

T

A

A

P

Q

S

D

E

S

S

I

I

V

G

F

L

E
|
E

D
|
D

S

S

V

Q

A

A

G

G

V

I

Q

Q

A

A

A

I

N

K

I

D

A

S

N

G

M

A

V

L

S

P

V

I

G

G

I

V

G

G

H

R

K

P

D

E

I

D

L

L

N

G

E

D

A

D

R

I

F

V

N

I

F

V

N

P

D

D

F

T

T

S

E

H

I

Y

D

T

N

L

N

E

F

F

L

L

K

K

active site: D8 (= D9), L9 (= L10), N10 (≠ D11), T16 (= T17), K45 (= K45), S114 (= S114), A115 (= A115), K145 (= K145), E169 (= E169), D170 (= D170)
binding 1,6-di-O-phosphono-beta-D-glucopyranose: D8 (= D9), L9 (= L10), N10 (≠ D11), H20 (= H21), L44 (= L44), V47 (= V47), R49 (= R49), S114 (= S114), A115 (= A115), S116 (= S116)
binding magnesium ion: D8 (= D9), N10 (≠ D11), D170 (= D170)
binding 1,3-propandiol: I33 (= I34), N34 (≠ D35), G35 (vs. gap), V36 (≠ F36)

5o6rA Structure of beta-phosphoglucomutase d10n mutant in complex with glucose-1-phosphate and aluminium tetrafluoride
39% identity, 96% coverage: 4:213/218 of query aligns to 3:213/218 of 5o6rA

query
sites
5o6rA

K

K

A

A

F

V

I

L

F

F

D
|
D

L
|
L

D
x
N

G

G

V

V

I

I

V

T

D

D

T
|
T

A

A

K

E

Y

Y

H
|
H

Y

F

L

R

A

A

W
|
W

Q

K

K

A

I

L

A

A

A

E

Q

E

L

I

G

G

I

I

D

N

-

G

F

V

T

D

H

R

E

Q

H

F

N

N

E

E

L

Q

L
|
L

K
|
K

G
|
G

V
|
V

S

S

R
|
R

V

E

R

D

S
|
S

L

L

E

Q

I

K

I

I

L

L

G

D

L

L

G

A

N

D

I

K

E

K

A

V

S

S

Q

A

E

E

D

E

K

F

D

K

K

E

W

L

L

A

V

K

E

R

K

K

N

N

E

D

D

N

Y

Y

L

V

G

K

Y

M

I

I

T

Q

N

D

M

V

K

S

E

P

D

A

E

D

I

V

L

Y

E

P

G

G

V

I

V

L

P

Q

V

L

L

L

D

K

F

D

L

L

K

R

E

S

N

N

G

K

Q

I

L

K

I

I

A

A

L

L

G

A

S
|
S

A
|
A

S
|
S

K
|
K

N
|
N

A

G

R

P

P

F

I

L

L

L

E

E

K

R

V

M

N

N

I

L

L

T

H

G

Y

Y

F

F

D

D

A

A

I

I

V

A

D

D

G

P

N

A

D

E

V

V

T

A

N

A

A

S

K
|
K

P

P

D

A

P

P

E

D

V

I

F

F

V

I

R

A

A

A

Q

H

L

A

L

V

G

G

K

V

T

A

A

P

Q

S

D

E

S

S

I

I

V

G

F

L

E
|
E

D
|
D

S

S

V

Q

A

A

G

G

V

I

Q

Q

A

A

A

I

N

K

I

D

A

S

N

G

M

A

V

L

S

P

V

I

G

G

I

V

G

G

H

R

K

P

D

E

I

D

L

L

N

G

E

D

A

D

R

I

F

V

N

I

F

V

N

P

D

D

F

T

T

S

E

H

I

Y

D

T

N

L

N

E

F

F

L

L

K

K

active site: D8 (= D9), L9 (= L10), N10 (≠ D11), T16 (= T17), K45 (= K45), S114 (= S114), A115 (= A115), K145 (= K145), E169 (= E169), D170 (= D170)
binding tetrafluoroaluminate ion: D8 (= D9), L9 (= L10), N10 (≠ D11), G46 (= G46), S114 (= S114), K145 (= K145)
binding magnesium ion: D8 (= D9), N10 (≠ D11), D170 (= D170)
binding 1-O-phosphono-beta-D-glucopyranose: H20 (= H21), W24 (= W25), L44 (= L44), V47 (= V47), R49 (= R49), S52 (= S52), S116 (= S116), K117 (= K117), N118 (= N118)

8q1dA D10n variant of beta-phosphoglucomutase from lactococcus lactis in complex with fructose 1,6-bisphosphate (see paper)
39% identity, 96% coverage: 4:213/218 of query aligns to 3:213/221 of 8q1dA

query
sites
8q1dA

K

K

A

A

F

V

I

L

F

F

D
|
D

L
|
L

D
x
N

G

G

V

V

I

I

V

T

D

D

T

T

A

A

K

E

Y

Y

H

H

Y

F

L

R

A

A

W

W

Q

K

K

A

I

L

A

A

A

E

Q

E

L

I

G

G

I

I

D

N

-

G

F

V

T

D

H

R

E

Q

H

F

N

N

E

E

L

Q

L

L

K
|
K

G

G

V
|
V

S
|
S

R
|
R

V

E

R

D

S

S

L

L

E

Q

I

K

I

I

L

L

G

D

L

L

G

A

N

D

I

K

E

K

A

V

S

S

Q

A

E

E

D

E

K

F

D

K

K

E

W

L

L

A

V

K

E

R

K

K

N

N

E

D

D

N

Y

Y

L

V

G

K

Y

M

I

I

T

Q

N

D

M

V

K

S

E

P

D

A

E

D

I

V

L

Y

E

P

G

G

V

I

V

L

P

Q

V

L

L

L

D

K

F

D

L

L

K

R

E

S

N

N

G

K

Q

I

L

K

I

I

A

A

L

L

G

A

S
|
S

A
|
A

S
|
S

K
|
K

N

N

A

G

R

P

P

F

I

L

L

L

E

E

K

R

V

M

N

N

I

L

L

T

H

G

Y

Y

F

F

D

D

A

A

I

I

V

A

D

D

G

P

N

A

D

E

V

V

T

A

N

A

A

S

K

K

P

P

D

A

P

P

E

D

V

I

F

F

V

I

R

A

A

A

Q

H

L

A

L

V

G

G

K

V

T

A

A

P

Q

S

D

E

S

S

I

I

V

G

F

L

E

E

D
|
D

S

S

V

Q

A

A

G

G

V

I

Q

Q

A

A

A

I

N

K

I

D

A

S

N

G

M

A

V

L

S

P

V

I

G

G

I

V

G

G

H

R

K

P

D

E

I

D

L

L

N

G

E

D

A

D

R

I

F

V

N

I

F

V

N

P

D

D

F

T

T

S

E

H

I

Y

D

T

N

L

N

E

F

F

L

L

K

K

binding 1,6-di-O-phosphono-beta-D-fructofuranose: D8 (= D9), L9 (= L10), N10 (≠ D11), K45 (= K45), V47 (= V47), S48 (= S48), R49 (= R49), S114 (= S114), A115 (= A115), S116 (= S116), K117 (= K117)
binding magnesium ion: D8 (= D9), N10 (≠ D11), D170 (= D170)

5o6pA Structure of beta-phosphoglucomutase d10n mutant in complex with glucose-1,6-bisphosphate
41% identity, 86% coverage: 4:190/218 of query aligns to 2:189/209 of 5o6pA

query
sites
5o6pA

K

K

A

A

F

V

I

L

F

F

D
|
D

L
|
L

D
x
N

G

G

V

V

I

I

V

T

D

D

T
|
T

A

A

K

E

Y

Y

H
|
H

Y

F

L

R

A

A

W

W

Q

K

K

A

I

L

A

A

A

E

Q

E

L

I

G

G

I

I

D

N

-

G

F

V

T

D

H

R

E

Q

H

F

N

N

E

E

L

Q

L
|
L

K
|
K

G
|
G

V
|
V

S

S

R
|
R

V

E

R

D

S

S

L

L

E

Q

I

K

I

I

L

L

G

D

L

L

G

A

N

D

I

K

E

K

A

V

S

S

Q

A

E

E

D

E

K

F

D

K

K

E

W

L

L

A

V

K

E

R

K

K

N

N

E

D

D

N

Y

Y

L

V

G

K

Y

M

I

I

T

Q

N

D

M

V

K

S

E

P

D

A

E

D

I

V

L

Y

E

P

G

G

V

I

V

L

P

Q

V

L

L

L

D

K

F

D

L

L

K

R

E

S

N

N

G

K

Q

I

L

K

I

I

A

A

L

L

G

A

S
|
S

A
|
A

S
|
S

K
|
K

N

N

A

G

R

P

P

F

I

L

L

L

E

E

K

R

V

M

N

N

I

L

L

T

H

G

Y

Y

F

F

D

D

A

A

I

I

V

A

D

D

G

P

N

A

D

E

V

V

T

A

N

A

A

S

K
|
K

P

P

D

A

P

P

E

D

V

I

F

F

V

I

R

A

A

A

Q

H

L

A

L

V

G

G

K

V

T

A

A

P

Q

S

D

E

S

S

I

I

V

G

F

L

E
|
E

D
|
D

S

S

V

Q

A

A

G

G

V

I

Q

Q

A

A

A

I

N

K

I

D

A

S

N

G

M

A

V

L

S

P

V

I

G

G

I

V

G

G

H

R

active site: D7 (= D9), L8 (= L10), N9 (≠ D11), T15 (= T17), K44 (= K45), S113 (= S114), A114 (= A115), K144 (= K145), E168 (= E169), D169 (= D170)
binding 1,6-di-O-phosphono-beta-D-glucopyranose: D7 (= D9), L8 (= L10), N9 (≠ D11), H19 (= H21), L43 (= L44), K44 (= K45), G45 (= G46), V46 (= V47), R48 (= R49), S113 (= S114), A114 (= A115), S115 (= S116), K116 (= K117), K144 (= K145)
binding magnesium ion: D7 (= D9), N9 (≠ D11), D169 (= D170)

4c4sA Structure of beta-phosphoglucomutase in complex with an alpha- fluorophosphonate analogue of beta-glucose-1-phosphate and magnesium trifluoride (see paper)
39% identity, 96% coverage: 4:213/218 of query aligns to 3:210/215 of 4c4sA

query
sites
4c4sA

K

K

A

A

F

V

I

L

F

F

D
|
D

L
|
L

D
|
D

G

G

V

V

I

I

V

T

D

D

T
|
T

A

A

K

E

Y

Y

H
|
H

Y

F

L

R

A

A

W
|
W

Q

K

K

A

I

L

A

A

A

E

Q

E

L

I

G

G

I

I

D

N

-

G

F

V

T

D

H

R

E

Q

H

F

N

N

E

E

L

Q

L
|
L

K
|
K

G
|
G

V
|
V

S

S

R
|
R

V

E

R

D

S

S

L

L

E

Q

I

K

I

I

L

L

G

-

L

-

G

-

N

D

I

L

E

K

A

V

S

S

Q

A

E

E

D

E

K

F

D

K

K

E

W

L

L

A

V

K

E

R

K

K

N

N

E

D

D

N

Y

Y

L

V

G

K

Y

M

I

I

T

Q

N

D

M

V

K

S

E

P

D

A

E

D

I

V

L

Y

E

P

G

G

V

I

V

L

P

Q

V

L

L

L

D

K

F

D

L

L

K

R

E

S

N

N

G

K

Q

I

L

K

I

I

A

A

L

L

G

A

S
|
S

A
|
A

S
|
S

K

K

N

N

A

G

R

P

P

F

I

L

L

L

E

E

K

R

V

M

N

N

I

L

L

T

H

G

Y

Y

F

F

D

D

A

A

I

I

V

A

D

D

G

P

N

A

D

E

V

V

T

A

N

A

A

S

K
|
K

P

P

D

A

P

P

E

D

V

I

F

F

V

I

R

A

A

A

Q

H

L

A

L

V

G

G

K

V

T

A

A

P

Q

S

D

E

S

S

I

I

V

G

F

L

E
|
E

D
|
D

S

S

V

Q

A

A

G

G

V

I

Q

Q

A

A

A

I

N

K

I

D

A

S

N

G

M

A

V

L

S

P

V

I

G

G

I

V

G

G

H

R

K

P

D

E

I

D

L

L

N

G

E

D

A

D

R

I

F

V

N

I

F

V

N

P

D

D

F

T

T

S

E

H

I

Y

D

T

N

L

N

E

F

F

L

L

K

K

active site: D8 (= D9), L9 (= L10), D10 (= D11), T16 (= T17), K45 (= K45), S111 (= S114), A112 (= A115), K142 (= K145), E166 (= E169), D167 (= D170)
binding (1R)-1,5-anhydro-1-[(S)-fluoro(phosphono)methyl]-D-glucitol: D10 (= D11), H20 (= H21), W24 (= W25), L44 (= L44), G46 (= G46), V47 (= V47), R49 (= R49), S113 (= S116)
binding magnesium ion: D8 (= D9), D10 (= D11), D167 (= D170)
binding trifluoromagnesate: D8 (= D9), L9 (= L10), D10 (= D11), S111 (= S114), A112 (= A115), K142 (= K145)

8q1cA Substrate-free d10n,p146a variant of beta-phosphoglucomutase from lactococcus lactis (see paper)
38% identity, 96% coverage: 4:213/218 of query aligns to 3:213/219 of 8q1cA

query
sites
8q1cA

K

K

A

A

F

V

I

L

F

F

D
|
D

L

L

D
x
N

G

G

V

V

I

I

V

T

D

D

T

T

A

A

K

E

Y

Y

H

H

Y

F

L

R

A

A

W

W

Q

K

K

A

I

L

A

A

A

E

Q

E

L

I

G

G

I

I

D

N

-

G

F

V

T

D

H

R

E

Q

H

F

N

N

E

E

L

Q

L

L

K

K

G

G

V

V

S

S

R
|
R

V

E

R

D

S

S

L

L

E

Q

I

K

I

I

L

L

G

D

L

L

G

A

N

D

I

K

E

K

A

V

S

S

Q

A

E

E

D

E

K

F

D

K

K

E

W

L

L

A

V

K

E

R

K

K

N

N

E

D

D

N

Y

Y

L

V

G

K

Y

M

I

I

T

Q

N

D

M

V

K

S

E

P

D

A

E

D

I

V

L

Y

E

P

G

G

V

I

V

L

P

Q

V

L

L

L

D

K

F

D

L

L

K

R

E

S

N

N

G

K

Q

I

L

K

I

I

A

A

L

L

G

A

S

S

A

A

S

S

K
|
K

N

N

A

G

R

P

P

F

I

L

L

L

E

E

K

R

V

M

N

N

I

L

L

T

H

G

Y

Y

F

F

D

D

A

A

I

I

V

A

D

D

G

P

N

A

D

E

V

V

T

A

N

A

A

S

K

K

P

A

D

A

P

P

E

D

V

I

F

F

V

I

R

A

A

A

Q

H

L

A

L

V

G

G

K

V

T

A

A

P

Q

S

D

E

S

S

I

I

V

G

F

L

E

E

D
|
D

S

S

V

Q

A

A

G

G

V

I

Q

Q

A

A

A

I

N

K

I

D

A

S

N

G

M

A

V

L

S

P

V

I

G

G

I

V

G

G

H

R

K

P

D

E

I

D

L

L

N

G

E

D

A

D

R

I

F

V

N

I

F

V

N

P

D

D

F

T

T

S

E

H

I

Y

D

T

N

L

N

E

F

F

L

L

K

K

binding magnesium ion: D8 (= D9), N10 (≠ D11), D170 (= D170)
binding phosphate ion: R49 (= R49), K117 (= K117)

Query Sequence

>WP_035135983.1 NCBI__GCF_000769915.1:WP_035135983.1
MKQKAFIFDLDGVIVDTAKYHYLAWQKIAAQLGIDFTHEHNELLKGVSRVRSLEIILGLG
NIEASQEDKDKWLVEKNEDYLGYITNMKEDEILEGVVPVLDFLKENGQLIALGSASKNAR
PILEKVNILHYFDAIVDGNDVTNAKPDPEVFVRAAQLLGKTAQDSIVFEDSVAGVQAANI
ANMVSVGIGHKDILNEARFNFNDFTEIDNNFLKTLVNE

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