SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing GFF3172 FitnessBrowser__WCS417:GFF3172 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)

P9WQI3 Trehalose import ATP-binding protein SugC; MtbSugC; Nucleotide-binding domain of SugABC transporter; NBD of SugABC transporter; SugABC transporter ATPase SugC; EC 7.5.2.- from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
39% identity, 95% coverage: 1:345/365 of query aligns to 1:346/393 of P9WQI3

query
sites
P9WQI3

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H193 (= H199) mutation to A: Decreased hydrolysis of ATP. No change in KM, but 2-fold reduction in Vmax compared to wild-type.

2d62A Crystal structure of multiple sugar binding transport atp- binding protein
35% identity, 98% coverage: 1:358/365 of query aligns to 4:369/375 of 2d62A

query
sites
2d62A

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binding pyrophosphate 2-: P40 (= P43), S41 (= S44), G42 (= G45), C43 (= C46), G44 (= G47), K45 (= K48), T46 (≠ S49), T47 (= T50)

1g291 Malk (see paper)
38% identity, 88% coverage: 21:341/365 of query aligns to 15:348/372 of 1g291

query
sites
1g291

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binding magnesium ion: D69 (= D75), E71 (vs. gap), K72 (vs. gap), K79 (≠ E79), D80 (≠ K80), Y228 (≠ F229), D229 (≠ E230), E292 (= E290), D293 (≠ H293), S341 (≠ E334), E342 (≠ D335)
binding pyrophosphate 2-: P37 (= P43), S38 (= S44), G39 (= G45), C40 (= C46), G41 (= G47), K42 (= K48), T43 (≠ S49), T44 (= T50)

Sites not aligning to the query:

binding magnesium ion: 359

8hplC ABC transporter, ATP-binding protein SugC (see paper)
37% identity, 89% coverage: 2:326/365 of query aligns to 1:324/384 of 8hplC

query
sites
8hplC

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K

Q

L

M

R

R

R

A

K

E

L

I

K

S

Q

R

I

L

H

Q

E

D

Q

R

F

L

N

G

I

T

T

T

M

T

V

V

Y

Y

V

V

T

T

H

H

D

D

Q

Q

L

T

E

E

A

A

S

M

T

T

F

L

A

G

D

D

K

R

I

V

A

V

V

V

M

M

Y

L

G

A

G

G

Q

E

I

V

V

Q

Q

Q

F

I

G

G

T

T

P

P

R

D

D

E

L

L

F

Y

E

S

R

S

P

P

S

A

H

N

T

L

F

F

V

V

G

A

Y

G

F

F

I

I

G

G

S

S

P

P

G

A

M

M

N

N

L

F

I

F

E

P

V

A

Q

T

A

R

E

T

A

D

G

V

G

G

V

V

R

R

F

L

A

P

D

F

T

G

H

E

L

V

P

T

L

L

-

T

P

P

A

H

A

M

L

L

Q

D

Q

L

R

L

I

D

A

K

N

Q

T

A

E

R

Y

P

K

E

K

N

L

I

Q

I

V

V

G

G

I

I

R

R

P

P

E

E

F

-

I

-

H

H

V

I

W

E

D

D

E

S

Y

A

N

L

P

L

D

D

-

G

-

Y

-

A

-

R

-

I

-

R

-

A

-

L

-

T

-

F

A

S

L

V

Q

R

A

A

D

D

I

I

T

-

H

-

L

V

E

E

D

S

L

L

G

G

T

A

Y

D

K

K

I

Y

I

V

T

H

L

F

N

T

L

T

D

E

G

G

A

A

binding adenosine-5'-triphosphate: Y12 (= Y13), A16 (= A24), S36 (= S44), G37 (= G45), C38 (= C46), G39 (= G47), K40 (= K48), S41 (= S49), T42 (= T50)

8hprD ABC transporter, ATP-binding protein SugC (see paper)
37% identity, 87% coverage: 2:319/365 of query aligns to 1:319/362 of 8hprD

query
sites
8hprD

A

A

E

E

I

I

H

V

L

L

Q

D

N

R

L

V

A

T

H

K

S

S

Y
|
Y

S

P

P

D

T

V

P

R

S

A

G

-

P

-

E

-

D

-

Y

-

A

A

I

V

R

K

E

E

M

F

N

S

H

M

V

T

W

I

E

A

Q

D

G

G

G

E

A

F

Y

I

A

I

L

L

L

V

G

G

P

P

S
|
S

G

G

C
|
C

G
|
G

K
|
K

S
|
S

T
|
T

L

T

L

L

N

N

I

M

I

I

S

A

G

G

L

L

L

E

S

E

P

I

S

T

E

S

G

G

Q

E

V

L

L

R

F

I

D

G

S

G

K

E

V

R

V

V

N

N

D

E

L

K

T

A

P

P

E

K

K

D

R

R

N

D

I

I

A

A

Q

M

V

V

F

F

Q
|
Q

F

S

P

Y

V

A

V

L

Y

Y

D

P

T

H

M

M

T

T

V

V

F

R

D

Q

N

N

L

I

A

A

F

F

P

P

L

L

R

T

N

L

Q

A

G

K

M

V

A

P

E

K

A

A

K

E

I

I

H

A

S

A

K

K

V

V

Q

E

E

E

I

T

A

A

E

K

V

I

L

L

D

D

L

L

Q

S

N

E

L

L

N

D

K
x
R

K

K

A

P

R
x
G

N
x
Q

L

L

T
x
S

A
x
G

D
x
G

E
x
Q

K

R

Q

Q

K

R

V

V

S

A

M

M

G

G

R

R

G

A

L

I

V

V

R

R

D

S

D

P

V

-

S

K

A

A

I

F

L

L

F

M

D
|
D

E
x
Q

P

P

L

L

T

S

V

N

I

L

D

D

P

A

H

K

L

L

K

R

W

V

K

Q

L

M

R

R

R

A

K

E

L

I

K

S

Q

R

I

L

H

Q

E

D

Q

R

F

L

N

G

I

T

T

T

M

T

V

V

Y

Y

V

V

T

T

H
|
H

D

D

Q

Q

L

T

E

E

A

A

S

M

T

T

F

L

A

G

D

D

K

R

I

V

A

V

V

V

M

M

Y

L

G

A

G

G

Q

E

I

V

V

Q

Q

Q

F

I

G

G

T

T

P

P

R

D

D

E

L

L

F

Y

E

S

R

S

P

P

S

A

H

N

T

L

F

F

V

V

G

A

Y

G

F

F

I

I

G

G

S

S

P

P

G

A

M

M

N

N

L

F

I

F

E

P

V

A

Q

T

A

R

E

T

A

D

G

V

G

G

V

V

R

R

F

L

A

P

D

F

T

G

H

E

L

V

P

T

L

L

-

T

P

P

A

H

A

M

L

L

Q

D

Q

L

R

L

I

D

A

K

N

Q

T

A

E

R

Y

P

K

E

K

N

L

I

Q

I

V

V

G

G

I

I

R

R

P

P

E

E

F

-

I

-

H

H

V

I

W

E

D

D

E

S

Y

A

N

L

P

L

D

D

-

G

-

Y

-

A

-

R

-

I

-

R

-

A

-

L

-

T

-

F

A

S

L

V

Q

R

A

A

D

D

I

I

T

-

H

-

L

V

E

E

D

S

L

L

G

G

T

A

Y

D

K

K

I

Y

I

V

binding adenosine-5'-triphosphate: Y12 (= Y13), S38 (= S44), C40 (= C46), G41 (= G47), K42 (= K48), S43 (= S49), T44 (= T50), Q82 (= Q88), R129 (≠ K135), G132 (≠ R138), Q133 (≠ N139), S135 (≠ T141), G136 (≠ A142), G137 (≠ D143), Q138 (≠ E144), Q159 (≠ E166), H192 (= H199)
binding magnesium ion: S43 (= S49), Q82 (= Q88), D158 (= D165)

8hprC ABC transporter, ATP-binding protein SugC (see paper)
37% identity, 87% coverage: 2:319/365 of query aligns to 1:319/363 of 8hprC

query
sites
8hprC

A

A

E

E

I

I

H

V

L

L

Q

D

N

R

L

V

A

T

H

K

S

S

Y
|
Y

S

P

P

D

T

V

P

R

S

A

G

-

P

-

E

-

D

-

Y

-

A

A

I

V

R

K

E

E

M

F

N

S

H

M

V

T

W

I

E

A

Q

D

G

G

G

E

A

F

Y

I

A

I

L

L

L

V

G

G

P

P

S
|
S

G
|
G

C
|
C

G
|
G

K
|
K

S
|
S

T
|
T

L

T

L

L

N

N

I

M

I

I

S

A

G

G

L

L

L

E

S

E

P

I

S

T

E

S

G

G

Q

E

V

L

L

R

F

I

D

G

S

G

K

E

V

R

V

V

N

N

D

E

L

K

T

A

P

P

E

K

K

D

R

R

N

D

I

I

A

A

Q

M

V

V

F

F

Q
|
Q

F

S

P

Y

V

A

V

L

Y

Y

D

P

T

H

M

M

T

T

V

V

F

R

D

Q

N

N

L

I

A

A

F

F

P

P

L

L

R

T

N

L

Q

A

G

K

M

V

A

P

E

K

A

A

K

E

I

I

H

A

S

A

K

K

V

V

Q

E

E

E

I

T

A

A

E

K

V

I

L

L

D

D

L

L

Q

S

N

E

L

L

N

D

K

R

K

K

A

P

R
x
G

N
x
Q

L
|
L

T
x
S

A
x
G

D
x
G

E
x
Q

K

R

Q

Q

K

R

V

V

S

A

M

M

G

G

R

R

G

A

L

I

V

V

R

R

D

S

D

P

V

-

S

K

A

A

I

F

L

L

F

M

D

D

E

Q

P

P

L

L

T

S

V

N

I

L

D

D

P

A

H

K

L

L

K

R

W

V

K

Q

L

M

R

R

R

A

K

E

L

I

K

S

Q

R

I

L

H

Q

E

D

Q

R

F

L

N

G

I

T

T

T

M

T

V

V

Y

Y

V

V

T

T

H
|
H

D

D

Q

Q

L

T

E

E

A

A

S

M

T

T

F

L

A

G

D

D

K

R

I

V

A

V

V

V

M

M

Y

L

G

A

G

G

Q

E

I

V

V

Q

Q

Q

F

I

G

G

T

T

P

P

R

D

D

E

L

L

F

Y

E

S

R

S

P

P

S

A

H

N

T

L

F

F

V

V

G

A

Y

G

F

F

I

I

G

G

S

S

P

P

G

A

M

M

N

N

L

F

I

F

E

P

V

A

Q

T

A

R

E

T

A

D

G

V

G

G

V

V

R

R

F

L

A

P

D

F

T

G

H

E

L

V

P

T

L

L

-

T

P

P

A

H

A

M

L

L

Q

D

Q

L

R

L

I

D

A

K

N

Q

T

A

E

R

Y

P

K

E

K

N

L

I

Q

I

V

V

G

G

I

I

R

R

P

P

E

E

F

-

I

-

H

H

V

I

W

E

D

D

E

S

Y

A

N

L

P

L

D

D

-

G

-

Y

-

A

-

R

-

I

-

R

-

A

-

L

-

T

-

F

A

S

L

V

Q

R

A

A

D

D

I

I

T

-

H

-

L

V

E

E

D

S

L

L

G

G

T

A

Y

D

K

K

I

Y

I

V

binding adenosine-5'-triphosphate: Y12 (= Y13), S38 (= S44), G39 (= G45), C40 (= C46), G41 (= G47), K42 (= K48), S43 (= S49), T44 (= T50), Q82 (= Q88), G132 (≠ R138), Q133 (≠ N139), L134 (= L140), S135 (≠ T141), G136 (≠ A142), G137 (≠ D143), Q138 (≠ E144), H192 (= H199)
binding magnesium ion: S43 (= S49), Q82 (= Q88)

1vciA Crystal structure of the atp-binding cassette of multisugar transporter from pyrococcus horikoshii ot3 complexed with atp (see paper)
35% identity, 94% coverage: 1:342/365 of query aligns to 4:330/353 of 1vciA

query
sites
1vciA

M

M

A

V

E

E

I

V

H

K

L

L

Q

E

N

N

L

L

A

T

H

K

S

R

Y
x
F

S

G

P

-

T

-

P

-

S

-

G

-

P

-

E

N

D
x
F

Y

T

A

A

I

V

R

N

E

K

M

L

N

N

H

L

V

T

W

I

E

K

Q

D

G

G

G

E

A

F

Y

L

A

V

L

L

G

G

P
|
P

S
|
S

G
|
G

C
|
C

G
|
G

K
|
K

S
x
T

T
|
T

L

T

L

L

N

R

I

M

I

I

S

A

G

G

L

L

L

E

S

E

P

P

S

T

E

E

G

G

Q

R

V

I

L

Y

F

F

D

G

S

D

K

R

V

D

V

V

N

T

D

Y

L

L

T

P

P

P

E

K

K

D

R

R

N

N

I

I

A

S

Q

M

V

V

F

F

Q

Q

F

H

P

-

V

-

Y

-

D

-

T

-

M

M

T

T

V

V

F

Y

D

E

N

N

L

I

A

A

F

F

P

P

L

L

R

K

N

K

Q

-

G

-

M

F

A

P

E

K

A

D

K

E

I

I

H

D

S

K

K

R

V

V

Q

R

E

W

I

A

A

A

E

E

V

L

L

L

D

Q

L

I

Q

E

N

E

L

L

N

N

K

R

K

Y

A

P

R

A

N

Q

L

L

T

S

A

G

D

G

E

Q

K

R

Q

Q

K

R

V

V

S

A

M

V

G

A

R

R

G

A

L

I

V

V

R

V

D

E

D

P

V

-

S

D

A

V

I

L

L

L

F

M

D

D

E

E

P

P

L

L

T

S

V

N

I

L

D

D

P

A

H

K

L

L

K

R

W

V

K

A

L

M

R

R

R

A

K

E

L

I

K

K

Q

K

I

L

H

Q

E

Q

Q

K

F

L

N

K

I

V

T

T

M

T

V

I

Y

Y

V

V

T

T

H

H

D

D

Q

Q

L

V

E

E

A

A

S

M

T

T

F

M

A

G

D

D

K

R

I

I

A

A

V

V

M

M

Y

N

G

R

G

G

Q

Q

I

L

V

L

Q

Q

F

I

G

G

T

S

P

P

R

T

D

E

L

V

F

Y

E

L

R

R

P

P

S

N

H

S

T

V

F

F

V

V

G

A

Y

T

F

F

I

I

G

G

S

A

P

P

G

E

M

M

N

N

L

I

I

L

E

E

V

V

Q

S

A

V

E

G

A

D

G

G

G

Y

V

L

R

E

F

G

A

R

D

G

T

F

H

R

L

I

P

E

L

L

P

P

A

Q

A

-

L

-

Q

M

Q

D

R

L

I

L

A

K

N

D

T

Y

E

V

Y

G

K

K

K

T

L

V

Q

L

V

F

G

G

I

I

R

R

P

P

E

E

F

H

I

M

H

T

V

V

W

E

D

G

E

V

Y

H

-

M

-

K

N

R

P

T

D

A

A

R

L

L

Q

I

A

G

D

K

I

V

T

D

H

F

L

V

E

E

D

A

L

L

G

G

T

T

Y

D

K

T

I

I

I

L

T

H

L

V

N

K

L

F

D

G

G

D

A

E

L

L

L

V

K

K

V

V

R

K

L

L

A

P

E

G

D

H

K

I

P

P

V

I

P

E

E

P

G

G

K

R

binding adenosine-5'-triphosphate: F16 (≠ Y13), F19 (≠ D22), P40 (= P43), S41 (= S44), G42 (= G45), C43 (= C46), G44 (= G47), K45 (= K48), T46 (≠ S49), T47 (= T50)

P68187 Maltose/maltodextrin import ATP-binding protein MalK; EC 7.5.2.1 from Escherichia coli (strain K12) (see 5 papers)
36% identity, 86% coverage: 1:315/365 of query aligns to 1:312/371 of P68187

query
sites
P68187

M

M

A

A

E

S

I

V

H

Q

L

L

Q

Q

N

N

L

V

A

T

H

K

S

A

Y

W

S

G

P

-

T

-

P

-

S

-

G

-

P

-

E

E

D

V

Y

V

A

V

I

S

R

K

E

D

M

I

N

N

H

L

V

D

W

I

E

H

Q

E

G

G

G

E

A

F

Y

V

A

V

L

F

L

V

G

G

P

P

S

S

G

G

C

C

G

G

K

K

S

S

T

T

L

L

N

R

I

M

I

I

S

A

G

G

L

L

L

E

S

T

P

I

S

T

E

S

G

G

Q

D

V

L

L

F

F

I

D

G

S

E

K

K

V

R

V

M

N

N

D

D

L

T

T

P

P

P

E

A

K

E

R

R

N

G

I

V

A

G

Q

M

V

V

F

F

Q

Q

F

S

P

Y

V
x
A

V

L

Y

Y

D

P

T

H

M

L

T

S

V

V

F

A

D

E

N

N

L

M

A

S

F

F

P

G

L

L

R

K

N

L

Q

A

G

G

M

A

A
x
K

E

K

A

E

K

V

I

I

H

N

S

Q

K

R

V
|
V

Q

N

E

Q

I
x
V

A

A

E
|
E

V

V

L

L

D

Q

L

L

Q
x
A

N

H

L

L

N

D

K

R

K

K

A

P

R

K

N

A

L

L

T

S

A

G

D
x
G

E

Q

K

R

Q

Q

K

R

V

V

S

A

M

I

G

G

R

R

G

T

L

L

V

V

R

A

D

E

D

P

V

-

S

S

A

V

I

F

L

L

F

L

D
|
D

E

E

P

P

L

L

T

S

V

N

I

L

D

D

P

A

H

A

L

L

K

R

W

V

K

Q

L

M

R

R

R

I

K

E

L

I

K

S

Q

R

I

L

H

H

E

K

Q

R

F

L

N

G

I

R

T

T

M

M

V

I

Y

Y

V

V

T

T

H

H

D

D

Q

Q

L

V

E

E

A

A

S

M

T

T

F

L

A

A

D

D

K

K

I

I

A

V

V

V

M

L

Y

D

G

A

G

G

Q

R

I

V

V

A

Q

Q

F

V

G

G

T

K

P

P

R

L

D

E

L

L

F

Y

E

H

R

Y

P

P

S

A

H

D

T
x
R

F

F

V

V

G

A

Y

G

F

F

I

I

G

G

S

S

P

P

G

K

M

M

N

N

L
x
F

I

L

E

P

V

V

Q

K

A

V

E

T

A

A

G

T

G

A

V

I

R

D

F

Q

A

V

D

Q

T

V

H

E

L

L

P

P

L

M

P

P

A

N

A

R

L

-

Q

Q

R

V

I
x
W

A

L

N

P

T

V

E

E

Y

S

K

R

K

D

L

V

Q

Q

V

V

-
x
G

-

A

-

N

-

M

-
x
S

-

L

G
|
G

I

I

R

R

P

P

E

E

F

-

I

-

H

H

V

L

W

L

D

P

E

S

Y

D

N

I

P

A

D

D

A

V

-

I

L

L

Q

E

A
x
G

D

E

I

V

T

Q

H

V

L

V

E
|
E

D

Q

L

L

G

G

T

N

A85 (≠ V91) mutation to M: Suppressor of EAA loop mutations in MalFG.
K106 (≠ A112) mutation to C: Suppressor of EAA loop mutations in MalFG.
V114 (= V120) mutation to C: Suppressor of EAA loop mutations in MalFG.
V117 (≠ I123) mutation to M: Suppressor of EAA loop mutations in MalFG.
E119 (= E125) mutation to K: Resistant to inhibitory effects of alpha-methylglucoside but retains transport capacity.
A124 (≠ Q130) mutation to T: Resistant to inhibitory effects of alpha-methylglucoside but retains transport capacity.
G137 (≠ D143) mutation to A: Loss of maltose transport. Has greater ability to decrease mal gene expression than wild-type MalK.
D158 (= D165) mutation to N: Loss of maltose transport but retains ability to repress mal genes.
R228 (≠ T235) mutation to C: Resistant to inhibitory effects of alpha-methylglucoside but retains transport capacity.
F241 (≠ L248) mutation to I: Resistant to inhibitory effects of alpha-methylglucoside but retains transport capacity.
W267 (≠ I275) mutation to G: Normal maltose transport but constitutive mal gene expression.
G278 (vs. gap) mutation to P: Resistant to inhibitory effects of alpha-methylglucoside but retains transport capacity.
S282 (vs. gap) mutation to L: Resistant to inhibitory effects of alpha-methylglucoside but retains transport capacity.
G284 (= G286) mutation to S: Resistant to inhibitory effects of alpha-methylglucoside but retains transport capacity.
G302 (≠ A305) mutation to D: Resistant to inhibitory effects of alpha-methylglucoside but retains transport capacity.
E308 (= E311) mutation to Q: Maltose transport is affected but retains ability to interact with MalT.

Sites not aligning to the query:

322 S→F: Resistant to inhibitory effects of alpha-methylglucoside but retains transport capacity.
340 G→A: Maltose transport is affected but retains ability to interact with MalT.
346 G→S: Normal maltose transport but constitutive mal gene expression.
355 F→Y: Maltose transport is affected but retains ability to interact with MalT.

3puyA Crystal structure of an outward-facing mbp-maltose transporter complex bound to amp-pnp after crystal soaking of the pretranslocation state (see paper)
36% identity, 86% coverage: 2:315/365 of query aligns to 1:311/371 of 3puyA

query
sites
3puyA

A

A

E

S

I

V

H

Q

L

L

Q

Q

N

N

L

V

A

T

H

K

S

A

Y
x
W

S

G

P

-

T

-

P

-

S

-

G

-

P

-

E

E

D

V

Y

V

A
x
V

I

S

R

K

E

D

M

I

N

N

H

L

V

D

W

I

E

H

Q

E

G

G

G

E

A

F

Y

V

A

V

L

F

L

V

G

G

P
|
P

S
|
S

G
|
G

C
|
C

G
|
G

K
|
K

S
|
S

T
|
T

L

L

N

R

I

M

I

I

S

A

G

G

L

L

L

E

S

T

P

I

S

T

E

S

G

G

Q

D

V

L

L

F

F

I

D

G

S

E

K

K

V

R

V

M

N

N

D

D

L

T

T

P

P

P

E

A

K

E

R

R

N

G

I

V

A

G

Q

M

V

V

F

F

Q
|
Q

F

S

P

Y

V

A

V

L

Y

Y

D

P

T

H

M

L

T

S

V

V

F

A

D

E

N

N

L

M

A

S

F

F

P

G

L

L

R

K

N

L

Q

A

G

G

M

A

A

K

E

K

A

E

K

V

I

I

H

N

S

Q

K

R

V

V

Q

N

E

Q

I

V

A

A

E

E

V

V

L

L

D

Q

L

L

Q

A

N

H

L

L

N

D

K
x
R

K

K

A

P

R

K

N
x
A

L

L

T
x
S

A
x
G

D
x
G

E
x
Q

K

R

Q

Q

K

R

V

V

S

A

M

I

G

G

R

R

G

T

L

L

V

V

R

A

D

E

D

P

V

-

S

S

A

V

I

F

L

L

F

L

D
|
D

E
|
E

P

P

L

L

T

S

V

N

I

L

D

D

P

A

H

A

L

L

K

R

W

V

K

Q

L

M

R

R

R

I

K

E

L

I

K

S

Q

R

I

L

H

H

E

K

Q

R

F

L

N

G

I

R

T

T

M

M

V

I

Y

Y

V

V

T

T

H
|
H

D

D

Q

Q

L

V

E

E

A

A

S

M

T

T

F

L

A

A

D

D

K

K

I

I

A

V

V

V

M

L

Y

D

G

A

G

G

Q

R

I

V

V

A

Q

Q

F

V

G

G

T

K

P

P

R

L

D

E

L

L

F

Y

E

H

R

Y

P

P

S

A

H

D

T

R

F

F

V

V

G

A

Y

G

F

F

I

I

G

G

S

S

P

P

G

K

M

M

N

N

L

F

I

L

E

P

V

V

Q

K

A

V

E

T

A

A

G

T

G

A

V

I

R

D

F

Q

A

V

D

Q

T

V

H

E

L

L

P

P

L

M

P

P

A

N

A

R

L

-

Q

Q

R

V

I

W

A

L

N

P

T

V

E

E

Y

S

K

R

K

D

L

V

Q

Q

V

V

-

G

-

A

-

N

-

M

-

S

-

L

G

G

I

I

R

R

P

P

E

E

F

-

I

-

H

H

V

L

W

L

D

P

E

S

Y

D

N

I

P

A

D

D

A

V

-

I

L

L

Q

E

A

G

D

E

I

V

T

Q

H

V

L

V

E

E

D

Q

L

L

G

G

T

N

binding phosphoaminophosphonic acid-adenylate ester: W12 (≠ Y13), V17 (≠ A24), P36 (= P43), S37 (= S44), G38 (= G45), C39 (= C46), G40 (= G47), K41 (= K48), S42 (= S49), T43 (= T50), Q81 (= Q88), R128 (≠ K135), A132 (≠ N139), S134 (≠ T141), G135 (≠ A142), G136 (≠ D143), Q137 (≠ E144), E158 (= E166), H191 (= H199)
binding magnesium ion: S42 (= S49), Q81 (= Q88), D157 (= D165)

3puxA Crystal structure of an outward-facing mbp-maltose transporter complex bound to adp-bef3 (see paper)
36% identity, 86% coverage: 2:315/365 of query aligns to 1:311/371 of 3puxA

query
sites
3puxA

A

A

E

S

I

V

H

Q

L

L

Q

Q

N

N

L

V

A

T

H

K

S

A

Y
x
W

S

G

P

-

T

-

P

-

S

-

G

-

P

-

E

E

D

V

Y

V

A
x
V

I

S

R

K

E

D

M

I

N

N

H

L

V

D

W

I

E

H

Q

E

G

G

G

E

A

F

Y

V

A

V

L

F

L

V

G

G

P

P

S
|
S

G
|
G

C
|
C

G
|
G

K
|
K

S
|
S

T
|
T

L

L

N

R

I

M

I

I

S

A

G

G

L

L

L

E

S

T

P

I

S

T

E

S

G

G

Q

D

V

L

L

F

F

I

D

G

S

E

K

K

V

R

V

M

N

N

D

D

L

T

T

P

P

P

E

A

K

E

R

R

N

G

I

V

A

G

Q

M

V

V

F

F

Q
|
Q

F

S

P

Y

V

A

V

L

Y

Y

D

P

T

H

M

L

T

S

V

V

F

A

D

E

N

N

L

M

A

S

F

F

P

G

L

L

R

K

N

L

Q

A

G

G

M

A

A

K

E

K

A

E

K

V

I

I

H

N

S

Q

K

R

V

V

Q

N

E

Q

I

V

A

A

E

E

V

V

L

L

D

Q

L

L

Q

A

N

H

L

L

N

D

K
x
R

K

K

A

P

R

K

N
x
A

L
|
L

T
x
S

A
x
G

D
x
G

E
x
Q

K

R

Q

Q

K

R

V

V

S

A

M

I

G

G

R

R

G

T

L

L

V

V

R

A

D

E

D

P

V

-

S

S

A

V

I

F

L

L

F

L

D
|
D

E
|
E

P

P

L

L

T

S

V

N

I

L

D

D

P

A

H

A

L

L

K

R

W

V

K

Q

L

M

R

R

R

I

K

E

L

I

K

S

Q

R

I

L

H

H

E

K

Q

R

F

L

N

G

I

R

T

T

M

M

V

I

Y

Y

V

V

T

T

H
|
H

D

D

Q

Q

L

V

E

E

A

A

S

M

T

T

F

L

A

A

D

D

K

K

I

I

A

V

V

V

M

L

Y

D

G

A

G

G

Q

R

I

V

V

A

Q

Q

F

V

G

G

T

K

P

P

R

L

D

E

L

L

F

Y

E

H

R

Y

P

P

S

A

H

D

T

R

F

F

V

V

G

A

Y

G

F

F

I

I

G

G

S

S

P

P

G

K

M

M

N

N

L

F

I

L

E

P

V

V

Q

K

A

V

E

T

A

A

G

T

G

A

V

I

R

D

F

Q

A

V

D

Q

T

V

H

E

L

L

P

P

L

M

P

P

A

N

A

R

L

-

Q

Q

R

V

I

W

A

L

N

P

T

V

E

E

Y

S

K

R

K

D

L

V

Q

Q

V

V

-

G

-

A

-

N

-

M

-

S

-

L

G

G

I

I

R

R

P

P

E

E

F

-

I

-

H

H

V

L

W

L

D

P

E

S

Y

D

N

I

P

A

D

D

A

V

-

I

L

L

Q

E

A

G

D

E

I

V

T

Q

H

V

L

V

E

E

D

Q

L

L

G

G

T

N

binding adenosine-5'-diphosphate: W12 (≠ Y13), V17 (≠ A24), S37 (= S44), G38 (= G45), C39 (= C46), G40 (= G47), K41 (= K48), S42 (= S49), T43 (= T50), R128 (≠ K135), A132 (≠ N139), L133 (= L140), S134 (≠ T141), Q137 (≠ E144)
binding beryllium trifluoride ion: S37 (= S44), G38 (= G45), K41 (= K48), Q81 (= Q88), S134 (≠ T141), G135 (≠ A142), G136 (≠ D143), E158 (= E166), H191 (= H199)
binding magnesium ion: S42 (= S49), Q81 (= Q88), D157 (= D165)

3puwA Crystal structure of an outward-facing mbp-maltose transporter complex bound to adp-alf4 (see paper)
36% identity, 86% coverage: 2:315/365 of query aligns to 1:311/371 of 3puwA

query
sites
3puwA

A

A

E

S

I

V

H

Q

L

L

Q

Q

N

N

L

V

A

T

H

K

S

A

Y
x
W

S

G

P

-

T

-

P

-

S

-

G

-

P

-

E

E

D

V

Y

V

A
x
V

I

S

R

K

E

D

M

I

N

N

H

L

V

D

W

I

E

H

Q

E

G

G

G

E

A

F

Y

V

A

V

L

F

L

V

G

G

P

P

S
|
S

G
|
G

C
|
C

G
|
G

K
|
K

S
|
S

T
|
T

L

L

N

R

I

M

I

I

S

A

G

G

L

L

L

E

S

T

P

I

S

T

E

S

G

G

Q

D

V

L

L

F

F

I

D

G

S

E

K

K

V

R

V

M

N

N

D

D

L

T

T

P

P

P

E

A

K

E

R

R

N

G

I

V

A

G

Q

M

V

V

F

F

Q
|
Q

F

S

P

Y

V

A

V

L

Y

Y

D

P

T

H

M

L

T

S

V

V

F

A

D

E

N

N

L

M

A

S

F

F

P

G

L

L

R

K

N

L

Q

A

G

G

M

A

A

K

E

K

A

E

K

V

I

I

H

N

S

Q

K

R

V

V

Q

N

E

Q

I

V

A

A

E

E

V

V

L

L

D

Q

L

L

Q

A

N

H

L

L

N

D

K
x
R

K

K

A

P

R

K

N
x
A

L

L

T
x
S

A
x
G

D
x
G

E
x
Q

K

R

Q

Q

K

R

V

V

S

A

M

I

G

G

R

R

G

T

L

L

V

V

R

A

D

E

D

P

V

-

S

S

A

V

I

F

L

L

F

L

D

D

E
|
E

P

P

L

L

T

S

V
x
N

I

L

D

D

P

A

H

A

L

L

K

R

W

V

K

Q

L

M

R

R

R

I

K

E

L

I

K

S

Q

R

I

L

H

H

E

K

Q

R

F

L

N

G

I

R

T

T

M

M

V

I

Y

Y

V

V

T

T

H
|
H

D

D

Q

Q

L

V

E

E

A

A

S

M

T

T

F

L

A

A

D

D

K

K

I

I

A

V

V

V

M

L

Y

D

G

A

G

G

Q

R

I

V

V

A

Q

Q

F

V

G

G

T

K

P

P

R

L

D

E

L

L

F

Y

E

H

R

Y

P

P

S

A

H

D

T

R

F

F

V

V

G

A

Y

G

F

F

I

I

G

G

S

S

P

P

G

K

M

M

N

N

L

F

I

L

E

P

V

V

Q

K

A

V

E

T

A

A

G

T

G

A

V

I

R

D

F

Q

A

V

D

Q

T

V

H

E

L

L

P

P

L

M

P

P

A

N

A

R

L

-

Q

Q

R

V

I

W

A

L

N

P

T

V

E

E

Y

S

K

R

K

D

L

V

Q

Q

V

V

-

G

-

A

-

N

-

M

-

S

-

L

G

G

I

I

R

R

P

P

E

E

F

-

I

-

H

H

V

L

W

L

D

P

E

S

Y

D

N

I

P

A

D

D

A

V

-

I

L

L

Q

E

A

G

D

E

I

V

T

Q

H

V

L

V

E

E

D

Q

L

L

G

G

T

N

binding adenosine-5'-diphosphate: W12 (≠ Y13), V17 (≠ A24), S37 (= S44), G38 (= G45), C39 (= C46), G40 (= G47), K41 (= K48), S42 (= S49), T43 (= T50), R128 (≠ K135), A132 (≠ N139), S134 (≠ T141), Q137 (≠ E144)
binding tetrafluoroaluminate ion: S37 (= S44), G38 (= G45), K41 (= K48), Q81 (= Q88), S134 (≠ T141), G135 (≠ A142), G136 (≠ D143), E158 (= E166), N162 (≠ V170), H191 (= H199)
binding magnesium ion: S42 (= S49), Q81 (= Q88)

2awoA Crystal structure of the adp-mg-bound e. Coli malk (crystallized with adp-mg) (see paper)
35% identity, 88% coverage: 2:323/365 of query aligns to 1:319/372 of 2awoA

query
sites
2awoA

A

A

E

S

I

V

H

Q

L

L

Q

Q

N

N

L

V

A

T

H

K

S

A

Y
x
W

S

G

P

-

T

-

P

-

S

-

G

-

P

-

E

E

D

V

Y

V

A
x
V

I

S

R

K

E

D

M

I

N

N

H

L

V

D

W

I

E

H

Q

E

G

G

G

E

A

F

Y

V

A

V

L

F

L

V

G

G

P

P

S
|
S

G
|
G

C
|
C

G
|
G

K
|
K

S
|
S

T
|
T

L

L

N

R

I

M

I

I

S

A

G

G

L

L

L

E

S

T

P

I

S

T

E

S

G

G

Q

D

V

L

L

F

F

I

D

G

S

E

K

K

V

R

V

M

N

N

D

D

L

T

T

P

P

P

E

A

K

E

R

R

N

G

I

V

A

G

Q

M

V

V

F

F

Q

Q

F

S

P

Y

V

A

V

L

Y

Y

D

P

T

H

M

L

T

S

V

V

F

A

D

E

N

N

L

M

A

S

F

F

P

G

L

L

R

K

N

L

Q

A

G

G

M

A

A

K

E

K

A

E

K

V

I

I

H

N

S

Q

K

R

V

V

Q

N

E

Q

I

V

A

A

E

E

V

V

L

L

D

Q

L

L

Q

A

N

H

L

L

N

D

K

R

K

K

A

P

R

K

N

A

L

L

T

S

A

G

D

G

E

Q

K

R

Q

Q

K

R

V

V

S

A

M

I

G

G

R

R

G

T

L

L

V

V

R

A

D

E

D

P

V

-

S

S

A

V

I

F

L

L

F

L

D
|
D

E

E

P

P

L

L

T

S

V

N

I

L

D

D

P

A

H

A

L

L

K

R

W

V

K

Q

L

M

R

R

R

I

K

E

L

I

K

S

Q

R

I

L

H

H

E

K

Q

R

F

L

N

G

I

R

T

T

M

M

V

I

Y

Y

V

V

T

T

H

H

D

D

Q

Q

L

V

E

E

A

A

S

M

T

T

F

L

A

A

D

D

K

K

I

I

A

V

V

V

M

L

Y

D

G

A

G

G

Q

R

I

V

V

A

Q

Q

F

V

G

G

T

K

P

P

R

L

D

E

L

L

F

Y

E

H

R

Y

P

P

S

A

H

D

T

R

F

F

V

V

G

A

Y

G

F

F

I

I

G

G

S

S

P

P

G

K

M

M

N

N

L

F

I

L

E

P

V

V

Q

K

A

V

E

T

A

A

G

T

G

A

V

I

R

D

F

Q

A

V

D

Q

T

V

H

E

L

L

P

P

L

M

P

P

A

N

A

R

L

-

Q

Q

R

V

I

W

A

L

N

P

T

V

E

E

Y

S

K

R

K

D

L

V

Q

Q

V

V

-

G

-

A

-

N

-

M

-

S

-

L

G

G

I

I

R

R

P

P

E

E

F

-

I

-

H

H

V

L

W

L

D

P

E

S

Y

D

N

I

P

A

D

D

A

V

-

I

L

L

Q

E

A

G

D

E

I

V

T

Q

H

V

L

V

E

E

D

Q

L

L

G

G

T

N

Y

E

K

T

I

Q

I

I

T

H

L

I

N

Q

L

I

binding adenosine-5'-diphosphate: W12 (≠ Y13), V17 (≠ A24), S37 (= S44), G38 (= G45), C39 (= C46), G40 (= G47), K41 (= K48), S42 (= S49), T43 (= T50)
binding magnesium ion: S42 (= S49), D157 (= D165)

2awnB Crystal structure of the adp-mg-bound e. Coli malk (crystallized with atp-mg) (see paper)
35% identity, 88% coverage: 2:323/365 of query aligns to 1:319/374 of 2awnB

query
sites
2awnB

A

A

E

S

I

V

H

Q

L

L

Q

Q

N

N

L

V

A

T

H

K

S

A

Y
x
W

S

G

P

-

T

-

P

-

S

-

G

-

P

-

E

E

D

V

Y

V

A
x
V

I

S

R

K

E

D

M

I

N

N

H

L

V

D

W

I

E

H

Q

E

G

G

G

E

A

F

Y

V

A

V

L

F

L

V

G

G

P

P

S
|
S

G
|
G

C
|
C

G
|
G

K
|
K

S
|
S

T
|
T

L

L

N

R

I

M

I

I

S

A

G

G

L

L

L

E

S

T

P

I

S

T

E

S

G

G

Q

D

V

L

L

F

F

I

D

G

S

E

K

K

V

R

V

M

N

N

D

D

L

T

T

P

P

P

E

A

K

E

R

R

N

G

I

V

A

G

Q

M

V

V

F

F

Q

Q

F

S

P

Y

V

A

V

L

Y

Y

D

P

T

H

M

L

T

S

V

V

F

A

D

E

N

N

L

M

A

S

F

F

P

G

L

L

R

K

N

L

Q

A

G

G

M

A

A

K

E

K

A

E

K

V

I

I

H

N

S

Q

K

R

V

V

Q

N

E

Q

I

V

A

A

E

E

V

V

L

L

D

Q

L

L

Q

A

N

H

L

L

N

D

K

R

K

K

A

P

R

K

N

A

L

L

T

S

A

G

D

G

E

Q

K

R

Q

Q

K

R

V

V

S

A

M

I

G

G

R

R

G

T

L

L

V

V

R

A

D

E

D

P

V

-

S

S

A

V

I

F

L

L

F

L

D

D

E

E

P

P

L

L

T

S

V

N

I

L

D

D

P

A

H

A

L

L

K

R

W

V

K

Q

L

M

R

R

R

I

K

E

L

I

K

S

Q

R

I

L

H

H

E

K

Q

R

F

L

N

G

I

R

T

T

M

M

V

I

Y

Y

V

V

T

T

H

H

D

D

Q

Q

L

V

E

E

A

A

S

M

T

T

F

L

A

A

D

D

K

K

I

I

A

V

V

V

M

L

Y

D

G

A

G

G

Q

R

I

V

V

A

Q

Q

F

V

G

G

T

K

P

P

R

L

D

E

L

L

F

Y

E

H

R

Y

P

P

S

A

H

D

T

R

F

F

V

V

G

A

Y

G

F

F

I

I

G

G

S

S

P

P

G

K

M

M

N

N

L

F

I

L

E

P

V

V

Q

K

A

V

E

T

A

A

G

T

G

A

V

I

R

D

F

Q

A

V

D

Q

T

V

H

E

L

L

P

P

L

M

P

P

A

N

A

R

L

-

Q

Q

R

V

I

W

A

L

N

P

T

V

E

E

Y

S

K

R

K

D

L

V

Q

Q

V

V

-

G

-

A

-

N

-

M

-

S

-

L

G

G

I

I

R

R

P

P

E

E

F

-

I

-

H

H

V

L

W

L

D

P

E

S

Y

D

N

I

P

A

D

D

A

V

-

I

L

L

Q

E

A

G

D

E

I

V

T

Q

H

V

L

V

E

E

D

Q

L

L

G

G

T

N

Y

E

K

T

I

Q

I

I

T

H

L

I

N

Q

L

I

binding adenosine-5'-diphosphate: W12 (≠ Y13), V17 (≠ A24), S37 (= S44), G38 (= G45), C39 (= C46), G40 (= G47), K41 (= K48), S42 (= S49), T43 (= T50)

1q12A Crystal structure of the atp-bound e. Coli malk (see paper)
36% identity, 85% coverage: 4:315/365 of query aligns to 1:309/367 of 1q12A

query
sites
1q12A

I

V

H

Q

L

L

Q

Q

N

N

L

V

A

T

H

K

S

A

Y
x
W

S

G

P

-

T

-

P

-

S

-

G

-

P

-

E

E

D

V

Y

V

A
x
V

I

S

R

K

E

D

M

I

N

N

H

L

V

D

W

I

E

H

Q

E

G

G

G

E

A

F

Y

V

A

V

L

F

L

V

G

G

P

P

S
|
S

G
|
G

C
|
C

G
|
G

K
|
K

S
|
S

T
|
T

L

L

N

R

I

M

I

I

S

A

G

G

L

L

L

E

S

T

P

I

S

T

E

S