SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing N515DRAFT_3950 N515DRAFT_3950 lipopolysaccharide export system ATP-binding protein 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)

6mjpB Lptb(e163q)fgc from vibrio cholerae (see paper)
59% identity, 100% coverage: 1:239/239 of query aligns to 2:240/240 of 6mjpB

query
sites
6mjpB

M

I

L

L

S

K

A

A

E

Q

G

H

L

L

Q

A

K

K

R

S

F

Y

R

K

T

K

R

R

Q

K

V

V

R

S

D

D

F

V

A

S

F

L

S

Q

I

V

R

E

E

S

G

G

E

Q

V

I

V

V

G

G

L

L

G

G

P

P

N

N

G

G

A

A

G

G

K

K

T

T

C

S

F

F

Y

Y

M

M

V

I

V

V

G

G

L

L

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V

E

A

A

R

D

D

A

E

G

G

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Y

N

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D

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P

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H

A

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A

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K

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L

M

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G

I

I

G

G

Y

Y

L

L

P

P

Q

Q

E

E

P

A

S

S

V

I

F

F

R
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R

R
x
K

L

L

T

S

V

V

A

E

D

D

N

N

I

I

M

M

A

A

V

V

L

L

E

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L

T

R

R

E

E

N

E

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K

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A

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D

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E

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L

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A

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G

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A

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G

E

E

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V

E

E

I

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A

A

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A

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L

A

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N

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G

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H

N

N

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C

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A

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Y

I

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G

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E

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G

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P

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L

L

binding 6-cyclohexylhexyl beta-D-glucopyranoside: R90 (= R89), K91 (≠ R90)

6mjpA Lptb(e163q)fgc from vibrio cholerae (see paper)
59% identity, 100% coverage: 1:239/239 of query aligns to 2:240/240 of 6mjpA

query
sites
6mjpA

M

I

L

L

S

K

A

A

E

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G

H

L

L

Q

A

K

K

R

S

F

Y

R

K

T

K

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Q

K

V

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R

S

D

D

F

V

A

S

F

L

S

Q

I

V

R

E

E

S

G

G

E

Q

V

I

V

V

G

G

L

L

G

G

P

P

N

N

G

G

A

A

G

G

K

K

T

T

C

S

F

F

Y

Y

M

M

V

I

V

V

G

G

L

L

I

V

E

A

A

R

D

D

A

E

G

G

T

T

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K

D

Y

N

D

D

I

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P

M

M

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H

A

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A

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K

R

L

M

G

G

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I

G

G

Y

Y

L

L

P

P

Q

Q

E

E

P

A

S

S

V

I

F

F

R

R

R

K

L

L

T

S

V

V

A

E

D

D

N

N

I

I

M

M

A

A

V

V

L

L

E

Q

L

T

R

R

E

E

N

E

L

L

S

T

A

H

K
x
E

Q

E

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A

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G
x
D

E

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L

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E

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D

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E

E

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F

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G

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G

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E

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V

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E

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A

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A

A

L

L

A

A

E

N

P

P

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Y

F

M

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A

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N

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N

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Q

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V

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Y

L

L

G

G

R

E

E

Q

F

F

R

R

L

L

binding calcium ion: E111 (≠ K110), D115 (≠ G114)

6mbnA Lptb e163q in complex with atp (see paper)
61% identity, 100% coverage: 2:239/239 of query aligns to 4:241/241 of 6mbnA

query
sites
6mbnA

L

L

S

T

A

A

E

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G

N

L

L

Q

A

K

K

R

A

F
x
Y

R

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T

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R
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R

Q

R

V
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V

V

V

R

E

D

D

F

V

A

S

F

L

S

T

I

V

R

N

E

S

G

G

E

E

V

I

V

V

G

G

L

L

G

G

P
|
P

N
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N

G
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G

A
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A

G
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G

K
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K

T
|
T

C

T

F

F

Y

Y

M

M

V

V

G

G

L

I

I

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E

P

A

R

D

D

A

A

G

G

T

N

I

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L

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D

D

K

D

Y

D

D

D

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G

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P

P

M

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H

A

A

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R

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A

K

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R

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G

I

I

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G

Y

Y

L

L

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Q

E

E

P

A

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S

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I

F

F

R

R

L

L

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S

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V

A

Y

D

D

N

N

I

L

M

M

A

A

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V

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L

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L

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N

D

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A

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K

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M

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A

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G

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G

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L

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T

D

D

H
|
H

N

N

V

V

R

R

E

E

T

T

L

L

G

A

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C

C

D

E

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R

A

A

Y

Y

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G

G

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P

A

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E

I

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Q

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D

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E

K

H

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K

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R

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V

Y

Y

L

L

G

G

R

E

E

D

F

F

R

R

L

L

binding adenosine-5'-triphosphate: Y13 (≠ F11), R16 (= R14), V18 (= V16), P37 (= P35), N38 (= N36), G39 (= G37), A40 (= A38), G41 (= G39), K42 (= K40), T43 (= T41), T44 (= T42), Q85 (= Q83), H195 (= H193)

6s8nB Cryo-em structure of lptb2fgc in complex with lipopolysaccharide (see paper)
61% identity, 99% coverage: 2:237/239 of query aligns to 3:238/238 of 6s8nB

query
sites
6s8nB

L

L

S

T

A

A

E

K

G

N

L

L

Q

A

K

K

R

A

F

Y

R

K

T

G

R

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R

V

V

R

E

D

D

F

V

A

S

F

L

S

T

I

V

R

N

E

S

G

G

E

E

V

I

V

V

G

G

L

L

G

G

P

P

N

N

G

G

A

A

G

G

K

K

T

T

C

T

F

F

Y

Y

M

M

V

V

G

G

L

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A

R

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D

A

A

G

G

T

N

I

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K

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D

D

K

D

Y

D

D

D

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M

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H

A

A

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A

K

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R

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G

I

I

G

G

Y

Y

L

L

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Q

E

E

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V

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F

R
|
R

R

R

L

L

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S

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V

A

Y

D

D

N

N

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M

A

A

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V

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E

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L

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N

D

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E

E

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x
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G

I
x
Q

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L

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G

G

E

E

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R

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V

E

E

I

I

A

A

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R

A

A

L

L

A

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E

N

P

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M

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L

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D

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E

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P

F

F

A

A

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G

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D

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H

H

L

L

K

R

E

D

R

S

G

G

I

L

G

G

V

V

L

L

I

I

T

T

D

D

H

H

N

N

V

V

R

R

E

E

T

T

L

L

G

A

I

V

C

C

D

E

R

R

A

A

Y

Y

I

I

L

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N

S

D

Q

G

G

E

H

V

L

L

I

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A

R

H

G

G

T

T

P

P

A

T

H

E

I

I

L

L

A

Q

D

D

E

E

K

H

V

V

R

K

E

R

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V

Y

Y

L

L

G

G

R

E

E

D

F

F

binding 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione: R90 (= R89), M133 (≠ R132), G134 (= G133), Q135 (≠ I134)

6s8gA Cryo-em structure of lptb2fgc in complex with amp-pnp (see paper)
61% identity, 99% coverage: 2:237/239 of query aligns to 3:238/238 of 6s8gA

query
sites
6s8gA

L

L

S

T

A

A

E

K

G

N

L

L

Q

A

K

K

R

A

F
x
Y

R

K

T

G

R
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R

Q

R

V
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V

V

V

R

E

D

D

F

V

A

S

F

L

S

T

I

V

R

N

E

S

G

G

E

E

V

I

V

V

G

G

L

L

G

G

P

P

N
|
N

G
|
G

A

A

G
|
G

K
|
K

T
|
T

C

T

F

F

Y

Y

M

M

V

V

G

G

L

I

I

V

E

P

A

R

D

D

A

A

G

G

T

N

I

I

K

I

L

I

D

D

K

D

Y

D

D

D

I

I

T

S

G

L

L

L

P

P

M

L

H

H

A

A

R

R

A

A

K

R

L

R

G

G

I

I

G

G

Y

Y

L

L

P

P

Q
|
Q

E

E

P

A

S

S

V

I

F

F

R

R

L

L

T

S

V

V

A

Y

D

D

N

N

I

L

M

M

A

A

V

V

L

L

E

Q

L

I

R

R

E

D

N

D

L

L

S

S

A

A

K

E

Q

Q

R

R

A

E

G

D

E

R

L

A

E

N

S

E

L

L

L

M

D

E

E

E

L

F

K

H

I

I

A

E

H

H

I

L

A

R

D

D

Q

S

R

M

G

G

I

Q

S
|
S

L

L

S
|
S

G

G

E
|
E

R

R

V

V

E

E

I

I

A

A

R

R

A

A

L

L

A

A

E

N

P

P

R

K

Y

F

M

I

L

L

D

D

E

E

P

P

F

F

A

A

G

G

V

V

D

D

P

P

I

I

S

S

V

V

G

I

E

D

I

I

Q

K

R

R

I

I

V

I

R

E

H

H

L

L

K

R

E

D

R

S

G

G

I

L

G

G

V

V

L

L

I

I

T

T

D

D

H
|
H

N

N

V

V

R

R

E

E

T

T

L

L

G

A

I

V

C

C

D

E

R

R

A

A

Y

Y

I

I

L

V

N

S

D

Q

G

G

E

H

V

L

L

I

S

A

R

H

G

G

T

T

P

P

A

T

H

E

I

I

L

L

A

Q

D

D

E

E

K

H

V

V

R

K

E

R

V

V

Y

Y

L

L

G

G

R

E

E

D

F

F

binding phosphoaminophosphonic acid-adenylate ester: Y12 (≠ F11), R15 (= R14), V17 (= V16), N37 (= N36), G38 (= G37), G40 (= G39), K41 (= K40), T42 (= T41), T43 (= T42), Q84 (= Q83), S136 (= S135), S138 (= S137), E141 (= E140), H194 (= H193)

6mhzA Vanadate trapped cryo-em structure of e.Coli lptb2fg transporter (see paper)
62% identity, 97% coverage: 2:234/239 of query aligns to 3:235/235 of 6mhzA

query
sites
6mhzA

L

L

S

T

A

A

E

K

G

N

L

L

Q

A

K

K

R

A

F
x
Y

R

K

T

G

R

R

Q

R

V

V

R

E

D

D

F

V

A

S

F

L

S

T

I

V

R

N

E

S

G

G

E

E

V

I

V

V

G

G

L

L

G

G

P
|
P

N
|
N

G
|
G

A
|
A

G
|
G

K
|
K

T
|
T

C

T

F

F

Y

Y

M

M

V

V

G

G

L

I

I

V

E

P

A

R

D

D

A

A

G

G

T

N

I

I

K

I

L

I

D

D

K

D

Y

D

D

D

I

I

T

S

G

L

L

L

P

P

M

L

H

H

A

A

R

R

A

A

K

R

L

R

G

G

I

I

G

G

Y

Y

L

L

P

P

Q
|
Q

E

E

P

A

S

S

V

I

F

F

R

R

L

L

T

S

V

V

A

Y

D

D

N

N

I

L

M

M

A

A

V

V

L

L

E

Q

L

I

R

R

E

D

N

D

L

L

S

S

A

A

K

E

Q

Q

R

R

A

E

G

D

E

R

L

A

E

N

S

E

L

L

L

M

D

E

E

E

L

F

K

H

I

I

A

E

H

H

I

L

A

R

D

D

Q

S

R

M

G

G

I

Q

S
|
S

L

L

S
|
S

G
|
G

E
|
E

R

R

V

V

E

E

I

I

A

A

R

R

A

A

L

L

A

A

E

N

P

P

R

K

Y

F

M

I

L

L

D

D

E
|
E

P

P

F

F

A

A

G
|
G

V

V

D

D

P

P

I

I

S

S

V

V

G

I

E

D

I

I

Q

K

R

R

I

I

V

I

R

E

H

H

L

L

K

R

E

D

R

S

G

G

I

L

G

G

V

V

L

L

I

I

T

T

D

D

H
|
H

N

N

V

V

R

R

E

E

T

T

L

L

G

A

I

V

C

C

D

E

R

R

A

A

Y

Y

I

I

L

V

N

S

D

Q

G

G

E

H

V

L

L

I

S

A

R

H

G

G

T

T

P

P

A

T

H

E

I

I

L

L

A

Q

D

D

E

E

K

H

V

V

R

K

E

R

V

V

Y

Y

L

L

G

G

binding adp orthovanadate: Y12 (≠ F11), P36 (= P35), N37 (= N36), G38 (= G37), A39 (= A38), G40 (= G39), K41 (= K40), T42 (= T41), T43 (= T42), Q84 (= Q83), S136 (= S135), S138 (= S137), G139 (= G138), G140 (= G139), E141 (= E140), E162 (= E161), G166 (= G165), H194 (= H193)

6b89A E. Coli lptb in complex with adp and novobiocin (see paper)
62% identity, 97% coverage: 2:233/239 of query aligns to 3:234/234 of 6b89A

query
sites
6b89A

L

L

S

T

A

A

E

K

G

N

L

L

Q

A

K

K

R

A

F
x
Y

R

K

T

G

R
|
R

Q

R

V
|
V

V

V

R

E

D

D

F

V

A

S

F

L

S

T

I

V

R

N

E

S

G

G

E

E

V

I

V

V

G

G

L

L

G

G

P

P

N
|
N

G
|
G

A
|
A

G
|
G

K
|
K

T
|
T

C

T

F

F

Y

Y

M

M

V

V

G

G

L

I

I

V

E

P

A

R

D

D

A

A

G

G

T

N

I

I

K

I

L

I

D

D

K

D

Y

D

D

D

I

I

T

S

G

L

L

L

P

P

M
x
L

H
|
H

A

A

R

R

A

A

K

R

L

R

G

G

I

I

G

G

Y
|
Y

L

L

P
|
P

Q
|
Q

E
|
E

P
x
A

S
|
S

V

I

F
|
F

R
|
R

L
|
L

T

S

V

V

A

Y

D

D

N

N

I

L

M

M

A

A

V
|
V

L

L

E

Q

L

I

R

R

E

D

N

D

L

L

S

S

A

A

K

E

Q

Q

R

R

A

E

G

D

E

R

L

A

E

N

S

E

L

L

L

M

D

E

E

E

L

F

K

H

I

I

A

E

H

H

I

L

A

R

D

D

Q

S

R

M

G

G

I
x
Q

S

S

L

L

S

S

G

G

E

E

R

R

V

V

E

E

I

I

A

A

R
|
R

A

A

L

L

A

A

E

N

P

P

R

K

Y

F

M

I

L

L

D

D

E

E

P

P

F

F

A

A

G

G

V

V

D

D

P

P

I

I

S

S

V

V

G

I

E

D

I

I

Q

K

R

R

I

I

V

I

R

E

H

H

L

L

K

R

E

D

R

S

G

G

I

L

G

G

V

V

L

L

I

I

T

T

D

D

H

H

N

N

V

V

R

R

E

E

T

T

L

L

G

A

I

V

C

C

D

E

R

R

A

A

Y

Y

I

I

L

V

N

S

D

Q

G

G

E

H

V

L

L

I

S

A

R

H

G

G

T

T

P

P

A

T

H

E

I

I

L

L

A

Q

D

D

E

E

K

H

V

V

R

K

E

R

V

V

Y

Y

L

L

binding adenosine-5'-diphosphate: Y12 (≠ F11), R15 (= R14), V17 (= V16), N37 (= N36), G38 (= G37), A39 (= A38), G40 (= G39), K41 (= K40), T42 (= T41), T43 (= T42)
binding magnesium ion: T42 (= T41), Q84 (= Q83)
binding novobiocin: L71 (≠ M70), H72 (= H71), Y81 (= Y80), P83 (= P82), E85 (= E84), A86 (≠ P85), S87 (= S86), F89 (= F88), F89 (= F88), R90 (= R89), R91 (= R90), L92 (= L91), V101 (= V100), Q135 (≠ I134), R149 (= R148)

4p31A Crystal structure of a selenomethionine derivative of e. Coli lptb in complex with adp-magensium (see paper)
62% identity, 97% coverage: 2:233/239 of query aligns to 3:234/234 of 4p31A

query
sites
4p31A

L

L

S

T

A

A

E

K

G

N

L

L

Q

A

K

K

R

A

F
x
Y

R

K

T

G

R
|
R

Q

R

V
|
V

V

V

R

E

D

D

F

V

A

S

F

L

S

T

I

V

R

N

E

S

G

G

E

E

V

I

V

V

G

G

L

L

G

G

P

P

N
|
N

G
|
G

A
|
A

G
|
G

K
|
K

T
|
T

C

T

F

F

Y

Y

M

M

V

V

G

G

L

I

I

V

E

P

A

R

D

D

A

A

G

G

T

N

I

I

K

I

L

I

D

D

K

D

Y

D

D

D

I

I

T

S

G

L

L

L

P

P

M

L

H

H

A

A

R

R

A

A

K

R

L

R

G

G

I

I

G

G

Y

Y

L

L

P

P

Q
|
Q

E

E

P

A

S

S

V

I

F

F

R

R

L

L

T

S

V

V

A

Y

D

D

N

N

I

L

M

M

A

A

V

V

L

L

E

Q

L

I

R

R

E

D

N

D

L

L

S

S

A

A

K

E

Q

Q

R

R

A

E

G

D

E

R

L

A

E

N

S

E

L

L

L

M

D

E

E

E

L

F

K

H

I

I

A

E

H

H

I

L

A

R

D

D

Q

S

R

M

G

G

I

Q

S

S

L

L

S

S

G

G

E

E

R

R

V

V

E

E

I

I

A

A

R

R

A

A

L

L

A

A

E

N

P

P

R

K

Y

F

M

I

L

L

D

D

E

E

P

P

F

F

A

A

G

G

V

V

D

D

P

P

I

I

S

S

V

V

G

I

E

D

I

I

Q

K

R

R

I

I

V

I

R

E

H

H

L

L

K

R

E

D

R

S

G

G

I

L

G

G

V

V

L

L

I

I

T

T

D

D

H

H

N

N

V

V

R

R

E

E

T

T

L

L

G

A

I

V

C

C

D

E

R

R

A

A

Y

Y

I

I

L

V

N

S

D

Q

G

G

E

H

V

L

L

I

S

A

R

H

G

G

T

T

P

P

A

T

H

E

I

I

L

L

A

Q

D

D

E

E

K

H

V

V

R

K

E

R

V

V

Y

Y

L

L

binding adenosine-5'-diphosphate: Y12 (≠ F11), R15 (= R14), V17 (= V16), N37 (= N36), G38 (= G37), A39 (= A38), G40 (= G39), K41 (= K40), T42 (= T41), T43 (= T42)
binding magnesium ion: T42 (= T41), Q84 (= Q83)

6b8bA E. Coli lptb in complex with adp and a novobiocin derivative (see paper)
61% identity, 97% coverage: 2:232/239 of query aligns to 3:233/233 of 6b8bA

query
sites
6b8bA

L

L

S

T

A

A

E

K

G

N

L

L

Q

A

K

K

R

A

F
x
Y

R

K

T

G

R
|
R

Q

R

V
|
V

V

V

R

E

D

D

F

V

A

S

F

L

S

T

I

V

R

N

E

S

G

G

E

E

V

I

V

V

G

G

L

L

G

G

P

P

N
|
N

G
|
G

A
|
A

G
|
G

K
|
K

T
|
T

C

T

F

F

Y

Y

M

M

V

V

G

G

L

I

I

V

E

P

A

R

D

D

A

A

G

G

T

N

I

I

K

I

L

I

D

D

K

D

Y

D

D

D

I

I

T

S

G

L

L

L

P

P

M

L

H

H

A

A

R

R

A

A

K

R

L

R

G

G

I

I

G

G

Y

Y

L

L

P

P

Q

Q

E

E

P

A

S

S

V

I

F
|
F

R
|
R

L

L

T

S

V

V

A

Y

D

D

N

N

I

L

M

M

A

A

V

V

L

L

E

Q

L

I

R

R

E

D

N

D

L

L

S

S

A

A

K

E

Q

Q

R

R

A

E

G

D

E

R

L

A

E

N

S

E

L

L

L

M

D

E

E

E

L

F

K

H

I

I

A

E

H

H

I

L

A

R

D

D

Q

S

R

M

G

G

I

Q

S

S

L

L

S

S

G

G

E

E

R

R

V

V

E

E

I

I

A

A

R

R

A

A

L

L

A

A

E

N

P

P

R

K

Y

F

M

I

L

L

D

D

E

E

P

P

F

F

A

A

G

G

V

V

D

D

P

P

I

I

S

S

V

V

G

I

E

D

I

I

Q

K

R

R

I

I

V

I

R

E

H

H

L

L

K

R

E

D

R

S

G

G

I

L

G

G

V

V

L

L

I

I

T

T

D

D

H

H

N

N

V

V

R

R

E

E

T

T

L

L

G

A

I

V

C

C

D

E

R

R

A

A

Y

Y

I

I

L

V

N

S

D

Q

G

G

E

H

V

L

L

I

S

A

R

H

G

G

T

T

P

P

A

T

H

E

I

I

L

L

A

Q

D

D

E

E

K

H

V

V

R

K

E

R

V

V

Y

Y

binding adenosine-5'-diphosphate: Y12 (≠ F11), R15 (= R14), V17 (= V16), N37 (= N36), G38 (= G37), A39 (= A38), G40 (= G39), K41 (= K40), T42 (= T41), T43 (= T42)
binding (3s,5s,7s)-N-{7-[(3-O-carbamoyl-6-deoxy-5-methyl-4-O-methyl-beta-D-gulopyranosyl)oxy]-4-hydroxy-8-methyl-2-oxo-2H-1-benzopyran-3-yl}tricyclo[3.3.1.1~3,7~]decane-1-carboxamide: F89 (= F88), R90 (= R89), R91 (= R90)

1ji0A Crystal structure analysis of the abc transporter from thermotoga maritima
31% identity, 98% coverage: 1:234/239 of query aligns to 6:238/240 of 1ji0A

query
sites
1ji0A

M

V

L

L

S

E

A

V

E

Q

G

S

L

L

Q

H

K

V

R

Y

F
x
Y

R

G

T

A

R
x
I

Q

H

V
x
A

V

I

R

K

D

G

F

I

A

D

F

L

S

K

I

V

R

P

E

R

G

G

E

Q

V

I

V

V

G

T

L

L

L

I

G

G

P

A

N
|
N

G
|
G

A
|
A

G
|
G

K
|
K

T
|
T

C

T

F

L

Y

S

M

A

V

I

V

A

G

G

L

L

I

V

E

R

A

A

D

Q

A

K

G

G

T

K

I

I

K

I

L

F

D

N

K

G

Y

Q

D

D

I

I

T

T

G

N

L

K

P

P

M

A

H

H

A

V

R

I

A

N

K

R

L

M

G

G

I

I

G

A

Y

L

L

V

P

P

Q
x
E

E

G

P

R

S

R

V

I

F

F

R

P

R

E

L

L

T

T

V

V

A

Y

D

E

N

N

I

L

M

M

A

M

V

G

L

A

E

Y

L

N

R

R

E

K

N

D

L

K

S

E

A

G

K

I

Q

K

R

R

A

D

G

L

E

E

-

W

L

I

E

F

S

S

L

L

L

F

D

P

E

R

L

L

K

K

I

-

A

-

H

E

I

R

A

L

D

K

Q

Q

R

L

G

G

I

G

S

T

L

L

S

S

G

G

E

E

R

Q

R

M

V

L

E

A

I

I

A

G

R

R

A

A

L

L

A

M

A

S

E

R

P

P

R

K

Y

L

M

L

L

M

D
|
D

E
|
E

P

P

F

S

A

L

G

G

V

L

D

A

P

P

I

I

S

L

V

V

G

S

E

E

I

V

Q

F

R

E

I

V

V

I

R

Q

H

K

L

I

K

N

E

Q

R

E

G

G

I

T

G

T

V

I

L

L

I

L

T

V

D

E

H

Q

N

N

V

A

R

L

E

G

T

A

L

L

G

K

I

V

C

A

D

H

R

Y

A

G

Y

Y

I

V

L

L

N

E

D

T

G

G

E

Q

V

I

L

V

S

L

R

E

G

G

T

K

P

A

A

S

H

E

I

L

L

L

A

D

D

N

E

E

K

M

V

V

R

R

E

K

V

A

Y

Y

L

L

G

G

binding adenosine-5'-triphosphate: Y16 (≠ F11), I19 (≠ R14), A21 (≠ V16), N41 (= N36), G42 (= G37), A43 (= A38), G44 (= G39), K45 (= K40), T46 (= T41), T47 (= T42), E88 (≠ Q83), D164 (= D160), E165 (= E161)

1g6hA Crystal structure of the adp conformation of mj1267, an atp- binding cassette of an abc transporter (see paper)
30% identity, 98% coverage: 1:235/239 of query aligns to 4:254/254 of 1g6hA

query
sites
1g6hA

M

I

L

L

S

R

A

T

E

E

G

N

L

I

Q

V

K

K

R

Y

F
|
F

R

G

T

E

R
x
F

Q

K

V

A

V

L

R

D

D

G

F

V

A

S

F

I

S

S

I

V

R

N

E

K

G

G

E

D

V

V

V

T

G

L

L

I

G

G

P

P

N
|
N

G
|
G

A
x
S

G
|
G

K
|
K

T
x
S

T
|
T

C

L

F

I

Y

N

M

V

V

I

V

T

G

G

L

F

I

L

E

K

A

A

D

D

A

E

G

G

T

R

I

V

K

Y

L

F

D

E

K

N

Y

K

D

D

I

I

T

T

G

N

L

K

P

E

M

P

H

A

A

E

R

L

A

Y

K

H

L

Y

G

G

I

I

G

V

Y

R

L

T

P

F

Q

Q

E

T

P

P

S

Q

V

P

F

L

R

K

R

E

L

M

T

T

V

V

A

L

D

E

N

N

I

L

M

L

-

I

-

G

-

E

-

I

-

C

-

P

A

G

V

E

L

S

E

P

L

L

R

N

E

S

N

L

L

F

S

Y

A

K

K

K

Q

W

R

I

A

P

G

K

E

E

L

E

E

E

-

M

-

V

-

E

-

K

-

A

-

F

S

K

L

I

L

L

D

E

E

F

L

L

K

K

I

L

A

S

H

H

I

L

A

Y

D

D

Q

R

R

K

G

A

I

G

S

E

L

L

S

S

G

G

E

Q

R

M

R

K

R

L

V

V

E

E

I

I

A

G

R

R

A

A

L

L

A

M

A

T

E

N

P

P

R

K

Y

M

M

I

L

V

L

M

D

D

E

E

P

P

F

I

A

A

G

G

V

V

D

A

P

P

I

G

S

L

V

A

G

H

E

D

I

I

Q

F

R

N

I

H

V

V

R

L

H

E

L

L

K

K

E

A

R

K

G

G

I

I

G

T

V

F

L

L

I

I

T

I

D

E

H

H

N

R

V

L

R

D

E

I

T

V

L

L

G

N

I

Y

C

I

D

D

R

H

A

L

Y

Y

I

V

L

M

N

F

D

N

G

G

E

Q

V

I

L

I

S

A

R

E

G

G

-

R

-

G

-

E

T

E

P

I

A

K

H

N

I

V

L

L

A

S

D

D

E

P

K

K

V

V

R

V

E

E

V

I

Y

Y

L

I

G

G

R

E

binding adenosine-5'-diphosphate: F14 (= F11), F17 (≠ R14), N39 (= N36), G40 (= G37), S41 (≠ A38), G42 (= G39), K43 (= K40), S44 (≠ T41), T45 (= T42)

7d0aB Acinetobacter mlafedb complex in adp-vanadate trapped vclose conformation (see paper)
35% identity, 88% coverage: 14:224/239 of query aligns to 17:230/263 of 7d0aB

query
sites
7d0aB

R
|
R

Q

V

V

I

V

Y

R

D

D

N

F

I

A

S

F

L

S

N

I

I

R

R

E

R

G

G

E

Q

V

I

V

T

G

A

L

I

L

M

G

G

P

P

N
x
S

G
|
G

A
x
T

G
|
G

K
|
K

T

T

C

L

F

L

Y

R

M

L

V

I

V

G

G

G

L

Q

I
x
L

E

V

A

P

D

D

A

Q

G

G

T

E

I

V

K

L

L

L

D

D

K

G

Y

K

D

D

I

I

T

A

G

Q

L

M

P

S

-

R

-

Q

-

E

-

L

M

F

H

A

A

A

R

R

A

A

K

R

L

M

G

G

I

M

G

-

Y

-

L

L

P

F

Q

Q

E

S

P

G

S

A

V

L

F

F

R

T

R

D

L

M

T

S

V

V

A

Y

D

E

N

N

-

V

-

A

-

F

-

P

I

I

M

R

A

A

V

H

L

T

E

K

L

L

R

S

E

E

N

N

L

L

S

I

A

A

K

E

Q

L

R

V

A

A

G

L

E

K

L

L

E

E

S

S

L

V

L

-

D

-

E

-

L

-

K

G

I

L

A

R

H

G

I

T

A

E

D

Q

Q

L

R

M

G

P

I

T

S
x
E

L

L

S
|
S

G

G

G
|
G

E
x
M

R

N

R

R

V

V

E

A

I

L

A

A

R

R

A

A

L

I

A

A

A

L

E

D

P

P

R

D

Y

L

M

I

L

M

L

Y

D

D

E

E

P

P

F

F

A

A

G

G

V

Q

D

D

P

P

I

I

S

V

V

K

G

G

E

V

I

L

Q

T

R

R

I

L

V

I

R

R

H

S

L

L

K

R

E

E

R

A

-

L

G

D

I

L

G

T

V

T

L

I

I

I

T

V

D

S

H

H

N

D

V

V

R

P

E

E

T

T

L

L

G

S

I

I

C

A

D

D

R

Y

A

I

Y

Y

I

V

L

V

N

A

D

E

G

G

E

K

V

I

L

Q

S

G

R

E

G

G

T

T

P

P

A

E

H

E

I

L

L

Q

A

A

binding adenosine-5'-diphosphate: R17 (= R14), S39 (≠ N36), G40 (= G37), T41 (≠ A38), G42 (= G39), K43 (= K40), L54 (≠ I51), E140 (≠ S135), S142 (= S137), G144 (= G139), M145 (≠ E140)

Sites not aligning to the query:

binding adenosine-5'-diphosphate: 14, 15

7d08B Acinetobacter mlafedb complex in atp-bound vtrans1 conformation (see paper)
35% identity, 88% coverage: 14:224/239 of query aligns to 17:230/263 of 7d08B

query
sites
7d08B

R
|
R

Q

V

V

I

V

Y

R

D

D

N

F

I

A

S

F

L

S

N

I

I

R

R

E

R

G

G

E

Q

V

I

V

T

G

A

L

I

L

M

G

G

P

P

N

S

G
|
G

A
x
T

G
|
G

K
|
K

T
|
T

C

L

F

L

Y

R

M

L

V

I

V

G

G

G

L

Q

I

L

E

V

A

P

D

D

A

Q

G

G

T

E

I

V

K

L

L

L

D

D

K

G

Y

K

D

D

I

I

T

A

G

Q

L

M

P

S

-

R

-

Q

-

E

-

L

M

F

H

A

A

A

R

R

A

A

K

R

L

M

G

G

I

M

G

-

Y

-

L

L

P

F

Q
|
Q

E

S

P

G

S

A

V

L

F

F

R

T

R

D

L

M

T

S

V

V

A

Y

D

E

N

N

-

V

-

A

-

F

-

P

I

I

M

R

A

A

V

H

L

T

E

K

L

L

R

S

E

E

N

N

L

L

S

I

A

A

K

E

Q

L

R

V

A

A

G

L

E

K

L

L

E

E

S

S

L

V

L

-

D

-

E

-

L

-

K

G

I

L

A

R

H

G

I

T

A

E

D

Q

Q

L

R

M

G

P

I

T

S

E

L

L

S

S

G

G

E

M

R

N

R

R

V

V

E

A

I

L

A

A

R

R

A

A

L

I

A

A

A

L

E

D

P

P

R

D

Y

L

M

I

L

M

L

Y

D
|
D

E
|
E

P

P

F

F

A

A

G

G

V

Q

D

D

P

P

I

I

S

V

V

K

G

G

E

V

I

L

Q

T

R

R

I

L

V

I

R

R

H

S

L

L

K

R

E

E

R

A

-

L

G

D

I

L

G

T

V

T

L

I

I

I

T

V

D

S

H

H

N

D

V

V

R

P

E

E

T

T

L

L

G

S

I

I

C

A

D

D

R

Y

A

I

Y

Y

I

V

L

V

N

A

D

E

G

G

E

K

V

I

L

Q

S

G

R

E

G

G

T

T

P

P

A

E

H

E

I

L

L

Q

A

A

binding adenosine-5'-triphosphate: R17 (= R14), G40 (= G37), T41 (≠ A38), G42 (= G39), K43 (= K40), T44 (= T41), T45 (= T42), Q88 (= Q83), D165 (= D160), E166 (= E161)

Sites not aligning to the query:

binding adenosine-5'-triphosphate: 14

6z5uK Cryo-em structure of the a. Baumannii mlabdef complex bound to appnhp (see paper)
35% identity, 88% coverage: 14:224/239 of query aligns to 15:228/253 of 6z5uK

query
sites
6z5uK

R

R

Q

V

V

I

V

Y

R

D

D

N

F

I

A

S

F

L

S

N

I

I

R

R

E

R

G

G

E

Q

V

I

V

T

G

A

L

I

L

M

G

G

P

P

N
x
S

G
|
G

A
x
T

G
|
G

K
|
K

T
|
T

C

L

F

L

Y

R

M

L

V

I

V

G

G

G

L

Q

I

L

E

V

A

P

D

D

A

Q

G

G

T

E

I

V

K

L

L

L

D

D

K

G

Y

K

D

D

I

I

T

A

G

Q

L

M

P

S

-

R

-

Q

-

E

-

L

M

F

H

A

A

A

R

R

A

A

K

R

L

M

G

G

I

M

G

-

Y

-

L

L

P

F

Q
|
Q

E

S

P

G

S

A

V

L

F

F

R

T

R

D

L

M

T

S

V

V

A

Y

D

E

N

N

-

V

-

A

-

F

-

P

I

I

M

R

A

A

V

H

L

T

E

K

L

L

R

S

E

E

N

N

L

L

S

I

A

A

K

E

Q

L

R

V

A

A

G

L

E

K

L

L

E

E

S

S

L

V

L

-

D

-

E

-

L

-

K

G

I

L

A

R

H

G

I

T

A

E

D

Q

Q

L

R

M

G

P

I

T

S

E

L

L

S

S

G

G

E

M

R

N

R

R

V

V

E

A

I

L

A

A

R

R

A

A

L

I

A

A

A

L

E

D

P

P

R

D

Y

L

M

I

L

M

L

Y

D

D

E
|
E

P

P

F

F

A

A

G

G

V

Q

D

D

P

P

I

I

S

V

V

K

G

G

E

V

I

L

Q

T

R

R

I

L

V

I

R

R

H

S

L

L

K

R

E

E

R

A

-

L

G

D

I

L

G

T

V

T

L

I

I

I

T

V

D

S

H
|
H

N

D

V

V

R

P

E

E

T

T

L

L

G

S

I

I

C

A

D

D

R

Y

A

I

Y

Y

I

V

L

V

N

A

D

E

G

G

E

K

V

I

L

Q

S

G

R

E

G

G

T

T

P

P

A

E

H

E

I

L

L

Q

A

A

binding phosphoaminophosphonic acid-adenylate ester: S37 (≠ N36), G38 (= G37), T39 (≠ A38), G40 (= G39), K41 (= K40), T42 (= T41), T43 (= T42), Q86 (= Q83), E164 (= E161), H197 (= H193)
binding magnesium ion: Q86 (= Q83), E164 (= E161)

Sites not aligning to the query:

binding phosphoaminophosphonic acid-adenylate ester: 12

1g9xB Characterization of the twinning structure of mj1267, an atp-binding cassette of an abc transporter (see paper)
30% identity, 98% coverage: 1:234/239 of query aligns to 4:253/253 of 1g9xB

query
sites
1g9xB

M

I

L

L

S

R

A

T

E

E

G

N

L

I

Q

V

K

K

R

Y

F
|
F

R

G

T

E

R
x
F

Q

K

V

A

V

L

R

D

D

G

F

V

A

S

F

I

S

S

I

V

R

C

E

K

G

G

E

D

V

V

V

T

G

L

L

I

G

G

P

P

N
|
N

G
|
G

A
x
S

G
|
G

K
|
K

T
x
S

T
|
T

C

L

F

I

Y

N

M

V

V

I

V

T

G

G

L

F

I

L

E

K

A

A

D

D

A

E

G

G

T

R

I

V

K

Y

L

F

D

E

K

N

Y

K

D

D

I

I

T

T

G

N

L

K

P

E

M

P

H

A

A

E

R

L

A

Y

K

H

L

Y

G

G

I

I

G

V

Y

R

L

T

P

F

Q

Q

E

T

P

P

S

Q

V

P

F

L

R

K

R

E

L

M

T

T

V

V

A

L

D

E

N

N

I

L

M

L

A

-

V

I

L

G

E

E

L

I

R

N

-

P

-

G

-

E

-

S

-

P

-

L

E

N

N

S

L

L

S

F

A

Y

K

K

Q

K

R

W

A

I

G

P

E

K

L

E

E

E

S

E

L

M

L

V

D

E

E

K

-

A

-

F

-

K

-

I

-

L

-

E

-

F

L

L

K

K

I

L

A

S

H

H

I

L

A

Y

D

D

Q

R

R

K

G

A

I

G

S

E

L

L

S

S

G

G

E

Q

R

M

R

K

R

L

V

V

E

E

I

I

A

G

R

R

A

A

L

L

A

M

A

T

E

N

P

P

R

K

Y

M

M

I

L

V

L

M

D

D

E
|
E

P

P

F

I

A

A

G

G

V

V

D

A

P

P

I

G

S

L

V

A

G

H

E

D

I

I

Q

F

R

N

I

H

V

V

R

L

H

E

L

L

K

K

E

A

R

K

G

G

I

I

G

T

V

F

L

L

I

I

T

I

D

E

H

H

N

R

V

L

R

D

E

I

T

V

L

L

G

N

I

Y

C

I

D

D

R

H

A

L

Y

Y

I

V

L

M

N

F

D

N

G

G

E

Q

V

I

L

I

S

A

R

E

G

G

-

R

-

G

-

E

T

E

P

I

A

K

H

N

I

V

L

L

A

S

D

D

E

P

K

K

V

V

R

V

E

E

V

I

Y

Y

L

I

G

G

binding adenosine-5'-diphosphate: F14 (= F11), F17 (≠ R14), N39 (= N36), G40 (= G37), S41 (≠ A38), G42 (= G39), K43 (= K40), S44 (≠ T41), T45 (= T42)
binding magnesium ion: S44 (≠ T41), E176 (= E161)

3c4jA Abc protein artp in complex with atp-gamma-s
32% identity, 93% coverage: 1:223/239 of query aligns to 3:226/242 of 3c4jA

query
sites
3c4jA

M

M

L

I

S

D

A

V

E

H

G

Q

L

L

Q

K

K

K

R

S

F
|
F

R

G

T

S

R

L

Q

E

V
|
V

V

L

R

K

D

G

F

I

A

N

F

V

S

H

I

I

R

R

E

E

G

G

E

E

V

V

G

V

L

V

L

I

G

G

P
|
P

N
x
S

G
|
G

A
x
S

G
|
G

K
|
K

T
x
S

T
|
T

C

F

F

L

Y

R

M

C

V

L

V

N

G

L

L

L

I

E

E

D

A

F

D

D

A

E

G

G

T

E

I

I

K

I

L

I

D

D

K

G

Y

I

D

N

I

L

T

K

G

A

L

K

P

D

M

T

H

N

-

L

A

N

R

K

A

V

K

R

L

E

G

E

I

V

G

G

Y

M

L

V

P

F

Q

Q

E

R

P

F

S

N

V

L

F

F

R

P

R

H

L

M

T

T

V

V

A

L

D

N

N

N

I

I

-

T

M

L

A

A

V

P

L

M

E

K

L

V

R

R

E

K

N

W

L

P

S

R

A

E

K

K

Q

A

R

E

A

A

G

K

E

A

L

M

E

E

S

-

L

L

D

D

E

K

L

V

K

G

I

L

A

K

H

D

I

K

A

A

D
x
H

Q

A

R
x
Y

G

P

I

D

S

S

L

L

S

S

G

G

E

Q

R

A

R

Q

R

R

V

V

E

A

I

I

A

A

R

R

A

A

L

L

A

A

A

M

E

E

P

P

R

K

Y

I

M

M

L

L

L

F

D

D

E
|
E

P

P

F

T

A

S

G

A

V

L

D

D

P

P

I

E

S

M

V

V

G

G

E

E

I

V

Q

L

R

S

I

V

V

M

R

K

H

Q

L

L

K

A

E

N

R

E

G

G

I

M

G

T

V

M

L

V

I

V

T

V

D

T

H

H

N

E

V

M

R

G

E

F

T

A

L

R

G

E

I

V

C

G

D

D

R

R

A

V

Y

L

I

F

L

M

N

D

D

G

G

G

E

Y

V

I

L

I

S

E

R

E

G

G

T

K

P

P

A

E

H

D

I

L

L

F

binding phosphothiophosphoric acid-adenylate ester: F13 (= F11), V18 (= V16), P37 (= P35), S38 (≠ N36), G39 (= G37), S40 (≠ A38), G41 (= G39), K42 (= K40), S43 (≠ T41), T44 (= T42), H133 (≠ D130), Y135 (≠ R132), E164 (= E161)

3c41J Abc protein artp in complex with amp-pnp/mg2+
32% identity, 93% coverage: 1:223/239 of query aligns to 3:226/242 of 3c41J

query
sites
3c41J

M

M

L

I

S

D

A

V

E

H

G

Q

L

L

Q

K

K

K

R

S

F
|
F

R

G

T

S

R

L

Q

E

V
|
V

V

L

R

K

D

G

F

I

A

N

F

V

S

H

I

I

R

R

E

E

G

G

E

E

V

V

G

V

L

V

L

I

G

G

P
|
P

N
x
S

G
|
G

A
x
S

G
|
G

K
|
K

T
x
S

T
|
T

C

F

F

L

Y
x
R

M

C

V

L

V

N

G

L

L

L

I

E

E

D

A

F

D

D

A

E

G

G

T

E

I

I

K

I

L

I

D

D

K

G

Y

I

D

N

I

L

T

K

G

A

L

K

P

D

M

T

H

N

-

L

A

N

R

K

A

V

K

R

L

E

G

E

I

V

G

G

Y

M

L

V

P

F

Q

Q

E

R

P

F

S

N

V

L

F

F

R

P

R

H

L

M

T

T

V

V

A

L

D

N

N

N

I

I

-

T

M

L

A

A

V

P

L

M

E

K

L

V

R

R

E

K

N

W

L

P

S

R

A

E

K

K

Q

A

R

E

A

A

G

K

E

A

L

M

E

E

S

-

L

L

D

D

E

K

L

V

K

G

I

L

A

K

H

D

I

K

A

A

D
x
H

Q

A

R
x
Y

G

P

I

D

S

S

L

L

S

S

G

G

E

Q

R

A

R

Q

R

R

V

V

E

A

I

I

A

A

R

R

A

A

L

L

A

A

A

M

E

E

P

P

R

K

Y

I

M

M

L

L

L

F

D
|
D

E

E

P

P

F

T

A

S

G

A

V

L

D

D

P

P

I

E

S

M

V

V

G

G

E

E

I

V

Q

L

R

S

I

V

V

M

R

K

H

Q

L

L

K

A

E

N

R

E

G

G

I

M

G

T

V

M

L

V

I

V

T

V

D

T

H

H

N

E

V

M

R

G

E

F

T

A

L

R

G

E

I

V

C

G

D

D

R

R

A

V

Y

L

I

F

L

M

N

D

D

G

G

G

E

Y

V

I

L

I

S

E

R

E

G

G

T

K

P

P

A

E

H

D

I

L

L

F

binding phosphoaminophosphonic acid-adenylate ester: F13 (= F11), V18 (= V16), P37 (= P35), S38 (≠ N36), G39 (= G37), S40 (≠ A38), G41 (= G39), K42 (= K40), S43 (≠ T41), T44 (= T42), R47 (≠ Y45), H133 (≠ D130), Y135 (≠ R132)
binding magnesium ion: S43 (≠ T41), D163 (= D160)

2olkA Abc protein artp in complex with adp-beta-s
32% identity, 93% coverage: 1:223/239 of query aligns to 3:226/242 of 2olkA

query
sites
2olkA

M

M

L

I

S

D

A

V

E

H

G

Q

L

L

Q

K

K

K

R

S

F
|
F

R

G

T

S

R
x
L

Q

E

V
|
V

V

L

R

K

D

G

F

I

A

N

F

V

S

H

I

I

R

R

E

E

G

G

E

E

V

V

G

V

L

V

L

I

G

G

P

P

N
x
S

G
|
G

A
x
S

G
|
G

K
|
K

T
x
S

T
|
T

C

F

F

L

Y

R

M

C

V

L

V

N

G

L

L

L

I

E

E

D

A

F

D

D

A

E

G

G

T

E

I

I

K

I

L

I

D

D

K

G

Y

I

D

N

I

L

T

K

G

A

L

K

P

D

M

T

H

N

-

L

A

N

R

K

A

V

K

R

L

E

G

E

I

V

G

G

Y

M

L

V

P

F

Q

Q

E

R

P

F

S

N

V

L

F

F

R

P

R

H

L

M

T

T

V

V

A

L

D

N

N

N

I

I

-

T

M

L

A

A

V

P

L

M

E

K

L

V

R

R

E

K

N

W

L

P

S

R

A

E

K

K

Q

A

R

E

A

A

G

K

E

A

L

M

E

E

S

-

L

L

D

D

E

K

L

V

K

G

I

L

A

K

H

D

I

K

A

A

D

H

Q

A

R

Y

G

P

I

D

S

S

L

L

S

S

G

G

E

Q

R

A

R

Q

R

R

V

V

E

A

I

I

A

A

R

R

A

A

L

L

A

A

A

M

E

E

P

P

R

K

Y

I

M

M

L

L

L

F

D

D

E

E

P

P

F

T

A

S

G

A

V

L

D

D

P

P

I

E

S

M

V

V

G

G

E

E

I

V

Q

L

R

S

I

V

V

M

R

K

H

Q

L

L

K

A

E

N

R

E

G

G

I

M

G

T

V

M

L

V

I

V

T

V

D

T

H

H

N

E

V

M

R

G

E

F

T

A

L

R

G

E

I

V

C

G

D

D

R

R

A

V

Y

L

I

F

L

M

N

D

D

G

G

G

E

Y

V

I

L

I

S

E

R

E

G

G

T

K

P

P

A

E

H

D

I

L

L

F

binding 5'-o-[(r)-hydroxy(thiophosphonooxy)phosphoryl]adenosine: F13 (= F11), L16 (≠ R14), V18 (= V16), S38 (≠ N36), G39 (= G37), S40 (≠ A38), G41 (= G39), K42 (= K40), S43 (≠ T41), T44 (= T42)

2oljA Abc protein artp in complex with adp/mg2+
32% identity, 93% coverage: 1:223/239 of query aligns to 3:226/242 of 2oljA

query
sites
2oljA

M

M

L

I

S

D

A

V

E

H

G

Q

L

L

Q

K

K

K

R

S

F
|
F

R

G

T

S

R

L

Q

E

V
|
V

V

L

R

K

D

G

F

I

A

N

F

V

S

H

I

I

R

R

E

E

G

G

E

E

V

V

G

V

L

V

L

I

G

G

P

P

N
x
S

G
|
G

A
x
S

G
|
G

K
|
K

T
x
S

T
|
T

C

F

F

L

Y

R

M

C

V

L

V

N

G

L

L

L

I

E

E

D

A

F

D

D

A

E

G

G

T

E

I

I

K

I

L

I

D

D

K

G

Y

I

D

N

I

L

T

K

G

A

L

K

P

D

M

T

H

N

-

L

A

N

R

K

A

V

K

R

L

E

G

E

I

V

G

G

Y

M

L

V

P

F

Q

Q

E

R

P

F

S

N

V

L

F

F

R

P

R

H

L

M

T

T

V

V

A

L

D

N

N

N

I

I

-

T

M

L

A

A

V

P

L

M

E

K

L

V

R

R

E

K

N

W

L

P

S

R

A

E

K

K

Q

A

R

E

A

A

G

K

E

A

L

M

E

E

S

-

L

L

D

D

E

K

L

V

K

G

I

L

A

K

H

D

I

K

A

A

D
x
H

Q

A

R
x
Y

G

P

I

D

S

S

L

L

S

S

G

G

E

Q

R

A

R
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