SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing SM_b20904 FitnessBrowser__Smeli:SM_b20904 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)

P04983 Ribose import ATP-binding protein RbsA; EC 7.5.2.7 from Escherichia coli (strain K12) (see paper)
36% identity, 97% coverage: 8:260/261 of query aligns to 4:258/501 of P04983

query
sites
P04983

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K43 (= K47) mutation to R: Loss of transport.

4u00A Crystal structure of ttha1159 in complex with adp (see paper)
29% identity, 87% coverage: 7:233/261 of query aligns to 1:223/241 of 4u00A

query
sites
4u00A

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binding adenosine-5'-diphosphate: F12 (= F18), V17 (≠ A23), S37 (≠ N43), G38 (= G44), S39 (≠ A45), G40 (= G46), K41 (= K47), S42 (= S48), T43 (= T49)

1g6hA Crystal structure of the adp conformation of mj1267, an atp-binding cassette of an abc transporter (see paper)
29% identity, 88% coverage: 8:236/261 of query aligns to 4:240/254 of 1g6hA

query
sites
1g6hA

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N

binding adenosine-5'-diphosphate: F14 (= F18), F17 (≠ I21), N39 (= N43), G40 (= G44), G42 (= G46), K43 (= K47), S44 (= S48), T45 (= T49)

1g9xB Characterization of the twinning structure of mj1267, an atp-binding cassette of an abc transporter (see paper)
29% identity, 88% coverage: 8:236/261 of query aligns to 4:240/253 of 1g9xB

query
sites
1g9xB

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binding adenosine-5'-diphosphate: F14 (= F18), F17 (≠ I21), G40 (= G44), S41 (≠ A45), G42 (= G46), K43 (= K47), S44 (= S48), T45 (= T49)
binding magnesium ion: S44 (= S48), E176 (= E172)

3c4jA Abc protein artp in complex with atp-gamma-s
29% identity, 87% coverage: 8:233/261 of query aligns to 3:225/242 of 3c4jA

query
sites
3c4jA

L

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binding phosphothiophosphoric acid-adenylate ester: F13 (= F18), V18 (≠ A23), S38 (≠ N43), G39 (= G44), S40 (≠ A45), G41 (= G46), K42 (= K47), S43 (= S48), T44 (= T49)

3c41J Abc protein artp in complex with amp-pnp/mg2+
29% identity, 87% coverage: 8:233/261 of query aligns to 3:225/242 of 3c41J

query
sites
3c41J

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A
x
V

V

L

D

K

D

G

A

I

S

N

V

V

D

H

L

I

Y

R

P

E

G

G

E

E

V

V

V

V

A

V

L

V

L

I

G

G

H

P

N
x
S

G
|
G

A

S

G
|
G

K
|
K

S
|
S

T
|
T

L

F

I

L

K

R

I

C

L

L

S

N

G

L

A

L

Y

E

K

D

R

F

D

D

A

E

G

G

E

E

I

I

L

I

I

I

N

D

G

G

-

I

-

N

-

L

-

K

-

A

E

K

P

D

A

T

E

N

I

L

N

N

N

K

P

V

R

R

D

E

A

E

K

-

K

-

Y

-

G

-

I

V

E

G

T

M

I

V

Y

F

Q

Q

T

R

L

F

A

N

V

L

A

F

D

P

N

H

V

M

D

T

A

V

A

L

A

N

N

N

L

I

Y

T

L

L

G

A

R

P

E

M

L

K

R

V

T

R

P

K

W

W

G

P

T

R

L

-

D

-

D

-

V

E

A

K

M

A

E

E

A

A

K

K

A

A

R

M

E

E

V

L

M

L

G

D

R

K

L

V

N

G

P

L

N

K

F

D

Q

K

R

A

F

H

K

A

E

Y

P

P

V

-

K

D

A

S

L

L

S

S

G

G

G

G

Q

Q

R

A

Q

Q

S

R

V

V

A

A

I

I

A

A

R

R

A

A

I

L

L

A

F

M

D

E

A

P

R

K

I

I

L

M

I

L

M

F

D
|
D

E

E

P

P

T

T

A

S

A

A

L

L

G

D

P

P

Q

E

E

M

T

V

A

G

Q

E

V

V

G

L

E

S

L

V

I

M

K

K

Q

Q

L

L

K

A

R

N

E

E

G

G

I

M

G

T

I

M

F

V

L

V

I

V

S

T

H

H

D

E

I

M

H

G

D

F

V

A

F

R

D

E

L

V

A

G

D

D

R

R

V

V

S

L

V

F

M

M

K

D

N

G

G

G

Q

Y

V

I

V

I

G

E

H

E

A

G

R

K

T

P

E

E

D

D

V

L

binding phosphoaminophosphonic acid-adenylate ester: F13 (= F18), V18 (≠ A23), S38 (≠ N43), G39 (= G44), G41 (= G46), K42 (= K47), S43 (= S48), T44 (= T49)
binding magnesium ion: S43 (= S48), D163 (= D171)

2olkA Abc protein artp in complex with adp-beta-s
29% identity, 87% coverage: 8:233/261 of query aligns to 3:225/242 of 2olkA

query
sites
2olkA

L

M

V

I

E

D

M

V

K

H

N

Q

I

L

S

K

I

K

S

S

F
|
F

G

G

G

S

I

L

H

E

A
x
V

V

L

D

K

D

G

A

I

S

N

V

V

D

H

L

I

Y

R

P

E

G

G

E

E

V

V

V

V

A

V

L

V

L

I

G

G

H

P

N
x
S

G
|
G

A
x
S

G
|
G

K
|
K

S
|
S

T
|
T

L

F

I

L

K

R

I

C

L

L

S

N

G

L

A

L

Y

E

K

D

R

F

D

D

A

E

G

G

E

E

I

I

L

I

I

I

N

D

G

G

-

I

-

N

-

L

-

K

-

A

E

K

P

D

A

T

E

N

I

L

N

N

N

K

P

V

R

R

D

E

A

E

K

-

K

-

Y

-

G

-

I

V

E

G

T

M

I

V

Y

F

Q

Q

T

R

L

F

A

N

V

L

A

F

D

P

N

H

V

M

D

T

A

V

A

L

A

N

N

N

L

I

Y

T

L

L

G

A

R

P

E

M

L

K

R

V

T

R

P

K

W

W

G

P

T

R

L

-

D

-

D

-

V

E

A

K

M

A

E

E

A

A

K

K

A

A

R

M

E

E

V

L

M

L

G

D

R

K

L

V

N

G

P

L

N

K

F

D

Q

K

R

A

F

H

K

A

E

Y

P

P

V

-

K

D

A

S

L

L

S

S

G

G

G

G

Q

Q

R

A

Q

Q

S

R

V

V

A

A

I

I

A

A

R

R

A

A

I

L

L

A

F

M

D

E

A

P

R

K

I

I

L

M

I

L

M

F

D

D

E

E

P

P

T

T

A

S

A

A

L

L

G

D

P

P

Q

E

E

M

T

V

A

G

Q

E

V

V

G

L

E

S

L

V

I

M

K

K

Q

Q

L

L

K

A

R

N

E

E

G

G

I

M

G

T

I

M

F

V

L

V

I

V

S

T

H

H

D

E

I

M

H

G

D

F

V

A

F

R

D

E

L

V

A

G

D

D

R

R

V

V

S

L

V

F

M

M

K

D

N

G

G

G

Q

Y

V

I

V

I

G

E

H

E

A

G

R

K

T

P

E

E

D

D

V

L

binding 5'-o-[(r)-hydroxy(thiophosphonooxy)phosphoryl]adenosine: F13 (= F18), V18 (≠ A23), S38 (≠ N43), G39 (= G44), S40 (≠ A45), G41 (= G46), K42 (= K47), S43 (= S48), T44 (= T49)

2oljA Abc protein artp in complex with adp/mg2+
29% identity, 87% coverage: 8:233/261 of query aligns to 3:225/242 of 2oljA

query
sites
2oljA

L

M

V

I

E

D

M

V

K

H

N

Q

I

L

S

K

I

K

S

S

F
|
F

G

G

G

S

I

L

H

E

A
x
V

V

L

D

K

D

G

A

I

S

N

V

V

D

H

L

I

Y

R

P

E

G

G

E

E

V

V

V

V

A

V

L

V

L

I

G

G

H

P

N
x
S

G
|
G

A
x
S

G
|
G

K
|
K

S
|
S

T
|
T

L

F

I

L

K

R

I

C

L

L

S

N

G

L

A

L

Y

E

K

D

R

F

D

D

A

E

G

G

E

E

I

I

L

I

I

I

N

D

G

G

-

I

-

N

-

L

-

K

-

A

E

K

P

D

A

T

E

N

I

L

N

N

N

K

P

V

R

R

D

E

A

E

K

-

K

-

Y

-

G

-

I

V

E

G

T

M

I

V

Y

F

Q

Q

T

R

L

F

A

N

V

L

A

F

D

P

N

H

V

M

D

T

A

V

A

L

A

N

N

N

L

I

Y

T

L

L

G

A

R

P

E

M

L

K

R

V

T

R

P

K

W

W

G

P

T

R

L

-

D

-

D

-

V

E

A

K

M

A

E

E

A

A

K

K

A

A

R

M

E

E

V

L

M

L

G

D

R

K

L

V

N

G

P

L

N

K

F

D

Q

K

R

A

F

H

K

A

E

Y

P

P

V

-

K

D

A

S

L

L

S

S

G

G

G

G

Q

Q

R

A

Q

Q

S

R

V

V

A

A

I

I

A

A

R

R

A

A

I

L

L

A

F

M

D

E

A

P

R

K

I

I

L

M

I

L

M

F

D

D

E

E

P

P

T

T

A

S

A

A

L

L

G

D

P

P

Q

E

E

M

T

V

A

G

Q

E

V

V

G

L

E

S

L

V

I

M

K

K

Q

Q

L

L

K

A

R

N

E

E

G

G

I

M

G

T

I

M

F

V

L

V

I

V

S

T

H

H

D

E

I

M

H

G

D

F

V

A

F

R

D

E

L

V

A

G

D

D

R

R

V

V

S

L

V

F

M

M

K

D

N

G

G

G

Q

Y

V

I

V

I

G

E

H

E

A

G

R

K

T

P

E

E

D

D

V

L

binding adenosine-5'-diphosphate: F13 (= F18), V18 (≠ A23), S38 (≠ N43), G39 (= G44), S40 (≠ A45), G41 (= G46), K42 (= K47), S43 (= S48), T44 (= T49)

P69874 Spermidine/putrescine import ATP-binding protein PotA; EC 7.6.2.11 from Escherichia coli (strain K12) (see 3 papers)
31% identity, 84% coverage: 6:224/261 of query aligns to 15:226/378 of P69874

query
sites
P69874

T

S

P

P

L

L

V

V

E

Q

M

L

K

A

N

G

I

I

S

R

I

K

S
x
C

F
|
F

G

D

G

G

I

K

H

E

A

V

V

I

D

P

D

Q

A

L

S

D

V

L

D

T

L

I

Y

N

P

N

G

G

E

E

V
x
F

V

L

A

T

L

L

L

L

G

G

H

P

N

S

G

G

A
x
C

G

G

K

K

S

T

T

T

L

V

I
x
L

K

R

I

L

L

I

S

A

G

G

A

L

Y

E

K

T

R

V

D

D

A

S

G

G

E

R

I

I

L

M

I
x
L

N

D

G

N

E

E

P

-

A

-

E

D

I

I

N

T

N

H

P

V

R

P

D

A

A

E

K

N

K

R

Y

Y

G

-

I

V

E

N

T

T

I

V

Y

F

Q

Q

T

S

L

Y

A

A

V

L

A

F

D

P

N

H

V

M

D

T

A

V

A

F

A

E

N

N

L

V

Y

A

L

F

G

G

-

L

R

R

E

M

L

Q

R

K

T

T

P

P

W

A

G

A

T

E

L

I

D

T

D

P

V

R

A

V

M

M

E

E

A

A

K

L

A

R

R

-

E

-

V

-

M

M

G
x
V

R

Q

L

L

N

E

P

T

N

F

F

A

Q

Q

R

R

F

-

K

-

E

K

P

P

V

-

K

H

A

Q

L

L

S

S

G

G

G

G

Q

Q

R

Q

Q

Q

S

R

V

V

A

A

I

I

A

A

R

R

A

A

I

V

L

V

F

N

D

K

A

P

R

R

I

L

L

L

I

L

M

L

D
|
D

E

E

P

S

T

L

A

S

A

A

L

L

G

D

P

Y

Q

K

E

L

T

R

A

K

Q

Q

V

M

G

Q

E

N

L

E

I

L

K

K

Q

A

L

L

K

Q

R

R

E

K

-

L

G

G

I

I

G

T

I

F

F

V

L

F

I

V

S

T

H

H

D

D

I

Q

H

E

D

E

V

A

F

L

D

T

L

M

A

S

D

D

R

R

V

I

S

V

V

V

M

M

K

R

N

D

G

G

Q

R

V

I

C26 (≠ S17) mutation to A: Lower ATPase activity and transport efficiency.
F27 (= F18) mutation to L: Lower ATPase activity and transport efficiency.
F45 (≠ V36) mutation to L: Lower ATPase activity and transport efficiency.
C54 (≠ A45) mutation to T: Loss of ATPase activity and transport.
L60 (≠ I51) mutation to F: Lower ATPase activity and transport efficiency.
L76 (≠ I67) mutation to P: Lower ATPase activity and transport efficiency.
V135 (≠ G131) mutation to M: Loss of ATPase activity and transport.
D172 (= D171) mutation to N: Loss of ATPase activity and transport.

Sites not aligning to the query:

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

5x40A Structure of a cbio dimer bound with amppcp (see paper)
32% identity, 89% coverage: 6:237/261 of query aligns to 2:231/280 of 5x40A

query
sites
5x40A

T

T

P

P

L

I

V

L

E

A

M

A

K

E

N

A

I

L

S

T

I

Y

S

A

F
|
F

-

P

G

G

G

G

I
x
V

H

K

A
|
A

V

L

D

D

D

D

A

L

S

S

V

L

D

A

L

V

Y

P

P

K

G

G

E

E

V

S

V

L

A

A

L

I

L

L

G

G

H

P

N
|
N

G
|
G

A

A

G
|
G

K
|
K

S
|
S

T
|
T

L

L

I

L

K

L

I

H

L

L

S

N

G

G

A

T

Y

L

K

R

R

P

D

Q

A

S

G

G

E

R

I

V

L

L

I

L

N

G

G

G

E

T

P

-

A

A

E

T

I

G

N

H

N

S

P

R

R

K

D

D

A

L

K

T

K

G

Y

W

G

R

I

-

E

R

T

R

I

V

Y

G

Q

L

T

V

L

L

A
x
Q

V

D

A

A

D

D

N

D

V

Q

D

L

A

F

A

A

A

T

N

T

L

V

Y

F

L

E

G

D

R

-

E

-

L

-

R

-

T

V

P

S

W

F

G

G

T

P

L

L

D

N

D

L

V

G

A

L

M

S

E

E

A

A

K

E

A

A

R

R

-

A

-

R

-

V

-

E

E

E

V

A

M

L

G

A

R

A

L

L

N

S

P

I

N

S

F

D

Q

L

R

R

F

-

K

D

E

R

P

P

V

T

K
x
H

A
x
M

L
|
L

S
|
S

G

G

G
|
G

Q
|
Q

R

K

Q

R

S

R

V

V

A

A

I

I

A

A

R

G

A

A

I

V

L

A

F

M

D

R

A

P

R

E

I

V

L

L

I

L

M

L

D

D

E
x
Q

P

P

T

T

A

A

A

G

L

L

G

D

P

L

Q

A

E

G

T

T

A

E

Q

Q

V

L

G

L

E

T

L

L

I

L

K

R

Q

G

L

L

K

R

R

A

E

A

G

G

I

M

G

T

I

L

F

V

L

F

I

S

S

T

H
|
H

D

D

I

V

H

E

D

L

V

A

F

A

D

A

L

L

A

A

D

D

R

R

V

V

S

A

V

L

M

F

K

R

N

T

G

G

Q

R

V

V

V

L

G

A

H

E

A

G

R

A

T

A

E

E

D

A

V

V

T

L

K

S

D

D

E

R

binding phosphomethylphosphonic acid adenylate ester: F14 (= F18), V18 (≠ I21), A20 (= A23), N40 (= N43), G41 (= G44), G43 (= G46), K44 (= K47), S45 (= S48), T46 (= T49), Q88 (≠ A93), H139 (≠ K145), M140 (≠ A146), L141 (= L147), S142 (= S148), G144 (= G150), Q145 (= Q151), Q166 (≠ E172), H198 (= H204)
binding magnesium ion: S45 (= S48), Q88 (≠ A93)

3d31A Modbc from methanosarcina acetivorans (see paper)
28% identity, 90% coverage: 8:242/261 of query aligns to 1:224/348 of 3d31A

query
sites
3d31A

L

M

V

I

E

E

M

I

K

E

N

S

I

L

S

S

I

R

S

K

F

W

G

K

G

N

I

F

H

-

A

S

V

L

D

D

D

N

A

L

S

S

V

L

D

K

L

V

Y

E

P

S

G

G

E

E

V

Y

V

F

A

V

L

I

L

L

G

G

H

P

N

T

G

G

A

A

G

G

K

K

S

T

T

L

L

F

I

L

K

E

I

L

L

I

S

A

G

G

A

F

Y

H

K

V

R

P

D

D

A

S

G

G

E

R

I

I

L

L

I

L

N

D

G

G

E

K

P

D

A

V

E

T

I

D

N

L

N

S

P

P

R

-

D

-

A

-

K

E

K

K

Y

H

G

D

I

I

E

A

T

F

I

V

Y

Y

Q

Q

T

N

L

Y

A

S

V

L

A

F

D

P

N

H

V

M

D

N

A

V

A

K

A

K

N

N

L

L

Y

E

L

F

G

G

-

M

-

R

-

M

R

K

E

K

L

I

R

K

T

D

P

P

W

K

G

R

T

V

L

L

D

D

D

-

V

T

A

A

M

R

E

D

A

L

K

K

A

I

R

E

E

H

V

L

M

L

G

D

R

R

L

-

N

N

P

P

N

-

F

-

Q

-

R

-

F

-

K

-

E

-

P

-

V

-

K

L

A

T

L

L

S

S

G

G

G

G

Q

E

R

Q

Q

Q

S

R

V

V

A

A

I

L

A

A

R

R

A

A

I

L

L

V

F

T

D

N

A

P

R

K

I

I

L

L

I

L

M

L

D

D

E

E

P

P

T

L

A

S

A

A

L

L

G

D

P

P

Q

R

E

T

T

Q

A

E

Q

N

V

A

G

R

E

E

L

M

I

L

K

S

Q

V

L

L

-

H

K

K

R

K

E

N

G

K

I

L

G

T

I

V

F

L

L

H

I

I

S

T

H

H

D

D

I

Q

H

T

D

E

V

A

F

R

D

I

L

M

A

A

D

D

R

R

V

I

S

A

V

V

M

V

K

M

N

D

G

G

Q

K

V

L

V

I

G

Q

H

V

A

G

R

K

T

P

E

E

D

E

V

I

T

F

K

E

D

K

E

P

V

V

L

E

G

G

M

R

I

V

Sites not aligning to the query:

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

6s8nB Cryo-em structure of lptb2fgc in complex with lipopolysaccharide (see paper)
27% identity, 90% coverage: 12:246/261 of query aligns to 6:236/238 of 6s8nB

query
sites
6s8nB

K

K

N

N

I

L

S

A

I

K

S

A

F

Y

G

K

G

G

I

R

H

R

A

V

V

V

D

E

D

D

A

V

S

S

V

L

D

T

L

V

Y

N

P

S

G

G

E

E

V

I

V

V

A

G

L

L

L

L

G

G

H

P

N

N

G

G

A

A

G

G

K

K

S

T

T

T

L

T

I

F

K

Y

I

M

L

V

S

V

G

G

A

I

Y

V

K

P

R

R

D

D

A

A

G

G

E

N

I

I

L

I

I

I

N

D

G

D

E

D

P

D

A

I

E

S

I

L

N

L

N

P

P

L

R

H

D

A

A

R

K

A

K

R

Y

R

G

G

I

I

-

G

-

Y

-

L

-

P

-

Q

-

E

E

A

T

S

I

I

Y

F

Q
x
R

T

R

L

L

A

S

V

V

A

Y

D

D

N

N

V

L

D

M

A

A

A

V

A

L

N

Q

L

I

Y

R

L

-

G

-

R

-

E

-

L

-

R

-

T

-

P

-

W

-

G

-

T

-

L

-

D

D

D

D

V

L

A

S

M

A

E

E

A

Q

K

R

-

E

-

D

-

R

A

A

R

N

E

E

V

L

M

M

G

E

R

E

L

F

N

H

P

-

N

-

F

I

Q

E

R

H

F

L

K

R

E

D

P

S

V
x
M

-
x
G

K
x
Q

A

S

L

L

S

S

G

G

G

G

Q

E

R

R

Q

R

S

R

V

V

A

E

I

I

A

A

R

R

A

A

I

L

L

A

F

A

D

N

A

P

R

K

I

F

L

I

I

L

M

L

D

D

E

E

P

P

T

F

A

A

A

G

L

V

G

D

P

P

Q

I

E

S

T

V

A

I

Q

D

V

I

G

K

E

R

L

I

I

I

K

E

Q

H

L

L

K

R

R

D

E

S

G

G

I

L

G

G

I

V

F

L

L

I

I

T

S

D

H

H

D

N

I

V

H

R

D

E

V

T

F

L

D

A

L

V

A

C

D

E

R

R

V

A

S

Y

V

I

M

V

K

S

N

Q

G

G

Q

H

V

L

V

I

G

A

H

H

A

G

R

T

T

P

E

T

D

E

V

I

T

L

K

Q

D

D

E

E

V

H

L

V

G

K

M

R

I

V

I

Y

M

L

G

G

K

E

binding 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione: R90 (≠ Q90), M133 (≠ V144), G134 (vs. gap), Q135 (≠ K145)

6s8gA Cryo-em structure of lptb2fgc in complex with amp-pnp (see paper)
27% identity, 90% coverage: 12:246/261 of query aligns to 6:236/238 of 6s8gA

query
sites
6s8gA

K

K

N

N

I

L

S

A

I

K

S

A

F
x
Y

G

K

G

G

I
x
R

H

R

A

V

V

V

D

E

D

D

A

V

S

S

V

L

D

T

L

V

Y

N

P

S

G

G

E

E

V

I

V

V

A

G

L

L

L

L

G

G

H

P

N
|
N

G

G

A

A

G
|
G

K
|
K

S
x
T

T
|
T

L

T

I

F

K

Y

I

M

L

V

S

V

G

G

A

I

Y

V

K

P

R

R

D

D

A

A

G

G

E

N

I

I

L

I

I

I

N

D

G

D

E

D

P

D

A

I

E

S

I

L

N

L

N

P

P

L

R

H

D

A

A

R

K

A

K

R

Y

R

G

G

I

I

-

G

-

Y

-

L

-

P

-
x
Q

-

E

E

A

T

S

I

I

Y

F

Q

R

T

R

L

L

A

S

V

V

A

Y

D

D

N

N

V

L

D

M

A

A

A

V

A

L

N

Q

L

I

Y

R

L

-

G

-

R

-

E

-

L

-

R

-

T

-

P

-

W

-

G

-

T

-

L

-

D

D

D

D

V

L

A

S

M

A

E

E

A

Q

K

R

-

E

-

D

-

R

A

A

R

N

E

E

V

L

M

M

G

E

R

E

L

F

N

H

P

-

N

-

F

I

Q

E

R

H

F

L

K

R

E

D

P

S

V

M

-

G

K

Q

A
x
S

L

L

S
|
S

G

G

G

G

Q
x
E

R

R

Q

R

S

R

V

V

A

E

I

I

A

A

R

R

A

A

I

L

L

A

F

A

D

N

A

P

R

K

I

F

L

I

I

L

M

L

D

D

E

E

P

P

T

F

A

A

A

G

L

V

G

D

P

P

Q

I

E

S

T

V

A

I

Q

D

V

I

G

K

E

R

L

I

I

I

K

E

Q

H

L

L

K

R

R

D

E

S

G

G

I

L

G

G

I

V

F

L

L

I

I

T

S

D

H

H

D

N

I

V

H

R

D

E

V

T

F

L

D

A

L

V

A

C

D

E

R

R

V

A

S

Y

V

I

M

V

K

S

N

Q

G

G

Q

H

V

L

V

I

G

A

H

H

A

G

R

T

T

P

E

T

D

E

V

I

T

L

K

Q

D

D

E

E

V

H

L

V

G

K

M

R

I

V

I

Y

M

L

G

G

K

E

binding phosphoaminophosphonic acid-adenylate ester: Y12 (≠ F18), R15 (≠ I21), N37 (= N43), G40 (= G46), K41 (= K47), T42 (≠ S48), T43 (= T49), Q84 (vs. gap), S136 (≠ A146), S138 (= S148), E141 (≠ Q151)

6mhzA Vanadate trapped cryo-em structure of e.Coli lptb2fg transporter (see paper)
27% identity, 90% coverage: 12:245/261 of query aligns to 6:235/235 of 6mhzA

query
sites
6mhzA

K

K

N

N

I

L

S

A

I

K

S

A

F
x
Y

G

K

G

G

I

R

H

R

A

V

V

V

D

E

D

D

A

V

S

S

V

L

D

T

L

V

Y

N

P

S

G

G

E

E

V

I

V

V

A

G

L

L

L

L

G

G

H

P

N
|
N

G
|
G

A

A

G
|
G

K
|
K

S
x
T

T
|
T

L

T

I

F

K

Y

I

M

L

V

S

V

G

G

A

I

Y

V

K

P

R

R

D

D

A

A

G

G

E

N

I

I

L

I

I

I

N

D

G

D

E

D

P

D

A

I

E

S

I

L

N

L

N

P

P

L

R

H

D

A

A

R

K

A

K

R

Y

R

G

G

I

I

-

G

-

Y

-

L

-

P

-
x
Q

-

E

E

A

T

S

I

I

Y

F

Q

R

T

R

L

L

A

S

V

V

A

Y

D

D

N

N

V

L

D

M

A

A

A

V

A

L

N

Q

L

I

Y

R

L

-

G

-

R

-

E

-

L

-

R

-

T

-

P

-

W

-

G

-

T

-

L

-

D

D

D

D

V

L

A

S

M

A

E

E

A

Q

K

R

-

E

-

D

-

R

A

A

R

N

E

E

V

L

M

M

G

E

R

E

L

F

N

H

P

-

N

-

F

I

Q

E

R

H

F

L

K

R

E

D

P

S

V

M

-

G

K

Q

A
x
S

L

L

S
|
S

G
|
G

G
|
G

Q

E

R

R

Q

R

S

R

V

V

A

E

I

I

A

A

R

R

A

A

I

L

L

A

F

A

D

N

A

P

R

K

I

F

L

I

I

L

M

L

D

D

E
|
E

P

P

T

F

A

A

A
x
G

L

V

G

D

P

P

Q

I

E

S

T

V

A

I

Q

D

V

I

G

K

E

R

L

I

I

I

K

E

Q

H

L

L

K

R

R

D

E

S

G

G

I

L

G

G

I

V

F

L

L

I

I

T

S

D

H
|
H

D

N

I

V

H

R

D

E

V

T

F

L

D

A

L

V

A

C

D

E

R

R

V

A

S

Y

V

I

M

V

K

S

N

Q

G

G

Q

H

V

L

V

I

G

A

H

H

A

G

R

T

T

P

E

T

D

E

V

I

T

L

K

Q

D

D

E

E

V

H

L

V

G

K

M

R

I

V

I

Y

M

L

G

G

binding adp orthovanadate: Y12 (≠ F18), N37 (= N43), G38 (= G44), G40 (= G46), K41 (= K47), T42 (≠ S48), T43 (= T49), Q84 (vs. gap), S136 (≠ A146), S138 (= S148), G139 (= G149), G140 (= G150), E162 (= E172), G166 (≠ A176), H194 (= H204)

6mbnA Lptb e163q in complex with atp (see paper)
26% identity, 90% coverage: 12:246/261 of query aligns to 7:237/241 of 6mbnA

query
sites
6mbnA

K

K

N

N

I

L

S

A

I

K

S

A

F
x
Y

G

K

G

G

I
x
R

H

R

A
x
V

V

V

D

E

D

D

A

V

S

S

V

L

D

T

L

V

Y

N

P

S

G

G

E

E

V

I

V

V

A

G

L

L

L

L

G

G

H

P

N
|
N

G
|
G

A

A

G
|
G

K
|
K

S
x
T

T
|
T

L

T

I

F

K

Y

I

M

L

V

S

V

G

G

A

I

Y

V

K

P

R

R

D

D

A

A

G

G

E

N

I

I

L

I

I

I

N

D

G

D

E

D

P

D

A

I

E

S

I

L

N

L

N

P

P

L

R

H

D

A

A

R

K

A

K

R

Y

R

G

G

I

I

-

G

-

Y

-

L

-

P

-

Q

-

E

E

A

T

S

I

I

Y

F

Q

R

T

R

L

L

A

S

V

V

A

Y

D

D

N

N

V

L

D

M

A

A

A

V

A

L

N

Q

L

I

Y

R

L

-

G

-

R

-

E

-

L

-

R

-

T

-

P

-

W

-

G

-

T

-

L

-

D

D

D

D

V

L

A

S

M

A

E

E

A

Q

K

R

-

E

-

D

-

R

A

A

R

N

E

E

V

L

M

M

G

E

R

E

L

F

N

H

P

-

N

-

F

I

Q

E

R

H

F

L

K

R

E

D

P

S

V

M

-

G

K

Q

A

S

L

L

S

S

G

G

G

G

Q

E

R

R

Q

R

S

R

V

V

A

E

I

I

A

A

R

R

A

A

I

L

L

A

F

A

D

N

A

P

R

K

I

F

L

I

I

L

M

L

D

D

E

Q

P

P

T

F

A

A

A

G

L

V

G

D

P

P

Q

I

E

S

T

V

A

I

Q

D

V

I

G

K

E

R

L

I

I

I

K

E

Q

H

L

L

K

R

R

D

E

S

G

G

I

L

G

G

I

V

F

L

L

I

I

T

S

D

H
|
H

D

N

I

V

H

R

D

E

V

T

F

L

D

A

L

V

A

C

D

E

R

R

V

A

S

Y

V

I

M

V

K

S

N

Q

G

G

Q

H

V

L

V

I

G

A

H

H

A

G

R

T

T

P

E

T

D

E

V

I

T

L

K

Q

D

D

E

E

V

H

L

V

G

K

M

R

I

V

I

Y

M

L

G

G

K

E

binding adenosine-5'-triphosphate: Y13 (≠ F18), R16 (≠ I21), V18 (≠ A23), N38 (= N43), G39 (= G44), G41 (= G46), K42 (= K47), T43 (≠ S48), T44 (= T49), H195 (= H204)

4yerA Crystal structure of an abc transporter atp-binding protein (tm_1403) from thermotoga maritima msb8 at 2.35 a resolution
30% identity, 84% coverage: 8:225/261 of query aligns to 4:215/285 of 4yerA

query
sites
4yerA

L

I

V

I

E

V

M

V

K

E

N

N

I

L

S

V

I

K

S

K

F
|
F

G

G

G

D

I
x
F

H

E

A

A

V

V

D

K

D

G

A

V

S

S

V

F

D

S

L

V

Y

K

P

K

G

G

E

E

V

I

V

F

A

A

L

F

L

L

G

G

H

P

N
|
N

G
|
G

A

A

G
|
G

K
|
K

S
x
T

T
|
T

L

T

I

I

K

H

I

M

L

L

S

T

G

T

A

L

Y

L

K

K

R

P

D

T

A

S

G

G

E

K

I

A

L

W

I

V

N

A

G

G

E

H

P

D

A

V

E

-

I

L

N

K

N

E

P

P

R

R

D

E

A

V

K

R

K

R

Y

-

G

K

I

I

E

G

T

I

I

V

Y

F

Q

Q

T

D

L

Q

A

S

V

L

A

D

D

R

N

E

V

L

D

T

A

A

A

Y

A

E

N

N

L

M

Y

Y

L

I

G

H

R

G

E

K

L

I

R

Y

T

G

P

Y

W

G

G

G

T

E

L

-

D

-

D

-

V

-

A

-

M

-

E

K

A

L

K

K

A

K

R

R

E

I

V

L

M

E

G

L

R

L

L

E

N

F

P

V

N

E

F

L

Q

L

R

E

F

F

K

K

E

D

-

K

P

P

V

V

K

K

A
x
T

L
x
F

S
|
S

G

G

G

G

Q

M

R

A

Q

R

S

R

V

L

A

E

I

I

A

A

R

R

A

S

I

L

L

I

F

H

D

E

A

P

R

E

I

V

L

L

I

F

M

L

D

D

E

E

P

P

T

T

A

I

A

G

L

L

G

D

P

P

Q

H

E

T

T

R

A

A

Q

H

V

M

G

W

E

E

L

Y

I

I

K

S

Q

K

L

M

K

K

R

K

E

E

-

H

G

N

I

M

G

T

I

I

F

F

L

L

I

T

S

T

H

H

D

Y

I

M

H

D

D

E

V

A

F

E

D

Q

L

L

A

A

D

D

R

R

V

V

S

A

V

I

M

I

K

D

N

H

G

G

Q

K

V

I

V

I

binding adenosine-5'-diphosphate: F14 (= F18), F17 (≠ I21), N39 (= N43), G40 (= G44), G42 (= G46), K43 (= K47), T44 (≠ S48), T45 (= T49), T135 (≠ A146), F136 (≠ L147), S137 (= S148)

6b8bA E. Coli lptb in complex with adp and a novobiocin derivative (see paper)
27% identity, 87% coverage: 12:237/261 of query aligns to 6:227/233 of 6b8bA

query
sites
6b8bA

K

K

N

N

I

L

S

A

I

K

S

A

F
x
Y

G

K

G

G

I
x
R

H

R

A
x
V

V

V

D

E

D

D

A

V

S

S

V

L

D

T

L

V

Y

N

P

S

G

G

E

E

V

I

V

V

A

G

L

L

L

L

G

G

H

P

N

N

G
|
G

A

A

G
|
G

K
|
K

S
x
T

T
|
T

L

T

I

F

K

Y

I

M

L

V

S

V

G

G

A

I

Y

V

K

P

R

R

D

D

A

A

G

G

E

N

I

I

L

I

I

I

N

D

G

D

E

D

P

D

A

I

E

S

I

L

N

L

N

P

P

L

R

H

D

A

A

R

K

A

K

R

Y

R

G

G

I

I

-

G

-

Y

-

L

-

P

-

Q

-

E

E

A

T

S

I

I

Y
x
F

Q
x
R

T
x
R

L

L

A

S

V

V

A

Y

D

D

N

N

V

L

D

M

A

A

A

V

A

L

N

Q

L

I

Y

R

L

-

G

-

R

-

E

-

L

-

R

-

T

-

P

-

W

-

G

-

T

-

L

-

D

D

D

D

V

L

A

S

M

A

E

E

A

Q

K

R

-

E

-

D

-

R

A

A

R

N

E

E

V

L

M

M

G

E

R

E

L

F

N

H

P

-

N

-

F

I

Q

E

R

H

F

L

K

R

E

D

P

S

V

M

-

G

K

Q

A

S

L

L

S

S

G

G

G

G

Q

E

R

R

Q

R

S

R

V

V

A

E

I

I

A

A

R

R

A

A

I

L

L

A

F

A

D

N

A

P

R

K

I

F

L

I

I

L

M

L

D

D

E

E

P

P

T

F

A

A

A

G

L

V

G

D

P

P

Q

I

E

S

T

V

A

I

Q

D

V

I

G

K

E

R

L

I

I

I

K

E

Q

H

L

L

K

R

R

D

E

S

G

G

I

L

G

G

I

V

F

L

L

I

I

T

S

D

H

H

D

N

I

V

H

R

D

E

V

T

F

L

D

A

L

V

A

C

D

E

R

R

V

A

S

Y

V

I

M

V

K

S

N

Q

G

G

Q

H

V

L

V

I

G

A

H

H

A

G

R

T

T

P

E

T

D

E

V

I

T

L

K

Q

D

D

E

E

binding adenosine-5'-diphosphate: Y12 (≠ F18), R15 (≠ I21), V17 (≠ A23), G38 (= G44), G40 (= G46), K41 (= K47), T42 (≠ S48), T43 (= T49)
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 (≠ Y89), R90 (≠ Q90), R91 (≠ T91)

6b89A E. Coli lptb in complex with adp and novobiocin (see paper)
27% identity, 87% coverage: 12:237/261 of query aligns to 6:227/234 of 6b89A

query
sites
6b89A

K

K

N

N

I

L

S

A

I

K

S

A

F
x
Y

G

K

G

G

I
x
R

H

R

A
x
V

V

V

D

E

D

D

A

V

S

S

V

L

D

T

L

V

Y

N

P

S

G

G

E

E

V

I

V

V

A

G

L

L

L

L

G

G

H

P

N
|
N

G
|
G

A

A

G
|
G

K
|
K

S
x
T

T
|
T

L

T

I

F

K

Y

I

M

L

V

S

V

G

G

A

I

Y

V

K

P

R

R

D

D

A

A

G

G

E

N

I

I

L

I

I

I

N

D

G

D

E

D

P

D

A

I

E

S

I

L

N

L

N

P

P
x
L

R
x
H

D

A

A

R

K

A

K

R

Y

R

G

G

I

I

-

G

-

Y

-

L

-
x
P

-
x
Q

-

E

E
x
A

T
x
S

I

I

Y
x
F

Q
x
R

T
x
R

L
|
L

A

S

V

V

A

Y

D

D

N

N

V

L

D

M

A

A

A
x
V

A

L

N

Q

L

I

Y

R

L

-

G

-

R

-

E

-

L

-

R

-

T

-

P

-

W

-

G

-

T

-

L

-

D

D

D

D

V

L

A

S

M

A

E

E

A

Q

K

R

-

E

-

D

-

R

A

A

R

N

E

E

V

L

M

M

G

E

R

E

L

F

N

H

P

-

N

-

F

I

Q

E

R

H

F

L

K

R

E

D

P

S

V

M

-

G

K
x
Q

A

S

L

L

S

S

G

G

G

G

Q

E

R

R

Q

R

S

R

V

V

A

E

I

I

A

A

R
|
R

A

A

I

L

L

A

F

A

D

N

A

P

R

K

I

F

L

I

I

L

M

L

D

D

E

E

P

P

T

F

A

A

A

G

L

V

G

D

P

P

Q

I

E

S

T

V

A

I

Q

D

V

I

G

K

E

R

L

I

I

I

K

E

Q

H

L

L

K

R

R

D

E

S

G

G

I

L

G

G

I

V

F

L

L

I

I

T

S

D

H

H

D

N

I

V

H

R

D

E

V

T

F

L

D

A

L

V

A

C

D

E

R

R

V

A

S

Y

V

I

M

V

K

S

N

Q

G

G

Q

H

V

L

V

I

G

A

H

H

A

G

R

T

T

P

E

T

D

E

V

I

T

L

K

Q

D

D

E

E

binding adenosine-5'-diphosphate: Y12 (≠ F18), R15 (≠ I21), V17 (≠ A23), N37 (= N43), G38 (= G44), G40 (= G46), K41 (= K47), T42 (≠ S48), T43 (= T49)
binding magnesium ion: T42 (≠ S48), Q84 (vs. gap)
binding novobiocin: L71 (≠ P77), H72 (≠ R78), P83 (vs. gap), A86 (≠ E86), S87 (≠ T87), F89 (≠ Y89), R90 (≠ Q90), R91 (≠ T91), L92 (= L92), V101 (≠ A101), Q135 (≠ K145), R149 (= R159)

4p31A Crystal structure of a selenomethionine derivative of e. Coli lptb in complex with adp-magensium (see paper)
27% identity, 87% coverage: 12:237/261 of query aligns to 6:227/234 of 4p31A

query
sites
4p31A

K

K

N

N

I

L

S

A

I

K

S

A

F
x
Y

G

K

G

G

I
x
R

H

R

A
x
V

V

V

D

E

D

D

A

V

S

S

V

L

D

T

L

V

Y

N

P

S

G

G

E

E

V

I

V

V

A

G

L

L

L

L

G

G

H

P

N

N

G
|
G

A

A

G
|
G

K
|
K

S
x
T

T
|
T

L

T

I

F

K

Y

I

M

L

V

S

V

G

G

A

I

Y

V

K

P

R

R

D

D

A

A

G

G

E

N

I

I

L

I

I

I

N

D

G

D

E

D

P

D

A

I

E

S

I

L

N

L

N

P

P

L

R

H

D

A

A

R

K

A

K

R

Y

R

G

G

I

I

-

G

-

Y

-

L

-

P

-
x
Q

-

E

E

A

T

S

I

I

Y

F

Q

R

T

R

L

L

A

S

V

V

A

Y

D

D

N

N

V

L

D

M

A

A

A

V

A

L

N

Q

L

I

Y

R

L

-

G

-

R

-

E

-

L

-

R

-

T

-

P

-

W

-

G

-

T

-

L

-

D

D

D

D

V

L

A

S

M

A

E

E

A

Q

K

R

-

E

-

D

-

R

A

A

R

N

E

E

V

L

M

M

G

E

R

E

L

F

N

H

P

-

N

-

F

I

Q

E

R

H

F

L

K

R

E

D

P

S

V

M

-

G

K

Q

A

S

L

L

S

S

G

G

G

G

Q

E

R

R

Q

R

S

R

V

V

A

E

I

I

A

A

R

R

A

A

I

L

L

A

F

A

D

N

A

P

R

K

I

F

L

I

I

L

M

L

D

D

E

E

P

P

T

F

A

A

A

G

L

V

G

D

P

P

Q

I

E

S

T

V

A

I

Q

D

V

I

G

K

E

R

L

I

I

I

K

E

Q

H

L

L

K

R

R

D

E

S

G

G

I

L

G

G