SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_055436940.1 NCBI__GCF_001418085.1:WP_055436940.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

6q90C Structure of human galactokinase 1 bound with 1-(4-methoxyphenyl)-3- (4-pyridinyl)urea
35% identity, 94% coverage: 4:365/386 of query aligns to 11:377/391 of 6q90C

query
sites
6q90C

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binding beta-D-galactopyranose: E43 (= E35), H44 (= H36), D46 (= D38), Y47 (= Y39), G182 (= G170), D185 (= D173)
binding 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one: R104 (vs. gap), W105 (= W91), Y108 (= Y94), L134 (≠ G122), S140 (= S128), L144 (= L132)
binding N-(4-methoxyphenyl)-N'-pyridin-4-ylurea: L212 (≠ I200), D214 (≠ F202), P215 (≠ K203), L217 (≠ Y205), L354 (= L342)

Sites not aligning to the query:

binding N-(4-methoxyphenyl)-N'-pyridin-4-ylurea: 381

6q8zA Structure of human galactokinase 1 bound with n-(cyclobutylmethyl)-1, 5-dimethyl-1h-pyrazole-4-carboxamide
35% identity, 94% coverage: 4:365/386 of query aligns to 11:378/392 of 6q8zA

query
sites
6q8zA

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binding beta-D-galactopyranose: E43 (= E35), H44 (= H36), D46 (= D38), Y47 (= Y39), G183 (= G170), M185 (= M172), D186 (= D173), Y236 (= Y223), G345 (= G332), G346 (= G333)
binding 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one: R105 (vs. gap), Y109 (= Y94), V129 (≠ F116), L135 (≠ G122), G136 (= G123), S141 (= S128), S142 (= S129)
binding ~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide: L13 (≠ V6), A31 (≠ I23), V32 (= V24), S33 (≠ F25)

Sites not aligning to the query:

binding ~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide: 9, 388, 390

6qjeA Structure of human galactokinase 1 bound with 4-{[2-(methylsulfonyl)- 1h-imidazol-1-yl]methyl}-1,3-thiazole
35% identity, 94% coverage: 4:365/386 of query aligns to 9:376/390 of 6qjeA

query
sites
6qjeA

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binding beta-D-galactopyranose: E41 (= E35), H42 (= H36), D44 (= D38), Y45 (= Y39), G181 (= G170), M183 (= M172), D184 (= D173), Y234 (= Y223), G344 (= G333)
binding 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one: S77 (vs. gap), Y107 (= Y94), V127 (≠ F116), S129 (≠ G118), L133 (≠ G122), S139 (= S128), S140 (= S129), R226 (≠ K215)
binding 4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole: R103 (vs. gap), A176 (= A165), G177 (= G166)

7s4cA Crystal structure of inhibitor-bound galactokinase (see paper)
35% identity, 94% coverage: 4:365/386 of query aligns to 10:377/391 of 7s4cA

query
sites
7s4cA

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|
D

Y
|
Y

N

N

D

Q

G

G

F

L

A

V

F

L

P

P

A
x
M

A

A

I

L

N

E

K

L

G

M

I

T

A

V

L

L

A

V

I

G

S

S

K

P

S

R

T

K

S

D

N

G

V

L

S

V

S

S

V

L

Y

L

A

T

L

T

-

S

-

E

-

G

-

A

N
x
D

K

E

E

P

E

Q

I

R

Y

L

A

Q

F

F

D

P

T

L

T

P

K

T

I

A

K

Q

P

R

L

S

V

L

D

E

G

P

G

G

-

T

-

P

-
x
R

W
|
W

R

A

N

N

Y
|
Y

V

V

I

K

G

G

V

V

V

I

A

Q

E

Y

L

Y

Q

P

M

-

L

-

G

A

K

A

Q

P

I

L

G

P

S

G

F

F

D

S

S

A

V

V

F

V

A

V

G

S

N

S

I

V

P

P

G
x
L

G
|
G

A

G

G
|
G

M

L

S
|
S

S
|
S

S
|
S

A

A

A

S

L
|
L

E

E

N

V

S

A

F

T

V

Y

Y

T

G

F

L

L

N

Q

D

Q

L

L

F

C

D

P

L

D

G

S

L

G

T

T

K

I

H

A

Q

A

M

R

I

A

L

Q

V

V

S

C

Q

Q

K
x
Q

A

A

E

E

H
|
H

N

S

F

F

A

A

G

G

V

M

K

P

C

C

G
|
G

I

I

M

M

D
|
D

Q

Q

Y

F

A

I

S

S

M

L

F

M

G

G

I

Q

K
|
K

K

G

S

H

A

A

L

L

L

L

L

I

D

D

C

C

R

R

T

S

V

L

E

E

S

T

E

S

P

L

Y

V

K

P

I
x
L

D

S

F
x
D

K

P

D

K

Y
x
L

K
x
A

L
x
V

M

L

L

I

I

T

N

N

S

S

N

N

V

V

K

R

H

H

D

S

L

L

S

A

E

S

S

S

A

E

Y
|
Y

N

P

D

V

R

R

R

R

E

R

V

Q

C

C

E

E

R

E

V

V

S

A

E

R

L

A

L

L

H

G

L

A

D

A

A

S

L

L

R

R

D

E

A

V

S

Q

K

L

E

E

D

E

L

L

D

E

R

A

I

A

K

R

T

D

D

L

I

V

S

S

E

K

E

E

D

G

Y

F

Q

R

K

R

A

A

L

R

Y

H

V

V

I

V

N

G

E

E

N

I

N

R

R

R

V

T

K

A

Q

Q

F

A

S

A

E

A

A

A

I
x
L

K

R

K

R

D

G

D

D

I

Y

E

R

A

A

L
x
F

G

G

D

R

L

L

L

M

Y

V

Q

E

S

S

H

H

E

R

G

S

L

L

S

R

T

D

N

D

Y

Y

K

E

V

V

S

S

C

C

K

P

E

E

L

L

D

D

F

Q

L

L

V

V

D

E

R

A

A

A

K

L

E

A

N

V

T

P

N

G

V

V

L

Y

G

G

A

S

R

R

M

M

M

T

G

G

G
|
G

G

G

F

F

G

G

G

G

C

C

T

T

I

V

N

T

L
|
L

V

L

K

E

K

A

D

S

E

A

F

A

K

P

K
x
H

F

A

K

M

K

R

E
x
H

V

I

A

Q

K
x
E

K

H

F

Y

R

G

A

G

T

T

F

A

E

T

Y

F

binding alpha-D-galactopyranose: E42 (= E35), H43 (= H36), D45 (= D38), Y46 (= Y39), G182 (= G170), D185 (= D173), Y235 (= Y223), G345 (= G333)
binding phosphate ion: G135 (= G123), G137 (= G125), S139 (= S127), S140 (= S128), S141 (= S129), Q171 (≠ K159), H174 (= H162), H362 (≠ K350), H366 (≠ E354), E369 (≠ K357)
binding 2-({(4R)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid: M54 (≠ A47), D82 (≠ N71), R104 (vs. gap), W105 (= W91), Y108 (= Y94), L134 (≠ G122), S140 (= S128), L144 (= L132), K194 (= K182), L212 (≠ I200), D214 (≠ F202), L217 (≠ Y205), A218 (≠ K206), V219 (≠ L207), L294 (≠ I282), F302 (≠ L290), L354 (= L342)

Sites not aligning to the query:

binding 2-({(4R)-4-(2-chlorophenyl)-2-[(6-fluoro-1,3-benzoxazol-2-yl)amino]-6-methyl-1,4-dihydropyrimidine-5-carbonyl}amino)pyridine-4-carboxylic acid: 380, 381, 382

7s49A Crystal structure of inhibitor-bound galactokinase (see paper)
35% identity, 94% coverage: 4:365/386 of query aligns to 10:377/391 of 7s49A

query
sites
7s49A

K

E

L

L

V

L

K

A

E

E

V

A

K

R

Q

R

S

A

F

F

K

R

E

E

H

E

F

F

R

G

T

A

K

E

P

P

-

E

L

L

I

A

V

V

F

S

S

A

P

P

G

G

R

R

I

V

N

N

L

L

I

I

G

G

E
|
E

H
|
H

T

T

D
|
D

Y
|
Y

N

N

D

Q

G

G

F

L

A

V

F

L

P

P

A

M

A

A

I

L

N

E

K

L

G

M

I

T

A

V

L

L

A

V

I

G

S

S

K

P

S

R

T

K

S

D

N

G

V

L

S

V

S

S

V

L

Y

L

A

T

L

T

-
x
S

-

E

-

G

-

A

N
x
D

K

E

E

P

E

Q

I

R

Y

L

A

Q

F

F

D

P

T

L

T

P

K

T

I

A

K

Q

P

R

L

S

V

L

D

E

G

P

G

G

-

T

-

P

-
x
R

W
|
W

R

A

N

N

Y
|
Y

V

V

I

K

G

G

V

V

V

I

A

Q

E

Y

L

Y

Q

P

M

-

L

-

G

A

K

A

Q

P

I

L

G

P

S

G

F

F

D

S

S

A

V

V

F
x
V

A

V

G

S

N

S

I

V

P

P

G
x
L

G
|
G

A

G

G
|
G

M

L

S
|
S

S
|
S

S
|
S

A

A

A

S

L
|
L

E

E

N

V

S

A

F

T

V

Y

Y

T

G

F

L

L

N

Q

D

Q

L

L

F

C

D

P

L

D

G

S

L

G

T

T

K

I

H

A

Q

A

M

R

I

A

L

Q

V

V

S

C

Q

Q

K
x
Q

A

A

E

E

H
|
H

N

S

F

F

A

A

G

G

V

M

K

P

C

C

G
|
G

I

I

M

M

D
|
D

Q

Q

Y

F

A

I

S

S

M

L

F

M

G

G

I

Q

K

K

K

G

S

H

A

A

L

L

L

L

L

I

D

D

C

C

R

R

T

S

V

L

E

E

S

T

E

S

P

L

Y

V

K

P

I

L

D

S

F

D

K

P

D

K

Y

L

K

A

L

V

M

L

L

I

I

T

N

N

S

S

N

N

V

V

K
x
R

H

H

D

S

L

L

S

A

E

S

S

S

A

E

Y
|
Y

N

P

D

V

R

R

R

R

E

R

V

Q

C

C

E

E

R

E

V

V

S

A

E

R

L

A

L

L

H

G

L

A

D

A

A

S

L

L

R

R

D

E

A

V

S

Q

K

L

E

E

D

E

L

L

D

E

R

A

I

A

K

R

T

D

D

L

I

V

S

S

E

K

E

E

D

G

Y

F

Q

R

K

R

A

A

L

R

Y

H

V

V

I

V

N

G

E

E

N

I

N

R

R

R

V

T

K

A

Q

Q

F

A

S

A

E

A

A

A

I

L

K

R

K

R

D

G

D

D

I

Y

E

R

A

A

L

F

G

G

D

R

L

L

L

M

Y

V

Q

E

S

S

H

H

E

R

G

S

L

L

S

R

T

D

N

D

Y

Y

K

E

V

V

S

S

C

C

K

P

E

E

L

L

D

D

F

Q

L

L

V

V

D

E

R

A

A

A

K

L

E

A

N

V

T

P

N

G

V

V

L

Y

G

G

A

S

R

R

M

M

M

T

G

G

G

G

G

G

F

F

G

G

G

G

C

C

T

T

I

V

N

T

L

L

V

L

K

E

K

A

D

S

E

A

F

A

K

P

K
x
H

F

A

K

M

K

R

E
x
H

V

I

A

Q

K

E

K

H

F

Y

R

G

A

G

T

T

F

A

E

T

Y

F

binding (4R)-2-[(1,3-benzoxazol-2-yl)amino]-4-(4-chloro-1H-pyrazol-5-yl)-4,6,7,8-tetrahydroquinazolin-5(1H)-one: S78 (vs. gap), D82 (≠ N71), R104 (vs. gap), W105 (= W91), Y108 (= Y94), V128 (≠ F116), L134 (≠ G122), S140 (= S128), S141 (= S129), L144 (= L132), R227 (≠ K215)
binding alpha-D-galactopyranose: E42 (= E35), H43 (= H36), D45 (= D38), Y46 (= Y39), G182 (= G170), D185 (= D173), Y235 (= Y223)
binding phosphate ion: G135 (= G123), G137 (= G125), S139 (= S127), S140 (= S128), S141 (= S129), Q171 (≠ K159), H174 (= H162), H362 (≠ K350), H366 (≠ E354)

7rclA Crystal structure of adp-bound galactokinase (see paper)
35% identity, 94% coverage: 4:365/386 of query aligns to 10:377/391 of 7rclA

query
sites
7rclA

K

E

L

L

V

L

K

A

E

E

V

A

K

R

Q

R

S

A

F

F

K

R

E

E

H

E

F

F

R

G

T

A

K

E

P

P

-

E

L

L

I

A

V

V

F

S

S

A

P

P

G

G

R

R

I

V

N

N

L

L

I

I

G

G

E
|
E

H
|
H

T

T

D
|
D

Y
|
Y

N

N

D

Q

G

G

F

L

A

V

F

L

P

P

A

M

A

A

I

L

N

E

K

L

G

M

I

T

A

V

L

L

A

V

I

G

S

S

K

P

S

R

T

K

S

D

N

G

V

L

S

V

S

S

V

L

Y

L

A
x
T

L

T

-
x
S

-

E

-

G

-

A

N

D

K

E

E

P

E

Q

I

R

Y

L

A

Q

F

F

D

P

T

L

T

P

K

T

I

A

K

Q

P

R

L

S

V

L

D

E

G

P

G

G

-

T

-

P

-

R

W
|
W

R

A

N

N

Y
|
Y

V

V

I

K

G

G

V

V

V

I

A

Q

E

Y

L

Y

Q

P

M

-

L

-

G

A

K

A

Q

P

I

L

G

P

S

G

F

F

D

S

S

A

V

V

F

V

A

V

G

S

N

S

I

V

P

P

G

L

G
|
G

A

G

G
|
G

M

L

S
|
S

S
|
S

S
|
S

A

A

A

S

L
|
L

E

E

N

V

S

A

F

T

V

Y

Y

T

G

F

L

L

N

Q

D

Q

L

L

F

C

D

P

L

D

G

S

L

G

T

T

K

I

H

A

Q

A

M

R

I

A

L

Q

V

V

S

C

Q

Q

K

Q

A

A

E

E

H

H

N

S

F

F

A

A

G

G

V

M

K

P

C
|
C

G
|
G

I

I

M
|
M

D
|
D

Q

Q

Y

F

A

I

S

S

M

L

F

M

G

G

I

Q

K

K

K

G

S

H

A

A

L

L

L

L

L

I

D

D

C

C

R

R

T

S

V

L

E

E

S

T

E

S

P

L

Y

V

K

P

I

L

D

S

F

D

K

P

D

K

Y

L

K

A

L

V

M

L

L

I

I

T

N

N

S

S

N

N

V

V

K

R

H
|
H

D

S

L

L

S

A

E

S

S

S

A

E

Y
|
Y

N

P

D

V

R

R

R

R

E

R

V

Q

C

C

E

E

R

E

V

V

S

A

E

R

L

A

L

L

H

G

L

A

D

A

A

S

L

L

R

R

D

E

A

V

S

Q

K

L

E

E

D

E

L

L

D

E

R

A

I

A

K

R

T

D

D

L

I

V

S

S

E

K

E

E

D

G

Y

F

Q

R

K

R

A

A

L

R

Y

H

V

V

I

V

N

G

E

E

N

I

N

R

R

R

V

T

K

A

Q

Q

F

A

S

A

E

A

A

A

I

L

K

R

K

R

D

G

D

D

I

Y

E

R

A

A

L

F

G

G

D

R

L

L

L

M

Y

V

Q

E

S

S

H

H

E

R

G

S

L

L

S

R

T

D

N

D

Y

Y

K

E

V

V

S

S

C

C

K

P

E

E

L

L

D

D

F

Q

L

L

V

V

D

E

R

A

A

A

K

L

E

A

N

V

T

P

N

G

V

V

L

Y

G

G

A

S

R

R

M

M

M

T

G

G

G

G

G

G

F

F

G

G

G

G

C

C

T

T

I

V

N

T

L

L

V

L

K

E

K

A

D

S

E

A

F

A

K

P

K
x
H

F

A

K

M

K

R

E
x
H

V

I

A

Q

K

E

K

H

F

Y

R

G

A

G

T

T

F

A

E

T

Y

F

binding adenosine-5'-diphosphate: T76 (≠ A69), S78 (vs. gap), W105 (= W91), Y108 (= Y94), G135 (= G123), G137 (= G125), S139 (= S127), S140 (= S128), S141 (= S129), L144 (= L132), H228 (= H216)
binding alpha-D-galactopyranose: E42 (= E35), H43 (= H36), D45 (= D38), Y46 (= Y39), C181 (= C169), G182 (= G170), M184 (= M172), D185 (= D173), Y235 (= Y223)
binding phosphate ion: H362 (≠ K350), H366 (≠ E354)

7ozxB Structure of human galactokinase 1 bound with azepan-1-yl(2,6- difluorophenyl)methanone
35% identity, 94% coverage: 4:365/386 of query aligns to 10:377/391 of 7ozxB

query
sites
7ozxB

K

E

L

L

V
x
L

K

A

E

E

V

A

K

R

Q

R

S

A

F

F

K

R

E

E

H

E

F

F

R

G

T

A

K

E

P

P

-

E

L

L

I

A

V

V

F
x
S

S

A

P

P

G

G

R

R

I

V

N

N

L

L

I

I

G

G

E
|
E

H
|
H

T

T

D
|
D

Y
|
Y

N

N

D

Q

G

G

F

L

A

V

F

L

P

P

A

M

A

A

I

L

N

E

K

L

G

M

I

T

A

V

L

L

A

V

I

G

S

S

K

P

S

R

T

K

S

D

N

G

V

L

S

V

S

S

V

L

Y

L

A

T

L

T

-
x
S

-

E

-

G

-

A

N
x
D

K

E

E

P

E

Q

I

R

Y

L

A

Q

F

F

D

P

T

L

T

P

K

T

I

A

K

Q

P

R

L

S

V

L

D

E

G

P

G

G

-

T

-

P

-
x
R

W

W

R

A

N

N

Y
|
Y

V

V

I

K

G

G

V

V

V

I

A

Q

E

Y

L

Y

Q

P

M

-

L

-

G

A

K

A

Q

P

I

L

G

P

S

G

F

F

D

S

S

A

V

V

F

V

A

V

G
x
S

N

S

I

V

P

P

G
x
L

G

G

A

G

G

G

M

L

S

S

S
|
S

S
|
S

A

A

A

S

L
|
L

E

E

N

V

S

A

F

T

V

Y

Y

T

G

F

L

L

N

Q

D

Q

L

L

F

C

D

P

L

D

G

S

L

G

T

T

K

I

H

A

Q

A

M

R

I

A

L

Q

V

V

S

C

Q

Q

K

Q

A

A

E

E

H

H

N

S

F

F

A

A

G

G

V

M

K

P

C

C

G
|
G

I

I

M
|
M

D
|
D

Q

Q

Y

F

A

I

S

S

M

L

F

M

G

G

I

Q

K

K

K

G

S

H

A

A

L

L

L

L

L

I

D

D

C

C

R

R

T

S

V

L

E

E

S

T

E

S

P

L

Y

V

K

P

I

L

D

S

F

D

K

P

D

K

Y

L

K

A

L

V

M

L

L

I

I

T

N

N

S

S

N

N

V

V

K

R

H

H

D

S

L

L

S

A

E

S

S

S

A

E

Y
|
Y

N

P

D

V

R

R

R

R

E

R

V

Q

C

C

E

E

R

E

V

V

S

A

E

R

L

A

L

L

H

G

L

A

D

A

A

S

L

L

R

R

D

E

A

V

S

Q

K

L

E

E

D

E

L

L

D

E

R

A

I

A

K

R

T

D

D

L

I

V

S

S

E

K

E

E

D

G

Y

F

Q

R

K

R

A

A

L

R

Y

H

V

V

I

V

N

G

E

E

N

I

N

R

R

R

V

T

K

A

Q

Q

F

A

S

A

E

A

A

A

I

L

K

R

K

R

D

G

D

D

I

Y

E

R

A

A

L

F

G

G

D

R

L

L

L

M

Y

V

Q

E

S

S

H

H

E

R

G

S

L

L

S

R

T

D

N

D

Y

Y

K

E

V

V

S

S

C

C

K

P

E

E

L

L

D

D

F

Q

L

L

V

V

D

E

R

A

A

A

K

L

E

A

N

V

T

P

N

G

V

V

L

Y

G

G

A

S

R

R

M

M

M

T

G

G

G
|
G

G

G

F

F

G

G

G

G

C

C

T

T

I

V

N

T

L

L

V

L

K

E

K

A

D

S

E

A

F

A

K

P

K

H

F

A

K

M

K

R

E

H

V

I

A

Q

K

E

K

H

F

Y

R

G

A

G

T

T

F

A

E

T

Y

F

binding beta-D-galactopyranose: E42 (= E35), H43 (= H36), D45 (= D38), Y46 (= Y39), G182 (= G170), M184 (= M172), D185 (= D173), Y235 (= Y223), G345 (= G333)
binding 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one: S78 (vs. gap), D82 (≠ N71), R104 (vs. gap), Y108 (= Y94), S130 (≠ G118), L134 (≠ G122), S140 (= S128), S141 (= S129), L144 (= L132)
binding (azepan-1-yl)(2,6-difluorophenyl)methanone: L12 (≠ V6), S32 (≠ F25)

Sites not aligning to the query:

binding (azepan-1-yl)(2,6-difluorophenyl)methanone: 8, 387, 389

6zgyA Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-n- (pyrimidin-2-yl)acetamide (see paper)
35% identity, 94% coverage: 4:365/386 of query aligns to 10:377/391 of 6zgyA

query
sites
6zgyA

K

E

L

L

V

L

K

A

E

E

V

A

K

R

Q

R

S

A

F

F

K

R

E

E

H

E

F

F

R

G

T

A

K

E

P

P

-

E

L

L

I

A

V

V

F

S

S

A

P

P

G

G

R

R

I

V

N

N

L

L

I

I

G

G

E
|
E

H
|
H

T

T

D
|
D

Y
|
Y

N

N

D

Q

G

G

F

L

A

V

F

L

P

P

A

M

A

A

I

L

N

E

K

L

G

M

I

T

A

V

L

L

A

V

I

G

S

S

K

P

S

R

T

K

S

D

N

G

V

L

S

V

S

S

V

L

Y

L

A

T

L

T

-

S

-

E

-

G

-

A

N
x
D

K

E

E

P

E

Q

I

R

Y

L

A

Q

F

F

D

P

T

L

T

P

K

T

I

A

K

Q

P

R

L

S

V

L

D

E

G

P

G

G

-

T

-

P

-
x
R

W
|
W

R

A

N

N

Y

Y

V

V

I

K

G

G

V

V

V

I

A

Q

E

Y

L

Y

Q

P

M

-

L

-

G

A

K

A

Q

P

I

L

G

P

S

G

F

F

D

S

S

A

V

V

F
x
V

A

V

G
x
S

N

S

I

V

P

P

G
x
L

G

G

A

G

G

G

M

L

S

S

S
|
S

S

S

A

A

A

S

L
|
L

E

E

N

V

S

A

F

T

V

Y

Y

T

G

F

L

L

N

Q

D

Q

L

L

F

C

D

P

L

D

G

S

L

G

T

T

K

I

H

A

Q

A

M

R

I

A

L

Q

V

V

S

C

Q

Q

K

Q

A

A

E

E

H

H

N

S

F

F

A

A

G

G

V

M

K

P

C

C

G
|
G

I

I

M
|
M

D
|
D

Q

Q

Y

F

A

I

S

S

M

L

F

M

G

G

I

Q

K

K

K

G

S

H

A

A

L

L

L

L

L

I

D

D

C

C

R

R

T

S

V

L

E

E

S

T

E

S

P

L

Y

V

K

P

I
x
L

D

S

F
x
D

K

P

D

K

Y
x
L

K

A

L

V

M

L

L

I

I

T

N

N

S

S

N

N

V

V

K

R

H

H

D

S

L

L

S

A

E

S

S

S

A

E

Y
|
Y

N

P

D

V

R

R

R

R

E

R

V

Q

C

C

E

E

R

E

V

V

S

A

E

R

L

A

L

L

H

G

L

A

D

A

A

S

L

L

R

R

D

E

A

V

S

Q

K

L

E

E

D

E

L

L

D

E

R

A

I

A

K

R

T

D

D

L

I

V

S

S

E

K

E

E

D

G

Y

F

Q

R

K

R

A

A

L

R

Y

H

V

V

I

V

N

G

E

E

N

I

N

R

R

R

V

T

K

A

Q

Q

F

A

S

A

E

A

A

A

I
x
L

K

R

K

R

D

G

D

D

I

Y

E

R

A

A

L
x
F

G

G

D

R

L

L

L

M

Y

V

Q

E

S

S

H

H

E

R

G

S

L

L

S

R

T

D

N

D

Y

Y

K

E

V

V

S

S

C

C

K

P

E

E

L

L

D

D

F

Q

L

L

V

V

D

E

R

A

A

A

K

L

E

A

N

V

T

P

N

G

V

V

L

Y

G

G

A

S

R

R

M

M

M

T

G

G

G

G

G

G

F

F

G

G

G

G

C

C

T

T

I

V

N

T

L
|
L

V

L

K

E

K

A

D

S

E

A

F

A

K

P

K

H

F

A

K

M

K

R

E

H

V

I

A

Q

K

E

K

H

F

Y

R

G

A

G

T

T

F

A

E

T

Y

F

binding beta-D-galactopyranose: E42 (= E35), H43 (= H36), D45 (= D38), Y46 (= Y39), G182 (= G170), M184 (= M172), D185 (= D173), Y235 (= Y223)
binding 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one: D82 (≠ N71), R104 (vs. gap), W105 (= W91), V128 (≠ F116), S130 (≠ G118), L134 (≠ G122), S140 (= S128), L144 (= L132)
binding (2,5-dimethylphenyl) pyridine-4-carboxylate: L212 (≠ I200), D214 (≠ F202), L217 (≠ Y205), L294 (≠ I282), F302 (≠ L290), L354 (= L342)

6q91A Structure of human galactokinase 1 bound with 5-chloro-n-isobutyl-2- methoxybenzamide
35% identity, 94% coverage: 4:365/386 of query aligns to 11:378/392 of 6q91A

query
sites
6q91A

K

E

L

L

V

L

K

A

E

E

V

A

K

R

Q

R

S

A

F

F

K

R

E

E

H

E

F

F

R

G

T

A

K

E

P

P

-

E

L

L

I

A

V

V

F

S

S

A

P

P

G

G

R

R

I

V

N

N

L

L

I

I

G

G

E
|
E

H
|
H

T

T

D
|
D

Y
|
Y

N

N

D

Q

G

G

F

L

A

V

F

L

P

P

A

M

A

A

I

L

N

E

K

L

G

M

I

T

A

V

L

L

A

V

I

G

S

S

K

P

S

R

T

K

S

D

N

G

V

L

S

V

S

S

V

L

Y

L

A

T

L

T

-

S

-

E

-

G

-

A

N

D

K

E

E

P

E

Q

I

R

Y

L

A

Q

F

F

D

P

T

L

T

P

K

T

I

A

K

Q

P

R

L

S

V

L

D

E

G

P

G

G

-

T

-

P

-
x
R

W
|
W

R

A

N

N

Y
|
Y

V

V

I

K

G

G

V

V

V

I

A

Q

E

Y

L

Y

Q

P

M

-

L

-

G

A

K

A

Q

P

I

L

G

P

S

G

F

F

D

S

S

A

V

V

F

V

A

V

G
x
S

N

S

I

V

P

P

G
x
L

G
|
G

A

G

G

G

M

L

S

S

S
|
S

S

S

A

A

A

S

L

L

E

E

N

V

S

A

F

T

V

Y

Y

T

G

F

L

L

N

Q

D

Q

L

L

F

C

D

P

L

D

G

S

L

G

T

T

K

I

H

A

Q

A

M

R

I

A

L

Q

V

V

S

C

Q

Q

K

Q

A

A

E

E

H

H

N

S

F

F

A

A

G

G

V

M

K

P

C
|
C

G
|
G

I

I

M
|
M

D
|
D

Q

Q

Y

F

A

I

S

S

M

L

F

M

G

G

I

Q

K

K

K

G

S

H

A

A

L

L

L

L

L

I

D

D

C

C

R

R

T

S

V

L

E

E

S

T

E

S

P

L

Y

V

K

P

I
x
L

D
x
S

F
x
D

K

P

D

K

Y
x
L

K

A

L

V

M

L

L

I

I

T

N

N

S

S

N

N

V

V

K

R

H

H

D

S

L

L

S

A

E

S

S

S

A

E

Y
|
Y

N

P

D

V

R

R

R

R

E

R

V

Q

C

C

E

E

R

E

V

V

S

A

E

R

L

A

L

L

H

G

L

A

D

A

A

S

L

L

R

R

D

E

A

V

S

Q

K

L

E

E

D

E

L

L

D

E

R

A

I

A

K

R

T

D

D

L

I

V

S

S

E

K

E

E

D

G

Y

F

Q

R

K

R

A

A

L

R

Y

H

V

V

I

V

N

G

E

E

N

I

N

R

R

R

V

T

K

A

Q

Q

F

A

S

A

E

A

A

A

I
x
L

K

R

K

R

D
x
G

D
|
D

I
x
Y

E

R

A

A

L
x
F

G

G

D

R

L

L

L

M

Y

V

Q

E

S

S

H

H

E

R

G

S

L

L

S

R

T

D

N

D

Y

Y

K

E

V

V

S

S

C

C

K

P

E

E

L

L

D

D

F

Q

L

L

V

V

D

E

R

A

A

A

K

L

E

A

N

V

T

P

N

G

V

V

L

Y

G

G

A

S

R

R

M

M

M

T

G

G

G
|
G

G

G

F

F

G

G

G

G

C

C

T

T

I

V

N

T

L
|
L

V

L

K

E

K

A

D

S

E

A

F

A

K

P

K

H

F

A

K

M

K

R

E

H

V

I

A

Q

K

E

K

H

F

Y

R

G

A

G

T

T

F

A

E

T

Y

F

binding beta-D-galactopyranose: E43 (= E35), H44 (= H36), D46 (= D38), Y47 (= Y39), C182 (= C169), G183 (= G170), M185 (= M172), D186 (= D173), Y236 (= Y223), G346 (= G333)
binding 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one: R105 (vs. gap), W106 (= W91), Y109 (= Y94), S131 (≠ G118), L135 (≠ G122), G136 (= G123), S141 (= S128)
binding 5-chloranyl-2-methoxy-~{N}-(2-methylpropyl)benzamide: L213 (≠ I200), S214 (≠ D201), D215 (≠ F202), L218 (≠ Y205), L295 (≠ I282), G298 (≠ D285), D299 (= D286), Y300 (≠ I287), F303 (≠ L290), L355 (= L342)

6q3xA Structure of human galactokinase in complex with galactose and 2'- (benzo[d]oxazol-2-ylamino)-7',8'-dihydro-1'h-spiro[cyclohexane-1,4'- quinazolin]-5'(6'h)-one (see paper)
35% identity, 94% coverage: 4:365/386 of query aligns to 12:379/393 of 6q3xA

query
sites
6q3xA

K

E

L

L

V

L

K

A

E

E

V

A

K

R

Q

R

S

A

F

F

K

R

E

E

H

E

F

F

R

G

T

A

K

E

P

P

-

E

L

L

I

A

V

V

F

S

S

A

P

P

G

G

R

R

I

V

N

N

L

L

I

I

G

G

E
|
E

H
|
H

T

T

D
|
D

Y

Y

N

N

D

Q

G

G

F

L

A

V

F

L

P

P

A

M

A

A

I

L

N

E

K

L

G

M

I

T

A

V

L

L

A

V

I

G

S

S

K

P

S

R

T

K

S

D

N

G

V

L

S

V

S

S

V

L

Y

L

A

T

L

T

-

S

-

E

-

G

-

A

N

D

K

E

E

P

E

Q

I

R

Y

L

A

Q

F

F

D

P

T

L

T

P

K

T

I

A

K

Q

P

R

L

S

V

L

D

E

G

P

G

G

-

T

-

P

-

R

W

W

R

A

N

N

Y
|
Y

V

V

I

K

G

G

V

V

V

I

A

Q

E

Y

L

Y

Q

P

M

-

L

-

G

A

K

A

Q

P

I

L

G

P

S

G

F

F

D

S

S

A

V

V

F

V

A

V

G

S

N

S

I

V

P

P

G
x
L

G

G

A

G

G

G

M

L

S

S

S
|
S

S
|
S

A

A

A

S

L
|
L

E

E

N

V

S

A

F

T

V

Y

Y

T

G

F

L

L

N

Q

D

Q

L

L

F

C

D

P

L

D

G

S

L

G

T

T

K

I

H

A

Q

A

M

R

I

A

L

Q

V

V

S

C

Q

Q

K

Q

A

A

E

E

H

H

N

S

F

F

A

A

G

G

V

M

K

P

C

C

G
|
G

I

I

M
|
M

D
|
D

Q

Q

Y

F

A

I

S

S

M

L

F

M

G

G

I

Q

K

K

K

G

S

H

A

A

L

L

L

L

L

I

D

D

C

C

R

R

T

S

V

L

E

E

S

T

E

S

P

L

Y

V

K

P

I

L

D

S

F

D

K

P

D

K

Y

L

K

A

L

V

M

L

L

I

I

T

N

N

S

S

N

N

V

V

K

R

H

H

D

S

L

L

S

A

E

S

S

S

A

E

Y
|
Y

N

P

D

V

R

R

R

R

E

R

V

Q

C

C

E

E

R

E

V

V

S

A

E

R

L

A

L

L

H

G

L

A

D

A

A

S

L

L

R

R

D

E

A

V

S

Q

K

L

E

E

D

E

L

L

D

E

R

A

I

A

K

R

T

D

D

L

I

V

S

S

E

K

E

E

D

G

Y

F

Q

R

K

R

A

A

L

R

Y

H

V

V

I

V

N

G

E

E

N

I

N

R

R

R

V

T

K

A

Q

Q

F

A

S

A

E

A

A

A

I

L

K

R

K

R

D

G

D

D

I

Y

E

R

A

A

L

F

G

G

D

R

L

L

L

M

Y

V

Q

E

S

S

H

H

E

R

G

S

L

L

S

R

T

D

N

D

Y

Y

K

E

V

V

S

S

C

C

K

P

E

E

L

L

D

D

F

Q

L

L

V

V

D

E

R

A

A

A

K

L

E

A

N

V

T

P

N

G

V

V

L

Y

G

G

A

S

R

R

M

M

M

T

G

G

G
|
G

G

G

F

F

G

G

G

G

C

C

T

T

I

V

N

T

L

L

V

L

K

E

K

A

D

S

E

A

F

A

K

P

K

H

F

A

K

M

K

R

E

H

V

I

A

Q

K

E

K

H

F

Y

R

G

A

G

T

T

F

A

E

T

Y

F

binding beta-D-galactopyranose: E44 (= E35), H45 (= H36), D47 (= D38), G184 (= G170), M186 (= M172), D187 (= D173), Y237 (= Y223), G347 (= G333)
binding 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one: Y110 (= Y94), L136 (≠ G122), S142 (= S128), S143 (= S129), L146 (= L132)

6zh0A Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-n- (pyrimidin-2-yl)acetamide (see paper)
37% identity, 88% coverage: 4:344/386 of query aligns to 10:356/390 of 6zh0A

query
sites
6zh0A

K

E

L

L

V

L

K

A

E

E

V

A

K

R

Q

R

S

A

F

F

K

R

E

E

H

E

F

F

R

G

T

A

K

E

P

P

-

E

L

L

I

A

V

V

F

S

S

A

P

P

G

G

R
|
R

I

V

N

N

L

L

I

I

G

G

E
|
E

H
|
H

T

T

D
|
D

Y

Y

N

N

D

Q

G

G

F

L

A

V

F

L

P

P

A

M

A

A

I

L

N

E

K

L

G

M

I

T

A

V

L

L

A

V

I

G

S

S

K

P

S

R

T

K

S

D

N

G

V

L

S

V

S

S

V

L

Y

L

-

T

-

T

-

S

-

E

A

G

L

A

N
x
D

K

E

E

P

E

Q

I

R

Y

L

A

Q

F

F

D

P

T

L

T

P

K

T

I

A

K

Q

P

R

L

S

V

L

D

E

G

P

G

G

-

T

-

P

-
x
R

W
|
W

R

A

N

N

Y

Y

V

V

I

K

G

G

V

V

V

I

A

Q

E

Y

L

Y

Q

P

M

-

L

-

G

A

K

A

Q

P

I

L

G

P

S

G

F

F

D

S

S

A

V

V

F

V

A

V

G

S

N

S

I

V

P

P

G
x
L

G

G

A

G

G

G

M

L

S

S

S
|
S

S

S

A

A

A

S

L
|
L

E

E

N

V

S

A

F

T

V

Y

Y

T

G

F

L

L

N

Q

D

Q

L

L

F

C

D

P

L

D

G

S

L

G

T

T

K

I

H

A

Q

A

M

R

I

A

L

Q

V

V

S

C

Q

Q

K

Q

A

A

E

E

H

H

N

S

F

F

A

A

G

G

V

M

K

P

C

C

G
|
G

I

I

M
|
M

D
|
D

Q

Q

Y

F

A

I

S

S

M

L

F

M

G

G

I

Q

K

K

K

G

S

H

A

A

L

L

L

L

L

I

D

D

C

C

R

R

T

S

V

L

E

E

S

T

E

S

P

L

Y

V

K

P

I
x
L

D

S

F

D

K

P

D

K

Y

L

K

A

L

V

M

L

L

I

I

T

N

N

S

S

N

N

V

V

K

R

H

H

D

S

L

L

S

A

E

S

S

S

A

E

Y
|
Y

N

P

D

V

R

R

R

R

E

R

V

Q

C

C

E

E

R

E

V

V

S

A

E

R

L

A

L

L

H

G

L

A

D

A

A

S

L

L

R

R

D

E

A

V

S

Q

K

L

E

E

D

E

L

L

D

E

R

A

I

A

K

R

T

D

D

L

I

V

S

S

E

K

E

E

D

G

Y

F

Q

R

K

R

A

A

L

R

Y

H

V

V

I

V

N

G

E

E

N

I

N

R

R

R

V

T

K

A

Q

Q

F

A

S

A

E

A

A

A

I
x
L

K

R

K

R

D
x
G

D
|
D

I
x
Y

E

R

A

A

L
x
F

G

G

D

R

L

L

L

M

Y

V

Q

E

S

S

H

H

E

R

G

S

L

L

S

R

T

D

N

D

Y

Y

K

E

V

V

S

S

C

C

K

P

E

E

L

L

D

D

F

Q

L

L

V

V

D

E

R

A

A

A

K

L

E

A

N

V

T

P

N

G

V

V

L

Y

G

G

A

S

R

R

M

M

M

T

G

G

G
|
G

G

G

F

F

G

G

G

G

C

C

T

T

I

V

N

T

L
|
L

V

L

K

E

binding beta-D-galactopyranose: R36 (= R29), E42 (= E35), H43 (= H36), D45 (= D38), G182 (= G170), M184 (= M172), D185 (= D173), Y235 (= Y223), G345 (= G333)
binding 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one: D82 (≠ N71), R104 (vs. gap), W105 (= W91), L134 (≠ G122), S140 (= S128), L144 (= L132)
binding N-(3-chlorophenyl)-2,2,2-trifluoroacetamide: L212 (≠ I200), L294 (≠ I282), G297 (≠ D285), D298 (= D286), Y299 (≠ I287), F302 (≠ L290), L354 (= L342)

6q3wC Structure of human galactokinase 1 bound with ethyl 1-(2-pyrazinyl)-4- piperidinecarboxylate
35% identity, 94% coverage: 4:365/386 of query aligns to 10:376/390 of 6q3wC

query
sites
6q3wC

K

E

L

L

V

L

K

A

E

E

V

A

K

R

Q

R

S

A

F

F

K

R

E

E

H

E

F

F

R

G

T

A

K

E

P

P

-

E

L

L

I

A

V

V

F

S

S

A

P

P

G

G

R

R

I

V

N

N

L

L

I

I

G

G

E
|
E

H
|
H

T

T

D
|
D

Y
|
Y

N

N

D

Q

G

G

F

L

A

V

F

L

P

P

A

M

A

A

I

L

N

E

K

L

G

M

I

T

A

V

L

L

A

V

I

G

S

S

K

P

S

R

T

K

S

D

N

G

V

L

S

V

S

S

V

L

Y

L

A

T

L

T

-

S

-

E

-

G

-

A

N
x
D

K

E

E

P

E

Q

I

R

Y

L

A

Q

F

F

D

P

T

L

T

P

K

T

I

A

K

Q

P

R

L

S

V

L

D

E

G

P

G

G

-

T

-

P

-
x
R

W
|
W

R

A

N
|
N

Y
|
Y

V

V

I

K

G

G

V

V

V

I

A

Q

E

Y

L

Y

Q

P

M

-

L

-

G

A

K

A

Q

P

I

L

G

P

S

G

F

F

D

S

S

A

V

V

F
x
V

A

V

G
x
S

N

S

I

V

P

P

G
x
L

G

G

A

G

G

G

M

L

S

S

S
|
S

S
|
S

A

A

A

S

L

L

E

E

N

V

S

A

F

T

V

Y

Y

T

G

F

L

L

N

Q

D

Q

L

L

F

C

D

P

L

D

G

S

L

G

T

T

K

I

H

A

Q

A

M

R

I

A

L

Q

V

V

S

C

Q