SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_101444435.1 NCBI__GCF_002846395.1:WP_101444435.1 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)

6mjpA Lptb(e163q)fgc from vibrio cholerae (see paper)
56% identity, 98% coverage: 2:239/243 of query aligns to 2:240/240 of 6mjpA

query
sites
6mjpA

I

I

L

L

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K

A

A

E

Q

H

H

L

L

Y

A

K

K

K

S

Y

Y

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K

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R

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K

V

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N

S

D

D

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V

S

S

V

L

E

Q

V

V

N

E

Q

S

G

G

E

Q

I

I

V

V

G

G

L

L

L

L

G

G

P

P

N

N

G

G

A

A

G

G

K

K

T

T

T

T

S

S

F

F

Y

Y

M

M

I

I

V

V

G

G

L

L

V

V

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A

P

R

N

D

E

E

G

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R

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Y

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K

D

E

N

D

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M

M

Y

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A

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R

R

M

G

G

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I

G

G

Y

Y

L

L

A

P

Q

Q

E

E

A

A

S

S

V

I

F

F

R

R

Q

K

L

L

T

S

V

V

E

E

E

D

N

N

I

I

L

M

A

A

P

V

L

L

E

Q

M

T

T

R

N

E

R

E

-

L

P

T

K

H

K
x
E

E

E

Q

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L

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E
x
D

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L

E

E

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D

L

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L

E

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E

F

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N

G

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D

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H

N

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L

binding calcium ion: E111 (≠ K110), D115 (≠ E114)

6mbnA Lptb e163q in complex with atp (see paper)
56% identity, 98% coverage: 3:239/243 of query aligns to 4:241/241 of 6mbnA

query
sites
6mbnA

L

L

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T

A

A

E

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H

N

L

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Y

A

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K

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Y
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Y

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R

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N

N

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S

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G

E

E

I

I

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G

G

L

L

L

L

G

G

P

P

N
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N

G
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G

A

A

G
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G

K
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K

T
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T

T
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T

S

T

F

F

Y

Y

M

M

I

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V

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G

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A

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Y

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F

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D

N

N

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A

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E

-

D

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E

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A

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N

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F

F

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F

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A

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G

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D

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N

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G

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D

H
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H

N

N

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V

N

R

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E

T

T

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A

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C

D

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L

binding adenosine-5'-triphosphate: Y13 (= Y12), R16 (= R15), V18 (= V17), N38 (= N37), G39 (= G38), G41 (= G40), K42 (= K41), T43 (= T42), T44 (= T43), H195 (= H193)

6s8nB Cryo-em structure of lptb2fgc in complex with lipopolysaccharide (see paper)
56% identity, 97% coverage: 3:237/243 of query aligns to 3:238/238 of 6s8nB

query
sites
6s8nB

L

L

R

T

A

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E

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N

L

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Y

A

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K

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Y

Y

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R

V

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V

N

E

D

D

V

V

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S

V

L

E

T

V

V

N

N

Q

S

G

G

E

E

I

I

V

V

G

G

L

L

L

L

G

G

P

P

N

N

G

G

A

A

G

G

K

K

T

T

T

T

S

T

F

F

Y

Y

M

M

I

V

V

V

G

G

L

I

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P

P

R

N

D

E

A

G

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D

E

D

D

D

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A

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A

A

K

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G

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I

G

G

Y

Y

L

L

A

P

Q

Q

E

E

A

A

S

S

V

I

F

F

R
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R

Q

R

L

L

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S

V

V

E

Y

E

D

N

N

I

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A

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M

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A

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Q

L

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E

E

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N

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x
M

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G

I
x
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G

E

E

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A

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A

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N

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F

F

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D

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F

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A

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N

G

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G

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L

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D

D

H

H

N

N

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N

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C

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H

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K

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L

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E

H

D

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F

binding 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione: R90 (= R90), M133 (≠ K132), G134 (= G133), Q135 (≠ I134)

6s8gA Cryo-em structure of lptb2fgc in complex with amp-pnp (see paper)
56% identity, 97% coverage: 3:237/243 of query aligns to 3:238/238 of 6s8gA

query
sites
6s8gA

L

L

R

T

A

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E

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N

L

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Y

A

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K

K

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Y
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Y

K

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S

G

R
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R

L

R

V

V

V

V

N

E

D

D

V

V

S

S

V

L

E

T

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V

N

N

Q

S

G

G

E

E

I

I

V

V

G

G

L

L

L

L

G

G

P

P

N
|
N

G

G

A

A

G
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G

K
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K

T
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T

T
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T

S

T

F

F

Y

Y

M

M

I

V

V

V

G

G

L

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A

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D

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D

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K

R

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R

G

G

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G

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Y

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Q

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E

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A

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I

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F

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R

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Y

E

D

N

N

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A

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M

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A

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Q

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E

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A

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N

E

E

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E

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F

F

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x
S

L

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S

G

G

G

G

E
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E

R

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T

V

E

E

I

I

A

A

R

R

A

A

L

L

A

A

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A

D

N

P

P

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K

F

F

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L

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L

D

D

E

E

P

P

F

F

A

A

G

G

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D

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E

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D

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Q

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R

I

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I

A

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K

H

L

L

K

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S

D

K

S

N

G

I

L

G

G

I

V

L

L

I

I

T

T

D

D

H

H

N

N

V

V

N

R

E

E

T

T

L

L

S

A

I

V

T

C

D

E

R

R

A

A

Y

Y

L

I

L

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F

S

E

Q

G

G

K

H

I

L

L

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A

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H

G

G

T

T

A

P

E

T

E

E

L

I

A

L

A

Q

D

D

E

E

Q

H

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V

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K

R

R

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V

Y

Y

L

L

G

G

K

E

H

D

F

F

binding phosphoaminophosphonic acid-adenylate ester: Y12 (= Y12), R15 (= R15), N37 (= N37), G40 (= G40), K41 (= K41), T42 (= T42), T43 (= T43), Q84 (= Q84), S136 (≠ V135), S138 (= S137), E141 (= E140)

6mhzA Vanadate trapped cryo-em structure of e.Coli lptb2fg transporter (see paper)
57% identity, 95% coverage: 3:234/243 of query aligns to 3:235/235 of 6mhzA

query
sites
6mhzA

L

L

R

T

A

A

E

K

H

N

L

L

Y

A

K

K

K

A

Y
|
Y

K

K

S

G

R

R

L

R

V

V

V

V

N

E

D

D

V

V

S

S

V

L

E

T

V

V

N

N

Q

S

G

G

E

E

I

I

V

V

G

G

L

L

L

L

G

G

P

P

N
|
N

G
|
G

A

A

G
|
G

K
|
K

T
|
T

T
|
T

S

T

F

F

Y

Y

M

M

I

V

V

V

G

G

L

I

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K

P

P

R

N

D

E

A

G

G

R

N

I

I

Y

I

L

I

D

D

K

D

E

D

D

D

I

I

T

S

D

L

L

L

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P

M

L

Y

H

Q

A

R

R

A

A

K

R

R

R

G

G

V

I

G

G

Y

Y

L

L

A

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Q
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Q

E

E

A

A

S

S

V

I

F

F

R

R

Q

R

L

L

T

S

V

V

E

Y

E

D

N

N

I

L

L

M

A

A

P

V

L

L

E

Q

M

I

T

R

N

D

R

D

P

L

K

S

K

A

E

E

Q

Q

L

R

E

E

-

D

K

R

V

A

E

N

E

E

L

L

L

M

E

E

E

E

F

F

S

H

L

I

T

E

H

H

V

L

R

R

K

D

N

S

K

M

G

G

I

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x
S

L

L

S
|
S

G
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G

G
|
G

E

E

R

R

R

R

R

R

T

V

E

E

I

I

A

A

R

R

A

A

L

L

A

A

V

A

D

N

P

P

K

K

F

F

V

I

L

L

L

L

D

D

E
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E

P

P

F

F

A

A

G
|
G

V

V

D

D

P

P

I

I

A

S

V

V

E

I

E

D

I

I

Q

K

S

R

I

I

V

I

A

E

K

H

L

L

K

R

S

D

K

S

N

G

I

L

G

G

I

V

L

L

I

I

T

T

D

D

H
|
H

N

N

V

V

N

R

E

E

T

T

L

L

S

A

I

V

T

C

D

E

R

R

A

A

Y

Y

L

I

L

V

F

S

E

Q

G

G

K

H

I

L

L

I

K

A

S

H

G

G

T

T

A

P

E

T

E

E

L

I

A

L

A

Q

D

D

E

E

Q

H

V

V

R

K

R

R

V

V

Y

Y

L

L

G

G

binding adp orthovanadate: Y12 (= Y12), N37 (= N37), G38 (= G38), G40 (= G40), K41 (= K41), T42 (= T42), T43 (= T43), Q84 (= Q84), S136 (≠ V135), S138 (= S137), G139 (= G138), G140 (= G139), E162 (= E161), G166 (= G165), H194 (= H193)

6b89A E. Coli lptb in complex with adp and novobiocin (see paper)
56% identity, 95% coverage: 3:233/243 of query aligns to 3:234/234 of 6b89A

query
sites
6b89A

L

L

R

T

A

A

E

K

H

N

L

L

Y

A

K

K

K

A

Y
|
Y

K

K

S

G

R
|
R

L

R

V
|
V

V

V

N

E

D

D

V

V

S

S

V

L

E

T

V

V

N

N

Q

S

G

G

E

E

I

I

V

V

G

G

L

L

L

L

G

G

P

P

N
|
N

G
|
G

A

A

G
|
G

K
|
K

T
|
T

T
|
T

S

T

F

F

Y

Y

M

M

I

V

V

V

G

G

L

I

V

V

K

P

P

R

N

D

E

A

G

G

R

N

I

I

Y

I

L

I

D

D

K

D

E

D

D

D

I

I

T

S

D

L

L

L

P

P

M
x
L

Y
x
H

Q

A

R

R

A

A

K

R

R

R

G

G

V

I

G

G

Y

Y

L

L

A
x
P

Q
|
Q

E

E

A
|
A

S
|
S

V

I

F
|
F

R
|
R

Q
x
R

L
|
L

T

S

V

V

E

Y

E

D

N

N

I

L

L

M

A

A

P
x
V

L

L

E

Q

M

I

T

R

N

D

R

D

P

L

K

S

K

A

E

E

Q

Q

L

R

E

E

-

D

K

R

V

A

E

N

E

E

L

L

L

M

E

E

E

E

F

F

S

H

L

I

T

E

H

H

V

L

R

R

K

D

N

S

K

M

G

G

I
x
Q

V

S

L

L

S

S

G

G

G

G

E

E

R

R

R

R

R

R

T

V

E

E

I

I

A

A

R
|
R

A

A

L

L

A

A

V

A

D

N

P

P

K

K

F

F

V

I

L

L

L

L

D

D

E

E

P

P

F

F

A

A

G

G

V

V

D

D

P

P

I

I

A

S

V

V

E

I

E

D

I

I

Q

K

S

R

I

I

V

I

A

E

K

H

L

L

K

R

S

D

K

S

N

G

I

L

G

G

I

V

L

L

I

I

T

T

D

D

H

H

N

N

V

V

N

R

E

E

T

T

L

L

S

A

I

V

T

C

D

E

R

R

A

A

Y

Y

L

I

L

V

F

S

E

Q

G

G

K

H

I

L

L

I

K

A

S

H

G

G

T

T

A

P

E

T

E

E

L

I

A

L

A

Q

D

D

E

E

Q

H

V

V

R

K

R

R

V

V

Y

Y

L

L

binding adenosine-5'-diphosphate: Y12 (= Y12), R15 (= R15), V17 (= V17), N37 (= N37), G38 (= G38), G40 (= G40), K41 (= K41), T42 (= T42), T43 (= T43)
binding magnesium ion: T42 (= T42), Q84 (= Q84)
binding novobiocin: L71 (≠ M71), H72 (≠ Y72), P83 (≠ A83), A86 (= A86), S87 (= S87), F89 (= F89), R90 (= R90), R91 (≠ Q91), L92 (= L92), V101 (≠ P101), Q135 (≠ I134), R149 (= R148)

4p31A Crystal structure of a selenomethionine derivative of e. Coli lptb in complex with adp-magensium (see paper)
56% identity, 95% coverage: 3:233/243 of query aligns to 3:234/234 of 4p31A

query
sites
4p31A

L

L

R

T

A

A

E

K

H

N

L

L

Y

A

K

K

K

A

Y
|
Y

K

K

S

G

R
|
R

L

R

V
|
V

V

V

N

E

D

D

V

V

S

S

V

L

E

T

V

V

N

N

Q

S

G

G

E

E

I

I

V

V

G

G

L

L

L

L

G

G

P

P

N

N

G
|
G

A

A

G
|
G

K
|
K

T
|
T

T
|
T

S

T

F

F

Y

Y

M

M

I

V

V

V

G

G

L

I

V

V

K

P

P

R

N

D

E

A

G

G

R

N

I

I

Y

I

L

I

D

D

K

D

E

D

D

D

I

I

T

S

D

L

L

L

P

P

M

L

Y

H

Q

A

R

R

A

A

K

R

R

R

G

G

V

I

G

G

Y

Y

L

L

A

P

Q
|
Q

E

E

A

A

S

S

V

I

F

F

R

R

Q

R

L

L

T

S

V

V

E

Y

E

D

N

N

I

L

L

M

A

A

P

V

L

L

E

Q

M

I

T

R

N

D

R

D

P

L

K

S

K

A

E

E

Q

Q

L

R

E

E

-

D

K

R

V

A

E

N

E

E

L

L

L

M

E

E

E

E

F

F

S

H

L

I

T

E

H

H

V

L

R

R

K

D

N

S

K

M

G

G

I

Q

V

S

L

L

S

S

G

G

G

G

E

E

R

R

R

R

R

R

T

V

E

E

I

I

A

A

R

R

A

A

L

L

A

A

V

A

D

N

P

P

K

K

F

F

V

I

L

L

L

L

D

D

E

E

P

P

F

F

A

A

G

G

V

V

D

D

P

P

I

I

A

S

V

V

E

I

E

D

I

I

Q

K

S

R

I

I

V

I

A

E

K

H

L

L

K

R

S

D

K

S

N

G

I

L

G

G

I

V

L

L

I

I

T

T

D

D

H

H

N

N

V

V

N

R

E

E

T

T

L

L

S

A

I

V

T

C

D

E

R

R

A

A

Y

Y

L

I

L

V

F

S

E

Q

G

G

K

H

I

L

L

I

K

A

S

H

G

G

T

T

A

P

E

T

E

E

L

I

A

L

A

Q

D

D

E

E

Q

H

V

V

R

K

R

R

V

V

Y

Y

L

L

binding adenosine-5'-diphosphate: Y12 (= Y12), R15 (= R15), V17 (= V17), G38 (= G38), G40 (= G40), K41 (= K41), T42 (= T42), T43 (= T43)
binding magnesium ion: T42 (= T42), Q84 (= Q84)

6b8bA E. Coli lptb in complex with adp and a novobiocin derivative (see paper)
56% identity, 95% coverage: 3:232/243 of query aligns to 3:233/233 of 6b8bA

query
sites
6b8bA

L

L

R

T

A

A

E

K

H

N

L

L

Y

A

K

K

K

A

Y
|
Y

K

K

S

G

R
|
R

L

R

V
|
V

V

V

N

E

D

D

V

V

S

S

V

L

E

T

V

V

N

N

Q

S

G

G

E

E

I

I

V

V

G

G

L

L

L

L

G

G

P

P

N

N

G
|
G

A

A

G
|
G

K
|
K

T
|
T

T
|
T

S

T

F

F

Y

Y

M

M

I

V

V

V

G

G

L

I

V

V

K

P

P

R

N

D

E

A

G

G

R

N

I

I

Y

I

L

I

D

D

K

D

E

D

D

D

I

I

T

S

D

L

L

L

P

P

M

L

Y

H

Q

A

R

R

A

A

K

R

R

R

G

G

V

I

G

G

Y

Y

L

L

A

P

Q

Q

E

E

A

A

S

S

V

I

F
|
F

R
|
R

Q
x
R

L

L

T

S

V

V

E

Y

E

D

N

N

I

L

L

M

A

A

P

V

L

L

E

Q

M

I

T

R

N

D

R

D

P

L

K

S

K

A

E

E

Q

Q

L

R

E

E

-

D

K

R

V

A

E

N

E

E

L

L

L

M

E

E

E

E

F

F

S

H

L

I

T

E

H

H

V

L

R

R

K

D

N

S

K

M

G

G

I

Q

V

S

L

L

S

S

G

G

G

G

E

E

R

R

R

R

R

R

T

V

E

E

I

I

A

A

R

R

A

A

L

L

A

A

V

A

D

N

P

P

K

K

F

F

V

I

L

L

L

L

D

D

E

E

P

P

F

F

A

A

G

G

V

V

D

D

P

P

I

I

A

S

V

V

E

I

E

D

I

I

Q

K

S

R

I

I

V

I

A

E

K

H

L

L

K

R

S

D

K

S

N

G

I

L

G

G

I

V

L

L

I

I

T

T

D

D

H

H

N

N

V

V

N

R

E

E

T

T

L

L

S

A

I

V

T

C

D

E

R

R

A

A

Y

Y

L

I

L

V

F

S

E

Q

G

G

K

H

I

L

L

I

K

A

S

H

G

G

T

T

A

P

E

T

E

E

L

I

A

L

A

Q

D

D

E

E

Q

H

V

V

R

K

R

R

V

V

Y

Y

binding adenosine-5'-diphosphate: Y12 (= Y12), R15 (= R15), V17 (= V17), G38 (= G38), G40 (= G40), K41 (= K41), T42 (= T42), T43 (= T43)
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 (= F89), R90 (= R90), R91 (≠ Q91)

1g6hA Crystal structure of the adp conformation of mj1267, an atp-binding cassette of an abc transporter (see paper)
34% identity, 96% coverage: 2:235/243 of query aligns to 4:254/254 of 1g6hA

query
sites
1g6hA

I

I

L

L

R

R

A

T

E

E

H

N

L

I

Y

V

K

K

K

Y

Y
x
F

K

G

S

E

R
x
F

L

K

V

A

V

L

N

D

D

G

V

V

S

S

V

I

E

S

V

V

N

N

Q

K

G

G

E

D

I

V

V

T

G

L

L

I

L

I

G

G

P

P

N
|
N

G
|
G

A

S

G
|
G

K
|
K

T
x
S

T
|
T

S

L

F

I

Y

N

M

V

I

I

V

T

G

G

L

F

V

L

K

K

P

A

N

D

E

E

G

G

R

R

I

V

Y

Y

L

F

D

E

K

N

E

K

D

D

I

I

T

T

D

N

L

K

P

E

M

P

Y

A

Q

E

R

L

A

Y

K

H

R

Y

G

G

V

I

G

V

Y

R

L

T

A

F

Q

Q

E

T

A

P

S

Q

V

P

F

L

R

K

Q

E

L

M

T

T

V

V

E

L

E

E

N

N

I

L

L

L

-

I

-

G

-

E

-

I

-

C

-

P

-

G

-

E

A

S

P

P

L

L

E

N

M

S

T

L

N

F

R

Y

-

K

-

K

-

W

-

I

P

P

K

K

K

E

E

E

Q

E

L

M

-

V

E

E

K

K

V

A

E

F

E

K

L

I

L

L

E

E

E

F

F

L

S

K

L

L

T

S

H

H

V

L

R

Y

K

D

N

R

K

K

G

A

I

G

V

E

L

L

S

S

G

G

G

G

E

Q

R

M

R

K

R

L

T

V

E

E

I

I

A

G

R

R

A

A

L

L

A

M

V

T

D

N

P

P

K

K

F

M

V

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

A

L

V

A

E

H

E

D

I

I

Q

F

S

N

I

H

V

V

A

L

K

E

L

L

K

K

S

A

K

K

N

G

I

I

G

T

I

F

L

L

I

I

T

I

D

E

H

H

N

R

V

L

N

D

E

I

T

V

L

L

S

N

I

Y

T

I

D

D

R

H

A

L

Y

Y

L

V

L

M

F

F

E

N

G

G

K

Q

I

I

L

I

K

A

S

E

G

G

T

R

A

G

E

E

E

E

-

E

-

I

-

K

-

N

L

V

A

L

A

S

D

D

E

P

Q

K

V

V

R

V

R

E

V

I

Y

Y

L

I

G

G

K

E

binding adenosine-5'-diphosphate: F14 (≠ Y12), F17 (≠ R15), N39 (= N37), G40 (= G38), G42 (= G40), K43 (= K41), S44 (≠ T42), T45 (= T43)

1g9xB Characterization of the twinning structure of mj1267, an atp-binding cassette of an abc transporter (see paper)
34% identity, 96% coverage: 2:234/243 of query aligns to 4:253/253 of 1g9xB

query
sites
1g9xB

I

I

L

L

R

R

A

T

E

E

H

N

L

I

Y

V

K

K

K

Y

Y
x
F

K

G

S

E

R
x
F

L

K

V

A

V

L

N

D

D

G

V

V

S

S

V

I

E

S

V

V

N

C

Q

K

G

G

E

D

I

V

V

T

G

L

L

I

L

I

G

G

P

P

N

N

G
|
G

A
x
S

G
|
G

K
|
K

T
x
S

T
|
T

S

L

F

I

Y

N

M

V

I

I

V

T

G

G

L

F

V

L

K

K

P

A

N

D

E

E

G

G

R

R

I

V

Y

Y

L

F

D

E

K

N

E

K

D

D

I

I

T

T

D

N

L

K

P

E

M

P

Y

A

Q

E

R

L

A

Y

K

H

R

Y

G

G

V

I

G

V

Y

R

L

T

A

F

Q

Q

E

T

A

P

S

Q

V

P

F

L

R

K

Q

E

L

M

T

T

V

V

E

L

E

E

N

N

I

L

L

L

-

I

-

G

-

E

-

I

-

N

-

P

-

G

-

E

A

S

P

P

L

L

E

N

M

S

T

L

N

F

R

Y

-

K

-

K

-

W

-

I

P

P

K

K

K

E

E

E

Q

E

L

M

-

V

E

E

K

K

V

A

E

F

E

K

L

I

L

L

E

E

E

F

F

L

S

K

L

L

T

S

H

H

V

L

R

Y

K

D

N

R

K

K

G

A

I

G

V

E

L

L

S

S

G

G

G

G

E

Q

R

M

R

K

R

L

T

V

E

E

I

I

A

G

R

R

A

A

L

L

A

M

V

T

D

N

P

P

K

K

F

M

V

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

A

L

V

A

E

H

E

D

I

I

Q

F

S

N

I

H

V

V

A

L

K

E

L

L

K

K

S

A

K

K

N

G

I

I

G

T

I

F

L

L

I

I

T

I

D

E

H

H

N

R

V

L

N

D

E

I

T

V

L

L

S

N

I

Y

T

I

D

D

R

H

A

L

Y

Y

L

V

L

M

F

F

E

N

G

G

K

Q

I

I

L

I

K

A

S

E

G

G

T

R

A

G

E

E

E

E

-

E

-

I

-

K

-

N

L

V

A

L

A

S

D

D

E

P

Q

K

V

V

R

V

R

E

V

I

Y

Y

L

I

G

G

binding adenosine-5'-diphosphate: F14 (≠ Y12), F17 (≠ R15), G40 (= G38), S41 (≠ A39), G42 (= G40), K43 (= K41), S44 (≠ T42), T45 (= T43)
binding magnesium ion: S44 (≠ T42), E176 (= E161)

1ji0A Crystal structure analysis of the abc transporter from thermotoga maritima
34% identity, 96% coverage: 1:234/243 of query aligns to 5:238/240 of 1ji0A

query
sites
1ji0A

M

I

I

V

L

L

R

E

A

V

E

Q

H

S

L

L

Y

H

K

V

K

Y

Y
|
Y

K

G

S

A

R

I

L

H

V

A

V

I

N

K

D

G

V

I

S

D

V

L

E

K

V

V

N

P

Q

R

G

G

E

Q

I

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

T
|
T

S

T

F

L

Y

S

M

A

I

I

V

A

G

G

L

L

V

V

K

R

P

A

N

Q

E

K

G

G

R

K

I

I

Y

I

L

F

D

N

K

G

E

Q

D

D

I

I

T

T

D

N

L

K

P

P

M

A

Y

H

Q

V

R

I

A

N

K

R

R

M

G

G

V

I

G

A

Y

L

L

V

A

P

Q
x
E

E

G

A

R

S

R

V

I

F

F

R

P

Q

E

L

L

T

T

V

V

E

Y

E

E

N

N

I

L

L

M

A

-

P

-

L

M

E

G

M

A

T

Y

N

N

R

R

P

K

K

D

K

K

E

E

Q

G

L

I

E

K

K

R

-

D

V

L

E

E

E

W

L

I

L

F

E

S

E

L

F

F

S

P

L

R

T

L

H

K

V

E

R

R

-

L

K

K

N

Q

K

L

G

G

I

G

V

T

L

L

S

S

G

G

G

G

E

E

R

Q

R

Q

R

M

T

L

E

A

I

I

A

G

R

R

A

A

L

L

A

M

V

S

D

R

P

P

K

K

F

L

V

L

L

M

L

M

D

D

E
|
E

P

P

F

S

A

L

G

G

V

L

D

A

P

P

I

I

A

L

V

V

E

S

E

E

I

V

Q

F

S

E

I

V

V

I

A

Q

K

K

L

I

K

N

S

Q

K

E

N

G

I

T

G

T

I

I

L

L

I

L

T

V

D

E

H

Q

N

N

V

A

N

L

E

G

T

A

L

L

S

K

I

V

T

A

D

H

R

Y

A

G

Y

Y

L

V

L

L

F

E

E

T

G

G

K

Q

I

I

L

V

K

L

S

E

G

G

T

K

A

A

E

S

E

E

L

L

A

L

A

D

D

N

E

E

Q

M

V

V

R

R

R

K

V

A

Y

Y

L

L

G

G

binding adenosine-5'-triphosphate: Y16 (= Y12), G42 (= G38), G44 (= G40), K45 (= K41), T46 (= T42), T47 (= T43), E88 (≠ Q84), E165 (= E161)

7d0aB Acinetobacter mlafedb complex in adp-vanadate trapped vclose conformation (see paper)
35% identity, 86% coverage: 15:224/243 of query aligns to 17:230/263 of 7d0aB

query
sites
7d0aB

R

R

L

V

V

I

V

Y

N

D

D

N

V

I

S

S

V

L

E

N

V

I

N

R

Q

R

G

G

E

Q

I

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

T

T

S

L

F

L

Y

R

M

L

I

I

V

G

G

G

L

Q

V

L

K

V

P

P

N

D

E

Q

G

G

R

E

I

V

Y

L

L

L

D

D

K

G

E

K

D

D

I

I

T

A

D

Q

L

M

P

S

M

R

Y

Q

Q

E

-

L

-

F

R

A

A

A

K

R

R

A

G

R

V

M

G

G

Y

M

L

L

A

F

Q

Q

E

S

A

G

S

A

V

L

F

F

R

T

Q

D

L

M

T

S

V

V

E

Y

E

E

N

N

I

V

L

A

A

F

P

P

L

I

E

R

M

A

T

H

N

T

R

K

P

L

K

S

K

E

E

N

Q

L

L

I

E

A

K

E

V

L

E

V

E

A

L

L

-

K

L

L

E

E

E

S

F

V

S

G

L

L

T

R

H

G

V

T

R

E

K

Q

N

L

K

M

G

P

I

T

V
x
E

L

L

S
|
S

G

G

G

G

E
x
M

R

N

R

R

R

R

T

V

E

A

I

L

A

A

R

R

A

A

L

I

A

A

V

L

D

D

P

P

K

D

F

L

V

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

A

V

V

K

E

G

E

V

I

L

Q

T

S

R

I

L

V

I

A

R

K

S

L

L

K

R

-

E

S

A

K

L

N

D

I

L

G

T

I

T

L

I

I

I

T

V

D

S

H

H

N

D

V

V

N

P

E

E

T

T

L

L

S

S

I

I

T

A

D

D

R

Y

A

I

Y

Y

L

V

L

V

F

A

E

E

G

G

K

K

I

I

L

Q

K

G

S

E

G

G

T

T

A

P

E

E

E

E

L

L

A

Q

A

A

binding adenosine-5'-diphosphate: S39 (≠ N37), T41 (≠ A39), G42 (= G40), K43 (= K41), E140 (≠ V135), S142 (= S137), M145 (≠ E140)

7d08B Acinetobacter mlafedb complex in atp-bound vtrans1 conformation (see paper)
35% identity, 86% coverage: 15:224/243 of query aligns to 17:230/263 of 7d08B

query
sites
7d08B

R
|
R

L

V

V

I

V

Y

N

D

D

N

V

I

S

S

V

L

E

N

V

I

N

R

Q

R

G

G

E

Q

I

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

T
|
T

S

L

F

L

Y

R

M

L

I

I

V

G

G

G

L

Q

V

L

K

V

P

P

N

D

E

Q

G

G

R

E

I

V

Y

L

L

L

D

D

K

G

E

K

D

D

I

I

T

A

D

Q

L

M

P

S

M

R

Y

Q

Q

E

-

L

-

F

R

A

A

A

K

R

R

A

G

R

V

M

G

G

Y

M

L

L

A

F

Q

Q

E

S

A

G

S

A

V

L

F

F

R

T

Q

D

L

M

T

S

V

V

E

Y

E

E

N

N

I

V

L

A

A

F

P

P

L

I

E

R

M

A

T

H

N

T

R

K

P

L

K

S

K

E

E

N

Q

L

L

I

E

A

K

E

V

L

E

V

E

A

L

L

-

K

L

L

E

E

E

S

F

V

S

G

L

L

T

R

H

G

V

T

R

E

K

Q

N

L

K

M

G

P

I

T

V

E

L

L

S

S

G

G

G

G

E

M

R

N

R

R

R

R

T

V

E

A

I

L

A

A

R

R

A

A

L

I

A

A

V

L

D

D

P

P

K

D

F

L

V

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

A

V

V

K

E

G

E

V

I

L

Q

T

S

R

I

L

V

I

A

R

K

S

L

L

K

R

-

E

S

A

K

L

N

D

I

L

G

T

I

T

L

I

I

I

T

V

D

S

H

H

N

D

V

V

N

P

E

E

T

T

L

L

S

S

I

I

T

A

D

D

R

Y

A

I

Y

Y

L

V

L

V

F

A

E

E

G

G

K

K

I

I

L

Q

K

G

S

E

G

G

T

T

A

P

E

E

E

E

L

L

A

Q

A

A

binding adenosine-5'-triphosphate: R17 (= R15), G40 (= G38), T41 (≠ A39), K43 (= K41), T44 (= T42), T45 (= T43), 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, 86% coverage: 15:224/243 of query aligns to 15:228/253 of 6z5uK

query
sites
6z5uK

R

R

L

V

V

I

V

Y

N

D

D

N

V

I

S

S

V

L

E

N

V

I

N

R

Q

R

G

G

E

Q

I

I

V

T

G

A

L

I

L

M

G

G

P

P

N
x
S

G
|
G

A

T

G
|
G

K
|
K

T
|
T

T
|
T

S

L

F

L

Y

R

M

L

I

I

V

G

G

G

L

Q

V

L

K

V

P

P

N

D

E

Q

G

G

R

E

I

V

Y

L

L

L

D

D

K

G

E

K

D

D

I

I

T

A

D

Q

L

M

P

S

M

R

Y

Q

Q

E

-

L

-

F

R

A

A

A

K

R

R

A

G

R

V

M

G

G

Y

M

L

L

A

F

Q
|
Q

E

S

A

G

S

A

V

L

F

F

R

T

Q

D

L

M

T

S

V

V

E

Y

E

E

N

N

I

V

L

A

A

F

P

P

L

I

E

R

M

A

T

H

N

T

R

K

P

L

K

S

K

E

E

N

Q

L

L

I

E

A

K

E

V

L

E

V

E

A

L

L

-

K

L

L

E

E

E

S

F

V

S

G

L

L

T

R

H

G

V

T

R

E

K

Q

N

L

K

M

G

P

I

T

V

E

L

L

S

S

G

G

G

G

E

M

R

N

R

R

R

R

T

V

E

A

I

L

A

A

R

R

A

A

L

I

A

A

V

L

D

D

P

P

K

D

F

L

V

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

A

V

V

K

E

G

E

V

I

L

Q

T

S

R

I

L

V

I

A

R

K

S

L

L

K

R

-

E

S

A

K

L

N

D

I

L

G

T

I

T

L

I

I

I

T

V

D

S

H
|
H

N

D

V

V

N

P

E

E

T

T

L

L

S

S

I

I

T

A

D

D

R

Y

A

I

Y

Y

L

V

L

V

F

A

E

E

G

G

K

K

I

I

L

Q

K

G

S

E

G

G

T

T

A

P

E

E

E

E

L

L

A

Q

A

A

binding phosphoaminophosphonic acid-adenylate ester: S37 (≠ N37), G38 (= G38), G40 (= G40), K41 (= K41), T42 (= T42), T43 (= T43), Q86 (= Q84), E164 (= E161), H197 (= H193)
binding magnesium ion: Q86 (= Q84), E164 (= E161)

Sites not aligning to the query:

binding phosphoaminophosphonic acid-adenylate ester: 12

7ahhC Opua inhibited inward-facing, sbd docked (see paper)
33% identity, 89% coverage: 7:222/243 of query aligns to 31:250/382 of 7ahhC

query
sites
7ahhC

H

E

L

I

Y

L

K

K

K

K

Y

T

K

G

S

A

R
x
T

L
x
V

V
x
G

V

V

N

Y

D

D

V

T

S

N

V

F

E

E

V

I

N

N

Q

E

G

G

E

E

I

I

V

F

G

V

L

I

L

M

G

G

P

L

N

S

G
|
G

A

S

G
|
G

K
|
K

T

S

T

T

S

L

F

L

Y

R

M

L

I

L

V

N

G

R

L

L

V

I

K

E

P

P

N

T

E

S

G

G

R

K

I

I

Y

F

L

I

D

D

K

N

E

Q

D

D

I

V

T

A

D

T

L

L

-

N

-

K

-

E

P

D

M

L

Y

L

Q

Q

R

V

A

R

K

R

R

K

G

T

V

M

G

S

Y

M

L

V

A

F

Q

Q

E

N

A

F

S

G

V

L

F

F

R

P

Q

H

L

R

T

T

V

I

E

L

E

E

N

N

I

T

L

E

A

Y

P

G

L

L

E

E

M

V

T

Q

N

N

R

V

P

P

K

K

K

E

E

E

Q

R

L

R

E

K

K

R

V

A

E

E

E

K

L

A

L

L

E

D

E

N

F

A

S

N

L

L

T

L

H

D

V

F

R

K

K

D

N

Q

K

Y

G

P

I

K

V

Q

L

L

S

S

G

G

G

G

E

M

R

Q

R

Q

R

R

T

V

E

G

I

L

A

A

R

R

A

A

L

L

A

A

V

N

D

D

P

P

K

E

F

I

V

L

L

L

L

M

D
|
D

E
|
E

P

A

F

F

A

S

G

A

V

L

D

D

P

P

I

L

A

I

V

R

E

R

E

E

I

M

Q

Q

S

D

I

E

V

L

A

L

K

E

L

L

K

Q

S

A

K

K

-

F

N

Q

I

K

G

T

I

I

L

I

I

F

T

V

D

S

H

H

N

D

V

L

N

N

E

E

T

A

L

L

S

R

I

I

T

G

D

D

R

R

A

I

Y

A

L

I

L

M

F

K

E

D

G

G

K

K

I

I

L

M

K

Q

S

I

G

G

T

T

A

G

E

E

E

E

L

I

binding phosphoaminophosphonic acid-adenylate ester: T39 (≠ R15), V40 (≠ L16), G41 (≠ V17), G62 (= G38), G64 (= G40), K65 (= K41), D187 (= D160), E188 (= E161)

Sites not aligning to the query:

7aheC Opua inhibited inward facing (see paper)
33% identity, 89% coverage: 7:222/243 of query aligns to 31:250/382 of 7aheC

query
sites
7aheC

H

E

L

I

Y

L

K

K

K

K

Y

T

K

G

S

A

R

T

L

V

V

G

V

V

N

Y

D

D

V

T

S

N

V

F

E

E

V

I

N

N

Q

E

G

G

E

E

I

I

V

F

G

V

L

I

L

M

G

G

P

L

N

S

G

G

A

S

G

G

K

K

T

S

T

T

S

L

F

L

Y

R

M

L

I

L

V

N

G

R

L

L

V

I

K

E

P

P

N

T

E

S

G

G

R

K

I

I

Y

F

L

I

D

D

K

N

E

Q

D

D

I

V

T

A

D

T

L

L

-

N

-

K

-

E

P

D

M

L

Y

L

Q

Q

R

V

A

R

K

R

R

K

G

T

V

M

G

S

Y

M

L

V

A

F

Q

Q

E

N

A

F

S

G

V

L

F

F

R

P

Q

H

L

R

T

T

V

I

E

L

E

E

N

N

I

T

L

E

A

Y

P

G

L

L

E

E

M

V

T

Q

N

N

R

V

P

P

K

K

K

E

E

E

Q

R

L

R

E

K

K

R

V

A

E

E

E

K

L

A

L

L

E

D

E

N

F

A

S

N

L

L

T

L

H

D

V

F

R

K

K

D

N

Q

K

Y

G

P

I

K

V

Q

L

L

S

S

G

G

G

G

E

M

R

Q

R

Q

R

R

T

V

E

G

I

L

A

A

R

R

A

A

L

L

A

A

V

N

D

D

P

P

K

E

F

I

V

L

L

L

L

M

D

D

E

E

P

A

F

F

A

S

G

A

V

L

D

D

P

P

I

L

A

I

V

R

E

R

E

E

I

M

Q

Q

S

D

I

E

V

L

A

L

K

E

L

L

K

Q

S

A

K

K

-

F

N

Q

I

K

G

T

I

I

L

I

I

F

T

V

D

S

H

H

N

D

V

L

N

N

E

E

T

A

L

L

S

R

I

I

T

G

D

D

R

R

A

I

Y

A

L

I

L

M

F

K

E

D

G

G

K

K

I

I

L

M

K

Q

S

I

G

G

T

T

A

G

E

E

E

E

L

I

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: 275, 297, 298

7ahdC Opua (e190q) occluded (see paper)
32% identity, 90% coverage: 8:225/243 of query aligns to 32:253/260 of 7ahdC

query
sites
7ahdC

L

I

Y

L

K

K

K

K

Y

T

K

G

S

A

R
x
T

L

V

V

G

V

V

N

Y

D

D

V

T

S

N

V

F

E

E

V

I

N

N

Q

E

G

G

E

E

I

I

V

F

G

V

L

I

L

M

G

G

P

L

N
x
S

G
|
G

A

S

G
|
G

K
|
K

T
x
S

T
|
T

S

L

F

L

Y

R

M

L

I

L

V

N

G

R

L

L

V

I

K

E

P

P

N

T

E

S

G

G

R

K

I

I

Y

F

L

I

D

D

K

N

E

Q

D

D

I

V

T

A

D

T

L

L

-

N

-

K

-

E

P

D

M

L

Y

L

Q

Q

R

V

A

R

K

R

R

K

G

T

V

M

G

S

Y

M

L

V

A

F

Q
|
Q

E

N

A

F

S

G

V

L

F

F

R

P

Q

H

L

R

T

T

V

I

E

L

E

E

N

N

I

T

L

E

A

Y

P

G

L

L

E

E

M

V

T

Q

N

N

R

V

P

P

K

K

K

E

E

E

Q

R

L

R

E

K

K

R

V

A

E

E

E

K

L

A

L

L

E

D

E

N

F

A

S

N

L

L

T

L

H

D

V

F

R

K

K

D

N

Q

K

Y

G

P

I
x
K

V
x
Q

L

L

S
|
S

G

G

G
|
G

E
x
M

R

Q

R

Q

R

R

T

V

E

G

I

L

A

A

R

R

A

A

L

L

A

A

V

N

D

D

P

P

K

E

F

I

V

L

L

L

L

M

D

D

E
x
Q

P

A

F

F

A

S

G

A

V

L

D

D

P

P

I

L

A

I

V

R

E

R

E

E

I

M

Q

Q

S

D

I

E

V

L

A

L

K

E

L

L

K

Q

S

A

K

K

-

F

N

Q

I

K

G

T

I

I

L

I

I

F

T

V

D

S

H
|
H

N

D

V

L

N

N

E

E

T

A

L

L

S

R

I

I

T

G

D

D

R

R

A

I

Y

A

L

I

L

M

F

K

E

D

G

G

K

K

I

I

L

M

K

Q

S

I

G

G

T

T

A

G

E

E

E

E

L

I

A

L

A

T

D

N

binding adenosine-5'-triphosphate: T39 (≠ R15), S61 (≠ N37), G62 (= G38), G64 (= G40), K65 (= K41), S66 (≠ T42), T67 (= T43), Q111 (= Q84), K161 (≠ I134), Q162 (≠ V135), S164 (= S137), G166 (= G139), M167 (≠ E140), Q188 (≠ E161), H221 (= H193)

Sites not aligning to the query:

binding adenosine-5'-triphosphate: 12

4ymuJ Crystal structure of an amino acid abc transporter complex with arginines and atps (see paper)
33% identity, 91% coverage: 8:229/243 of query aligns to 7:233/240 of 4ymuJ

query
sites
4ymuJ

L

V

Y

Y

K

K

K

N

Y
x
F

K

G

S

S

R

L

L

E

V
|
V

V

L

N

K

D

G

V

V

S

T

V

L

E

K

V

V

N

N

Q

K

G

G

E

E

I

V

V

V

G

V

L

I

L

I

G

G

P

P

N
x
S

G
|
G

A
x
S

G
|
G

K
|
K

T
x
S

T
|
T

S

L

F

L

Y

R

M

C

I

I

V

N

G

L

L

L

V

E

K

E

P

P

N

T

E

K

G

G

R

E

I

V

Y

F

L

I

D

D

K

G

E

V

D

K

I

I

T

N

D

N

L

G

P

K

M

V

-

N

Y

I

Q

N

R

K

A

V

K

R

R

Q

G

K

V

V

G

G

Y

M

L

V

A

F

Q

Q

E

H

A

F

S

N

V

L

F

F

R

P

Q

H

L

L

T

T

V

A

E

I

E

E

N

N

I

I

-

T

L

L

A

A

P

P

L

V

E

K

M

V

T

K

N

K

R

M

P

N

K

K

K

K

E

E

Q

A

L

E

E

E

K

L

V

A

E

V

E

D

L

L

L

L

E

A

E

K

F

V

S

G

L

L

T

L

H

D

V

K

R

K

K

D

N

Q

K

Y

G

P

I

I

V

K

L

L

S

S

G

G

G

G

E

Q

R

K

R

Q

R

R

T

L

E

A

I

I

A

A

R

R

A

A

L

L

A

A

V

M

D

Q

P

P

K

E

F

V

V

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

A

M

V

V

E

K

E

E

I

V

Q

L

S

N

I

V

V

M

A

K

K

Q

L

L

K

A

S

N

K

E

N

G

I

M

G

T

I

M

L

V

I

V

T

V

D

T

H
|
H

N

E

V

M

N

G

E

F

T

A

L

R

S

E

I

V

T

G

D

D

R

R

A

V

Y

I

L

F

L

M

F

D

E

D

G

G

K

V

I

I

L

V

K

E

S

E

G

G

T

T

A

P

E

E

E

E

L

I

-

F

-

Y

-

R

A

A

A

K

D

N

E

E

Q

R

V

T

R

R

binding adenosine-5'-triphosphate: F11 (≠ Y12), V16 (= V17), S36 (≠ N37), G37 (= G38), S38 (≠ A39), G39 (= G40), K40 (= K41), S41 (≠ T42), T42 (= T43), E162 (= E161), H194 (= H193)
binding magnesium ion: S41 (≠ T42), E162 (= E161)

3d31A Modbc from methanosarcina acetivorans (see paper)
33% identity, 91% coverage: 2:222/243 of query aligns to 1:215/348 of 3d31A

query
sites
3d31A

I

M

L

I

R

E

A

I

E

E

H

S

L

L

Y

S

K

R

K

K

Y

W

K

K

S

N

R

-

L

F

V

S

V

L

N

D

D

N

V

L

S

S

V

L

E

K

V

V

N

E

Q

S

G

G

E

E

I

Y

V

F

G

V

L

I

L

L

G

G

P

P

N

T

G

G

A

A

G

G

K

K

T

T

T

L

S

F

F

L

Y

E

M

L

I

I

V

A

G

G

L

F

V

H

K

V

P

P

N

D

E

S

G

G

R

R

I

I

Y

L

L

L

D

D

K

G

E

K

D

D

I

V

T

T

D

D

L

L

P

-

M

-

Y

-

Q

S

R

P

A

E

K

K

R

H

G

D

V

I

G

A

Y

F

L

V

A

Y

Q

Q

E

N

A

Y

S

S

V

L

F

F

R

P

Q

H

L

M

T

N

V

V

E

K

E

K

N

N

I

-

L

-

A

-

P

-

L

L

E

E

M

F

T

G

N

M

R

R

P

M

K

K

K

K

-

I

E

K

Q

D

L

P

E

K

K

R

V

V

E

L

E

D

L

T

L

A

E

R

E

D

F

L

S

K

L

I

T

E

H

H

V

L

R

L

K

D

N

R

K

N

G

P

I

L

V

T

L

L

S

S

G

G

G

G

E

E

R

Q

R

Q

R

R

T

V

E

A

I

L

A

A

R

R

A

A

L

L

A

V

V

T

D

N

P

P

K

K

F

I

V

L

L

L

L

L

D

D

E

E

P

P

F

L

A

S

G

A

V

L

D

D

P

P

I

R

A

T

V

Q

E

E

E

N

I

A

Q

R

S

E

I

M

V

L

A

S

K

V

L

L

K

H

S

K

K

K

N

N

-

K

I

L

G

T

I

V

L

L

I

H

T

I

D

T

H

H

N

D

V

Q

N

T

E

E

T

A

L

R

S

I

I

M

T

A

D

D

R

R

A

I

Y

A

L

V

L

V

F

M

E

D

G

G

K

K

I

L

L

I

K

Q

S

V

G

G

T

K

A

P

E

E

E

E

L

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
36% identity, 91% coverage: 2:222/243 of query aligns to 4:223/285 of 4yerA

query
sites
4yerA

I

I

L

I

R

V

A

V

E

E

H

N

L

L

Y

V

K

K

K

K

Y
x
F

K

G

S

D

R
x
F

L

E

V

A

V

V

N

K

D

G

V

V

S

S

V

F

E

S

V

V

N

K

Q

K

G

G

E

E

I

I

V

F

G

A

L

F

L

L

G

G

P

P

N
|
N

G
|
G

A

A

G
|
G

K
|
K