SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Pf1N1B4_1711 ABC-type polar amino acid transport system, ATPase component 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)

3c4jA Abc protein artp in complex with atp-gamma-s
54% identity, 92% coverage: 4:241/260 of query aligns to 3:240/242 of 3c4jA

query
sites
3c4jA

L

M

I

I

E

D

F

V

K

H

G

Q

F

L

N

K

K

K

F

S

F
|
F

G

G

E

S

Q

L

Q

E

V
|
V

L

L

D

K

G

G

I

I

D

N

L

V

Q

H

V

I

K

R

P

E

G

G

E

E

V

V

I

V

V

V

I

V

L

I

G

G

P
|
P

S
|
S

G
|
G

C
x
S

G
|
G

K
|
K

S
|
S

T
|
T

L

F

L

L

R

R

C

C

L

L

N

N

G

L

L

L

E

E

V

D

A

F

H

D

S

E

G

G

S

E

L

I

N

I

F

I

A

D

G

G

R

I

E

N

L

L

L

K

D

A

K

K

G

D

T

T

D

N

W

L

R

N

E

K

V

V

R

R

Q

E

I

V

G

G

M

M

V

V

F

F

Q

Q

S

R

Y

F

H

N

L

L

F

F

P

P

H

H

M

M

S

T

V

V

L

L

D

N

N

N

L

I

L

T

L

L

G

A

P

P

L

M

K

K

V

V

Q

R

K

K

R

W

E

P

R

R

R

E

E

K

A

A

R

E

A

A

Q

K

A

A

E

M

A

E

L

L

E

D

R

K

V

V

G

G

L

L

L

K

D

D

K

K

R

A

E
x
H

A

A

F
x
Y

P

P

R

D

Q

S

L

L

S

S

G

G

Q

Q

Q

A

Q

Q

R

R

I

V

A

A

I

I

V

A

R

R

S

A

L

L

C

A

M

M

N

E

P

P

K

K

V

I

M

M

L

L

F

F

D

D

E
|
E

V

P

T

T

A

S

A

A

L

L

D

D

P

P

E

E

M

M

V

V

K

G

E

E

V

V

L

L

E

S

V

V

I

M

Q

K

G

Q

L

L

A

A

R

N

E

E

G

G

M

M

T

T

L

M

L

V

I

V

V

V

T

T

H

H

E

E

M

M

A

G

F

F

A

A

R

R

A

E

V

V

A

G

D

D

R

R

I

V

V

L

F

F

M

M

D

D

A

G

G

G

R

Y

I

I

L

I

E

E

Q

E

H

G

P

K

P

P

E

E

I

D

F

L

F

F

T

D

N

R

P

P

Q

Q

T

H

A

E

R

R

A

T

Q

K

Q

A

F

F

L

L

E

S

K

K

binding phosphothiophosphoric acid-adenylate ester: F13 (= F14), V18 (= V19), P37 (= P38), S38 (= S39), G39 (= G40), S40 (≠ C41), G41 (= G42), K42 (= K43), S43 (= S44), T44 (= T45), H133 (≠ E134), Y135 (≠ F136), E164 (= E165)

3c41J Abc protein artp in complex with amp-pnp/mg2+
54% identity, 92% coverage: 4:241/260 of query aligns to 3:240/242 of 3c41J

query
sites
3c41J

L

M

I

I

E

D

F

V

K

H

G

Q

F

L

N

K

K

K

F

S

F
|
F

G

G

E

S

Q

L

Q

E

V
|
V

L

L

D

K

G

G

I

I

D

N

L

V

Q

H

V

I

K

R

P

E

G

G

E

E

V

V

I

V

V

V

I

V

L

I

G

G

P
|
P

S
|
S

G
|
G

C
x
S

G
|
G

K
|
K

S
|
S

T
|
T

L

F

L

L

R
|
R

C

C

L

L

N

N

G

L

L

L

E

E

V

D

A

F

H

D

S

E

G

G

S

E

L

I

N

I

F

I

A

D

G

G

R

I

E

N

L

L

L

K

D

A

K

K

G

D

T

T

D

N

W

L

R

N

E

K

V

V

R

R

Q

E

I

V

G

G

M

M

V

V

F

F

Q

Q

S

R

Y

F

H

N

L

L

F

F

P

P

H

H

M

M

S

T

V

V

L

L

D

N

N

N

L

I

L

T

L

L

G

A

P

P

L

M

K

K

V

V

Q

R

K

K

R

W

E

P

R

R

R

E

E

K

A

A

R

E

A

A

Q

K

A

A

E

M

A

E

L

L

E

D

R

K

V

V

G

G

L

L

L

K

D

D

K

K

R

A

E
x
H

A

A

F
x
Y

P

P

R

D

Q

S

L

L

S

S

G

G

Q

Q

Q

A

Q

Q

R

R

I

V

A

A

I

I

V

A

R

R

S

A

L

L

C

A

M

M

N

E

P

P

K

K

V

I

M

M

L

L

F

F

D
|
D

E

E

V

P

T

T

A

S

A

A

L

L

D

D

P

P

E

E

M

M

V

V

K

G

E

E

V

V

L

L

E

S

V

V

I

M

Q

K

G

Q

L

L

A

A

R

N

E

E

G

G

M

M

T

T

L

M

L

V

I

V

V

V

T

T

H

H

E

E

M

M

A

G

F

F

A

A

R

R

A

E

V

V

A

G

D

D

R

R

I

V

V

L

F

F

M

M

D

D

A

G

G

G

R

Y

I

I

L

I

E

E

Q

E

H

G

P

K

P

P

E

E

I

D

F

L

F

F

T

D

N

R

P

P

Q

Q

T

H

A

E

R

R

A

T

Q

K

Q

A

F

F

L

L

E

S

K

K

binding phosphoaminophosphonic acid-adenylate ester: F13 (= F14), V18 (= V19), P37 (= P38), S38 (= S39), G39 (= G40), S40 (≠ C41), G41 (= G42), K42 (= K43), S43 (= S44), T44 (= T45), R47 (= R48), H133 (≠ E134), Y135 (≠ F136)
binding magnesium ion: S43 (= S44), D163 (= D164)

2olkA Abc protein artp in complex with adp-beta-s
54% identity, 92% coverage: 4:241/260 of query aligns to 3:240/242 of 2olkA

query
sites
2olkA

L

M

I

I

E

D

F

V

K

H

G

Q

F

L

N

K

K

K

F

S

F
|
F

G

G

E

S

Q
x
L

Q

E

V
|
V

L

L

D

K

G

G

I

I

D

N

L

V

Q

H

V

I

K

R

P

E

G

G

E

E

V

V

I

V

V

V

I

V

L

I

G

G

P

P

S
|
S

G
|
G

C
x
S

G
|
G

K
|
K

S
|
S

T
|
T

L

F

L

L

R

R

C

C

L

L

N

N

G

L

L

L

E

E

V

D

A

F

H

D

S

E

G

G

S

E

L

I

N

I

F

I

A

D

G

G

R

I

E

N

L

L

L

K

D

A

K

K

G

D

T

T

D

N

W

L

R

N

E

K

V

V

R

R

Q

E

I

V

G

G

M

M

V

V

F

F

Q

Q

S

R

Y

F

H

N

L

L

F

F

P

P

H

H

M

M

S

T

V

V

L

L

D

N

N

N

L

I

L

T

L

L

G

A

P

P

L

M

K

K

V

V

Q

R

K

K

R

W

E

P

R

R

R

E

E

K

A

A

R

E

A

A

Q

K

A

A

E

M

A

E

L

L

E

D

R

K

V

V

G

G

L

L

L

K

D

D

K

K

R

A

E

H

A

A

F

Y

P

P

R

D

Q

S

L

L

S

S

G

G

Q

Q

Q

A

Q

Q

R

R

I

V

A

A

I

I

V

A

R

R

S

A

L

L

C

A

M

M

N

E

P

P

K

K

V

I

M

M

L

L

F

F

D

D

E

E

V

P

T

T

A

S

A

A

L

L

D

D

P

P

E

E

M

M

V

V

K

G

E

E

V

V

L

L

E

S

V

V

I

M

Q

K

G

Q

L

L

A

A

R

N

E

E

G

G

M

M

T

T

L

M

L

V

I

V

V

V

T

T

H

H

E

E

M

M

A

G

F

F

A

A

R

R

A

E

V

V

A

G

D

D

R

R

I

V

V

L

F

F

M

M

D

D

A

G

G

G

R

Y

I

I

L

I

E

E

Q

E

H

G

P

K

P

P

E

E

I

D

F

L

F

F

T

D

N

R

P

P

Q

Q

T

H

A

E

R

R

A

T

Q

K

Q

A

F

F

L

L

E

S

K

K

binding 5'-o-[(r)-hydroxy(thiophosphonooxy)phosphoryl]adenosine: F13 (= F14), L16 (≠ Q17), V18 (= V19), S38 (= S39), G39 (= G40), S40 (≠ C41), G41 (= G42), K42 (= K43), S43 (= S44), T44 (= T45)

2oljA Abc protein artp in complex with adp/mg2+
54% identity, 92% coverage: 4:241/260 of query aligns to 3:240/242 of 2oljA

query
sites
2oljA

L

M

I

I

E

D

F

V

K

H

G

Q

F

L

N

K

K

K

F

S

F
|
F

G

G

E

S

Q

L

Q

E

V
|
V

L

L

D

K

G

G

I

I

D

N

L

V

Q

H

V

I

K

R

P

E

G

G

E

E

V

V

I

V

V

V

I

V

L

I

G

G

P

P

S
|
S

G
|
G

C
x
S

G
|
G

K
|
K

S
|
S

T
|
T

L

F

L

L

R

R

C

C

L

L

N

N

G

L

L

L

E

E

V

D

A

F

H

D

S

E

G

G

S

E

L

I

N

I

F

I

A

D

G

G

R

I

E

N

L

L

L

K

D

A

K

K

G

D

T

T

D

N

W

L

R

N

E

K

V

V

R

R

Q

E

I

V

G

G

M

M

V

V

F

F

Q

Q

S

R

Y

F

H

N

L

L

F

F

P

P

H

H

M

M

S

T

V

V

L

L

D

N

N

N

L

I

L

T

L

L

G

A

P

P

L

M

K

K

V

V

Q

R

K

K

R

W

E

P

R

R

R

E

E

K

A

A

R

E

A

A

Q

K

A

A

E

M

A

E

L

L

E

D

R

K

V

V

G

G

L

L

L

K

D

D

K

K

R

A

E
x
H

A

A

F
x
Y

P

P

R

D

Q

S

L

L

S

S

G

G

Q

Q

Q

A

Q

Q

R

R

I

V

A

A

I

I

V

A

R

R

S

A

L

L

C

A

M

M

N

E

P

P

K

K

V

I

M

M

L

L

F

F

D

D

E

E

V

P

T

T

A

S

A

A

L

L

D

D

P

P

E

E

M

M

V

V

K

G

E

E

V

V

L

L

E

S

V

V

I

M

Q

K

G

Q

L

L

A

A

R

N

E

E

G

G

M

M

T

T

L

M

L

V

I

V

V

V

T

T

H

H

E

E

M

M

A

G

F

F

A

A

R

R

A

E

V

V

A

G

D

D

R

R

I

V

V

L

F

F

M

M

D

D

A

G

G

G

R

Y

I

I

L

I

E

E

Q

E

H

G

P

K

P

P

E

E

I

D

F

L

F

F

T

D

N

R

P

P

Q

Q

T

H

A

E

R

R

A

T

Q

K

Q

A

F

F

L

L

E

S

K

K

binding adenosine-5'-diphosphate: F13 (= F14), V18 (= V19), S38 (= S39), G39 (= G40), S40 (≠ C41), G41 (= G42), K42 (= K43), S43 (= S44), T44 (= T45), H133 (≠ E134), Y135 (≠ F136)

4u00A Crystal structure of ttha1159 in complex with adp (see paper)
53% identity, 93% coverage: 4:244/260 of query aligns to 2:241/241 of 4u00A

query
sites
4u00A

L

I

I

I

E

R

F

I

K

R

G

N

F

L

N

H

K

K

F

W

F
|
F

G

G

E

P

Q
x
L

Q

H

V
|
V

L

L

D

K

G

G

I

I

D

H

L

L

Q

E

V

V

K

A

P

P

G

G

E

E

V

K

I

L

V

V

I

I

L

I

G

G

P

P

S
|
S

G
|
G

C
x
S

G
|
G

K
|
K

S
|
S

T
|
T

L

L

L

I

R

R

C

T

L

I

N

N

G

R

L

L

E

E

V

D

A

F

H

Q

S

E

G

G

S

E

L

V

N

V

F

V

A

D

G

G

R

L

E

S

L

V

L

K

D

D

K

D

G

R

T

A

D

-

W

L

R

R

E

E

V

I

R

R

Q

R

Q

E

I

V

G

G

M

M

V

V

F

F

Q

Q

S

Q

Y

F

H

N

L

L

F

F

P

P

H

H

M

M

S

T

V

V

L

L

D

E

N

N

L

V

L

T

L

L

G

A

P

P

L

M

K

R

V

V

Q

R

K

R

R

W

E

P

R

R

R

E

E

K

A

A

R

E

A

K

Q

K

A

A

E

L

A

E

L

L

E

E

R

R

V

V

G

G

L

I

L

L

D

D

K

Q

R

A

E

R

A

K

F

Y

P

P

R

A

Q

Q

L

L

S

S

G

G

Q

Q

R

R

I

V

A

A

I

I

V

A

R

R

S

A

L

L

C

A

M

M

N

E

P

P

K

K

V

I

M

M

L

L

F

F

D

D

E

E

V

P

T

T

A

S

A

A

L

L

D

D

P

P

E

E

M

M

V

V

K

G

E

E

V

V

L

L

E

D

V

V

I

M

Q

R

G

D

L

L

A

A

R

Q

E

G

G

G

M

M

T

T

L

M

L

V

I

V

V

V

T

T

H

H

E

E

M

M

A

G

F

F

A

A

R

R

A

E

V

V

A

A

D

D

R

R

I

V

V

V

F

F

M

M

D

D

A

G

G

G

R

Q

I

I

L

V

E

E

Q

E

H

G

P

R

P

P

E

E

I

E

F

I

F

F

T

T

N

R

P

P

Q

K

T

E

A

E

R

R

A

T

Q

R

Q

S

F

F

L

L

E

Q

K

R

F

V

S

L

Y

H

binding adenosine-5'-diphosphate: F12 (= F14), L15 (≠ Q17), V17 (= V19), S37 (= S39), G38 (= G40), S39 (≠ C41), G40 (= G42), K41 (= K43), S42 (= S44), T43 (= T45)

4ymuJ Crystal structure of an amino acid abc transporter complex with arginines and atps (see paper)
53% identity, 89% coverage: 12:242/260 of query aligns to 9:239/240 of 4ymuJ

query
sites
4ymuJ

K

K

F

N

F
|
F

G

G

E

S

Q
x
L

Q

E

V
|
V

L

L

D

K

G

G

I

V

D

T

L

L

Q

K

V

V

K

N

P

K

G

G

E

E

V

V

I

V

V

V

I

I

L

I

G

G

P

P

S
|
S

G
|
G

C
x
S

G
|
G

K
|
K

S
|
S

T
|
T

L

L

R

R

C

C

L

I

N

N

G

L

L

L

E
|
E

V

E

A

P

H

T

S

K

G

G

S

E

L

V

N

F

F

I

A

D

G

G

R

V

E

K

L

I

L

N

D

N

K

G

G

K

T

V

D

N

W

I

R

N

E

K

V

V

R

R

Q

Q

Q

K

I

V

G

G

M

M

V

V

F

F

Q

Q

S

H

Y

F

H

N

L

L

F

F

P

P

H

H

M

L

S

T

V

A

L

I

D

E

N

N

L

I

L

T

L

L

G

A

P

P

L

V

K

K

V

V

Q

K

K

K

R

M

E

N

R

K

E

E

A

A

R

E

A

E

Q

L

A

A

E

V

A

D

L

L

E

A

R

K

V

V

G

G

L

L

D

D

K

K

R

K

E

D

A

Q

F

Y

P

P

R

I

Q

K

L

L

S

S

G

G

Q

Q

Q

K

Q

Q

R

R

I

L

A

A

I

I

V

A

R

R

S

A

L

L

C

A

M

M

N

Q

P

P

K

E

V

V

M

M

L

L

F

F

D

D

E
|
E

V

P

T

T

A

S

A

A

L

L

D

D

P

P

E

E

M

M

V

V

K

K

E

E

V

V

L

L

E

N

V

V

I

M

Q

K

G

Q

L

L

A

A

R

N

E

E

G

G

M

M

T

T

L

M

L

V

I

V

V

V

T

T

H
|
H

E

E

M

M

A

G

F

F

A

A

R

R

A

E

V

V

A

G

D

D

R

R

I

V

V

I

F

F

M

M

D

D

A

D

G

G

R

V

I

I

L

V

E

E

Q

E

H

G

P

T

P

P

E

E

I

E

F

I

F

F

T

Y

N

R

P

A

Q

K

T

N

A

E

R

R

A

T

Q

R

Q

E

F

F

L

L

E

S

K

K

F

I

binding adenosine-5'-triphosphate: F11 (= F14), L14 (≠ Q17), V16 (= V19), S36 (= S39), G37 (= G40), S38 (≠ C41), G39 (= G42), K40 (= K43), S41 (= S44), T42 (= T45), E51 (= E54), E162 (= E165), H194 (= H197)
binding magnesium ion: S41 (= S44), E162 (= E165)

1b0uA Atp-binding subunit of the histidine permease from salmonella typhimurium (see paper)
44% identity, 89% coverage: 10:240/260 of query aligns to 8:250/258 of 1b0uA

query
sites
1b0uA

F

L

N

H

K

K

F

R

F
x
Y

G

G

E

G

Q
x
H

Q

E

V
|
V

L

L

D

K

G

G

I

V

D

S

L

L

Q

Q

V

A

K

R

P

A

G

G

E

D

V

V

I

I

V

S

I

I

L

I

G

G

P

S

S
|
S

G
|
G

C
x
S

G
|
G

K
|
K

S
|
S

T
|
T

L

F

L

L

R

R

C

C

L

I

N

N

G

F

L

L

E

E

V

K

A

P

H

S

S

E

G

G

S

A

L

I

N

I

F

V

A

N

G

G

R

Q

E

N

L

I

-

N

-

L

-

V

L

R

D

D

K

K

G

D

-

G

-

Q

-

L

-

K

-

V

-

A

-

D

-

K

T

N

D

Q

W

L

R

R

E

L

V

L

R

R

Q

T

Q

R

I

L

G

T

M

M

V

V

F

F

Q

Q

S

H

Y

F

H

N

L

L

F

W

P

S

H

H

M

M

S

T

V

V

L

L

D

E

N

N

L

V

L

M

L

E

G

A

P

P

L

I

K

Q

V

V

Q

L

K

G

R

L

E

S

R

K

R

H

E

D

A

A

R

R

A

E

Q

R

A

A

E

L

A

K

L

Y

L

L

E

A

R

K

V

V

G

G

L

I

L

D

D

E

K

R

R

A

E

Q

A

G

-

K

F

Y

P

P

R

V

Q

H

L

L

S

S

G

G

Q

Q

R

R

I

V

A

S

I

I

V

A

R

R

S

A

L

L

C

A

M

M

N

E

P

P

K

D

V

V

M

L

L

L

F

F

D

D

E

E

V

P

T

T

A

S

A

A

L

L

D

D

P

P

E

E

M

L

V

V

K

G

E

E

V

V

L

L

E

R

V

I

I

M

Q

Q

G

Q

L

L

A

A

R

E

E

E

G

G

M

K

T

T

L

M

L

V

I

V

V

V

T

T

H

H

E

E

M

M

A

G

F

F

A

A

R

R

A

H

V

V

A

S

D

S

R

H

I

V

V

I

F

F

M

L

D

H

A

Q

G

G

R

K

I

I

L

E

E

E

Q

E

H

G

P

D

P

P

E

E

I

Q

F

V

F

F

T

G

N

N

P

P

Q

Q

T

S

A

P

R

R

A

L

Q

Q

F

F

L

L

E

K

binding adenosine-5'-triphosphate: Y12 (≠ F14), H15 (≠ Q17), V17 (= V19), S37 (= S39), G38 (= G40), S39 (≠ C41), G40 (= G42), K41 (= K43), S42 (= S44), T43 (= T45)

P30750 Methionine import ATP-binding protein MetN; EC 7.4.2.11 from Escherichia coli (strain K12) (see 3 papers)
37% identity, 92% coverage: 4:241/260 of query aligns to 1:243/343 of P30750

query
sites
P30750

L

M

I

I

E

K

F

L

K

S

G

N

F

I

N

T

K

K

F

V

F

F

G

H

E

Q

Q

G

-

T

-

R

-

T

-

I

Q

Q

V

A

L

L

D

N

G

N

I

V

D

S

L

L

Q

H

V

V

K

P

P

A

G

G

E

Q

V

I

I

Y

V

G

I

V

L

I

G

G

P

A

S
|
S

G
|
G

C
x
A

G
|
G

K
|
K

S
|
S

T
|
T

L

L

L

I

R

R

C

C

L

V

N

N

G

L

L

L

E

E

V

R

A

P

H

T

S

E

G

G

S

S

L

V

N

L

F

V

A

D

G

G

R

Q

E

E

L

L

L

T

D

T

-

L

K

S

G

E

T

S

D

E

W

L

R

T

E

K

V

A

R

R

Q

R

Q

Q

I

I

G

G

M

M

V

I

F

F

Q

Q

S

H

Y

F

H

N

L

L

F

L

P

S

H

S

M

R

S

T

V

V

L

F

D

G

N

N

L

V

L

A

L

L

G

-

P

P

L

L

K

E

V

L

Q

D

K

N

R

T

E

P

R

K

R

D

E

E

A

V

R

K

A

R

Q

R

A

V

E

T

A

E

L

L

E

S

R

L

V

V

G

G

L

L

L

G

D

D

K

K

R

H

E

D

A

S

F

Y

P

P

R

S

Q

N

L

L

S

S

G

G

Q

Q

Q

K

Q

Q

R

R

I

V

A

A

I

I

V

A

R

R

S

A

L

L

C

A

M

S

N

N

P

P

K

K

V

V

M

L

L

L

F

C

D

D

E
|
E

V

A

T

T

A

S

A

A

L

L

D

D

P

P

E

A

M

T

V

T

K

R

E

S

V

I

L

L

E

E

V

L

I

L

Q

K

G

D

L

I

A

N

R

R

E

R

-

L

G

G

M

L

T

T

L

I

L

L

I

L

V

I

T

T

H

H

E

E

M

M

A

D

F

V

A

V

R

K

A

R

V

I

A

C

D

D

R

C

I

V

V

A

F

V

M

I

D

S

A

N

G

G

R

E

I

L

L

I

E

E

Q

Q

H

D

P

T

P

V

E

S

I

E

F

V

F

F

T

S

N

H

P

P

Q

K

T

T

A

P

R

L

A

A

Q

Q

Q

K

F

F

L

I

E

Q

K

S

40:46 (vs. 39:45, 86% identical) binding
E166 (= E165) mutation to Q: Exhibits little ATPase activity.

Sites not aligning to the query:

278:283 binding
295 N→A: Reduces the binding of L-methionine to undetectable levels.
295:296 binding

6cvlD Crystal structure of the escherichia coli atpgs-bound metni methionine abc transporter in complex with its metq binding protein (see paper)
37% identity, 92% coverage: 4:241/260 of query aligns to 2:244/344 of 6cvlD

query
sites
6cvlD

L

M

I

I

E

K

F

L

K

S

G

N

F

I

N

T

K

K

F

V

F
|
F

G

H

E
x
Q

Q

G

-

T

-

R

-

T

-
x
I

Q

Q

V

A

L

L

D

N

G

N

I

V

D

S

L

L

Q

H

V

V

K

P

P

A

G

G

E

Q

V

I

I

Y

V

G

I

V

L

I

G

G

P

A

S
|
S

G
|
G

C
x
A

G
|
G

K
|
K

S
|
S

T
|
T

L

L

L

I

R

R

C

C

L

V

N

N

G

L

L

L

E

E

V

R

A

P

H

T

S

E

G

G

S

S

L

V

N

L

F

V

A

D

G

G

R

Q

E

E

L

L

L

T

D

T

-

L

K

S

G

E

T

S

D

E

W

L

R

T

E

K

V

A

R

R

Q

R

Q

Q

I

I

G

G

M

M

V

I

F

F

Q

Q

S

H

Y

F

H

N

L

L

F

L

P

S

H

S

M

R

S

T

V

V

L

F

D

G

N

N

L

V

L

A

L

L

G

-

P

P

L

L

K

E

V

L

Q

D

K

N

R

T

E

P

R

K

R

D

E

E

A

V

R

K

A

R

Q

R

A

V

E

T

A

E

L

L

E

S

R

L

V

V

G

G

L

L

L

G

D

D

K

K

R

H

E

D

A

S

F

Y

P

P

R

S

Q
x
N

L
|
L

S
|
S

G
|
G

Q
|
Q

Q

K

Q

Q

R

R

I

V

A

A

I

I

V

A

R

R

S

A

L

L

C

A

M

S

N

N

P

P

K

K

V

V

M

L

L

L

F

C

D

D

E

Q

V

A

T

T

A

S

A

A

L

L

D

D

P

P

E

A

M

T

V

T

K

R

E

S

V

I

L

L

E

E

V

L

I

L

Q

K

G

D

L

I

A

N

R

R

E

R

-

L

G

G

M

L

T

T

L

I

L

L

I

L

V

I

T

T

H
|
H

E

E

M

M

A

D

F

V

A

V

R

K

A

R

V

I

A

C

D

D

R

C

I

V

V

A

F

V

M

I

D

S

A

N

G

G

R

E

I

L

L

I

E

E

Q

Q

H

D

P

T

P

V

E

S

I

E

F

V

F

F

T

S

N

H

P

P

Q

K

T

T

A

P

R

L

A

A

Q

Q

Q

K

F

F

L

I

E

Q

K

S

binding phosphothiophosphoric acid-adenylate ester: F12 (= F14), Q14 (≠ E16), I19 (vs. gap), S41 (= S39), G42 (= G40), A43 (≠ C41), G44 (= G42), K45 (= K43), S46 (= S44), T47 (= T45), N141 (≠ Q139), L142 (= L140), S143 (= S141), G144 (= G142), G145 (= G143), Q146 (= Q144), H200 (= H197)

3tuzC Inward facing conformations of the metni methionine abc transporter: cy5 semet soak crystal form (see paper)
37% identity, 92% coverage: 4:241/260 of query aligns to 2:244/344 of 3tuzC

query
sites
3tuzC

L

M

I

I

E

K

F

L

K

S

G

N

F

I

N

T

K

K

F

V

F
|
F

G

H

E
x
Q

Q

G

-

T

-

R

-

T

-

I

Q

Q

V
x
A

L

L

D

N

G

N

I

V

D

S

L

L

Q

H

V

V

K

P

P

A

G

G

E

Q

V

I

I

Y

V

G

I

V

L

I

G

G

P

A

S

S

G
|
G

C
x
A

G
|
G

K
|
K

S
|
S

T
|
T

L

L

L

I

R

R

C

C

L

V

N

N

G

L

L

L

E

E

V

R

A

P

H

T

S

E

G

G

S

S

L

V

N

L

F

V

A

D

G

G

R

Q

E

E

L

L

L

T

D

T

-

L

K

S

G

E

T

S

D

E

W

L

R

T

E

K

V

A

R

R

Q

R

Q

Q

I

I

G

G

M

M

V

I

F

F

Q

Q

S

H

Y

F

H

N

L

L

F

L

P

S

H

S

M

R

S

T

V

V

L

F

D

G

N

N

L

V

L

A

L

L

G

-

P

P

L

L

K

E

V

L

Q

D

K

N

R

T

E

P

R

K

R

D

E

E

A

V

R

K

A

R

Q

R

A

V

E

T

A

E

L

L

E

S

R

L

V

V

G

G

L

L

L

G

D

D

K

K

R

H

E

D

A

S

F

Y

P

P

R

S

Q

N

L

L

S

S

G

G

Q

Q

Q

K

Q

Q

R

R

I

V

A

A

I

I

V

A

R

R

S

A

L

L

C

A

M

S

N

N

P

P

K

K

V

V

M

L

L

L

F

C

D

D

E

Q

V

A

T

T

A

S

A

A

L

L

D

D

P

P

E

A

M

T

V

T

K

R

E

S

V

I

L

L

E

E

V

L

I

L

Q

K

G

D

L

I

A

N

R

R

E

R

-

L

G

G

M

L

T

T

L

I

L

L

I

L

V

I

T

T

H

H

E

E

M

M

A

D

F

V

A

V

R

K

A

R

V

I

A

C

D

D

R

C

I

V

V

A

F

V

M

I

D

S

A

N

G

G

R

E

I

L

L

I

E

E

Q

Q

H

D

P

T

P

V

E

S

I

E

F

V

F

F

T

S

N

H

P

P

Q

K

T

T

A

P

R

L

A

A

Q

Q

Q

K

F

F

L

I

E

Q

K

S

binding adenosine-5'-diphosphate: F12 (= F14), Q14 (≠ E16), A21 (≠ V19), G42 (= G40), A43 (≠ C41), G44 (= G42), K45 (= K43), S46 (= S44), T47 (= T45)

Sites not aligning to the query:

binding selenomethionine: 274, 279, 281, 282, 283, 284, 311, 312, 313

3tuiC Inward facing conformations of the metni methionine abc transporter: cy5 native crystal form (see paper)
37% identity, 92% coverage: 4:241/260 of query aligns to 2:244/344 of 3tuiC

query
sites
3tuiC

L

M

I

I

E

K

F

L

K

S

G

N

F

I

N

T

K

K

F

V

F
|
F

G

H

E
x
Q

Q

G

-

T

-

R

-

T

-

I

Q

Q

V

A

L

L

D

N

G

N

I

V

D

S

L

L

Q

H

V

V

K

P

P

A

G

G

E

Q

V

I

I

Y

V

G

I

V

L

I

G

G

P

A

S
|
S

G
|
G

C
x
A

G
|
G

K
|
K

S
|
S

T
|
T

L

L

L

I

R

R

C

C

L

V

N

N

G

L

L

L

E

E

V

R

A

P

H

T

S

E

G

G

S

S

L

V

N

L

F

V

A

D

G

G

R

Q

E

E

L

L

L

T

D

T

-

L

K

S

G

E

T

S

D

E

W

L

R

T

E

K

V

A

R

R

Q

R

Q

Q

I

I

G

G

M

M

V

I

F

F

Q

Q

S

H

Y

F

H

N

L

L

F

L

P

S

H

S

M

R

S

T

V

V

L

F

D

G

N

N

L

V

L

A

L

L

G

-

P

P

L

L

K

E

V

L

Q

D

K

N

R

T

E

P

R

K

R

D

E

E

A

V

R

K

A

R

Q

R

A

V

E

T

A

E

L

L

E

S

R

L

V

V

G

G

L

L

L

G

D

D

K

K

R

H

E

D

A

S

F

Y

P

P

R

S

Q

N

L

L

S

S

G

G

Q

Q

Q

K

Q

Q

R

R

I

V

A

A

I

I

V

A

R

R

S

A

L

L

C

A

M

S

N

N

P

P

K

K

V

V

M

L

L

L

F

C

D

D

E

Q

V

A

T

T

A

S

A

A

L

L

D

D

P

P

E

A

M

T

V

T

K

R

E

S

V

I

L

L

E

E

V

L

I

L

Q

K

G

D

L

I

A

N

R

R

E

R

-

L

G

G

M

L

T

T

L

I

L

L

I

L

V

I

T

T

H

H

E

E

M

M

A

D

F

V

A

V

R

K

A

R

V

I

A

C

D

D

R

C

I

V

V

A

F

V

M

I

D

S

A

N

G

G

R

E

I

L

L

I

E

E

Q

Q

H

D

P

T

P

V

E

S

I

E

F

V

F

F

T

S

N

H

P

P

Q

K

T

T

A

P

R

L

A

A

Q

Q

Q

K

F

F

L

I

E

Q

K

S

binding adenosine-5'-diphosphate: F12 (= F14), Q14 (≠ E16), S41 (= S39), G42 (= G40), A43 (≠ C41), G44 (= G42), K45 (= K43), S46 (= S44), T47 (= T45)

P69874 Spermidine/putrescine import ATP-binding protein PotA; EC 7.6.2.11 from Escherichia coli (strain K12) (see 3 papers)
36% identity, 95% coverage: 1:247/260 of query aligns to 14:256/378 of P69874

query
sites
P69874

M

L

S

S

A

P

L

L

I

V

E

Q

F

L

K

A

G

G

F

I

N

R

K

K

F
x
C

F
|
F

G

D

E

G

Q

K

Q

E

V

V

L

I

D

P

G

Q

I

L

D

D

L

L

Q

T

V

I

K

N

P

N

G

G

E

E

V
x
F

I

L

V

T

I

L

L

L

G

G

P

P

S

S

G

G

C
|
C

G

G

K

K

S

T

T

T

L

V

L
|
L

R

R

C

L

L

I

N

A

G

G

L

L

E

E

V

T

A

V

H

D

S

S

G

G

S

R

L

I

N

M

F
x
L

A

D

G

N

R

E

E

D

L

I

L

T

D

H

K

V

G

P

T

A

D

E

W

N

R

R

E

Y

V

V

R

-

Q

-

I

-

G

N

M

T

V

V

F

F

Q

Q

S

S

Y

Y

H

A

L

L

F

F

P

P

H

H

M

M

S

T

V

V

L

F

D

E

N

N

L

V

L

A

L

F

G

G

P

-

L

L

K

R

V

M

Q

Q

K

K

R

T

E

P

R

A

E

E

A

I

R

T

A

P

Q

R

A

V

E

M

A

E

L

A

L

L

E

R

R

M

V
|
V

G

Q

L

L

L

E

D

T

K

F

R

A

E

Q

A

R

F

K

P

P

R

H

Q

Q

L

L

S

S

G

G

Q

Q

R

R

I

V

A

A

I

I

V

A

R

R

S

A

L

V

C

V

M

N

N

K

P

P

K

R

V

L

M

L

L

L

F

L

D
|
D

E

E

V

S

T

L

A

S

A

A

L

L

D

D

P

Y

E

K

M

L

V

R

K

K

E

Q

V

M

L

Q

E

N

V

E

I

L

Q

K

G

A

L

L

A

Q

R

R

E

K

-

L

G

G

M

I

T

T

L

F

L

V

I

F

V

V

T

T

H

H

E

D

M

Q

A

E

F

E

A

A

R

L

A

T

V

M

A

S

D

D

R

R

I

I

V

V

F

V

M

M

D

R

A

D

G

G

R

R

I

I

L

E

E

Q

Q

D

H

G

P

T

P

P

E

R

I

E

F

I

F

Y

T

E

N

E

P

P

Q

K

T

N

A

L

R

F

A

V

Q

A

Q

G

F

F

L

I

E

G

K

E

F

I

S

N

Y

M

V

F

A

N

A

A

C26 (≠ F13) mutation to A: Lower ATPase activity and transport efficiency.
F27 (= F14) mutation to L: Lower ATPase activity and transport efficiency.
F45 (≠ V32) mutation to L: Lower ATPase activity and transport efficiency.
C54 (= C41) mutation to T: Loss of ATPase activity and transport.
L60 (= L47) mutation to F: Lower ATPase activity and transport efficiency.
L76 (≠ F63) mutation to P: Lower ATPase activity and transport efficiency.
V135 (= V127) mutation to M: Loss of ATPase activity and transport.
D172 (= D164) mutation to N: Loss of ATPase activity and transport.

Sites not aligning to the query:

276 C→A: Lower ATPase activity and transport efficiency.
297 mutation E->K,D: Lower ATPase activity and transport efficiency.; E→Q: Loss of ATPase activity and transport.

7ahhC Opua inhibited inward-facing, sbd docked (see paper)
36% identity, 90% coverage: 24:258/260 of query aligns to 46:282/382 of 7ahhC

query
sites
7ahhC

D

N

L

F

Q

E

V

I

K

N

P

E

G

G

E

E

V

I

I

F

V

V

I

I

L

M

G

G

P

L

S
|
S

G
|
G

C
x
S

G
|
G

K
|
K

S
|
S

T
|
T

L

L

R

R

C

L

L

L

N

N

G

R

L

L

E

I

V

E

A

P

H

T

S

S

G

G

S

K

L

I

N

F

F

I

A

D

G

N

R

Q

E

D

L

V

-

A

-

T

L

L

D

N

K

K

G

E

T

D

D

L

W

L

R

Q

E

V

V

R

R

R

Q

K

Q

T

I

M

G

S

M

M

V

V

F

F

Q

Q

S

N

Y

F

H

G

L

L

F

F

P

P

H

H

M

R

S

T

V

I

L

L

D

E

N

N

L

T

L

E

L

Y

G

G

P

-

L

L

K

E

V

V

Q

Q

K

N

R

V

E

P

R

K

R

E

E

E

A

R

R

R

A

K

Q

R

A

A

E

E

A

K

L

A

L

L

E

D

R

N

V

A

G

N

L

L

D

D

K

F

R

K

E

D

A

Q

F

Y

P

P

R

K

Q

Q

L

L

S

S

G

G

Q

M

Q

Q

R

R

I

V

A

G

I

L

V

A

R

R

S

A

L

L

C

A

M

N

N

D

P

P

K

E

V

I

M

L

L

L

F

M

D
|
D

E
|
E

V

A

T

F

A

S

A

A

L

L

D

D

P

P

-

L

-

I

-

R

E

E

M

M

V

Q

K

D

E

E

V

L

L

L

E

E

V

L

I

-

Q

-

G

-

L

Q

A

A

R

K

E

F

G

Q

M

K

T

T

L

I

I

F

V

V

T

S

H

H

E

D

M

L

A

N

F

E

A

A

R

L

A

R

V

I

A

G

D

D

R

R

I

I

V

A

F

I

M

M

D

K

A

D

G

G

R

K

I

I

L

M

E

Q

Q

I

H

G

P

T

P

G

E

E

I

E

F

I

F

L

T

T

N

N

P

P

Q

A

T

N

A

D

R

Y

A

V

Q

K

Q

T

F

F

L

V

E

E

K

D

F

T

S

A

Y

E

V

N

A

I

A

M

L
x
I

P
|
P

K

A

T
x
L

T

T

Q

T

T

N

K

I

E

D

L

V

E

D

binding (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide: I272 (≠ L248), P273 (= P249), L275 (≠ T251)
binding phosphoaminophosphonic acid-adenylate ester: S61 (= S39), G62 (= G40), S63 (≠ C41), G64 (= G42), K65 (= K43), S66 (= S44), T67 (= T45), D187 (= D164), E188 (= E165)

Sites not aligning to the query:

7aheC Opua inhibited inward facing (see paper)
36% identity, 90% coverage: 24:258/260 of query aligns to 46:282/382 of 7aheC

query
sites
7aheC

D

N

L

F

Q

E

V

I

K

N

P

E

G

G

E

E

V

I

I

F

V

V

I

I

L

M

G

G

P

L

S

S

G

G

C

S

G

G

K

K

S

S

T

T

L

L

R

R

C

L

L

L

N

N

G

R

L

L

E

I

V

E

A

P

H

T

S

S

G

G

S

K

L

I

N

F

F

I

A

D

G

N

R

Q

E

D

L

V

-

A

-

T

L

L

D

N

K

K

G

E

T

D

D

L

W

L

R

Q

E

V

V

R

R

R

Q

K

Q

T

I

M

G

S

M

M

V

V

F

F

Q

Q

S

N

Y

F

H

G

L

L

F

F

P

P

H

H

M

R

S

T

V

I

L

L

D

E

N

N

L

T

L

E

L

Y

G

G

P

-

L

L

K

E

V

V

Q

Q

K

N

R

V

E

P

R

K

R

E

E

E

A

R

R

R

A

K

Q

R

A

A

E

E

A

K

L

A

L

L

E

D

R

N

V

A

G

N

L

L

D

D

K

F

R

K

E

D

A

Q

F

Y

P

P

R

K

Q

Q

L

L

S

S

G

G

Q

M

Q

Q

R

R

I

V

A

G

I

L

V

A

R

R

S

A

L

L

C

A

M

N

N

D

P

P

K

E

V

I

M

L

L

L

F

M

D

D

E

E

V

A

T

F

A

S

A

A

L

L

D

D

P

P

-

L

-

I

-

R

E

E

M

M

V

Q

K

D

E

E

V

L

L

L

E

E

V

L

I

-

Q

-

G

-

L

Q

A

A

R

K

E

F

G

Q

M

K

T

T

L

I

I

F

V

V

T

S

H

H

E

D

M

L

A

N

F

E

A

A

R

L

A

R

V

I

A

G

D

D

R

R

I

I

V

A

F

I

M

M

D

K

A

D

G

G

R

K

I

I

L

M

E

Q

Q

I

H

G

P

T

P

G

E

E

I

E

F

I

F

L

T

T

N

N

P

P

Q

A

T

N

A

D

R

Y

A

V

Q

K

Q

T

F

F

L

V

E

E

K

D

F

T

S

A

Y

E

V

N

A

I

A

M

L

I

P

P

K

A

T
x
L

T

T

Q

T

T

N

K

I

E

D

L

V

E

D

binding (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide: L275 (≠ T251)

Sites not aligning to the query:

binding (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide: 295, 296, 297, 298, 357, 372

2awoA Crystal structure of the adp-mg-bound e. Coli malk (crystallized with adp-mg) (see paper)
39% identity, 92% coverage: 3:242/260 of query aligns to 1:232/372 of 2awoA

query
sites
2awoA

A

A

L

S

I

V

E

Q

F

L

K

Q

G

N

F

V

N

T

K

K

F

A

F
x
W

G

G

E

E

Q

V

V
|
V

L

S

D

K

G

D

I

I

D

N

L

L

Q

D

V

I

K

H

P

E

G

G

E

E

V

F

I

V

V

V

I

F

L

V

G

G

P

P

S
|
S

G
|
G

C
|
C

G
|
G

K
|
K

S
|
S

T
|
T

L

L

R

R

C

M

L

I

N

A

G

G

L

L

E

E

V

T

A

I

H

T

S

S

G

G

S

D

L

L

N

-

F

F

A

I

G

G

R

E

E

K

L

R

L

M

D

N

K

-

G

-

T

-

D

D

W

T

R

P

E

P

V

A

R

E

Q

R

Q

G

I

V

G

G

M

M

V

V

F

F

Q

Q

S

S

Y

Y

H

A

L

L

F

Y

P

P

H

H

M

L

S

S

V

V

L

A

D

E

N

N

L

M

L

S

L

F

G

G

-

L

P

K

L

L

K

A

V

G

Q

A

K

K

R

K

E

E

R

V

R

I

E

N

A

Q

R

R

A

V

-

N

Q

Q

A

V

E

A

A

E

L

V

L

L

E

Q

R

L

V

A

G

H

L

L

D

D

K

R

R

K

E

-

A

-

F

-

P

P

R

K

Q

A

L

L

S

S

G

G

Q

Q

Q

R

Q

Q

R

R

I

V

A

A

I

I

V

G

R

R

S

T

L

L

C

V

M

A

N

E

P

P

K

S

V

V

M

F

L

L

F

L

D
|
D

E

E

V

P

T

L

A

S

A

N

L

L

D

D

P

A

E

A

M

L

-

R

V

V

K

Q

E

M

V

R

L

I

E

E

V

I

I

S

Q

R

G

L

L

H

A

K

R

R

E

L

G

G

M

R

T

T

L

M

L

I

I

Y

V

V

T

T

H

H

E

D

M

Q

A

V

F

E

A

A

R

M

A

T

V

L

A

A

D

D

R

K

I

I

V

V

F

V

M

L

D

D

A

A

G

G

R

R

I

V

L

A

E

Q

Q

V

H

G

P

K

P

P

E

L

I

E

F

L

F

Y

T

H

N

Y

P

P

Q

-

T

-

A

-

R

-

A

A

Q

D

Q

R

F

F

L

V

E

A

K

G

F

F

binding adenosine-5'-diphosphate: W12 (≠ F14), V17 (= V19), S37 (= S39), G38 (= G40), C39 (= C41), G40 (= G42), K41 (= K43), S42 (= S44), T43 (= T45)
binding magnesium ion: S42 (= S44), D157 (= D164)

2awnB Crystal structure of the adp-mg-bound e. Coli malk (crystallized with atp-mg) (see paper)
39% identity, 92% coverage: 3:242/260 of query aligns to 1:232/374 of 2awnB

query
sites
2awnB

A

A

L

S

I

V

E

Q

F

L

K

Q

G

N

F

V

N

T

K

K

F

A

F
x
W

G

G

E

E

Q

V

V
|
V

L

S

D

K

G

D

I

I

D

N

L

L

Q

D

V

I

K

H

P

E

G

G

E

E

V

F

I

V

V

V

I

F

L

V

G

G

P

P

S
|
S

G
|
G

C
|
C

G
|
G

K
|
K

S
|
S

T
|
T

L

L

R

R

C

M

L

I

N

A

G

G

L

L

E

E

V

T

A

I

H

T

S

S

G

G

S

D

L

L

N

-

F

F

A

I

G

G

R

E

E

K

L

R

L

M

D

N

K

-

G

-

T

-

D

D

W

T

R

P

E

P

V

A

R

E

Q

R

Q

G

I

V

G

G

M

M

V

V

F

F

Q

Q

S

S

Y

Y

H

A

L

L

F

Y

P

P

H

H

M

L

S

S

V

V

L

A

D

E

N

N

L

M

L

S

L

F

G

G

-

L

P

K

L

L

K

A

V

G

Q

A

K

K

R

K

E

E

R

V

R

I

E

N

A

Q

R

R

A

V

-

N

Q

Q

A

V

E

A

A

E

L

V

L

L

E

Q

R

L

V

A

G

H

L

L

D

D

K

R

R

K

E

-

A

-

F

-

P

P

R

K

Q

A

L

L

S

S

G

G

Q

Q

Q

R

Q

Q

R

R

I

V

A

A

I

I

V

G

R

R

S

T

L

L

C

V

M

A

N

E

P

P

K

S

V

V

M

F

L

L

F

L

D

D

E

E

V

P

T

L

A

S

A

N

L

L

D

D

P

A

E

A

M

L

-

R

V

V

K

Q

E

M

V

R

L

I

E

E

V

I

I

S

Q

R

G

L

L

H

A

K

R

R

E

L

G

G

M

R

T

T

L

M

L

I

I

Y

V

V

T

T

H

H

E

D

M

Q

A

V

F

E

A

A

R

M

A

T

V

L

A

A

D

D

R

K

I

I

V

V

F

V

M

L

D

D

A

A

G

G

R

R

I

V

L

A

E

Q

Q

V

H

G

P

K

P

P

E

L

I

E

F

L

F

Y

T

H

N

Y

P

P

Q

-

T

-

A

-

R

-

A

A

Q

D

Q

R

F

F

L

V

E

A

K

G

F

F

binding adenosine-5'-diphosphate: W12 (≠ F14), V17 (= V19), S37 (= S39), G38 (= G40), C39 (= C41), G40 (= G42), K41 (= K43), S42 (= S44), T43 (= T45)

3puyA Crystal structure of an outward-facing mbp-maltose transporter complex bound to amp-pnp after crystal soaking of the pretranslocation state (see paper)
39% identity, 92% coverage: 3:242/260 of query aligns to 1:232/371 of 3puyA

query
sites
3puyA

A

A

L

S

I

V

E

Q

F

L

K

Q

G

N

F

V

N

T

K

K

F

A

F
x
W

G

G

E

E

Q

V

V
|
V

L

S

D

K

G

D

I

I

D

N

L

L

Q

D

V

I

K

H

P

E

G

G

E

E

V

F

I

V

V

V

I

F

L

V

G

G

P
|
P

S
|
S

G
|
G

C
|
C

G
|
G

K
|
K

S
|
S

T
|
T

L

L

R

R

C

M

L

I

N

A

G

G

L

L

E

E

V

T

A

I

H

T

S

S

G

G

S

D

L

L

N

-

F

F

A

I

G

G

R

E

E

K

L

R

L

M

D

N

K

-

G

-

T

-

D

D

W

T

R

P

E

P

V

A

R

E

Q

R

Q

G

I

V

G

G

M

M

V

V

F

F

Q
|
Q

S

S

Y

Y

H

A

L

L

F

Y

P

P

H

H

M

L

S

S

V

V

L

A

D

E

N

N

L

M

L

S

L

F

G

G

-

L

P

K

L

L

K

A

V

G

Q

A

K

K

R

K

E

E

R

V

R

I

E

N

A

Q

R

R

A

V

-

N

Q

Q

A

V

E

A

A

E

L

V

L

L

E

Q

R

L

V

A

G

H

L

L

D

D

K
x
R

R

K

E

-

A

-

F

-

P

P

R

K

Q
x
A

L

L

S
|
S

G
|
G

Q
|
Q

Q

R

Q

Q

R

R

I

V

A

A

I

I

V

G

R

R

S

T

L

L

C

V

M

A

N

E

P

P

K

S

V

V

M

F

L

L

F

L

D
|
D

E
|
E

V

P

T

L

A

S

A

N

L

L

D

D

P

A

E

A

M

L

-

R

V

V

K

Q

E

M

V

R

L

I

E

E

V

I

I

S

Q

R

G

L

L

H

A

K

R

R

E

L

G

G

M

R

T

T

L

M

L

I

I

Y

V

V

T

T

H
|
H

E

D

M

Q

A

V

F

E

A

A

R

M

A

T

V

L

A

A

D

D

R

K

I

I

V

V

F

V

M

L

D

D

A

A

G

G

R

R

I

V

L

A

E

Q

Q

V

H

G

P

K

P

P

E

L

I

E

F

L

F

Y

T

H

N

Y

P

P

Q

-

T

-

A

-

R

-

A

A

Q

D

Q

R

F

F

L

V

E

A

K

G

F

F

binding phosphoaminophosphonic acid-adenylate ester: W12 (≠ F14), V17 (= V19), P36 (= P38), S37 (= S39), G38 (= G40), C39 (= C41), G40 (= G42), K41 (= K43), S42 (= S44), T43 (= T45), Q81 (= Q87), R128 (≠ K132), A132 (≠ Q139), S134 (= S141), G135 (= G142), G136 (= G143), Q137 (= Q144), E158 (= E165), H191 (= H197)
binding magnesium ion: S42 (= S44), Q81 (= Q87), D157 (= D164)

3puxA Crystal structure of an outward-facing mbp-maltose transporter complex bound to adp-bef3 (see paper)
39% identity, 92% coverage: 3:242/260 of query aligns to 1:232/371 of 3puxA

query
sites
3puxA

A

A

L

S

I

V

E

Q

F

L

K

Q

G

N

F

V

N

T

K

K

F

A

F
x
W

G

G

E

E

Q

V

V
|
V

L

S

D

K

G

D

I

I

D

N

L

L

Q

D

V

I

K

H

P

E

G

G

E

E

V

F

I

V

V

V

I

F

L

V

G

G

P

P

S
|
S

G
|
G

C
|
C

G
|
G

K
|
K

S
|
S

T
|
T

L

L

R

R

C

M

L

I

N

A

G

G

L

L

E

E

V

T

A

I

H

T

S

S

G

G

S

D

L

L

N

-

F

F

A

I

G

G

R

E

E

K

L

R

L

M

D

N

K

-

G

-

T

-

D

D

W

T

R

P

E

P

V

A

R

E

Q

R

Q

G

I

V

G

G

M

M

V

V

F

F

Q
|
Q

S

S

Y

Y

H

A

L

L

F

Y

P

P

H

H

M

L

S

S

V

V

L

A

D

E

N

N

L

M

L

S

L

F

G

G

-

L

P

K

L

L

K

A

V

G

Q

A

K

K

R

K

E

E

R

V

R

I

E

N

A

Q

R

R

A

V

-

N

Q

Q

A

V

E

A

A

E

L

V

L

L

E

Q

R

L

V

A

G

H

L

L

D

D

K
x
R

R

K

E

-

A

-

F

-

P

P

R

K

Q
x
A

L
|
L

S
|
S

G
|
G

Q
|
Q

Q

R

Q

Q

R

R

I

V

A

A

I

I

V

G

R

R

S

T

L

L

C

V

M

A

N

E

P

P

K

S

V

V

M

F

L

L

F

L

D
|
D

E
|
E

V

P

T

L

A

S

A

N

L

L

D

D

P

A

E

A

M

L

-

R

V

V

K

Q

E

M

V

R

L

I

E

E

V

I

I

S

Q

R

G

L

L

H

A

K

R

R

E

L

G

G

M

R

T

T

L

M

L

I

I

Y

V

V

T

T

H
|
H

E

D

M

Q

A

V

F

E

A

A

R

M

A

T

V

L

A

A

D

D

R

K

I

I

V

V

F

V

M

L

D

D

A

A

G

G

R

R

I

V

L

A

E

Q

Q

V

H

G

P

K

P

P

E

L

I

E

F

L

F

Y

T

H

N

Y

P

P

Q

-

T

-

A

-

R

-

A

A

Q

D

Q

R

F

F

L

V

E

A

K

G

F

F

binding adenosine-5'-diphosphate: W12 (≠ F14), V17 (= V19), S37 (= S39),