SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_009127653.1 NCBI__GCF_000315485.1:WP_009127653.1 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)

P07821 Iron(3+)-hydroxamate import ATP-binding protein FhuC; Ferric hydroxamate uptake protein C; Ferrichrome transport ATP-binding protein FhuC; Iron(III)-hydroxamate import ATP-binding protein FhuC; EC 7.2.2.16 from Escherichia coli (strain K12) (see 2 papers)
31% identity, 71% coverage: 5:243/337 of query aligns to 11:245/265 of P07821

query
sites
P07821

T

T

I

F

H

A

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R

N

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C

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I

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Y

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P

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-

D

-

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-

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D

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L

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I

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H

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N

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M

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Y

K50 (= K48) mutation to Q: Lack of activity.
D172 (= D170) mutation to E: Lack of activity.
E173 (= E171) mutation to A: Lack of activity.

5xu1B Structure of a non-canonical abc transporter from streptococcus pneumoniae r6 (see paper)
30% identity, 65% coverage: 3:222/337 of query aligns to 1:219/226 of 5xu1B

query
sites
5xu1B

Q

K

E

Q

T

L

I

I

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S

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K

N

N

L

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Y

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G

K
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S
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S

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T

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V

binding magnesium ion: G45 (= G47), K46 (= K48), S47 (= S49)

1f3oA Crystal structure of mj0796 atp-binding cassette (see paper)
29% identity, 64% coverage: 6:220/337 of query aligns to 2:220/232 of 1f3oA

query
sites
1f3oA

I

I

H

K

I

L

K

K

N

N

L

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C

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G

T

Y
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Y

P

K

G

M

K

G

G

E

D

E

V

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K

I

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Y

V

A

A

L

S

K

D

N

I

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C

N

A

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G

N

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E

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G

E

E

L

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N

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G
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G

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G

K
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K

S
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S

T
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T

L

M

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A

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N

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D

D

binding adenosine-5'-diphosphate: Y11 (= Y15), G41 (= G45), G43 (= G47), K44 (= K48), S45 (= S49), T46 (= T50)

P69874 Spermidine/putrescine import ATP-binding protein PotA; EC 7.6.2.11 from Escherichia coli (strain K12) (see 3 papers)
29% identity, 64% coverage: 20:233/337 of query aligns to 28:235/378 of P69874

query
sites
P69874

D

D

V

G

K

K

V

E

V

V

A

I

S

P

D

Q

I

L

C

D

A

L

G

T

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I

N

N

S

N

G

G

E

E

L
x
F

T

L

C

T

L

L

G

G

A

P

N

S

G

G

V
x
C

G

G

K

K

S

T

T

T

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L
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L

R

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A

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D

E

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A

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L

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D

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Y

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K

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M

M

M

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N

L

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L

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M

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L

I

F45 (≠ L37) mutation to L: Lower ATPase activity and transport efficiency.
C54 (≠ V46) mutation to T: Loss of ATPase activity and transport.
L60 (= L52) mutation to F: Lower ATPase activity and transport efficiency.
L76 (≠ I68) mutation to P: Lower ATPase activity and transport efficiency.
V135 (= V133) mutation to M: Loss of ATPase activity and transport.
D172 (= D170) mutation to N: Loss of ATPase activity and transport.

Sites not aligning to the query:

26 C→A: Lower ATPase activity and transport efficiency.
27 F→L: Lower ATPase activity and transport efficiency.
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.

1l2tA Dimeric structure of mj0796, a bacterial abc transporter cassette (see paper)
29% identity, 64% coverage: 6:220/337 of query aligns to 2:220/230 of 1l2tA

query
sites
1l2tA

I

I

H

K

I

L

K

K

N

N

L

V

C

T

I

K

G

T

Y
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Y

P

K

G

M

K

G

G

E

D

E

V

I

K

I

V

Y

V

A

A

L

S

K

D

N

I

V

C

N

A

L

G

N

I

I

N

K

S

E

G

G

E

E

L

F

T

V

C

S

L

I

L

M

G

G

A

P

N
x
S

G
|
G

V
x
S

G
|
G

K
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K

S
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S

T
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T

L

M

L

L

R

N

T

I

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A

C

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L

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D

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D

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I

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N

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L

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A

A

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E

E

L

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G

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Y

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x
F

V

A

H

N

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K

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T
x
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L

L

S
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S

D

G

G
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G

E
x
Q

R

Q

Q

Q

K

R

V

V

M

A

I

I

A

A

K

R

A

A

L

L

A

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N

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P

P

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M

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D

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H
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D

D

L

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N

L

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A

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F

I

G

A

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D

R

K

I

I

I

W

Y

L

L

M

K

D

D

binding adenosine-5'-triphosphate: Y11 (= Y15), S40 (≠ N44), G41 (= G45), S42 (≠ V46), G43 (= G47), K44 (= K48), S45 (= S49), T46 (= T50), F138 (≠ M142), Q145 (≠ T145), S147 (= S147), G149 (= G149), Q150 (≠ E150), H204 (= H204)

8wm7D Cryo-em structure of cyanobacterial nitrate/nitrite transporter nrtbcd in complex with signalling protein pii (see paper)
28% identity, 66% coverage: 15:236/337 of query aligns to 14:228/257 of 8wm7D

query
sites
8wm7D

Y
|
Y

P

P

G

T

K

P

G

E

D

G

V

P

K
x
Y

V

T

V
|
V

A

L

S

D

D

G

I

I

C

D

A

L

G

K

I

V

N

R

S

E

G

G

E

E

L

F

T

V

C

C

L

L

L

I

G

G

A

H

N
x
S

G
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G

V
x
C

G
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G

K
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K

S
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S

T
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T

L

L

R

N

T

M

L

I

S

S

A

G

F

F

Q

N

P

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P

L

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S

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K

K

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I

I

S

T

S

E

Y

P

T

G

D

P

K

D

Q

R

L

M

S

-

K

-

V

-

I

-

S

-

V

M

V

V

L

F

T

Q

E

N

K

Y

C

C

D

L

I

L

R

P

N

W

M

L

S

N

A

V

V

F

E

E

L

N

I

V

G

Y

L

L

G

A

R

V

S

D

P

-

Y

-

T

A

G

V

F

F

W

P

G

N

T

K

L

P

S

Q

K

A

E

E

D

K

K

R

A

A

V

I

V

V

D

R

H

E

A

H

I

L

E

A

L

M

V

V

G

G

I

L

S

T

H

E

L

A

A

A

H

E

R

K

M

K

V

P

H

S

T

Q

L

I

S

S

D

G

G

G

E

M

R

K

Q

Q

K

R

V

V

M

A

I

I

A

A

K

R

A

A

L

L

A

S

Q

I

E

R

T

P

P

Q

V

V

I

L

Y

I

L

L

D

D

E

E

P

P

T

F

A

G

F

A

L

L

D

D

F

A

P

I

S

T

K

K

V

E

E

E

M

L

M

Q

Q

E

L

E

L

L

H

L

L

Q

L

I

S

W

R

S

Q

D

T

H

D

Q

K

V

T

T

I

V

F

L

L

M

S

I

T

T

H

H

D

D

L

I

E

D

L

E

A

A

L

L

Q

F

I

L

A

A

D

D

K

R

I

V

W

V

L

M

M

M

D

T

K

N

V

G

N

P

G

A

V

A

T

Q

I

I

G

G

T

E

P

I

E

L

D

D

L

I

S

P

L

F

D

D

binding adenosine-5'-diphosphate: Y14 (= Y15), Y21 (≠ K22), V23 (= V24), S43 (≠ N44), G44 (= G45), C45 (≠ V46), G46 (= G47), K47 (= K48), S48 (= S49), T49 (= T50)

P19566 Maltose/maltodextrin import ATP-binding protein MalK; EC 7.5.2.1 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) (see paper)
28% identity, 68% coverage: 5:233/337 of query aligns to 3:221/369 of P19566

query
sites
P19566

T

S

I

V

H

Q

I

L

K

R

N

N

L

V

C

T

I

K

G

A

Y

W

P

-

G

-

K

-

G

G

D

D

V

V

K

-

V

V

A

S

S

K

D

D

I

I

C

N

A

L

G

D

I

I

N

H

S

D

G

G

E

E

L

F

T

V

C

V

L

F

L

V

G

G

A

P

N

S

G

G

V

C

G

G

K

K

S

S

T

T

L

L

R

R

T

M

L

I

S

A

A

G

F

L

Q

E

P

T

R

I

L

T

S

S

G

G

E

D

I

L

R

F

I

I

E

G

G

E

K

T

D

R

I

M

S

N

S

D

Y

I

T

P

D

P

K

A

Q

E

L

-

S

-

K

R

V

G

I

V

S

G

V

M

V

V

L

F

T

Q

E

S

K

Y

C

A

D
x
L

I

Y

R

P

N

H

M

L

S

S

A

V

V

A

E

E

L

N

I

M

G

S

L

F

G

G

R

L

S

K

P

-

Y

-

T

-

G

-

F

L

W

A

G

G

T

A

L

K

S

K

K

E

E

V

D

M

K

N

A

Q

V

R

V

V

D

N

H

Q

A

V

I

A

E

E

L

V

V

L

G

Q

I

L

S

A

H

H

L

L

A

L

H

E

R

R

M

K

V

P

H

K

T

A

L

L

S

S

D

G

G

G

E

Q

R

R

Q

Q

K

R

V

V

M

A

I

I

A

G

K

R

A

T

L

L

A

V

Q

A

E

E

T

P

P

R

V

V

I

F

Y

L

L

L

D

D

E

E

P
|
P

T

L

A

S

F

N

L

L

D
|
D

F

A

P

A

S

L

K

R

V

V

E

Q

M

M

M

R

Q

I

L

E

L

I

H

S

L

R

L

L

S

H

R

K

Q

R

T

L

D

G

K

R

T

T

I

M

F

I

L

Y

S

V

T

T

H

H

D

D

L

Q

E

V

L

E

A

A

L

M

Q

T

I

L

A

A

D

D

K

K

I

I

W

V

L

V

M

L

D

D

K

A

V

G

N

R

G

V

V

A

T

Q

I

V

G

G

T

K

P

P

E

L

D

E

L

L

L86 (≠ D94) mutation to F: Loss of transport. No effect on ATP-binding activity but decrease in ATP hydrolysis. Retains repressor activity.
P160 (= P172) mutation to L: Loss of transport. No effect on ATP-binding activity but decrease in ATP hydrolysis. Retains repressor activity.
D165 (= D177) mutation to N: Loss of transport. No effect on ATP-binding activity but decrease in ATP hydrolysis. Retains repressor activity.

Sites not aligning to the query:

306 E→K: Loss of transport. No effect on ATP-binding and ATP hydrolysis. Retains repressor activity.

3d31A Modbc from methanosarcina acetivorans (see paper)
29% identity, 69% coverage: 27:259/337 of query aligns to 18:248/348 of 3d31A

query
sites
3d31A

D

N

I

L

C

S

A

L

G

K

I

V

N

E

S

S

G

G

E

E

L

Y

T

F

C

V

L

I

L

L

G

G

A

P

N

T

G

G

V

A

G

G

K

K

S

T

T

L

L

F

L

L

R

E

T

L

L

I

S

A

A

G

F

F

Q

H

P

V

R

P

L

D

S

S

G

G

E

R

I

I

R

L

I

L

E

D

G

G

K

K

D

D

I

V

S

T

S

D

Y

L

T

S

D

-

K

-

Q

-

L

-

S

-

K

-

V

-

I

-

S

-

V

-

L

-

T

P

E

E

K

K

C

H

D

D

I

I

-

A

-

F

-

V

-

Y

R

Q

N

N

M

Y

S

S

A

L

V

F

E

P

L

H

I

M

G

N

L

V

G

K

R

K

S

N

P

L

Y

E

T

F

G

G

F

M

W

R

G

M

T

K

L

K

S

I

K

K

E

D

D

P

K

K

A

R

V

V

V

L

D

D

H

T

A

A

I

R

E

D

L

L

V

-

G

K

I

I

S

E

H

H

L

L

A

L

H

D

R

R

M

N

V

P

H

L

T

T

L

L

S

S

D

G

G

G

E

E

R

Q

Q

Q

K

R

V

V

M

A

I

L

A

A

K

R

A

A

L

L

A

V

Q

T

E

N

T

P

P

K

V

I

I

L

Y

L

L

L

D

D

E

E

P

P

T

L

A

S

F

A

L

L

D

D

F

P

P

R

S

T

K

Q

V

E

E

N

M

A

M

R

Q

E

L

M

L

L

H

S

L

V

L

L

S

H

R

K

Q

K

T

N

D

K

K

L

T

T

I

V

F

L

L

H

S

I

T

T

H

H

D

D

L

Q

E

T

L

E

A

A

L

R

Q

I

I

M

A

A

D

D

K

R

I

I

W

A

L

V

M

V

D

M

K

D

V

G

N

K

G

L

V

I

T

Q

I

V

G

G

T

K

P

P

E

E

D

E

L

I

-

F

-

E

-

K

S

P

L

V

D

E

G

G

S

R

L

V

S

A

C

S

F

F

F

V

A

G

-

F

-

E

-

N

-

V

R

L

K

K

G

G

I

R

A

V

F

I

D

S

L

A

E

E

T

Q

G

G

L

L

F

L

R

R

V

I

Sites not aligning to the query:

binding tungstate(vi)ion: 286, 320, 323, 340, 341, 342

4yerA Crystal structure of an abc transporter atp-binding protein (tm_1403) from thermotoga maritima msb8 at 2.35 a resolution
26% identity, 69% coverage: 3:234/337 of query aligns to 2:224/285 of 4yerA

query
sites
4yerA

Q

E

E

D

T

I

I

I

H

V

I

V

K

E

N

N

L

L

C

V

I

K

G

K

Y
x
F

P

-

G

-

K

-

G

G

D

D

V
x
F

K

E

V

A

V

V

A

K

S

G

D

-

I

V

C

S

A

F

G

S

I

V

N

K

S

K

G

G

E

E

L

I

T

F

C

A

L

F

L

L

G

G

A

P

N
|
N

G
|
G

V

A

G
|
G

K
|
K

S
x
T

T
|
T

L

T

L

I

R

H

T

M

L

L

S

T

A

T

F

L

Q

L

P

K

R

P

L

T

S

S

G

G

E

K

I

A

R

W

I

V

E

A

G

G

K

H

D

D

I

V

S

L

S

K

Y

-

T

E

D

P

K

R

Q

E

L

V

S

R

K

R

V

K

I

I

S

G

V

I

V

V

L

F

T

Q

E

D

K

Q

C

S

D

L

I

D

R

R

N

E

M

L

S

T

A

A

V

Y

E

E

L

N

I

M

G

Y

L

I

G

-

R

-

S

-

P

-

Y

H

T

G

G

K

F

I

W

Y

G

G

T

Y

L

G

S

G

K

E

E

K

D

L

K

K

A

K

V

R

V

I

D

L

H

E

A

L

I

L

E

E

L

F

V

V

G

E

I

L

S

L

H

E

L

F

A

K

H

D

R

K

M

P

V

V

H

K

T
|
T

L
x
F

S
|
S

D

G

G

G

E

M

R

A

Q

R

K

R

V

L

M

E

I

I

A

A

K

R

A

S

L

L

A

I

Q

H

E

E

T

P

P

E

V

V

I

L

Y

F

L

L

D

D

E

E

P

P

T

T

A

I

F

G

L

L

D

D

F

P

P

H

S

T

K

R

V

A

E

H

M

M

M

W

Q

E

L

Y

L

I

H

S

L

K

L

M

S

K

R

K

Q

E

T

H

D

N

K

M

T

T

I

I

F

F

L

L

S

T

T

T

H

H

D

Y

L

M

E

D

L

E

A

A

L

E

Q

Q

I

L

A

A

D

D

K

R

I

V

W

A

L

I

M

I

D

D

K

H

V

G

N

K

G

I

V

I

T

A

I

L

G

G

T

T

P

P

E

T

D

E

L

L

S

K

binding adenosine-5'-diphosphate: F14 (≠ Y15), F17 (≠ V21), N39 (= N44), G40 (= G45), G42 (= G47), K43 (= K48), T44 (≠ S49), T45 (= T50), T135 (= T145), F136 (≠ L146), S137 (= S147)

P68187 Maltose/maltodextrin import ATP-binding protein MalK; EC 7.5.2.1 from Escherichia coli (strain K12) (see 5 papers)
28% identity, 68% coverage: 5:233/337 of query aligns to 3:221/371 of P68187

query
sites
P68187

T

S

I

V

H

Q

I

L

K

Q

N

N

L

V

C

T

I

K

G

A

Y

W

P

-

G

-

K

-

G

G

D

E

V

V

K

-

V

V

A

S

S

K

D

D

I

I

C

N

A

L

G

D

I

I

N

H

S

E

G

G

E

E

L

F

T

V

C

V

L

F

L

V

G

G

A

P

N

S

G

G

V

C

G

G

K

K

S

S

T

T

L

L

R

R

T

M

L

I

S

A

A

G

F

L

Q

E

P

T

R

I

L

T

S

S

G

G

E

D

I

L

R

F

I

I

E

G

G

E

K

K

D

R

I

M

S

N

S

D

Y

T

T

P

D

P

K

A

Q

E

L

-

S

-

K

R

V

G

I

V

S

G

V

M

V

V

L

F

T

Q

E

S

K

Y

C
x
A

D

L

I

Y

R

P

N

H

M

L

S

S

A

V

V

A

E

E

L

N

I

M

G

S

L

F

G

G

R

-

S

-

P

-

Y

-

T

L

G

K

F

L

W

A

G

G

T

A

L
x
K

S

K

K

E

E

V

D

I

K

N

A

Q

V

R

V
|
V

D

N

H

Q

A
x
V

I

A

E
|
E

L

V

V

L

G

Q

I

L

S
x
A

H

H

L

L

A

L

H

D

R

R

M

K

V

P

H

K

T

A

L

L

S

S

D

G

G
|
G

E

Q

R

R

Q

Q

K

R

V

V

M

A

I

I

A

G

K

R

A

T

L

L

A

V

Q

A

E

E

T

P

P

S

V

V

I

F

Y

L

L

L

D
|
D

E

E

P

P

T

L

A

S

F

N

L

L

D

D

F

A

P

A

S

L

K

R

V

V

E

Q

M

M

M

R

Q

I

L

E

L

I

H

S

L

R

L

L

S

H

R

K

Q

R

T

L

D

G

K

R

T

T

I

M

F

I

L

Y

S

V

T

T

H

H

D

D

L

Q

E

V

L

E

A

A

L

M

Q

T

I

L

A

A

D

D

K

K

I

I

W

V

L

V

M

L

D

D

K

A

V

G

N

R

G

V

V

A

T

Q

I

V

G

G

T

K

P

P

E

L

D

E

L

L

A85 (≠ C93) mutation to M: Suppressor of EAA loop mutations in MalFG.
K106 (≠ L118) mutation to C: Suppressor of EAA loop mutations in MalFG.
V114 (= V126) mutation to C: Suppressor of EAA loop mutations in MalFG.
V117 (≠ A129) mutation to M: Suppressor of EAA loop mutations in MalFG.
E119 (= E131) mutation to K: Resistant to inhibitory effects of alpha-methylglucoside but retains transport capacity.
A124 (≠ S136) mutation to T: Resistant to inhibitory effects of alpha-methylglucoside but retains transport capacity.
G137 (= G149) mutation to A: Loss of maltose transport. Has greater ability to decrease mal gene expression than wild-type MalK.
D158 (= D170) mutation to N: Loss of maltose transport but retains ability to repress mal genes.

Sites not aligning to the query:

228 R→C: Resistant to inhibitory effects of alpha-methylglucoside but retains transport capacity.
241 F→I: Resistant to inhibitory effects of alpha-methylglucoside but retains transport capacity.
267 W→G: Normal maltose transport but constitutive mal gene expression.
278 G→P: Resistant to inhibitory effects of alpha-methylglucoside but retains transport capacity.
282 S→L: Resistant to inhibitory effects of alpha-methylglucoside but retains transport capacity.
284 G→S: Resistant to inhibitory effects of alpha-methylglucoside but retains transport capacity.
302 G→D: Resistant to inhibitory effects of alpha-methylglucoside but retains transport capacity.
308 E→Q: Maltose transport is affected but retains ability to interact with MalT.
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)
28% identity, 68% coverage: 5:233/337 of query aligns to 2:220/371 of 3puyA

query
sites
3puyA

T

S

I

V

H

Q

I

L

K

Q

N

N

L

V

C

T

I

K

G

A

Y
x
W

P

-

G

-

K

-

G

G

D

E

V

V

K

-

V

V

A

S

S

K

D

D

I

I

C

N

A

L

G

D

I

I

N

H

S

E

G

G

E

E

L

F

T

V

C

V

L

F

L

V

G

G

A

P

N
x
S

G
|
G

V
x
C

G
|
G

K
|
K

S
|
S

T
|
T

L

L

R

R

T

M

L

I

S

A

A

G

F

L

Q

E

P

T

R

I

L

T

S

S

G

G

E

D

I

L

R

F

I

I

E

G

G

E

K

K

D

R

I

M

S

N

S

D

Y

T

T

P

D

P

K

A

Q

E

L

-

S

-

K

R

V

G

I

V

S

G

V

M

V

V

L

F

T
x
Q

E

S

K

Y

C

A

D

L

I

Y

R

P

N

H

M

L

S

S

A

V

V

A

E

E

L

N

I

M

G

S

L

F

G

G

R

-

S

-

P

-

Y

-

T

L

G

K

F

L

W

A

G

G

T

A

L

K

S

K

K

E

E

V

D

I

K

N

A

Q

V

R

V

V

D

N

H

Q

A

V

I

A

E

E

L

V

V

L

G

Q

I

L

S

A

H

H

L

L

A

L

H

D

R
|
R

M

K

V

P

H

K

T
x
A

L

L

S
|
S

D

G

G
|
G

E
x
Q

R

R

Q

Q

K

R

V

V

M

A

I

I

A

G

K

R

A

T

L

L

A

V

Q

A

E

E

T

P

P

S

V

V

I

F

Y

L

L

L

D

D

E
|
E

P

P

T

L

A

S

F

N

L

L

D

D

F

A

P

A

S

L

K

R

V

V

E

Q

M

M

M

R

Q

I

L

E

L

I

H

S

L

R

L

L

S

H

R

K

Q

R

T

L

D

G

K

R

T

T

I

M

F

I

L

Y

S

V

T

T

H
|
H

D

D

L

Q

E

V

L

E

A

A

L

M

Q

T

I

L

A

A

D

D

K

K

I

I

W

V

L

V

M

L

D

D

K

A

V

G

N

R

G

V

V

A

T

Q

I

V

G

G

T

K

P

P

E

L

D

E

L

L

binding phosphoaminophosphonic acid-adenylate ester: W12 (≠ Y15), S37 (≠ N44), G38 (= G45), C39 (≠ V46), G40 (= G47), K41 (= K48), S42 (= S49), T43 (= T50), Q81 (≠ T90), R128 (= R141), A132 (≠ T145), S134 (= S147), G136 (= G149), Q137 (≠ E150), E158 (= E171), H191 (= H204)
binding magnesium ion: S42 (= S49), Q81 (≠ T90)

3puxA Crystal structure of an outward-facing mbp-maltose transporter complex bound to adp-bef3 (see paper)
28% identity, 68% coverage: 5:233/337 of query aligns to 2:220/371 of 3puxA

query
sites
3puxA

T

S

I

V

H

Q

I

L

K

Q

N

N

L

V

C

T

I

K

G

A

Y
x
W

P

-

G

-

K

-

G

G

D

E

V

V

K

-

V

V

A

S

S

K

D

D

I

I

C

N

A

L

G

D

I

I

N

H

S

E

G

G

E

E

L

F

T

V

C

V

L

F

L

V

G

G

A

P

N
x
S

G
|
G

V
x
C

G
|
G

K
|
K

S
|
S

T
|
T

L

L

R

R

T

M

L

I

S

A

A

G

F

L

Q

E

P

T

R

I

L

T

S

S

G

G

E

D

I

L

R

F

I

I

E

G

G

E

K

K

D

R

I

M

S

N

S

D

Y

T

T

P

D

P

K

A

Q

E

L

-

S

-

K

R

V

G

I

V

S

G

V

M

V

V

L

F

T
x
Q

E

S

K

Y

C

A

D

L

I

Y

R

P

N

H

M

L

S

S

A

V

V

A

E

E

L

N

I

M

G

S

L

F

G

G

R

-

S

-

P

-

Y

-

T

L

G

K

F

L

W

A

G

G

T

A

L

K

S

K

K

E

E

V

D

I

K

N

A

Q

V

R

V

V

D

N

H

Q

A

V

I

A

E

E

L

V

V

L

G

Q

I

L

S

A

H

H

L

L

A

L

H

D

R
|
R

M

K

V

P

H

K

T

A

L

L

S
|
S

D

G

G
|
G

E
x
Q

R

R

Q

Q

K

R

V

V

M

A

I

I

A

G

K

R

A

T

L

L

A

V

Q

A

E

E

T

P

P

S

V

V

I

F

Y

L

L

L

D

D

E

E

P

P

T

L

A

S

F

N

L

L

D

D

F

A

P

A

S

L

K

R

V

V

E

Q

M

M

M

R

Q

I

L

E

L

I

H

S

L

R

L

L

S

H

R

K

Q

R

T

L

D

G

K

R

T

T

I

M

F

I

L

Y

S

V

T

T

H
|
H

D

D

L

Q

E

V

L

E

A

A

L

M

Q

T

I

L

A

A

D

D

K

K

I

I

W

V

L

V

M

L

D

D

K

A

V

G

N

R

G

V

V

A

T

Q

I

V

G

G

T

K

P

P

E

L

D

E

L

L

binding adenosine-5'-diphosphate: W12 (≠ Y15), G38 (= G45), C39 (≠ V46), G40 (= G47), K41 (= K48), S42 (= S49), T43 (= T50), R128 (= R141), S134 (= S147), Q137 (≠ E150)
binding beryllium trifluoride ion: S37 (≠ N44), G38 (= G45), K41 (= K48), Q81 (≠ T90), S134 (= S147), G136 (= G149), H191 (= H204)
binding magnesium ion: S42 (= S49), Q81 (≠ T90)

3puwA Crystal structure of an outward-facing mbp-maltose transporter complex bound to adp-alf4 (see paper)
28% identity, 68% coverage: 5:233/337 of query aligns to 2:220/371 of 3puwA

query
sites
3puwA

T

S

I

V

H

Q

I

L

K

Q

N

N

L

V

C

T

I

K

G

A

Y
x
W

P

-

G

-

K

-

G

G

D

E

V

V

K

-

V

V

V
|
V

A

S

S

K

D

D

I

I

C

N

A

L

G

D

I

I

N

H

S

E

G

G

E

E

L

F

T

V

C

V

L

F

L

V

G

G

A

P

N
x
S

G
|
G

V
x
C

G
|
G

K
|
K

S
|
S

T
|
T

L

L

R

R

T

M

L

I

S

A

A

G

F

L

Q

E

P

T

R

I

L

T

S

S

G

G

E

D

I

L

R

F

I

I

E

G

G

E

K

K

D

R

I

M

S

N

S

D

Y

T

T

P

D

P

K

A

Q

E

L

-

S

-

K

R

V

G

I

V

S

G

V

M

V

V

L

F

T
x
Q

E

S

K

Y

C

A

D

L

I

Y

R

P

N

H

M

L

S

S

A

V

V

A

E

E

L

N

I

M

G

S

L

F

G

G

R

-

S

-

P

-

Y

-

T

L

G

K

F

L

W

A

G

G

T

A

L

K

S

K

K

E

E

V

D

I

K

N

A

Q

V

R

V

V

D

N

H

Q

A

V

I

A

E

E

L

V

V

L

G

Q

I

L

S

A

H

H

L

L

A

L

H

D

R
|
R

M

K

V

P

H

K

T
x
A

L

L

S
|
S

D
x
G

G
|
G

E
x
Q

R

R

Q

Q

K

R

V

V

M

A

I

I

A

G

K

R

A

T

L

L

A

V

Q

A

E

E

T

P

P

S

V

V

I

F

Y

L

L

L

D

D

E
|
E

P

P

T

L

A

S

F

N

L

L

D

D

F

A

P

A

S

L

K

R

V

V

E

Q

M

M

M

R

Q

I

L

E

L

I

H

S

L

R

L

L

S

H

R

K

Q

R

T

L

D

G

K

R

T

T

I

M

F

I

L

Y

S

V

T

T

H
|
H

D

D

L

Q

E

V

L

E

A

A

L

M

Q

T

I

L

A

A

D

D

K

K

I

I

W

V

L

V

M

L

D

D

K

A

V

G

N

R

G

V

V

A

T

Q

I

V

G

G

T

K

P

P

E

L

D

E

L

L

binding adenosine-5'-diphosphate: W12 (≠ Y15), V17 (= V24), G38 (= G45), C39 (≠ V46), G40 (= G47), K41 (= K48), S42 (= S49), T43 (= T50), R128 (= R141), A132 (≠ T145), S134 (= S147), Q137 (≠ E150)
binding tetrafluoroaluminate ion: S37 (≠ N44), G38 (= G45), K41 (= K48), Q81 (≠ T90), S134 (= S147), G135 (≠ D148), G136 (= G149), E158 (= E171), H191 (= H204)
binding magnesium ion: S42 (= S49), Q81 (≠ T90)

3puvA Crystal structure of an outward-facing mbp-maltose transporter complex bound to adp-vo4 (see paper)
28% identity, 68% coverage: 5:233/337 of query aligns to 2:220/371 of 3puvA

query
sites
3puvA

T

S

I

V

H

Q

I

L

K

Q

N

N

L

V

C

T

I

K

G

A

Y
x
W

P

-

G

-

K

-

G

G

D

E

V

V

K

-

V

V

V
|
V

A

S

S

K

D

D

I

I

C

N

A

L

G

D

I

I

N

H

S

E

G

G

E

E

L

F

T

V

C

V

L

F

L

V

G

G

A

P

N

S

G
|
G

V
x
C

G
|
G

K
|
K

S
|
S

T
|
T

L

L

R

R

T

M

L

I

S

A

A

G

F

L

Q

E

P

T

R

I

L

T

S

S

G

G

E

D

I

L

R

F

I

I

E

G

G

E

K

K

D

R

I

M

S

N

S

D

Y

T

T

P

D

P

K

A

Q

E

L

-

S

-

K

R

V

G

I

V

S

G

V

M

V

V

L

F

T
x
Q

E

S

K

Y

C

A

D

L

I

Y

R

P

N

H

M

L

S

S

A

V

V

A

E

E

L

N

I

M

G

S

L

F

G

G

R

-

S

-

P

-

Y

-

T

L

G

K

F

L

W

A

G

G

T

A

L

K

S

K

K

E

E

V

D

I

K

N

A

Q

V

R

V

V

D

N

H

Q

A

V

I

A

E

E

L

V

V

L

G

Q

I

L

S

A

H

H

L

L

A

L

H

D

R
|
R

M

K

V

P

H

K

T
x
A

L

L

S
|
S

D

G

G

G

E
x
Q

R

R

Q

Q

K

R

V

V

M

A

I

I

A

G

K

R

A

T

L

L

A

V

Q

A

E

E

T

P

P

S

V

V

I

F

Y

L

L

L

D

D

E

E

P

P

T

L

A

S

F

N

L

L

D

D

F

A

P

A

S

L

K

R

V

V

E

Q

M

M

M

R

Q

I

L

E

L

I

H

S

L

R

L

L

S

H

R

K

Q

R

T

L

D

G

K

R

T

T

I

M

F

I

L

Y

S

V

T

T

H

H

D

D

L

Q

E

V

L

E

A

A

L

M

Q

T

I

L

A

A

D

D

K

K

I

I

W

V

L

V

M

L

D

D

K

A

V

G

N

R

G

V

V

A

T

Q

I

V

G

G

T

K

P

P

E

L

D

E

L

L

binding adenosine-5'-diphosphate: W12 (≠ Y15), V17 (= V24), G38 (= G45), C39 (≠ V46), G40 (= G47), K41 (= K48), S42 (= S49), T43 (= T50), R128 (= R141), A132 (≠ T145), S134 (= S147), Q137 (≠ E150)
binding magnesium ion: S42 (= S49), Q81 (≠ T90)

2awnB Crystal structure of the adp-mg-bound e. Coli malk (crystallized with atp-mg) (see paper)
28% identity, 68% coverage: 5:233/337 of query aligns to 2:220/374 of 2awnB

query
sites
2awnB

T

S

I

V

H

Q

I

L

K

Q

N

N

L

V

C

T

I

K

G

A

Y
x
W

P

-

G

-

K

-

G

G

D

E

V

V

K

-

V

V

V
|
V

A

S

S

K

D

D

I

I

C

N

A

L

G

D

I

I

N

H

S

E

G

G

E

E

L

F

T

V

C

V

L

F

L

V

G

G

A

P

N
x
S

G
|
G

V

C

G
|
G

K
|
K

S
|
S

T
|
T

L

L

R

R

T

M

L

I

S

A

A

G

F

L

Q

E

P

T

R

I

L

T

S

S

G

G

E

D

I

L

R

F

I

I

E

G

G

E

K

K

D

R

I

M

S

N

S

D

Y

T

T

P

D

P

K

A

Q

E

L

-

S

-

K

R

V

G

I

V

S

G

V

M

V

V

L

F

T

Q

E

S

K

Y

C

A

D

L

I

Y

R

P

N

H

M

L

S

S

A

V

V

A

E

E

L

N

I

M

G

S

L

F

G

G

R

-

S

-

P

-

Y

-

T

L

G

K

F

L

W

A

G

G

T

A

L

K

S

K

K

E

E

V

D

I

K

N

A

Q

V

R

V

V

D

N

H

Q

A

V

I

A

E

E

L

V

V

L

G

Q

I

L

S

A

H

H

L

L

A

L

H

D

R

R

M

K

V

P

H

K

T

A

L

L

S

S

D

G

G

G

E

Q

R

R

Q

Q

K

R

V

V

M

A

I

I

A

G

K

R

A

T

L

L

A

V

Q

A

E

E

T

P

P

S

V

V

I

F

Y

L

L

L

D

D

E

E

P

P

T

L

A

S

F

N

L

L

D

D

F

A

P

A

S

L

K

R

V

V

E

Q

M

M

M

R

Q

I

L

E

L

I

H

S

L

R

L

L

S

H

R

K

Q

R

T

L

D

G

K

R

T

T

I

M

F

I

L

Y

S

V

T

T

H

H

D

D

L

Q

E

V

L

E

A

A

L

M

Q

T

I

L

A

A

D

D

K

K

I

I

W

V

L

V

M

L

D

D

K

A

V

G

N

R

G

V

V

A

T

Q

I

V

G

G

T

K

P

P

E

L

D

E

L

L

binding adenosine-5'-diphosphate: W12 (≠ Y15), V17 (= V24), S37 (≠ N44), G38 (= G45), G40 (= G47), K41 (= K48), S42 (= S49), T43 (= T50)

5x40A Structure of a cbio dimer bound with amppcp (see paper)
33% identity, 62% coverage: 12:219/337 of query aligns to 9:213/280 of 5x40A

query
sites
5x40A

C

A

I

L

G

T

Y

Y

P

A

G
x
F

K

P

G

G

D

G

V
|
V

K

K

V
x
A

V

L

A

-

S

D

D

D

I

L

C

S

A

L

G

A

I

V

N

P

S

K

G

G

E

E

L

S

T

L

C

A

L

I

L

L

G

G

A

P

N
|
N

G
|
G

V

A

G
|
G

K
|
K

S
|
S

T
|
T

L

L

R

L

T

H

L

L

S

N

A

G

F

T

Q

L

P

R

R

P

L

Q

S

S

G

G

E

R

I

V

R

L

I

L

E

-

G

G

K

G

D

T

I

A

S

T

S

G

Y

H

T

S

D

R

K

K

Q

D

L

L

S

T

-

G

-

W

-

R

K

R

V

R

I

V

S

G

V

L

V

V

L

L

T
x
Q

E

D

K

A

C

D

D

D

-

Q

I

L

R

F

N

A

M

T

S

T

A

V

V

F

E

E

L

D

I

V

G

S

L

F

G

G

R

-

S

-

P

P

Y

L

T

N

G

-

F

-

W

L

G

G

T

L

L

S

S

E

K

A

E

E

D

A

K

R

A

A

V

R

V

V

D

E

H

E

A

A

I

L

E

A

L

A

V

L

G

S

I

I

S

S

H

D

L

L

A

R

H

D

R

R

M

P

V

T

H
|
H

T
x
M

L
|
L

S
|
S

D

G

G
|
G

E
x
Q

R

K

Q

R

K

R

V

V

M

A

I

I

A

A

K

G

A

A

L

V

A

A

Q

M

E

R

T

P

P

E

V

V

I

L

Y

L

L

L

D

D

E
x
Q

P

P

T

T

A

A

F

G

L

L

D

D

F

L

P

A

S

G

K

T

V

E

E

Q

M

L

Q

T

L

L

H

R

L

G

L

L

S

-

R

R

Q

A

T

A

D

G

K

M

T

T

I

L

F

V

L

F

S

S

T

T

H
|
H

D

D

L

V

E

E

L

L

A

A

L

A

Q

A

I

L

A

A

D

D

K

R

I

V

W

A

L

L

M

F

binding phosphomethylphosphonic acid adenylate ester: F14 (≠ G17), V18 (= V21), A20 (≠ V23), N40 (= N44), G41 (= G45), G43 (= G47), K44 (= K48), S45 (= S49), T46 (= T50), Q88 (≠ T90), H139 (= H144), M140 (≠ T145), L141 (= L146), S142 (= S147), G144 (= G149), Q145 (≠ E150), Q166 (≠ E171), H198 (= H204)
binding magnesium ion: S45 (= S49), Q88 (≠ T90)

1q12A Crystal structure of the atp-bound e. Coli malk (see paper)
29% identity, 63% coverage: 23:233/337 of query aligns to 14:218/367 of 1q12A

query
sites
1q12A

V

V

A

S

S

K

D

D

I

I

C

N

A

L

G

D

I

I

N

H

S

E

G

G

E

E

L

F

T

V

C

V

L

F

L

V

G

G

A

P

N
x
S

G
|
G

V
x
C

G
|
G

K
|
K

S
|
S

T
|
T

L

L

R

R

T

M

L

I

S

A

A

G

F

L

Q

E

P

T

R

I

L

T

S

S

G

G

E

D

I

L

R

F

I

I

E

G

G

E

K

K

D

R

I

M

S

N

S

D

Y

T

T

P

D

P

K

A

Q

E

L

-

S

-

K

R

V

G

I

V

S

G

V

M

V

V

L

F

T

Q

E

S

K

Y

C

A

D

L

I

Y

R

P

N

H

M

L

S

S

A

V

V

A

E

E

L

N

I

M

G

S

L

F

G

G

R

-

S

-

P

-

Y

-

T

L

G

K

F

L

W

A

G

G

T

A

L

K

S

K

K

E

E

V

D

I

K

N

A

Q

V

R

V

V

D

N

H

Q

A

V

I

A

E

E

L

V

V

L

G

Q

I

L

S

A

H

H

L

L

A

L

H

D

R
|
R

M

K

V

P

H

K

T
x
A

L

L

S
|
S

D

G

G
|
G

E
x
Q

R

R

Q

Q

K

R

V

V

M

A

I

I

A

G

K

R

A

T

L

L

A

V

Q

A

E

E

T

P

P

S

V

V

I

F

Y

L

L

L

D

D

E

E

P

P

T

L

A

S

F

N

L

L

D

D

F

A

P

A

S

L

K

R

V

V

E

Q

M

M

M

R

Q

I

L

E

L

I

H

S

L

R

L

L

S

H

R

K

Q

R

T

L

D

G

K

R

T

T

I

M

F

I

L

Y

S

V

T

T

H

H

D

D

L

Q

E

V

L

E

A

A

L

M

Q

T

I

L

A

A

D

D

K

K

I

I

W

V

L

V

M

L

D

D

K

A

V

G

N

R

G

V

V

A

T

Q

I

V

G

G

T

K

P

P

E

L

D

E

L

L

binding adenosine-5'-triphosphate: S35 (≠ N44), G36 (= G45), C37 (≠ V46), G38 (= G47), K39 (= K48), S40 (= S49), T41 (= T50), R126 (= R141), A130 (≠ T145), S132 (= S147), G134 (= G149), Q135 (≠ E150)

Sites not aligning to the query:

binding adenosine-5'-triphosphate: 10

8w9mD Cryo-em structure of the cyanobacterial nitrate transporter nrtbcd in complex with atp (see paper)
28% identity, 66% coverage: 15:236/337 of query aligns to 12:226/256 of 8w9mD

query
sites
8w9mD

Y
|
Y

P

P

G

T

K

P

G

E

D

G

V

P

K

Y

V

T

V

V

A

L

S

D

D

G

I

I

C

D

A

L

G

K

I

V

N

R

S

E

G

G

E

E

L

F

T

V

C

C

L

L

L

I

G

G

A
x
H

N
x
S

G
|
G

V

C

G
|
G

K
|
K

S
|
S

T
|
T

L

L

R

N

T

M

L

I

S

S

A

G

F

F

Q

N

P

T

R

P

L

S

S

E

G

G

E

V

I

V

R

L

I

L

E

Q

G

D

K

K

D

P

I

I

S

T

S

E

Y

P

T

G

D

P

K

D

Q

R

L

M

S

-

K

-

V

-

I

-

S

-

V

M

V

V

L

F

T
x
Q

E

N

K

Y

C

C

D

L

I

L

R

P

N

W

M

L

S

N

A

V

V

F

E

E

L

N

I

V

G

Y

L

L

G

A

R

V

S

D

P

-

Y

-

T

A

G

V

F

F

W

P

G

N

T

K

L

P

S

Q

K

A

E

E

D

K

K

R

A

A

V

I

V

V

D

R

H

E

A

H

I

L

E

A

L

M

V

V

G

G

I

L

S

T

H

E

L

A

A

A

H

E

R

K

M

K

V

P

H

S

T
x
Q

L

I

S
|
S

D

G

G
|
G

E
x
M

R

K

Q

Q

K

R

V

V

M

A

I

I

A

A

K

R

A

A

L

L

A

S

Q

I

E

R

T

P

P

Q

V

V

I

L

Y

I

L

L

D

D

E

Q

P

P

T

F

A

G

F

A

L

L

D

D

F

A

P

I

S

T

K

K

V

E

E

E

M

L

M

Q

Q

E

L

E

L

L

H

L

L

Q

L

I

S

W

R

S

Q

D

T

H

D

Q

K

V

T

T

I

V

F

L

L

M

S

I

T

T

H
|
H

D

D

L

I

E

D

L

E

A

A

L

L

Q

F

I

L

A

A

D

D

K

R

I

V

W

V

L

M

M

M

D

T

K

N

V

G

N

P

G

A

V

A

T

Q

I

I

G

G

T

E

P

I

E

L

D

D

L

I

S

P

L

F

D

D

binding adenosine-5'-triphosphate: Y12 (= Y15), H40 (≠ A43), S41 (≠ N44), G42 (= G45), G44 (= G47), K45 (= K48), S46 (= S49), T47 (= T50), Q82 (≠ T90), Q135 (≠ T145), S137 (= S147), G139 (= G149), M140 (≠ E150), H194 (= H204)
binding magnesium ion: S46 (= S49), Q82 (≠ T90)

P9WQJ9 Mycobactin import ATP-binding/permease protein IrtA; Iron-regulated transporter A; EC 7.2.2.- from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
32% identity, 70% coverage: 5:241/337 of query aligns to 609:838/859 of P9WQJ9

query
sites
P9WQJ9

T

T

I

V

H

V

I

F

K

D

N

H

L

V

C

T

I

F

G

G

Y

Y

-

R

P

P

G

G

K

-

G

-

D

-

V

V

K

P

V

V

V

I

A

-

S

Q

D

D

I

V

C

S

A

L

G

T

I

L

N

R

S

P

G

G

E

T

L

V

T

T

C

A

L

L

L

V

G

G

A

P

N

S

G

G

V

S

G

G

K

K

S

S

T

T

L

L

L

A

R

T

T

L

L

L

S

A

A

R

F

F

Q

H

P

D

R

V

L

E

S

R

G

G

E

A

I

I

R

R

I

V

E

G

G

G

K

Q

D

D

I

I

S

R

S

S

Y

L

T

A

D

A

K

D

Q

E

L

L

S

Y

K

T

V

R

I

V

S

G

V

F

V

V

L

L

T

Q

E

E

K

-

C

A

D

Q

I

L

R

V

N

H

M

G

S

T

A

A

V

A

E

E

L

N

I

I

G

A

L

L

G

A

R

V

S

P

P

D

Y

A

T

P

G

A

F

E

W

Q

G

V

T

Q

L

V

S

A

K

A

E

R

D

E

K

A

A

Q

V

I

V

H

D

D

H

R

A

V

I

L

E

R

L

L

V

P

G

D

I

G

S

Y

H

D

L

T

A

V

H

L

R

G

M

A

V

N

H

S

T

G

L

L

S

S

D

G

G

G

E

E

R

R

Q

Q

K

R

V

L

M

T

I

I

A

A

K

R

A

A

L

I

A

L

Q

G

E

D

T

T

P

P

V

V

I

L

Y

I

L

L

D

D

E

E

P

A

T

T

A

A

F

F

L

A

D

D

F

P

P

E

S

S

K

E

V

Y

E

L

M

V

M

Q

Q

Q

L

A

L

L

H

N

L

R

L

L

S

T

R

R

Q

-

T

-

D

D

K

R

T

T

I

V

F

L

L

V

S

I

T

A

H

H

D

R

L

L

E

H

L

-

A

T

L

I

Q

T

I

R

A

A

D

D

K

Q

I

I

W

V

L

V

M

L

D

D

K

H

V

G

N

R

G

I

V

V

T

E

I

R

G

G

T

T

P

H

E

E

D

E

L

L

S

L

L

A

D

A

G

G

S

G

L

R

S

Y

C

C

Sites not aligning to the query:

70 R→A: No change in FAD-binding and in activity.
72 Y→A: Decrease in FAD-binding and loss of activity.
73 T→A: Decrease in FAD-binding and loss of activity.

7wixA Cryo-em structure of mycobacterium tuberculosis irtab in complex with adp (see paper)
32% identity, 70% coverage: 5:241/337 of query aligns to 334:563/571 of 7wixA

query
sites
7wixA

T

T

I

V

H

V

I

F

K

D

N

H

L

V

C

T

I

F

G

G

Y
|
Y

-

R

P

P

G

G

K

-

G

-

D

-

V

V

K

P

V
|
V

V

I

A

-

S

Q

D

D

I

V

C

S

A

L

G

T

I

L

N

R

S

P

G

G

E

T

L

V

T

T

C

A

L

L

L

V

G

G

A

P

N
x
S

G
|
G

V

S

G
|
G

K
|
K

S
|
S

T
|
T

L

L

L

A

R

T