SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 5210845 FitnessBrowser__PV4:5210845 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)

P0A6T3 Galactokinase; Galactose kinase; EC 2.7.1.6 from Escherichia coli (strain K12) (see 2 papers)
49% identity, 97% coverage: 6:382/388 of query aligns to 5:381/382 of P0A6T3

query
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P0A6T3

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Y371 (= Y372) mutation to H: Displays relaxed substrate specificity since it gains kinase activity toward sugars as diverse as D-galacturonic acid, D-talose, L-altrose, and L-glucose. Also shows enhanced turnover of the small pool of sugars converted by the wild-type enzyme.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

6q8zA Structure of human galactokinase 1 bound with n-(cyclobutylmethyl)-1, 5-dimethyl-1h-pyrazole-4-carboxamide
43% identity, 97% coverage: 8:383/388 of query aligns to 16:390/392 of 6q8zA

query
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6q8zA

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binding beta-D-galactopyranose: R37 (= R29), E43 (= E35), H44 (= H36), D46 (= D38), Y47 (= Y39), C182 (= C171), G183 (= G172), M185 (= M174), D186 (= D175), Y236 (= Y224), G345 (= G334), G346 (= G335)
binding 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one: S79 (≠ A71), G81 (vs. gap), D83 (vs. gap), R105 (≠ S92), W106 (= W93), Y109 (= Y96), V129 (= V118), S131 (≠ G120), L135 (= L124), G136 (= G125), S141 (= S130), S142 (= S131), L145 (= L134), R228 (≠ P216)
binding ~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide: A31 (≠ L23), V32 (≠ Y24), S33 (≠ Q25), V62 (= V54), D385 (≠ Q378), K388 (≠ S381), V389 (≠ R382), L390 (= L383)

Sites not aligning to the query:

binding ~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide: 9, 13

6qjeA Structure of human galactokinase 1 bound with 4-{[2-(methylsulfonyl)- 1h-imidazol-1-yl]methyl}-1,3-thiazole
43% identity, 97% coverage: 8:383/388 of query aligns to 14:388/390 of 6qjeA

query
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binding beta-D-galactopyranose: E41 (= E35), H42 (= H36), D44 (= D38), Y45 (= Y39), C180 (= C171), G181 (= G172), M183 (= M174), D184 (= D175), Y234 (= Y224), G343 (= G334), G344 (= G335)
binding 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one: T59 (= T53), S77 (≠ A71), G79 (vs. gap), R103 (≠ S92), W104 (= W93), Y107 (= Y96), V127 (= V118), S129 (≠ G120), L133 (= L124), G134 (= G125), S139 (= S130), S140 (= S131), L143 (= L134), R226 (≠ P216)
binding 4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole: R103 (≠ S92), N106 (= N95), Y107 (= Y96), F175 (≠ Y166), A176 (≠ V167), G177 (= G168)

7s4cA Crystal structure of inhibitor-bound galactokinase (see paper)
43% identity, 97% coverage: 8:383/388 of query aligns to 15:389/391 of 7s4cA

query
sites
7s4cA

A

A

N

R

K

R

L

A

F

F

V

R

Q

E

T

E

F

F

G

G

T

A

T

E

A

P

D

E

D

L

L

A

Y

V

Q

S

A

A

P

P

G

G

R

R

V

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

V

V

L

L

P

P

A
x
M

A

A

I

L

N

E

F

L

R

M

T
|
T

V

V

I

L

A

V

V

G

K

S

Q

P

R

R

D

K

D

D

D

G

K

L

F

V

R

S

A

L

V

L

S
x
T

D

T

A
x
S

F

E

-
x
G

-

A

-
x
D

-

E

P

P

G

Q

K

R

I

L

Y

Q

T

F

W

P

H

L

F

P

G

T

Q

A

E

Q

G

R

E

S

M

L

D

E

P

P

-

G

N

T

D

P

S
x
R

W
|
W

I

A

N

N

Y
|
Y

L

V

K

K

G

G

F

V

T

I

A

Q

A

Y

V

Y

S

P

A

A

S

A

G

P

L

L

P

P

A

-

K

-

G

G

M

F

D

S

L

A

A

V

V
|
V

V
|
V

G
x
S

S

S

V

V

P

P

L
|
L

G
|
G

A

G

G

G

L

L

S

S

S
|
S

S
|
S

A

A

A

S

L
|
L

E

E

I

V

A

A

F

T

G

Y

T

T

A

F

L

L

N

Q

D

Q

C

L

S

C

Q

P

L

D

R

S

L

G

S

T

P

I

L

A

A

A

V

R

A

A

Q

Q

M

V

A

C

Q

Q

R
x
Q

G

A

E

E

N
x
H

Q

S

Y

F

V
x
A

G

G

C

M

A

P

C
|
C

G
|
G

I

I

M
|
M

D
|
D

Q

Q

M

F

I

I

S

S

A

L

M

M

A

G

Q

Q

E
x
K

E
x
G

H

H

A

A

L

L

L

L

I

I

D

D

C

C

E

R

D

S

L

L

D

E

C

T

E

S

P

L

V

V

P

P

I
x
L

P

S

E
x
D

-
x
P

S

K

L
|
L

S
x
A

L
x
V

I

L

I

I

V

T

N

N

S

S

N

N

V

V

P

R

R

H

G

S

L

L

V

A

D
x
S

S

S

E

E

Y
|
Y

N

P

L

V

R

R

R

R

E

R

Q

Q

C

C

E

E

Q

E

V

V

A

A

E

R

H

A

F

L

G

G

I

A

E

A

S

S

L

L

R

R

H

E

L

V

E

Q

L

L

R

E

T

E

L

L

E

E

G

A

A

A

K

R

D

D

E

L

L

V

P

S

E

K

V

E

C

G

Y

F

R

R

R

R

A

A

R

R

H

H

V

V

L

V

S

G

E

E

N

I

R

R

R

R

T

T

Q

A

N

Q

A

A

A

A

H

A

A
|
A

L
|
L

E

R

A

R

G

G

N
x
D

I
x
Y

A

R

K

A

L
x
F

S

G

E

R

L

L

M

M

A

V

Q

E

S

S

H

H

Q

R

S

S

M

L

R

R

D

D

D

D

F

Y

E

E

I

V

T

S

V

C

P

P

E

E

I

L

D

D

K

Q

L

L

V

V

E

E

I

A

I

A

D

L

A

A

V

V

V

P

G

G

D

V

R

Y

G

G

G

S

V

-

R

R

M

M

T

T

G
|
G

G
|
G

G

G

F

F

G

G

G

G

C

C

V

T

V

V

A

T

L
|
L

V

L

D

E

H

A

D

S

L

A

T

A

D

P

A
x
H

V

A

V

M

E

R

A
x
H

V

I

E

Q

R
x
E

Q

H

Y

Y

Q

-

A

-

A

-

T

-

G

G

L

G

E

T

A

A

S

T

V

F

Y

Y

L

L

C
x
S

S
x
Q

A
|
A

S

A

Q

D

G

G

A

A

S

K

R

V

L

L

binding alpha-D-galactopyranose: E42 (= E35), H43 (= H36), D45 (= D38), Y46 (= Y39), C181 (= C171), G182 (= G172), M184 (= M174), D185 (= D175), Y235 (= Y224), G344 (= G334), G345 (= G335)
binding phosphate ion: Q171 (≠ R161), H174 (≠ N164), H362 (≠ A352), H366 (≠ A356), E369 (≠ R359)
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), T60 (= T53), T76 (≠ S69), S78 (≠ A71), G80 (vs. gap), D82 (vs. gap), R104 (≠ S92), W105 (= W93), Y108 (= Y96), V128 (= V118), V129 (= V119), S130 (≠ G120), L134 (= L124), G135 (= G125), S140 (= S130), S141 (= S131), L144 (= L134), A177 (≠ V167), K194 (≠ E184), G195 (≠ E185), L212 (≠ I202), D214 (≠ E204), P215 (vs. gap), L217 (= L206), A218 (≠ S207), V219 (≠ L208), S232 (≠ D221), A293 (= A282), L294 (= L283), D298 (≠ N287), Y299 (≠ I288), F302 (≠ L291), L354 (= L344), S380 (≠ C374), Q381 (≠ S375), A382 (= A376)

7s49A Crystal structure of inhibitor-bound galactokinase (see paper)
43% identity, 97% coverage: 8:383/388 of query aligns to 15:389/391 of 7s49A

query
sites
7s49A

A

A

N

R

K

R

L

A

F

F

V

R

Q

E

T

E

F

F

G

G

T

A

T

E

A

P

D

E

D

L

L

A

Y

V

Q

S

A

A

P

P

G

G

R

R

V

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

V

V

L

L

P

P

A

M

A

A

I

L

N

E

F

L

R

M

T

T

V

V

I

L

A

V

V

G

K

S

Q

P

R

R

D

K

D

D

D

G

K

L

F

V

R

S

A

L

V

L

S

T

D

T

A
x
S

F

E

-
x
G

-

A

-
x
D

-

E

P

P

G

Q

K

R

I

L

Y

Q

T

F

W

P

H

L

F

P

G

T

Q

A

E

Q

G

R

E

S

M

L

D

E

P

P

-

G

N

T

D

P

S
x
R

W
|
W

I

A

N

N

Y
|
Y

L

V

K

K

G

G

F

V

T

I

A

Q

A

Y

V

Y

S

P

A

A

S

A

G

P

L

L

P

P

A

-

K

-

G

G

M

F

D

S

L

A

A

V

V
|
V

V

V

G
x
S

S

S

V

V

P

P

L
|
L

G

G

A

G

G

G

L

L

S

S

S
|
S

S
|
S

A

A

A

S

L
|
L

E

E

I

V

A

A

F

T

G

Y

T

T

A

F

L

L

N

Q

D

Q

C

L

S

C

Q

P

L

D

R

S

L

G

S

T

P

I

L

A

A

A

V

R

A

A

Q

Q

M

V

A

C

Q

Q

R
x
Q

G

A

E

E

N
x
H

Q

S

Y

F

V

A

G

G

C

M

A

P

C
|
C

G
|
G

I

I

M
|
M

D
|
D

Q

Q

M

F

I

I

S

S

A

L

M

M

A

G

Q

Q

E

K

E

G

H

H

A

A

L

L

L

L

I

I

D

D

C

C

E

R

D

S

L

L

D

E

C

T

E

S

P

L

V

V

P

P

I

L

P

S

E

D

-

P

S

K

L

L

S

A

L

V

I

L

I

I

V

T

N

N

S

S

N

N

V

V

P
x
R

R

H

G

S

L

L

V

A

D

S

S

S

E

E

Y
|
Y

N

P

L

V

R

R

R

R

E

R

Q

Q

C

C

E

E

Q

E

V

V

A

A

E

R

H

A

F

L

G

G

I

A

E

A

S

S

L

L

R

R

H

E

L

V

E

Q

L

L

R

E

T

E

L

L

E

E

G

A

A

A

K

R

D

D

E

L

L

V

P

S

E

K

V

E

C

G

Y

F

R

R

R

R

A

A

R

R

H

H

V

V

L

V

S

G

E

E

N

I

R

R

R

R

T

T

Q

A

N

Q

A

A

A

A

H

A

A

A

L

L

E

R

A

R

G

G

N

D

I

Y

A

R

K

A

L

F

S

G

E

R

L

L

M

M

A

V

Q

E

S

S

H

H

Q

R

S

S

M

L

R

R

D

D

D

D

F

Y

E

E

I

V

T

S

V

C

P

P

E

E

I

L

D

D

K

Q

L

L

V

V

E

E

I

A

I

A

D

L

A

A

V

V

V

P

G

G

D

V

R

Y

G

G

G

S

V

-

R

R

M

M

T

T

G
|
G

G
|
G

G

G

F

F

G

G

G

G

C

C

V

T

V

V

A

T

L

L

V

L

D

E

H

A

D

S

L

A

T

A

D

P

A
x
H

V

A

V

M

E

R

A
x
H

V

I

E

Q

R

E

Q

H

Y

Y

Q

-

A

-

A

-

T

-

G

G

L

G

E

T

A

A

S

T

V

F

Y

Y

L

L

C

S

S

Q

A

A

S

A

Q

D

G

G

A

A

S

K

R

V

L

L

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 (≠ A71), G80 (vs. gap), D82 (vs. gap), R104 (≠ S92), W105 (= W93), Y108 (= Y96), V128 (= V118), S130 (≠ G120), L134 (= L124), S140 (= S130), S141 (= S131), L144 (= L134), R227 (≠ P216)
binding alpha-D-galactopyranose: E42 (= E35), H43 (= H36), D45 (= D38), Y46 (= Y39), C181 (= C171), G182 (= G172), M184 (= M174), D185 (= D175), Y235 (= Y224), G344 (= G334), G345 (= G335)
binding phosphate ion: Q171 (≠ R161), H174 (≠ N164), H362 (≠ A352), H366 (≠ A356)

7rclA Crystal structure of adp-bound galactokinase (see paper)
43% identity, 97% coverage: 8:383/388 of query aligns to 15:389/391 of 7rclA

query
sites
7rclA

A

A

N

R

K

R

L

A

F

F

V

R

Q

E

T

E

F

F

G

G

T

A

T

E

A

P

D

E

D

L

L

A

Y

V

Q

S

A

A

P

P

G

G

R

R

V

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

V

V

L

L

P

P

A

M

A

A

I

L

N

E

F

L

R

M

T

T

V

V

I

L

A

V

V

G

K

S

Q

P

R

R

D

K

D

D

D

G

K

L

F

V

R

S

A

L

V

L

S
x
T

D

T

A
x
S

F

E

-

G

-
x
A

-

D

-

E

P

P

G

Q

K

R

I

L

Y

Q

T

F

W

P

H

L

F

P

G

T

Q

A

E

Q

G

R

E

S

M

L

D

E

P

P

-

G

N

T

D

P

S

R

W
|
W

I

A

N

N

Y
|
Y

L

V

K

K

G

G

F

V

T

I

A

Q

A

Y

V

Y

S

P

A

A

S

A

G

P

L

L

P

P

A

-

K

-

G

G

M

F

D

S

L

A

A

V

V
|
V

V

V

G

S

S

S

V

V

P

P

L
|
L

G
|
G

A

G

G
|
G

L

L

S
|
S

S
|
S

S
|
S

A

A

A

S

L
|
L

E

E

I

V

A

A

F

T

G

Y

T

T

A

F

L

L

N

Q

D

Q

C

L

S

C

Q

P

L

D

R

S

L

G

S

T

P

I

L

A

A

A

V

R

A

A

Q

Q

M

V

A

C

Q

Q

R
x
Q

G

A

E

E

N
x
H

Q

S

Y

F

V

A

G

G

C

M

A

P

C
|
C

G
|
G

I

I

M
|
M

D
|
D

Q

Q

M

F

I

I

S

S

A

L

M

M

A

G

Q

Q

E

K

E

G

H

H

A

A

L

L

L

L

I

I

D

D

C

C

E

R

D

S

L

L

D

E

C

T

E

S

P

L

V

V

P

P

I

L

P

S

E

D

-

P

S

K

L

L

S

A

L

V

I

L

I

I

V

T

N

N

S

S

N

N

V

V

P

R

R
x
H

G

S

L
|
L

V

A

D

S

S

S

E

E

Y
|
Y

N

P

L

V

R

R

R

R

E

R

Q

Q

C

C

E

E

Q

E

V

V

A

A

E

R

H

A

F

L

G

G

I

A

E

A

S

S

L

L

R

R

H

E

L

V

E

Q

L

L

R

E

T

E

L

L

E

E

G

A

A

A

K
x
R

D

D

E

L

L

V

P

S

E

K

V

E

C

G

Y

F

R
|
R

R

R

A

A

R
|
R

H

H

V

V

L

V

S

G

E

E

N

I

R

R

R

R

T

T

Q

A

N

Q

A

A

A

A

H

A

A

A

L

L

E

R

A

R

G

G

N

D

I

Y

A

R

K

A

L

F

S

G

E

R

L

L

M

M

A

V

Q

E

S

S

H

H

Q

R

S

S

M

L

R

R

D

D

D

D

F

Y

E

E

I

V

T

S

V

C

P

P

E

E

I

L

D

D

K

Q

L

L

V

V

E

E

I

A

I

A

D

L

A

A

V

V

V

P

G

G

D

V

R

Y

G

G

G

S

V

-

R

R

M

M

T

T

G
|
G

G
|
G

G

G

F

F

G

G

G

G

C

C

V

T

V

V

A

T

L

L

V

L

D

E

H

A

D

S

L

A

T

A

D

P

A
x
H

V

A

V

M

E

R

A
x
H

V

I

E

Q

R
x
E

Q

H

Y

Y

Q

-

A

-

A

-

T

-

G

G

L

G

E

T

A

A

S

T

V

F

Y

Y

L

L

C

S

S

Q

A

A

S

A

Q

D

G

G

A

A

S

K

R

V

L

L

binding adenosine-5'-diphosphate: T76 (≠ S69), S78 (≠ A71), A81 (vs. gap), W105 (= W93), Y108 (= Y96), V128 (= V118), L134 (= L124), G135 (= G125), G137 (= G127), S139 (= S129), S140 (= S130), S141 (= S131), L144 (= L134), H228 (≠ R217), L230 (= L219)
binding alpha-D-galactopyranose: E42 (= E35), H43 (= H36), D45 (= D38), Y46 (= Y39), C181 (= C171), G182 (= G172), M184 (= M174), D185 (= D175), Y235 (= Y224), G344 (= G334), G345 (= G335)
binding phosphate ion: Q171 (≠ R161), H174 (≠ N164), R266 (≠ K255), R275 (= R264), R278 (= R267), H362 (≠ A352), H366 (≠ A356), E369 (≠ R359)

7ozxB Structure of human galactokinase 1 bound with azepan-1-yl(2,6- difluorophenyl)methanone
43% identity, 97% coverage: 8:383/388 of query aligns to 15:389/391 of 7ozxB

query
sites
7ozxB

A

A

N

R

K

R

L

A

F

F

V

R

Q

E

T

E

F

F

G

G

T

A

T

E

A

P

D

E

D

L

L

A

Y
x
V

Q
x
S

A

A

P

P

G

G

R
|
R

V

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

V

V

L

L

P

P

A

M

A

A

I

L

N

E

F

L

R
x
M

T

T

V

V

I

L

A

V

V

G

K

S

Q

P

R

R

D

K

D

D

D

G

K

L

F

V

R

S

A

L

V

L

S
x
T

D

T

A
x
S

F

E

-
x
G

-
x
A

-
x
D

-

E

P

P

G

Q

K

R

I

L

Y

Q

T

F

W

P

H

L

F

P

G

T

Q

A

E

Q

G

R

E

S

M

L

D

E

P

P

-

G

N

T

D

P

S
x
R

W
|
W

I

A

N

N

Y
|
Y

L

V

K

K

G

G

F

V

T

I

A

Q

A

Y

V

Y

S

P

A

A

S

A

G

P

L

L

P

P

A

-

K

-

G

G

M

F

D

S

L

A

A

V

V
|
V

V

V

G
x
S

S

S

V

V

P

P

L
|
L

G
|
G

A

G

G

G

L

L

S

S

S
|
S

S
|
S

A

A

A

S

L
|
L

E

E

I

V

A

A

F

T

G

Y

T

T

A

F

L

L

N

Q

D

Q

C

L

S

C

Q

P

L

D

R

S

L

G

S

T

P

I

L

A

A

A

V

R

A

A

Q

Q

M

V

A

C

Q

Q

R

Q

G

A

E

E

N

H

Q

S

Y

F

V

A

G

G

C

M

A

P

C
|
C

G
|
G

I

I

M
|
M

D
|
D

Q

Q

M

F

I

I

S

S

A

L

M

M

A

G

Q

Q

E

K

E

G

H

H

A

A

L

L

L

L

I

I

D

D

C

C

E

R

D

S

L

L

D

E

C

T

E

S

P

L

V

V

P

P

I

L

P

S

E

D

-

P

S

K

L

L

S

A

L

V

I

L

I

I

V

T

N

N

S

S

N

N

V

V

P
x
R

R

H

G

S

L

L

V

A

D

S

S

S

E

E

Y
|
Y

N

P

L

V

R

R

R

R

E

R

Q

Q

C

C

E

E

Q

E

V

V

A

A

E

R

H

A

F

L

G

G

I

A

E

A

S

S

L

L

R

R

H

E

L

V

E

Q

L

L

R

E

T

E

L

L

E

E

G

A

A

A

K

R

D

D

E

L

L

V

P

S

E

K

V

E

C

G

Y

F

R

R

R

R

A

A

R

R

H

H

V

V

L

V

S

G

E

E

N

I

R

R

R

R

T

T

Q

A

N

Q

A

A

A

A

H

A

A

A

L

L

E

R

A

R

G

G

N

D

I

Y

A

R

K

A

L

F

S

G

E

R

L

L

M

M

A

V

Q

E

S

S

H

H

Q

R

S

S

M

L

R

R

D

D

D

D

F

Y

E

E

I

V

T

S

V

C

P

P

E

E

I

L

D

D

K

Q

L

L

V

V

E

E

I

A

I

A

D

L

A

A

V

V

V

P

G

G

D

V

R

Y

G

G

G

S

V

-

R

R

M

M

T

T

G
|
G

G
|
G

G

G

F

F

G

G

G

G

C

C

V

T

V

V

A

T

L

L

V

L

D

E

H

A

D

S

L

A

T

A

D

P

A

H

V

A

V

M

E

R

A

H

V

I

E

Q

R

E

Q

H

Y

Y

Q

-

A

-

A

-

T

-

G

G

L

G

E

T

A

A

S

T

V

F

Y

Y

L

L

C

S

S

Q

A

A

S

A

Q

D

G

G

A

A

S
x
K

R

V

L
|
L

binding beta-D-galactopyranose: R36 (= R29), E42 (= E35), H43 (= H36), D45 (= D38), Y46 (= Y39), C181 (= C171), G182 (= G172), M184 (= M174), D185 (= D175), Y235 (= Y224), G344 (= G334), G345 (= G335)
binding 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one: T76 (≠ S69), S78 (≠ A71), G80 (vs. gap), A81 (vs. gap), D82 (vs. gap), R104 (≠ S92), W105 (= W93), Y108 (= Y96), V128 (= V118), S130 (≠ G120), L134 (= L124), G135 (= G125), S140 (= S130), S141 (= S131), L144 (= L134), R227 (≠ P216)
binding (azepan-1-yl)(2,6-difluorophenyl)methanone: V31 (≠ Y24), S32 (≠ Q25), M59 (≠ R52), K387 (≠ S381), L389 (= L383)

Sites not aligning to the query:

binding (azepan-1-yl)(2,6-difluorophenyl)methanone: 8, 12

6zgyA Structure of human galactokinase 1 bound with 2-(4-chlorophenyl)-n- (pyrimidin-2-yl)acetamide (see paper)
43% identity, 97% coverage: 8:383/388 of query aligns to 15:389/391 of 6zgyA

query
sites
6zgyA

A

A

N

R

K

R

L

A

F

F

V

R

Q

E

T

E

F

F

G

G

T

A

T

E

A

P

D

E

D

L

L

A

Y

V

Q

S

A

A

P

P

G

G

R
|
R

V

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

V

V

L

L

P

P

A

M

A

A

I

L

N

E

F

L

R

M

T
|
T

V

V

I

L

A

V

V

G

K

S

Q

P

R

R

D

K

D

D

D

G

K

L

F

V

R

S

A

L

V

L

S

T

D

T

A
x
S

F

E

-

G

-

A

-
x
D

-

E

P

P

G

Q

K

R

I

L

Y

Q

T

F

W

P

H

L

F

P

G

T

Q

A

E

Q

G

R

E

S

M

L

D

E

P

P

-

G

N

T

D

P

S
x
R

W
|
W

I

A

N

N

Y
|
Y

L

V

K

K

G

G

F

V

T

I

A

Q

A

Y

V

Y

S

P

A

A

S

A

G

P

L

L

P

P

A

-

K

-

G

G

M

F

D

S

L

A

A

V

V
|
V

V

V

G
x
S

S

S

V

V

P

P

L
|
L

G
|
G

A

G

G

G

L

L

S

S

S
|
S

S
|
S

A

A

A

S

L
|
L

E

E

I

V

A

A

F

T

G

Y

T

T

A

F

L

L

N

Q

D

Q

C

L

S

C

Q

P

L

D

R

S

L

G

S

T

P

I

L

A

A

A

V

R

A

A

Q

Q

M

V

A

C

Q

Q

R

Q

G

A

E

E

N

H

Q

S

Y

F

V

A

G

G

C

M

A

P

C
|
C

G
|
G

I

I

M
|
M

D
|
D

Q

Q

M

F

I

I

S

S

A

L

M

M

A

G

Q

Q

E

K

E

G

H

H

A

A

L

L

L

L

I

I

D

D

C

C

E

R

D

S

L

L

D

E

C

T

E

S

P

L

V

V

P

P

I
x
L

P
x
S

E
x
D

-

P

S

K

L
|
L

S
x
A

L
x
V

I

L

I

I

V

T

N

N

S

S

N

N

V

V

P
x
R

R

H

G

S

L

L

V

A

D

S

S

S

E

E

Y
|
Y

N

P

L

V

R

R

R

R

E

R

Q

Q

C

C

E

E

Q

E

V

V

A

A

E

R

H

A

F

L

G

G

I

A

E

A

S

S

L

L

R

R

H

E

L

V

E

Q

L

L

R

E

T

E

L

L

E

E

G

A

A

A

K

R

D

D

E

L

L

V

P

S

E

K

V

E

C

G

Y

F

R

R

R

R

A

A

R

R

H

H

V

V

L

V

S

G

E

E

N

I

R

R

R

R

T

T

Q

A

N

Q

A

A

A

A

H

A

A

A

L
|
L

E

R

A

R

G

G

N

D

I

Y

A

R

K

A

L
x
F

S

G

E

R

L

L

M

M

A

V

Q

E

S

S

H

H

Q

R

S

S

M

L

R

R

D

D

D

D

F

Y

E

E

I

V

T

S

V

C

P

P

E

E

I

L

D

D

K

Q

L

L

V

V

E

E

I

A

I

A

D

L

A

A

V

V

V

P

G

G

D

V

R

Y

G

G

G

S

V

-

R

R

M

M

T

T

G
|
G

G
|
G

G

G

F

F

G

G

G

G

C

C

V

T

V

V

A

T

L
|
L

V

L

D

E

H

A

D

S

L

A

T

A

D

P

A

H

V

A

V

M

E

R

A

H

V

I

E

Q

R

E

Q

H

Y

Y

Q

-

A

-

A

-

T

-

G

G

L

G

E

T

A

A

S

T

V

F

Y

Y

L

L

C

S

S

Q

A

A

S

A

Q

D

G

G

A

A

S

K

R

V

L

L

binding beta-D-galactopyranose: R36 (= R29), E42 (= E35), H43 (= H36), D45 (= D38), Y46 (= Y39), C181 (= C171), G182 (= G172), M184 (= M174), D185 (= D175), Y235 (= Y224), G344 (= G334), G345 (= G335)
binding 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one: T60 (= T53), S78 (≠ A71), D82 (vs. gap), R104 (≠ S92), W105 (= W93), Y108 (= Y96), V128 (= V118), S130 (≠ G120), L134 (= L124), G135 (= G125), S140 (= S130), S141 (= S131), L144 (= L134), R227 (≠ P216)
binding (2,5-dimethylphenyl) pyridine-4-carboxylate: L212 (≠ I202), S213 (≠ P203), D214 (≠ E204), L217 (= L206), A218 (≠ S207), V219 (≠ L208), L294 (= L283), F302 (≠ L291), L354 (= L344)

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)
43% identity, 97% coverage: 8:383/388 of query aligns to 17:391/393 of 6q3xA

query
sites
6q3xA

A

A

N

R

K

R

L

A

F

F

V

R

Q

E

T

E

F

F

G

G

T

A

T

E

A

P

D

E

D

L

L

A

Y

V

Q

S

A

A

P

P

G

G

R
|
R

V

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

V

V

L

L

P

P

A

M

A

A

I

L

N

E

F

L

R

M

T

T

V

V

I

L

A

V

V

G

K

S

Q

P

R

R

D

K

D

D

D

G

K

L

F

V

R

S

A

L

V

L

S

T

D

T

A
x
S

F

E

-
x
G

-
x
A

-
x
D

-

E

P

P

G

Q

K

R

I

L

Y

Q

T

F

W

P

H

L

F

P

G

T

Q

A

E

Q

G

R

E

S

M

L

D

E

P

P

-

G

N

T

D

P

S
x
R

W
|
W

I

A

N

N

Y
|
Y

L

V

K

K

G

G

F

V

T

I

A

Q

A

Y

V

Y

S

P

A

A

S

A

G

P

L

L

P

P

A

-

K

-

G

G

M

F

D

S

L

A

A

V

V
|
V

V

V

G
x
S

S

S

V

V

P

P

L
|
L

G
|
G

A

G

G

G

L

L

S

S

S
|
S

S
|
S

A

A

A

S

L
|
L

E

E

I

V

A

A

F

T

G

Y

T

T

A

F

L

L

N

Q

D

Q

C

L

S

C

Q

P

L

D

R

S

L

G

S

T

P

I

L

A

A

A

V

R

A

A

Q

Q

M

V

A

C

Q

Q

R

Q

G

A

E

E

N

H

Q

S

Y

F

V

A

G

G

C

M

A

P

C
|
C

G
|
G

I

I

M
|
M

D
|
D

Q

Q

M

F

I

I

S

S

A

L

M

M

A

G

Q

Q

E

K

E

G

H

H

A

A

L

L

L

L

I

I

D

D

C

C

E

R

D

S

L

L

D

E

C

T

E

S

P

L

V

V

P

P

I

L

P

S

E

D

-

P

S

K

L

L

S

A

L

V

I

L

I

I

V

T

N

N

S

S

N

N

V

V

P

R

R

H

G

S

L

L

V

A

D

S

S

S

E

E

Y
|
Y

N

P

L

V

R

R

R

R

E

R

Q

Q

C

C

E

E

Q

E

V

V

A

A

E

R

H

A

F

L

G

G

I

A

E

A

S

S

L

L

R

R

H

E

L

V

E

Q

L

L

R

E

T

E

L

L

E

E

G

A

A

A

K

R

D

D

E

L

L

V

P

S

E

K

V

E

C

G

Y

F

R

R

R

R

A

A

R

R

H

H

V

V

L

V

S

G

E

E

N

I

R

R

R

R

T

T

Q

A

N

Q

A

A

A

A

H

A

A

A

L

L

E

R

A

R

G

G

N

D

I

Y

A

R

K

A

L

F

S

G

E

R

L

L

M

M

A

V

Q

E

S

S

H

H

Q

R

S

S

M

L

R

R

D

D

D

D

F

Y

E

E

I

V

T

S

V

C

P

P

E

E

I

L

D

D

K

Q

L

L

V

V

E

E

I

A

I

A

D

L

A

A

V

V

V

P

G

G

D

V

R

Y

G

G

G

S

V

-

R

R

M

M

T

T

G
|
G

G
|
G

G

G

F

F

G

G

G

G

C

C

V

T

V

V

A

T

L

L

V

L

D

E

H

A

D

S

L

A

T

A

D

P

A

H

V

A

V

M

E

R

A

H

V

I

E

Q

R

E

Q

H

Y

Y

Q

-

A

-

A

-

T

-

G

G

L

G

E

T

A

A

S

T

V

F

Y

Y

L

L

C

S

S

Q

A

A

S

A

Q

D

G

G

A

A

S

K

R

V

L

L

binding beta-D-galactopyranose: R38 (= R29), E44 (= E35), H45 (= H36), D47 (= D38), Y48 (= Y39), C183 (= C171), G184 (= G172), M186 (= M174), D187 (= D175), Y237 (= Y224), G346 (= G334), G347 (= G335)
binding 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one: S80 (≠ A71), G82 (vs. gap), A83 (vs. gap), D84 (vs. gap), R106 (≠ S92), W107 (= W93), Y110 (= Y96), V130 (= V118), S132 (≠ G120), L136 (= L124), G137 (= G125), S142 (= S130), S143 (= S131), L146 (= L134)

6q91A Structure of human galactokinase 1 bound with 5-chloro-n-isobutyl-2- methoxybenzamide
43% identity, 97% coverage: 8:383/388 of query aligns to 16:390/392 of 6q91A

query
sites
6q91A

A

A

N

R

K

R

L

A

F

F

V

R

Q

E

T

E

F

F

G

G

T

A

T

E

A

P

D

E

D

L

L

A

Y

V

Q

S

A

A

P

P

G

G

R
|
R

V

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

V

V

L

L

P

P

A

M

A

A

I

L

N

E

F

L

R

M

T

T

V

V

I

L

A

V

V

G

K

S

Q

P

R

R

D

K

D

D

D

G

K

L

F

V

R

S

A

L

V

L

S

T

D

T

A
x
S

F

E

-

G

-

A

-
x
D

-

E

P

P

G

Q

K

R

I

L

Y

Q

T

F

W

P

H

L

F

P

G

T

Q

A

E

Q

G

R

E

S

M

L

D

E

P

P

-

G

N

T

D

P

S
x
R

W
|
W

I

A

N

N

Y
|
Y

L

V

K

K

G

G

F

V

T

I

A

Q

A

Y

V

Y

S

P

A

A

S

A

G

P

L

L

P

P

A

-

K

-

G

G

M

F

D

S

L

A

A

V

V
|
V

V

V

G
x
S

S

S

V

V

P

P

L
|
L

G
|
G

A

G

G

G

L

L

S

S

S
|
S

S
|
S

A

A

A

S

L
|
L

E

E

I

V

A

A

F

T

G

Y

T

T

A

F

L

L

N

Q

D

Q

C

L

S

C

Q

P

L

D

R

S

L

G

S

T

P

I

L

A

A

A

V

R

A

A

Q

Q

M

V

A

C

Q

Q

R

Q

G

A

E

E

N

H

Q

S

Y

F

V

A

G

G

C

M

A

P

C
|
C

G
|
G

I

I

M
|
M

D
|
D

Q

Q

M

F

I

I

S

S

A

L

M

M

A

G

Q

Q

E

K

E

G

H

H

A

A

L

L

L

L

I

I

D

D

C

C

E

R

D

S

L

L

D

E

C

T

E

S

P

L

V

V

P

P

I
x
L

P
x
S

E
x
D

-

P

S

K

L
|
L

S
x
A

L
x
V

I

L

I

I

V

T

N

N

S

S

N

N

V

V

P
x
R

R

H

G

S

L

L

V

A

D

S

S

S

E

E

Y
|
Y

N

P

L

V

R

R

R

R

E

R

Q

Q

C

C

E

E

Q

E

V

V

A

A

E

R

H

A

F

L

G

G

I

A

E

A

S

S

L

L

R

R

H

E

L

V

E

Q

L

L

R

E

T

E

L

L

E

E

G

A

A

A

K

R

D

D

E

L

L

V

P

S

E

K

V

E

C

G

Y

F

R

R

R

R

A

A

R

R

H

H

V

V

L

V

S

G

E

E

N

I

R

R

R

R

T

T

Q

A

N

Q

A

A

A

A

H

A

A

A

L
|
L

E

R

A

R

G
|
G

N
x
D

I
x
Y

A

R

K

A

L
x
F

S

G

E

R

L

L

M

M

A

V

Q

E

S

S

H

H

Q

R

S

S

M

L

R

R

D

D

D

D

F

Y

E

E

I

V

T

S

V

C

P

P

E

E

I

L

D

D

K

Q

L

L

V

V

E

E

I

A

I

A

D

L

A

A

V

V

V

P

G

G

D

V

R

Y

G

G

G

S

V

-

R

R

M

M

T

T

G
|
G

G
|
G

G

G

F

F

G

G

G

G

C

C

V

T

V

V

A

T

L
|
L

V

L

D

E

H

A

D

S

L

A

T

A

D

P

A

H

V

A

V

M

E

R

A

H

V

I

E

Q

R

E

Q

H

Y

Y

Q

-

A

-

A

-

T

-

G

G

L

G

E

T

A

A

S

T

V

F

Y

Y

L

L

C

S

S

Q

A

A

S

A

Q

D

G

G

A

A

S

K

R

V

L

L

binding beta-D-galactopyranose: R37 (= R29), E43 (= E35), H44 (= H36), D46 (= D38), Y47 (= Y39), C182 (= C171), G183 (= G172), M185 (= M174), D186 (= D175), Y236 (= Y224), G345 (= G334), G346 (= G335)
binding 2-(1,3-benzoxazol-2-ylamino)spiro[1,6,7,8-tetrahydroquinazoline-4,1'-cyclohexane]-5-one: S79 (≠ A71), D83 (vs. gap), R105 (≠ S92), W106 (= W93), Y109 (= Y96), V129 (= V118), S131 (≠ G120), L135 (= L124), G136 (= G125), S141 (= S130), S142 (= S131), L145 (= L134), R228 (≠ P216)
binding 5-chloranyl-2-methoxy-~{N}-(2-methylpropyl)benzamide: L40 (= L32), L213 (≠ I202), S214 (≠ P203), D215 (≠ E204), L218 (= L206), A219 (≠ S207), V220 (≠ L208), L295 (= L283), G298 (= G286), D299 (≠ N287), Y300 (≠ I288), F303 (≠ L291), L355 (= L344)

6q90C Structure of human galactokinase 1 bound with 1-(4-methoxyphenyl)-3- (4-pyridinyl)urea
43% identity, 97% coverage: 8:383/388 of query aligns to 16:389/391 of 6q90C

query
sites
6q90C

A

A

N

R

K

R

L

A

F

F

V

R

Q

E

T

E

F

F

G

G

T

A

T

E

A

P

D

E

D

L

L

A

Y

V

Q

S

A

A

P

P

G

G

R

R

V

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

V

V

L

L

P

P

A

M

A

A

I

L

N

E

F

L

R

M

T
|
T

V

V

I

L

A

V

V

G

K

S

Q

P

R

R

D

D

D

G

-

L

D

V

K

S

F

L

R

L

A

T

V

T

S
|
S

D

E

A
x
G

F

A

-
x
D

-

E

P

P

G

Q

K

R

I

L

Y

Q

T

F

W

P

H

L

F

P

G

T

Q

A

E

Q

G

R

E

S

M

L

D

E

P

P

-

G

N

T

D

P

S
x
R

W
|
W

I

A

N

N

Y
|
Y

L

V

K

K

G

G

F

V

T

I

A

Q

A

Y

V

Y

S

P

A

A

S

A

G

P

L

L

P

P

A

-

K

-

G

G

M

F

D

S

L

A

A

V

V
|
V

V

V

G
x
S

S

S

V

V

P

P

L
|
L

G
|
G

A

G

G

G

L

L

S

S

S
|
S

S
|
S

A

A

A

S

L
|
L

E

E

I

V

A

A

F

T

G

Y

T

T

A

F

L

L

N

Q

D

Q

C

L

S

C

Q

P

L

D

R

S

L

G

S

T

P

I

L

A

A

A

V

R

A

A

Q

Q

M

V

A

C

Q

Q

R

Q

G

A

E

E

N

H

Q

S

Y

F

V

A

G

G

C

M

A

P

C
|
C

G
|
G

I

I

M

M

D
|
D

Q

Q

M

F

I

I

S

S

A

L

M

M

A

G

Q

Q

E

K

E

G

H

H

A

A

L

L

L

L

I

I

D

D

C

C

E

R

D

S

L

L

D

E

C

T

E

S

P

L

V

V

P

P

I
x
L

P
x
S

E
x
D

-
x
P

S

K

L
|
L

S

A

L

V

I

L

I

I

V

T

N

N

S