SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_084005655.1 NCBI__GCF_001746755.1:WP_084005655.1 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)
63% identity, 90% coverage: 27:263/263 of query aligns to 3:240/240 of 6mjpA

query
sites
6mjpA

L

L

V

K

A

A

Q

Q

T

H

L

L

G

A

K

K

R

S

Y

Y

K

K

K

K

R

R

P

K

V

V

V

V

S

S

D

D

V

V

S

S

M

L

I

Q

I

V

Q

E

R

S

G

G

E

Q

A

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

C

S

F

F

Y

Y

M

M

I

I

T

V

G

G

L

L

V

V

Q

A

P

R

D

D

Y

E

G

G

R

T

I

I

V

T

L

I

D

D

G

D

D

N

D

D

I

I

T

S

G

I

L

L

P

P

M

M

Y

H

R

S

R

R

A

S

R

R

L

M

G

G

I

I

G

G

Y

Y

L

L

P

P

Q

Q

E

E

A

A

S

S

I

I

F

F

R

R

G

K

L

L

S

S

V

V

E

E

E

D

N

N

I

I

R

M

A

A

V

V

L

L

E

Q

V

T

V

R

E

E

P

E

D

L

R

T

H

H

V
x
E

-

E

R

R

E

Q

A
x
D

S

K

L

L

D

E

S

D

L

L

L

L

A

E

E

E

F

F

S

H

I

I

T

Q

H

H

L

I

R

R

R

K

T

S

P

A

A

G

L

M

A

A

L

L

S

S

G

G

G

G

E

E

R

R

R

R

R

R

V

V

E

E

I

I

A

A

R

R

C

A

L

L

A

A

S

A

N

N

P

P

H

Q

F

F

V

I

L

L

L

L

D

D

E

Q

P

P

F

F

A

A

G

G

I

V

D

D

P

P

I

I

A

S

V

V

G

I

D

D

I

I

R

K

D

K

L

I

V

I

G

E

H

H

L

L

K

R

N

D

R

R

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

D

D

V

V

I

C

D

E

R

K

A

A

Y

Y

I

I

I

V

H

S

N

Q

G

G

M

R

M

L

L

I

M

A

E

E

G

G

T

T

P

P

A

Q

A

D

I

V

V

L

G

N

N

N

E

E

D

Q

V

V

R

K

R

Q

V

V

Y

Y

L

L

G

G

E

E

R

Q

F

F

S

R

L

L

binding calcium ion: E111 (≠ V135), D115 (≠ A138)

6mbnA Lptb e163q in complex with atp (see paper)
59% identity, 90% coverage: 27:263/263 of query aligns to 4:241/241 of 6mbnA

query
sites
6mbnA

L

L

V

T

A

A

Q

K

T

N

L

L

G

A

K

K

R

A

Y
|
Y

K

K

K

G

R
|
R

P

R

V
|
V

V

V

S

E

D

D

V

V

S

S

M

L

I

T

I

V

Q

N

R

S

G

G

E

E

A

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

C

T

F

F

Y

Y

M

M

I

V

T

V

G

G

L

I

V

V

Q

P

P

R

D

D

Y

A

G

G

R

N

I

I

V

I

L

I

D

D

G

D

D

D

D

D

I

I

T

S

G

L

L

L

P

P

M

L

Y

H

R

A

R

R

A

A

R

R

L

R

G

G

I

I

G

G

Y

Y

L

L

P

P

Q

Q

E

E

A

A

S

S

I

I

F

F

R

R

G

R

L

L

S

S

V

V

E

Y

E

D

N

N

I

L

R

M

A

A

V

V

L

L

E

Q

V

I

V

R

E

D

P

D

-

L

D

S

R

A

H

E

V

Q

R

R

E

E

A

D

S

R

L

A

D

N

S

E

L

L

L

M

A

E

E

E

F

F

S

H

I

I

T

E

H

H

L

L

R

R

R

D

T

S

P

M

A

G

L

Q

A

S

L

L

S

S

G

G

G

G

E

E

R

R

R

R

R

R

V

V

E

E

I

I

A

A

R

R

C

A

L

L

A

A

S

A

N

N

P

P

H

K

F

F

V

I

L

L

L

L

D

D

E

Q

P

P

F

F

A

A

G

G

I

V

D

D

P

P

I

I

A

S

V

V

G

I

D

D

I

I

R

K

D

R

L

I

V

I

G

E

H

H

L

L

K

R

N

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

D

A

V

V

I

C

D

E

R

R

A

A

Y

Y

I

I

I

V

H

S

N

Q

G

G

M

H

M

L

L

I

M

A

E

H

G

G

T

T

P

P

A

T

A

E

I

I

V

L

G

Q

N

D

E

E

D

H

V

V

R

K

R

R

V

V

Y

Y

L

L

G

G

E

E

R

D

F

F

S

R

L

L

binding adenosine-5'-triphosphate: Y13 (= Y36), R16 (= R39), V18 (= V41), N38 (= N61), G39 (= G62), G41 (= G64), K42 (= K65), T43 (= T66), T44 (= T67), H195 (= H217)

6s8nB Cryo-em structure of lptb2fgc in complex with lipopolysaccharide (see paper)
59% identity, 89% coverage: 27:261/263 of query aligns to 3:238/238 of 6s8nB

query
sites
6s8nB

L

L

V

T

A

A

Q

K

T

N

L

L

G

A

K

K

R

A

Y

Y

K

K

K

G

R

R

P

R

V

V

V

V

S

E

D

D

V

V

S

S

M

L

I

T

I

V

Q

N

R

S

G

G

E

E

A

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

C

T

F

F

Y

Y

M

M

I

V

T

V

G

G

L

I

V

V

Q

P

P

R

D

D

Y

A

G

G

R

N

I

I

V

I

L

I

D

D

G

D

D

D

D

D

I

I

T

S

G

L

L

L

P

P

M

L

Y

H

R

A

R

R

A

A

R

R

L

R

G

G

I

I

G

G

Y

Y

L

L

P

P

Q

Q

E

E

A

A

S

S

I

I

F

F

R
|
R

G

R

L

L

S

S

V

V

E

Y

E

D

N

N

I

L

R

M

A

A

V

V

L

L

E

Q

V

I

V

R

E

D

P

D

-

L

D

S

R

A

H

E

V

Q

R

R

E

E

A

D

S

R

L

A

D

N

S

E

L

L

L

M

A

E

E

E

F

F

S

H

I

I

T

E

H

H

L

L

R

R

R

D

T

S

P
x
M

A
x
G

L
x
Q

A

S

L

L

S

S

G

G

G

G

E

E

R

R

R

R

R

R

V

V

E

E

I

I

A

A

R

R

C

A

L

L

A

A

S

A

N

N

P

P

H

K

F

F

V

I

L

L

L

L

D

D

E

E

P

P

F

F

A

A

G

G

I

V

D

D

P

P

I

I

A

S

V

V

G

I

D

D

I

I

R

K

D

R

L

I

V

I

G

E

H

H

L

L

K

R

N

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

D

A

V

V

I

C

D

E

R

R

A

A

Y

Y

I

I

I

V

H

S

N

Q

G

G

M

H

M

L

L

I

M

A

E

H

G

G

T

T

P

P

A

T

A

E

I

I

V

L

G

Q

N

D

E

E

D

H

V

V

R

K

R

R

V

V

Y

Y

L

L

G

G

E

E

R

D

F

F

binding 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione: R90 (= R114), M133 (≠ P156), G134 (≠ A157), Q135 (≠ L158)

6s8gA Cryo-em structure of lptb2fgc in complex with amp-pnp (see paper)
59% identity, 89% coverage: 27:261/263 of query aligns to 3:238/238 of 6s8gA

query
sites
6s8gA

L

L

V

T

A

A

Q

K

T

N

L

L

G

A

K

K

R

A

Y
|
Y

K

K

K

G

R
|
R

P

R

V

V

V

V

S

E

D

D

V

V

S

S

M

L

I

T

I

V

Q

N

R

S

G

G

E

E

A

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

C

T

F

F

Y

Y

M

M

I

V

T

V

G

G

L

I

V

V

Q

P

P

R

D

D

Y

A

G

G

R

N

I

I

V

I

L

I

D

D

G

D

D

D

D

D

I

I

T

S

G

L

L

L

P

P

M

L

Y

H

R

A

R

R

A

A

R

R

L

R

G

G

I

I

G

G

Y

Y

L

L

P

P

Q
|
Q

E

E

A

A

S

S

I

I

F

F

R

R

G

R

L

L

S

S

V

V

E

Y

E

D

N

N

I

L

R

M

A

A

V

V

L

L

E

Q

V

I

V

R

E

D

P

D

-

L

D

S

R

A

H

E

V

Q

R

R

E

E

A

D

S

R

L

A

D

N

S

E

L

L

L

M

A

E

E

E

F

F

S

H

I

I

T

E

H

H

L

L

R

R

R

D

T

S

P

M

A

G

L

Q

A
x
S

L

L

S
|
S

G

G

G

G

E
|
E

R

R

R

R

R

R

V

V

E

E

I

I

A

A

R

R

C

A

L

L

A

A

S

A

N

N

P

P

H

K

F

F

V

I

L

L

L

L

D

D

E

E

P

P

F

F

A

A

G

G

I

V

D

D

P

P

I

I

A

S

V

V

G

I

D

D

I

I

R

K

D

R

L

I

V

I

G

E

H

H

L

L

K

R

N

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

D

A

V

V

I

C

D

E

R

R

A

A

Y

Y

I

I

I

V

H

S

N

Q

G

G

M

H

M

L

L

I

M

A

E

H

G

G

T

T

P

P

A

T

A

E

I

I

V

L

G

Q

N

D

E

E

D

H

V

V

R

K

R

R

V

V

Y

Y

L

L

G

G

E

E

R

D

F

F

binding phosphoaminophosphonic acid-adenylate ester: Y12 (= Y36), R15 (= R39), N37 (= N61), G40 (= G64), K41 (= K65), T42 (= T66), T43 (= T67), Q84 (= Q108), S136 (≠ A159), S138 (= S161), E141 (= E164)

6mhzA Vanadate trapped cryo-em structure of e.Coli lptb2fg transporter (see paper)
59% identity, 88% coverage: 27:258/263 of query aligns to 3:235/235 of 6mhzA

query
sites
6mhzA

L

L

V

T

A

A

Q

K

T

N

L

L

G

A

K

K

R

A

Y
|
Y

K

K

K

G

R

R

P

R

V

V

V

V

S

E

D

D

V

V

S

S

M

L

I

T

I

V

Q

N

R

S

G

G

E

E

A

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

C

T

F

F

Y

Y

M

M

I

V

T

V

G

G

L

I

V

V

Q

P

P

R

D

D

Y

A

G

G

R

N

I

I

V

I

L

I

D

D

G

D

D

D

D

D

I

I

T

S

G

L

L

L

P

P

M

L

Y

H

R

A

R

R

A

A

R

R

L

R

G

G

I

I

G

G

Y

Y

L

L

P

P

Q
|
Q

E

E

A

A

S

S

I

I

F

F

R

R

G

R

L

L

S

S

V

V

E

Y

E

D

N

N

I

L

R

M

A

A

V

V

L

L

E

Q

V

I

V

R

E

D

P

D

-

L

D

S

R

A

H

E

V

Q

R

R

E

E

A

D

S

R

L

A

D

N

S

E

L

L

L

M

A

E

E

E

F

F

S

H

I

I

T

E

H

H

L

L

R

R

R

D

T

S

P

M

A

G

L

Q

A
x
S

L

L

S
|
S

G
|
G

G
|
G

E

E

R

R

R

R

R

R

V

V

E

E

I

I

A

A

R

R

C

A

L

L

A

A

S

A

N

N

P

P

H

K

F

F

V

I

L

L

L

L

D

D

E
|
E

P

P

F

F

A

A

G
|
G

I

V

D

D

P

P

I

I

A

S

V

V

G

I

D

D

I

I

R

K

D

R

L

I

V

I

G

E

H

H

L

L

K

R

N

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

D

A

V

V

I

C

D

E

R

R

A

A

Y

Y

I

I

I

V

H

S

N

Q

G

G

M

H

M

L

L

I

M

A

E

H

G

G

T

T

P

P

A

T

A

E

I

I

V

L

G

Q

N

D

E

E

D

H

V

V

R

K

R

R

V

V

Y

Y

L

L

G

G

binding adp orthovanadate: Y12 (= Y36), N37 (= N61), G38 (= G62), G40 (= G64), K41 (= K65), T42 (= T66), T43 (= T67), Q84 (= Q108), S136 (≠ A159), S138 (= S161), G139 (= G162), G140 (= G163), E162 (= E185), G166 (= G189), H194 (= H217)

6b89A E. Coli lptb in complex with adp and novobiocin (see paper)
59% identity, 88% coverage: 27:257/263 of query aligns to 3:234/234 of 6b89A

query
sites
6b89A

L

L

V

T

A

A

Q

K

T

N

L

L

G

A

K

K

R

A

Y
|
Y

K

K

K

G

R
|
R

P

R

V
|
V

V

V

S

E

D

D

V

V

S

S

M

L

I

T

I

V

Q

N

R

S

G

G

E

E

A

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

C

T

F

F

Y

Y

M

M

I

V

T

V

G

G

L

I

V

V

Q

P

P

R

D

D

Y

A

G

G

R

N

I

I

V

I

L

I

D

D

G

D

D

D

D

D

I

I

T

S

G

L

L

L

P

P

M
x
L

Y
x
H

R

A

R

R

A

A

R

R

L

R

G

G

I

I

G

G

Y

Y

L

L

P
|
P

Q
|
Q

E

E

A
|
A

S
|
S

I

I

F
|
F

R
|
R

G
x
R

L
|
L

S

S

V

V

E

Y

E

D

N

N

I

L

R

M

A

A

V
|
V

L

L

E

Q

V

I

V

R

E

D

P

D

-

L

D

S

R

A

H

E

V

Q

R

R

E

E

A

D

S

R

L

A

D

N

S

E

L

L

L

M

A

E

E

E

F

F

S

H

I

I

T

E

H

H

L

L

R

R

R

D

T

S

P

M

A

G

L
x
Q

A

S

L

L

S

S

G

G

G

G

E

E

R

R

R

R

R

R

V

V

E

E

I

I

A

A

R
|
R

C

A

L

L

A

A

S

A

N

N

P

P

H

K

F

F

V

I

L

L

L

L

D

D

E

E

P

P

F

F

A

A

G

G

I

V

D

D

P

P

I

I

A

S

V

V

G

I

D

D

I

I

R

K

D

R

L

I

V

I

G

E

H

H

L

L

K

R

N

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

D

A

V

V

I

C

D

E

R

R

A

A

Y

Y

I

I

I

V

H

S

N

Q

G

G

M

H

M

L

L

I

M

A

E

H

G

G

T

T

P

P

A

T

A

E

I

I

V

L

G

Q

N

D

E

E

D

H

V

V

R

K

R

R

V

V

Y

Y

L

L

binding adenosine-5'-diphosphate: Y12 (= Y36), R15 (= R39), V17 (= V41), N37 (= N61), G38 (= G62), G40 (= G64), K41 (= K65), T42 (= T66), T43 (= T67)
binding magnesium ion: T42 (= T66), Q84 (= Q108)
binding novobiocin: L71 (≠ M95), H72 (≠ Y96), P83 (= P107), A86 (= A110), S87 (= S111), F89 (= F113), R90 (= R114), R91 (≠ G115), L92 (= L116), V101 (= V125), Q135 (≠ L158), R149 (= R172)

4p31A Crystal structure of a selenomethionine derivative of e. Coli lptb in complex with adp-magensium (see paper)
59% identity, 88% coverage: 27:257/263 of query aligns to 3:234/234 of 4p31A

query
sites
4p31A

L

L

V

T

A

A

Q

K

T

N

L

L

G

A

K

K

R

A

Y
|
Y

K

K

K

G

R
|
R

P

R

V
|
V

V

V

S

E

D

D

V

V

S

S

M

L

I

T

I

V

Q

N

R

S

G

G

E

E

A

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

C

T

F

F

Y

Y

M

M

I

V

T

V

G

G

L

I

V

V

Q

P

P

R

D

D

Y

A

G

G

R

N

I

I

V

I

L

I

D

D

G

D

D

D

D

D

I

I

T

S

G

L

L

L

P

P

M

L

Y

H

R

A

R

R

A

A

R

R

L

R

G

G

I

I

G

G

Y

Y

L

L

P

P

Q
|
Q

E

E

A

A

S

S

I

I

F

F

R

R

G

R

L

L

S

S

V

V

E

Y

E

D

N

N

I

L

R

M

A

A

V

V

L

L

E

Q

V

I

V

R

E

D

P

D

-

L

D

S

R

A

H

E

V

Q

R

R

E

E

A

D

S

R

L

A

D

N

S

E

L

L

L

M

A

E

E

E

F

F

S

H

I

I

T

E

H

H

L

L

R

R

R

D

T

S

P

M

A

G

L

Q

A

S

L

L

S

S

G

G

G

G

E

E

R

R

R

R

R

R

V

V

E

E

I

I

A

A

R

R

C

A

L

L

A

A

S

A

N

N

P

P

H

K

F

F

V

I

L

L

L

L

D

D

E

E

P

P

F

F

A

A

G

G

I

V

D

D

P

P

I

I

A

S

V

V

G

I

D

D

I

I

R

K

D

R

L

I

V

I

G

E

H

H

L

L

K

R

N

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

D

A

V

V

I

C

D

E

R

R

A

A

Y

Y

I

I

I

V

H

S

N

Q

G

G

M

H

M

L

L

I

M

A

E

H

G

G

T

T

P

P

A

T

A

E

I

I

V

L

G

Q

N

D

E

E

D

H

V

V

R

K

R

R

V

V

Y

Y

L

L

binding adenosine-5'-diphosphate: Y12 (= Y36), R15 (= R39), V17 (= V41), G38 (= G62), G40 (= G64), K41 (= K65), T42 (= T66), T43 (= T67)
binding magnesium ion: T42 (= T66), Q84 (= Q108)

6b8bA E. Coli lptb in complex with adp and a novobiocin derivative (see paper)
59% identity, 87% coverage: 27:256/263 of query aligns to 3:233/233 of 6b8bA

query
sites
6b8bA

L

L

V

T

A

A

Q

K

T

N

L

L

G

A

K

K

R

A

Y
|
Y

K

K

K

G

R
|
R

P

R

V
|
V

V

V

S

E

D

D

V

V

S

S

M

L

I

T

I

V

Q

N

R

S

G

G

E

E

A

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

C

T

F

F

Y

Y

M

M

I

V

T

V

G

G

L

I

V

V

Q

P

P

R

D

D

Y

A

G

G

R

N

I

I

V

I

L

I

D

D

G

D

D

D

D

D

I

I

T

S

G

L

L

L

P

P

M

L

Y

H

R

A

R

R

A

A

R

R

L

R

G

G

I

I

G

G

Y

Y

L

L

P

P

Q

Q

E

E

A

A

S

S

I

I

F
|
F

R
|
R

G
x
R

L

L

S

S

V

V

E

Y

E

D

N

N

I

L

R

M

A

A

V

V

L

L

E

Q

V

I

V

R

E

D

P

D

-

L

D

S

R

A

H

E

V

Q

R

R

E

E

A

D

S

R

L

A

D

N

S

E

L

L

L

M

A

E

E

E

F

F

S

H

I

I

T

E

H

H

L

L

R

R

R

D

T

S

P

M

A

G

L

Q

A

S

L

L

S

S

G

G

G

G

E

E

R

R

R

R

R

R

V

V

E

E

I

I

A

A

R

R

C

A

L

L

A

A

S

A

N

N

P

P

H

K

F

F

V

I

L

L

L

L

D

D

E

E

P

P

F

F

A

A

G

G

I

V

D

D

P

P

I

I

A

S

V

V

G

I

D

D

I

I

R

K

D

R

L

I

V

I

G

E

H

H

L

L

K

R

N

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

D

A

V

V

I

C

D

E

R

R

A

A

Y

Y

I

I

I

V

H

S

N

Q

G

G

M

H

M

L

L

I

M

A

E

H

G

G

T

T

P

P

A

T

A

E

I

I

V

L

G

Q

N

D

E

E

D

H

V

V

R

K

R

R

V

V

Y

Y

binding adenosine-5'-diphosphate: Y12 (= Y36), R15 (= R39), V17 (= V41), G38 (= G62), G40 (= G64), K41 (= K65), T42 (= T66), T43 (= T67)
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 (= F113), R90 (= R114), R91 (≠ G115)

1ji0A Crystal structure analysis of the abc transporter from thermotoga maritima
32% identity, 88% coverage: 27:258/263 of query aligns to 7:238/240 of 1ji0A

query
sites
1ji0A

L

L

V

E

A

V

Q

Q

T

S

L

L

G

H

K

V

R

Y

Y
|
Y

K

G

K

A

R

I

P

H

V

A

V

I

S

K

D

G

V

I

S

D

M

L

I

K

I

V

Q

P

R

R

G

G

E

Q

A

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

C

T

F

L

Y

S

M

A

I

I

T

A

G

G

L

L

V

V

Q

R

P

A

D

Q

Y

K

G

G

R

K

I

I

V

I

L

F

D

N

G

G

D

Q

D

D

I

I

T

T

G

N

L

K

P

P

M

A

Y

H

R

V

R

I

A

N

R

R

L

M

G

G

I

I

G

A

Y

L

L

V

P

P

Q
x
E

E

G

A

R

S

R

I

I

F

F

R

P

G

E

L

L

S

T

V

V

E

Y

E

E

N

N

I

L

R

-

A

M

V

M

L

G

E

A

V

Y

V

N

E

R

P

K

D

D

R

K

H

E

V

G

R

I

E

K

A

R

S

D

L

L

D

E

S

W

L

I

L

F

A

S

E

L

F

F

S

P

I

R

T

L

H

K

L

E

R

R

-

L

R

K

T

Q

P

L

A

G

L

G

A

T

L

L

S

S

G

G

G

G

E

E

R

Q

R

Q

R

M

V

L

E

A

I

I

A

G

R

R

C

A

L

L

A

M

S

S

N

R

P

P

H

K

F

L

V

L

L

M

L

M

D

D

E
|
E

P

P

F

S

A

L

G

G

I

L

D

A

P

P

I

I

A

L

V

V

G

S

D

E

I

V

R

F

D

E

L

V

V

I

G

Q

H

K

L

I

K

N

N

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

D

K

V

V

I

A

D

H

R

Y

A

G

Y

Y

I

V

I

L

H

E

N

T

G

G

M

Q

M

I

L

V

M

L

E

E

G

G

T

K

P

A

A

S

A

E

I

L

V

L

G

D

N

N

E

E

D

M

V

V

R

R

R

K

V

A

Y

Y

L

L

G

G

binding adenosine-5'-triphosphate: Y16 (= Y36), G42 (= G62), G44 (= G64), K45 (= K65), T46 (= T66), T47 (= T67), E88 (≠ Q108), E165 (= E185)

7d0aB Acinetobacter mlafedb complex in adp-vanadate trapped vclose conformation (see paper)
37% identity, 78% coverage: 38:243/263 of query aligns to 16:225/263 of 7d0aB

query
sites
7d0aB

K

E

R

R

P

V

V

I

V

Y

S

D

D

N

V

I

S

S

M

L

I

N

I

I

Q

R

R

R

G

G

E

Q

A

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

C

L

F

L

Y

R

M

L

I

I

T

G

G

G

L

Q

V

L

Q

V

P

P

D

D

Y

Q

G

G

R

E

I

V

V

L

L

L

D

D

G

G

D

K

D

D

I

I

T

A

G

Q

L

M

P

S

-

R

-

Q

-

E

-

L

M

F

Y

A

R

A

R

R

A

A

R

R

L

M

G

G

I

M

G

-

Y

-

L

L

P

F

Q

Q

E

S

A

G

S

A

I

L

F

F

R

T

G

D

L

M

S

S

V

V

E

Y

E

E

N

N

I

-

R

-

A

-

V

-

L

-

E

-

V

V

V

A

E

F

P

P

D

I

R

R

H

A

V

H

R

T

E

K

A

L

S

S

L

-

D

E

S

N

L

L

L

I

A

A

E

E

-

L

-

V

-

A

-

L

-

K

F

L

S

E

I

S

T

V

H

G

L

L

R

R

R

G

T

T

P

E

A

Q

L

L

-

M

-

P

-

T

A
x
E

L

L

S
|
S

G

G

G

G

E
x
M

R

N

R

R

R

R

V

V

E

A

I

L

A

A

R

R

C

A

L

I

A

A

S

L

N

D

P

P

H

D

F

L

V

I

L

M

L

Y

D

D

E

E

P

P

F

F

A

A

G

G

I

Q

D

D

P

P

I

I

A

V

V

K

G

G

D

V

I

L

R

T

D

R

L

L

V

I

G

R

H

S

L

L

K

R

N

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

D

S

V

I

I

A

D

D

R

Y

A

I

Y

Y

I

V

I

V

H

A

N

E

G

G

M

K

M

I

L

Q

M

G

E

E

G

G

T

T

P

P

binding adenosine-5'-diphosphate: S39 (≠ N61), T41 (≠ A63), G42 (= G64), K43 (= K65), E140 (≠ A159), S142 (= S161), M145 (≠ E164)

7d08B Acinetobacter mlafedb complex in atp-bound vtrans1 conformation (see paper)
37% identity, 78% coverage: 38:243/263 of query aligns to 16:225/263 of 7d08B

query
sites
7d08B

K

E

R
|
R

P

V

V

I

V

Y

S

D

D

N

V

I

S

S

M

L

I

N

I

I

Q

R

R

R

G

G

E

Q

A

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

C

L

F

L

Y

R

M

L

I

I

T

G

G

G

L

Q

V

L

Q

V

P

P

D

D

Y

Q

G

G

R

E

I

V

V

L

L

L

D

D

G

G

D

K

D

D

I

I

T

A

G

Q

L

M

P

S

-

R

-

Q

-

E

-

L

M

F

Y

A

R

A

R

R

A

A

R

R

L

M

G

G

I

M

G

-

Y

-

L

L

P

F

Q

Q

E

S

A

G

S

A

I

L

F

F

R

T

G

D

L

M

S

S

V

V

E

Y

E

E

N

N

I

-

R

-

A

-

V

-

L

-

E

-

V

V

V

A

E

F

P

P

D

I

R

R

H

A

V

H

R

T

E

K

A

L

S

S

L

-

D

E

S

N

L

L

L

I

A

A

E

E

-

L

-

V

-

A

-

L

-

K

F

L

S

E

I

S

T

V

H

G

L

L

R

R

R

G

T

T

P

E

A

Q

L

L

-

M

-

P

-

T

A

E

L

L

S

S

G

G

G

G

E

M

R

N

R

R

R

R

V

V

E

A

I

L

A

A

R

R

C

A

L

I

A

A

S

L

N

D

P

P

H

D

F

L

V

I

L

M

L

Y

D

D

E
|
E

P

P

F

F

A

A

G

G

I

Q

D

D

P

P

I

I

A

V

V

K

G

G

D

V

I

L

R

T

D

R

L

L

V

I

G

R

H

S

L

L

K

R

N

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

D

S

V

I

I

A

D

D

R

Y

A

I

Y

Y

I

V

I

V

H

A

N

E

G

G

M

K

M

I

L

Q

M

G

E

E

G

G

T

T

P

P

binding adenosine-5'-triphosphate: R17 (= R39), G40 (= G62), T41 (≠ A63), K43 (= K65), T44 (= T66), T45 (= T67), E166 (= E185)

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)
37% identity, 78% coverage: 38:243/263 of query aligns to 14:223/253 of 6z5uK

query
sites
6z5uK

K

E

R

R

P

V

V

I

V

Y

S

D

D

N

V

I

S

S

M

L

I

N

I

I

Q

R

R

R

G

G

E

Q

A

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

C

L

F

L

Y

R

M

L

I

I

T

G

G

G

L

Q

V

L

Q

V

P

P

D

D

Y

Q

G

G

R

E

I

V

V

L

L

L

D

D

G

G

D

K

D

D

I

I

T

A

G

Q

L

M

P

S

-

R

-

Q

-

E

-

L

M

F

Y

A

R

A

R

R

A

A

R

R

L

M

G

G

I

M

G

-

Y

-

L

L

P

F

Q
|
Q

E

S

A

G

S

A

I

L

F

F

R

T

G

D

L

M

S

S

V

V

E

Y

E

E

N

N

I

-

R

-

A

-

V

-

L

-

E

-

V

V

V

A

E

F

P

P

D

I

R

R

H

A

V

H

R

T

E

K

A

L

S

S

L

-

D

E

S

N

L

L

L

I

A

A

E

E

-

L

-

V

-

A

-

L

-

K

F

L

S

E

I

S

T

V

H

G

L

L

R

R

R

G

T

T

P

E

A

Q

L

L

-

M

-

P

-

T

A

E

L

L

S

S

G

G

G

G

E

M

R

N

R

R

R

R

V

V

E

A

I

L

A

A

R

R

C

A

L

I

A

A

S

L

N

D

P

P

H

D

F

L

V

I

L

M

L

Y

D

D

E
|
E

P

P

F

F

A

A

G

G

I

Q

D

D

P

P

I

I

A

V

V

K

G

G

D

V

I

L

R

T

D

R

L

L

V

I

G

R

H

S

L

L

K

R

N

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

D

S

V

I

I

A

D

D

R

Y

A

I

Y

Y

I

V

I

V

H

A

N

E

G

G

M

K

M

I

L

Q

M

G

E

E

G

G

T

T

P

P

binding phosphoaminophosphonic acid-adenylate ester: S37 (≠ N61), G38 (= G62), G40 (= G64), K41 (= K65), T42 (= T66), T43 (= T67), Q86 (= Q108), E164 (= E185), H197 (= H217)
binding magnesium ion: Q86 (= Q108), E164 (= E185)

Sites not aligning to the query:

binding phosphoaminophosphonic acid-adenylate ester: 12

3d31A Modbc from methanosarcina acetivorans (see paper)
32% identity, 83% coverage: 30:246/263 of query aligns to 5:215/348 of 3d31A

query
sites
3d31A

Q

E

T

S

L

L

G

S

K

R

R

K

Y

W

K

K

K

N

R

F

P

S

V

L

V

-

S

D

D

N

V

L

S

S

M

L

I

K

I

V

Q

E

R

S

G

G

E

E

A

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

C

F

F

L

Y

E

M

L

I

I

T

A

G

G

L

F

V

H

Q

V

P

P

D

D

Y

S

G

G

R

R

I

I

V

L

L

L

D

D

G

G

D

K

D

D

I

V

T

T

G

D

L

L

P

S

M

P

Y

E

R

K

R

H

A

-

R

-

L

-

G

D

I

I

G

A

Y

F

L

V

P

Y

Q

Q

E

N

A

Y

S

S

I

L

F

F

R

P

G

H

L

M

S

N

V

V

E

K

E

K

N

N

I

L

R

E

A

F

-

G

-

M

-

R

V

M

L

K

E

K

V

I

V

K

E

D

P

P

D

K

R

R

H

V

V

L

R

D

E

T

A

A

S

R

L

-

D

-

S

-

L

-

L

-

A

-

E

D

F

L

S

K

I

I

T

E

H

H

L

L

R

L

R

D

T

R

P

N

A

P

L

L

A

T

L

L

S

S

G

G

G

G

E

E

R

Q

R

Q

R

R

V

V

E

A

I

L

A

A

R

R

C

A

L

L

A

V

S

T

N

N

P

P

H

K

F

I

V

L

L

L

L

L

D

D

E

E

P

P

F

L

A

S

G

A

I

L

D

D

P

P

I

R

A

T

V

Q

G

E

D

N

I

A

R

R

D

E

L

M

V

L

G

S

-

V

-

L

H

H

L

K

K

K

N

N

R

K

G

-

I

L

G

T

V

V

L

L

I

H

T

I

D

T

H

H

N

D

V

Q

R

T

E

E

T

A

L

R

D

I

V

M

I

A

D

D

R

R

A

I

Y

A

I

V

I

V

H

M

N

D

G

G

M

K

M

L

L

I

M

Q

E

V

G

G

T

K

P

P

A

E

A

E

I

I

Sites not aligning to the query:

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

7chaI Cryo-em structure of p.Aeruginosa mlafebd with amppnp (see paper)
33% identity, 84% coverage: 33:253/263 of query aligns to 8:234/262 of 7chaI

query
sites
7chaI

G

G

K

L

R

T

Y

F

K

K

K
x
R

-

G

-

S

R

R

P

A

V

I

V

F

S

D

D

N

V

I

S

D

M

V

I

R

I

I

Q

P

R

R

G

G

E

K

A

V

V

T

G

G

L

I

L

M

G

G

P

P

N
x
S

G
|
G

A
x
C

G
|
G

K
|
K

T
|
T

T
|
T

C

L

F

L

Y

R

M

L

I

I

T

A

G

S

L

Q

V

L

Q

R

P

P

D

S

Y

K

G

G

R

E

I

V

V

W

L

V

D

N

G

G

D

Q

D

N

I

-

T

-

G

-

L

L

P

P

M

Q

Y

L

R

S

R

R

A

G

-

D

-

L

-

F

-

D

-

M

R

R

L

K

G

Q

I

F

G

G

Y

V

L

L

P

F

Q

Q

E

S

A

G

S

A

I

L

F

F

R

T

G

D

L

L

S

D

V

V

E

F

E

E

N

N

I

V

R

A

A

F

V

P

L

L

E

R

V

V

V

H

E

T

-

Q

-

L

P

P

D

E

R

E

H

M

V

I

R

R

E

-

A

-

S

-

L

-

D

D

S

I

L

V

L

L

A

M

E

K

F

L

S

Q

I

A

T

V

H

G

L

L

R

R

R

G

T

A

P

V

A

E

L

L

-

M

-

P

-

D

A

E

L

L

S

S

G

G

G

G

E

M

R

K

R

R

R

R

V

V

E

A

I

L

A

A

R

R

C

A

L

I

A

A

S

L

N

D

P

P

H

Q

F

I

V

L

L

L

L

Y

D

D

E

E

P

P

F

F

A

V

G

G

I

Q

D

D

P

P

I

I

A

A

V

M

G

G

D

V

I

L

R

V

D

R

L

L

V

I

G

R

H

L

L

L

K

N

N

D

R

A

-

L

G

G

I

I

G

T

V

S

L

I

I

V

T

V

D

S

H

H

N

D

V

L

R

A

E

E

T

T

L

A

D

S

V

I

I

A

D

D

R

Y

A

I

Y

Y

I

I

I

V

H

G

N

D

G

G

M

R

M

V

L

L

M

G

E

H

G

G

T

T

P

P

A

D

A

V

I

L

V

K

G

E

N

T

E

D

D

D

V

P

R

R

binding phosphoaminophosphonic acid-adenylate ester: R13 (≠ K38), S38 (≠ N61), G39 (= G62), C40 (≠ A63), G41 (= G64), K42 (= K65), T43 (= T66), T44 (= T67)

4yerA Crystal structure of an abc transporter atp-binding protein (tm_1403) from thermotoga maritima msb8 at 2.35 a resolution
32% identity, 85% coverage: 27:250/263 of query aligns to 5:230/285 of 4yerA

query
sites
4yerA

L

I

V

V

A

V

Q

E

T

N

L

L

G

V

K

K

R

K

Y
x
F

K

G

K

D

R
x
F

P

E

V

A

V

V

S

K

D

G

V

V

S

S

M

F

I

S

I

V

Q

K

R

K

G

G

E

E

A

I

V

F

G

A

L

F

L

L

G

G

P

P

N
|
N

G
|
G

A

A

G
|
G

K
|
K

T
|
T

T
|
T

C

T

F

I

Y

H

M

M

I

L

T

T

G

T

L

L

V

L

Q

K

P

P

D

T

Y

S

G

G

R

K

I

A

V

W

L

V

D

A

G

G

D

H

D

D

I

V

T

L

G

K

L

E

P

P

M

-

Y

-

R

R

R

E

A

V

R

R

L

R

G

K

I

I

G

G

Y

I

L

V

P

F

Q

Q

E

D

A

Q

S

S

I

L

F

D

R

R

G

E

L

L

S

T

V

A

E

Y

E

E

N

N

I

M

R

Y

A

I

V

H

L

G

E

K

V

I

V

Y

E

G

P

Y

D

G

R

G

H

E

V

K

R

L

E

K

A

K

S

R

L

I

D

L

S

E

L

L

L

L

A

E

E

F

F

V

S

E

I

L

T

L

H

E

L

F

R

K

R

D

T

K

P

P

A

V

L

K

A
x
T

L
x
F

S
|
S

G

G

G

G

E

M

R

A

R

R

R

R

V

L

E

E

I

I

A

A

R

R

C

S

L

L

A

I

S

H

N

E

P

P

H

E

F

V

V

L

L

F

L

L

D

D

E

E

P

P

F

T

A

I

G

G

I

L

D

D

P

P

I

H

A

T

V

R

G

A

D

H

I

M

R

W

D

E

L

Y

V

I

G

S

H

K

L

M

K

K

N

K

R

E

-

H

G

N

I

M

G

T

V

I

L

F

I

L

T

T

D

T

H

H

N

Y

V

M

R

D

E

E

T

A

L

E

D

Q

V

L

I

A

D

D

R

R

A

V

Y

A

I

I

I

I

H

D

N

H

G

G

M

K

M

I

L

I

M

A

E

L

G

G

T

T

P

P

A

T

A

E

I

L

-

K

-

R

-

M

V

V

G

G

N

K

E

E

binding adenosine-5'-diphosphate: F14 (≠ Y36), F17 (≠ R39), N39 (= N61), G40 (= G62), G42 (= G64), K43 (= K65), T44 (= T66), T45 (= T67), T135 (≠ A159), F136 (≠ L160), S137 (= S161)

1g6hA Crystal structure of the adp conformation of mj1267, an atp-binding cassette of an abc transporter (see paper)
28% identity, 89% coverage: 27:259/263 of query aligns to 5:254/254 of 1g6hA

query
sites
1g6hA

L

L

V

R

A

T

Q

E

T

N

L

I

G

V

K

K

R

Y

Y
x
F

K

G

K

E

R
x
F

P

K

V

A

V

L

S

D

D

G

V

V

S

S

M

I

I

S

I

V

Q

N

R

K

G

G

E

D

A

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

C

L

F

I

Y

N

M

V

I

I

T

T

G

G

L

F

V

L

Q

K

P

A

D

D

Y

E

G

G

R

R

I

V

V

Y

L

F

D

E

G

N

D

K

D

D

I

I

T

T

G

N

L

K

P

E

M

P

Y

A

R

E

R

L

A

Y

R

H

L

Y

G

G

I

I

G

V

Y

R

L

T

P

F

Q

Q

E

T

A

P

S

Q

I

P

F

L

R

K

G

E

L

M

S

T

V

V

E

L

E

E

N

N

I

L

R

L

A

I

-

G

-

E

-

I

-

C

-

P

-

G

-

E

-

S

-

P

-

L

-

N

-

S

-

L

-

F

V

Y

L

K

E

K

V

W

V

I

E

P

P

K

D

E

R

E

H

E

V

M

R

V

E

E

A

K

S

A

L

F

D

-

S

K

L

I

L

L

A

E

E

F

F

L

S

K

I

L

T

S

H

H

L

L

R

Y

R

D

T

R

P

K

A

A

L

G

A

E

L

L

S

S

G

G

G

G

E

Q

R

M

R

K

R

L

V

V

E

E

I

I

A

G

R

R

C

A

L

L

A

M

S

T

N

N

P

P

H

K

F

M

V

I

L

V

L

M

D

D

E

E

P

P

F

I

A

A

G

G

I

V

D

A

P

P

I

G

A

L

V

A

G

H

D

D

I

I

R

F

D

N

L

H

V

V

G

L

H

E

L

L

K

K

N

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

D

N

V

Y

I

I

D

D

R

H

A

L

Y

Y

I

V

I

M

H

F

N

N

G

G

M

Q

M

I

L

I

M

A

E

E

G

G

-

R

-

G

-

E

-

E

T

E

P

I

A

K

A

N

I

V

V

L

G

S

N

D

E

P

D

K

V

V

R

V

R

E

V

I

Y

Y

L

I

G

G

E

E

binding adenosine-5'-diphosphate: F14 (≠ Y36), F17 (≠ R39), N39 (= N61), G40 (= G62), G42 (= G64), K43 (= K65), S44 (≠ T66), T45 (= T67)

1g9xB Characterization of the twinning structure of mj1267, an atp-binding cassette of an abc transporter (see paper)
30% identity, 87% coverage: 27:255/263 of query aligns to 5:241/253 of 1g9xB

query
sites
1g9xB

L

L

V

R

A

T

Q

E

T

N

L

I

G

V

K

K

R

Y

Y
x
F

K

G

K

E

R
x
F

P

K

V

A

V

L

S

D

D

G

V

V

S

S

M

I

I

S

I

V

Q

C

R

K

G

G

E

D

A

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

C

L

F

I

Y

N

M

V

I

I

T

T

G

G

L

F

V

L

Q

K

P

A

D

D

Y

E

G

G

R

R

I

V

V

Y

L

F

D

E

G

N

D

K

D

D

I

I

T

T

G

N

L

K

P

E

M

P

Y

A

R

E

R

L

A

Y

R

H

L

Y

G

G

I

I

G

V

Y

R

L

T

P

F

Q

Q

E

T

A

P

S

Q

I

P

F

L

R

K

G

E

L

M

S

T

V

V

E

L

E

E

N

N

I

L

R

-

A

-

V

L

L

I

E

G

V

E

V

I

E

N

P

P

D

G

R

-

H

-

V

-

R

-

E

E

A

S

S

P

L

L

D

N

S

S

L

L

-

F

-

Y

-

K

-

K

-

W

-

I

-

P

-

K

-

E

-

E

-

E

-

M

-

V

-

E

-

K

-

A

-

F

-

K

L

I

A

L

E

E

F

F

-

L

S

K

I

L

T

S

H

H

L

L

R

Y

R

D

T

R

P

K

A

A

L

G

A

E

L

L

S

S

G

G

G

G

E

Q

R

M

R

K

R

L

V

V

E

E

I

I

A

G

R

R

C

A

L

L

A

M

S

T

N

N

P

P

H

K

F

M

V

I

L

V

L

M

D

D

E
|
E

P

P

F

I

A

A

G

G

I

V

D

A

P

P

I

G

A

L

V

A

G

H

D

D

I

I

R

F

D

N

L

H

V

V

G

L

H

E

L

L

K

K

N

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

D

N

V

Y

I

I

D

D

R

H

A

L

Y

Y

I

V

I

M

H

F

N

N

G

G

M

Q

M

I

L

I

M

A

E

E

G

G

T

R

P

-

A

-

A

-

I

-

V

-

G

G

N

E

E

E

D

E

V

I

R

K

R

N

V

V

binding adenosine-5'-diphosphate: F14 (≠ Y36), F17 (≠ R39), G40 (= G62), S41 (≠ A63), G42 (= G64), K43 (= K65), S44 (≠ T66), T45 (= T67)
binding magnesium ion: S44 (≠ T66), E176 (= E185)

4ymuJ Crystal structure of an amino acid abc transporter complex with arginines and atps (see paper)
30% identity, 81% coverage: 34:246/263 of query aligns to 9:223/240 of 4ymuJ

query
sites
4ymuJ

K

K

R

N

Y
x
F

K

G

K

S

R

L

P

E

V
|
V

V

L

S

K

D

G

V

V

S

T

M

L

I

K

I

V

Q

N

R

K

G

G

E

E

A

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

C

L

F

L

Y

R

M

C

I

I

T

N

G

L

L

L

V

E

Q

E

P

P

D

T

Y

K

G

G

R

E

I

V

V

F

L

I

D

D

G

G

D

V

D

K

I

I

T

N

-

N

G

G

L

K

P

V

M

N

Y

I

R

N

R

K

A

V

R

R

L

Q

G

K

I

V

G

G

Y

M

L

V

P

F

Q

Q

E

H

A

F

S

N

I

L

F

F

R

P

G

H

L

L

S

T

V

A

E

I

E

E

N

N

I

I

R

T

-

L

A

A

V

P

L

V

E

K

V

V

V

K

E

K

P

M

D

N

R

K

H

K

V

E

R

A

E

E

A

E

S

L

L

A

D

V

S

D

L

L

L

L

A

A

E

K

F

V

S

G

I

L

T

L

H

D

L

K

R

K

R

D

T

Q

P

Y

A

P

L

I

A

K

L

L

S

S

G

G

G

G

E

Q

R

K

R

Q

R

R

V

L

E

A

I

I

A

A

R

R

C

A

L

L

A

A

S

M

N

Q

P

P

H

E

F

V

V

M

L

L

L

F

D

D

E
|
E

P

P

F

T

A

S

G

A

I

L

D

D

P

P

I

E

A

M

V

V

G

K

D

E

I

V

R

L

D

N

L

V

V

M

G

K

H

Q

L

L

K

A

N

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

D

E

V

V

I

G

D

D

R

R

A

V

Y

I

I

F

I

M

H

D

N

D

G

G

M

V

M

I

L

V

M

E

E

E

G

G

T

T

P

P

A

E

A

E

I

I

binding adenosine-5'-triphosphate: F11 (≠ Y36), V16 (= V41), S36 (≠ N61), G37 (= G62), S38 (≠ A63), G39 (= G64), K40 (= K65), S41 (≠ T66), T42 (= T67), E162 (= E185), H194 (= H217)
binding magnesium ion: S41 (≠ T66), E162 (= E185)

5x40A Structure of a cbio dimer bound with amppcp (see paper)
31% identity, 79% coverage: 41:249/263 of query aligns to 20:230/280 of 5x40A

query
sites
5x40A

V
x
A

V

L

S

D

D

D

V

L

S

S

M

L

I

A

I

V

Q

P

R

K

G

G

E

E

A

S

V

L

G

A

L

I

L

L

G

G

P

P

N
|
N

G
|
G

A

A

G
|
G

K
|
K

T
x
S

T
|
T

C

L

F

L

Y

L

M

H

I

L

T

N

G

G

L

T

V

L

Q

R

P

P

D

Q

Y

S

G

G

R

R

I

V

V

L

L

L

D

G

G

G

-

T

-

A

-

T

-

G

-

H

-

S

-

R

D

K

D

D

I

L

T

T

G

G

L

-

P

-

M

-

Y

W

R

R

R

R

A

-

R

R

L

V

G

G

I

L

G

V

Y

L

L
x
Q

P

D

Q

A

E

D

A

D

S

Q

I

L

F

F

R

A

G

T

L

T

S

V

V

F

E

E

E

D

N

V

I

S

R

F

A

G

V

P

L

L

E

N

V

L

V

G

E

L

P

S

D

E

R

A

H

E

V

A

R

R

E

-

A

A

S

R

L

V

D

E

S

E

L

A

L

L

A

A

E

A

F

L

S

S

I

I

T

S

H

D

L

L

R

R

R

D

T

R

P

P

A

T

L
x
H

A
x
M

L
|
L

S
|
S

G

G

G
|
G

E
x
Q

R

K

R

R

R

R

V

V

E

A

I

I

A

A

R

G

C

A

L

V

A

A

S

M

N

R

P

P

H

E

F

V

V

L

L

L

L

L

D

D

E
x
Q

P

P

F

T

A

A

G

G

I

L

D

D

P

L

I

A

A

G

V

T

G

E

D

Q

I

L

R

L

D

T

L

L

V

L

G

R

H

G

L

L

K

R

N

A

R

A

G

G

I

M

G

T

V

L

L

V

I

F

T

S

D

T

H
|
H

N

D

V

V

R

E

E

L

T

A

L

A

D

A

V

L

I

A

D

D

R

R

A

V

Y

A

I

L

I

F

H

R

N

T

G

G

M

R

M

V

L

L

M

A

E

E

G

G

T

A

P

A

A

E

A

A

I

V

V

L

G

S

N

D

binding phosphomethylphosphonic acid adenylate ester: A20 (≠ V41), N40 (= N61), G41 (= G62), G43 (= G64), K44 (= K65), S45 (≠ T66), T46 (= T67), Q88 (≠ L106), H139 (≠ L158), M140 (≠ A159), L141 (= L160), S142 (= S161), G144 (= G163), Q145 (≠ E164), Q166 (≠ E185), H198 (= H217)
binding magnesium ion: S45 (≠ T66), Q88 (≠ L106)

Sites not aligning to the query:

binding phosphomethylphosphonic acid adenylate ester: 14, 18

8ee6A Cryo-em structure of human abca7 in pe/ch nanodiscs (see paper)
34% identity, 84% coverage: 27:248/263 of query aligns to 1498:1719/1808 of 8ee6A

query
sites
8ee6A

L

L

V

V

A

L

Q

R

T

N

L

L

G

T

K

K

R

V

Y
|
Y

K

R

-

G

-

Q

K

R

R

M

P

P

V
x
A

V

V

S

D

D

R

V

L

S

C

M

L

I

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