SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_092684173.1 NCBI__GCF_900110435.1:WP_092684173.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

P07821 Iron(3+)-hydroxamate import ATP-binding protein FhuC; Ferric hydroxamate uptake protein C; Ferrichrome transport ATP-binding protein FhuC; Iron(III)-hydroxamate import ATP-binding protein FhuC; EC 7.2.2.16 from Escherichia coli (strain K12) (see 2 papers)
37% identity, 90% coverage: 7:241/260 of query aligns to 12:247/265 of P07821

query
sites
P07821

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K50 (= K45) mutation to Q: Lack of activity.
D172 (= D167) mutation to E: Lack of activity.
E173 (= E168) mutation to A: Lack of activity.

O65934 ABC transporter ATP-binding/permease protein Rv1747; EC 7.-.-.- from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 3 papers)
35% identity, 89% coverage: 9:240/260 of query aligns to 321:554/865 of O65934

query
sites
O65934

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E479 (= E168) mutation to Q: Loss of ATPase activity.

Sites not aligning to the query:

33 R→A: Strong decrease in phosphorylation.
47 S→A: Strong decrease in phosphorylation. Lack of interaction with PknF. Attenuates growth in macrophages.
69 N→A: Strong decrease in phosphorylation.
152 modified: Phosphothreonine; T→A: Lack of phosphorylation. Attenuates growth in macrophages and in mice; when associated with A-210.
210 modified: Phosphothreonine; T→A: Lack of phosphorylation. Attenuates growth in macrophages and in mice; when associated with A-152.
234 R→A: Strong decrease in phosphorylation.
248 S→A: Strong decrease in phosphorylation. Decreases interaction with PknF.
270 N→A: Strong decrease in phosphorylation.

7ahhC Opua inhibited inward-facing, sbd docked (see paper)
32% identity, 87% coverage: 10:234/260 of query aligns to 30:255/382 of 7ahhC

query
sites
7ahhC

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binding phosphoaminophosphonic acid-adenylate ester: T39 (≠ R19), V40 (≠ E20), G41 (≠ V21), G62 (= G42), G64 (= G44), K65 (= K45), D187 (= D167), E188 (= E168)

Sites not aligning to the query:

7aheC Opua inhibited inward facing (see paper)
32% identity, 87% coverage: 10:234/260 of query aligns to 30:255/382 of 7aheC

query
sites
7aheC

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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

4ymuJ Crystal structure of an amino acid abc transporter complex with arginines and atps (see paper)
30% identity, 85% coverage: 9:230/260 of query aligns to 4:224/240 of 4ymuJ

query
sites
4ymuJ

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F

binding adenosine-5'-triphosphate: F11 (≠ L16), V16 (= V21), S36 (= S41), G37 (= G42), S38 (≠ A43), G39 (= G44), K40 (= K45), S41 (≠ T46), T42 (= T47), E162 (= E168), H194 (= H200)
binding magnesium ion: S41 (≠ T46), E162 (= E168)

7ahdC Opua (e190q) occluded (see paper)
32% identity, 87% coverage: 10:234/260 of query aligns to 30:255/260 of 7ahdC

query
sites
7ahdC

N

N

G

E

L

I

C

L

V

K

R

K

L

T

G

G

G

A

R
x
T

E

V

V

G

V

V

R

Y

D

D

V

T

S

N

F

F

S

E

L

I

P

N

R

E

G

G

C

E

I

I

A

F

A

V

M

I

V

M

G

G

P

L

S
|
S

G
|
G

A

S

G
|
G

K
|
K

T
x
S

T
|
T

L

L

R

R

A

L

L

L

A

N

G

R

L

L

V

I

-

E

P

P

S

T

R

S

G

G

R

K

I

I

L

F

I

I

G

D

G

N

E

Q

D

D

V

V

G

A

R

T

M

L

-

N

-

K

-

E

-

D

-

L

P

Q

V

V

R

R

R

K

A

T

R

M

H

S

L

M

A

V

Y

F

V
x
Q

P

N

Q

F

G

G

-

L

-

F

-

P

-

H

-

R

-

T

-

I

-

L

E

E

A

N

V

T

H

E

W

Y

P

G

L

L

P

E

V

V

Q

Q

D

N

V

V

V

-

A

-

L

-

G

-

R

-

Y

-

P

-

H

-

G

-

S

P

A

K

D

E

P

E

R

R

L

K

G

R

A

A

G

-

D

-

I

-

E

-

A

-

V

-

D

E

R

K

A

A

L

L

D

D

E

N

V

A

E

N

L

L

R

L

P

D

M

F

K

K

D

D

R

Q

R

Y

V

P

T
x
K

E
x
Q

L

L

S
|
S

G

G

G
|
G

E
x
M

R

Q

R

R

V

V

A

G

I

L

A

A

R

R

A

A

L

L

S

A

T

N

G

D

A

P

P

E

I

I

L

L

A

M

D

D

E
x
Q

P

A

I

F

A

S

S

A

L

L

D

D

P

P

Y

L

F

I

Q

R

L

R

S

E

V

M

M

Q

-

D

A

E

L

L

Q

E

R

L

Q

Q

A

A

R

K

A

F

G

Q

A

K

L

T

V

I

I

I

V

F

V

V

T

S

H
|
H

D

D

I

L

G

N

L

E

A

A

A

L

R

R

F

I

A

G

D

D

Q

R

I

I

L

A

M

I

L

M

R

K

D

D

G

G

H

K

L

I

A

M

A

Q

M

I

G

G

P

T

P

G

N

E

A

E

V

I

L

L

A

T

P

N

P

P

S

A

binding adenosine-5'-triphosphate: T39 (≠ R19), S61 (= S41), G62 (= G42), G64 (= G44), K65 (= K45), S66 (≠ T46), T67 (= T47), Q111 (≠ V84), K161 (≠ T141), Q162 (≠ E142), S164 (= S144), G166 (= G146), M167 (≠ E147), Q188 (≠ E168), H221 (= H200)

Sites not aligning to the query:

binding adenosine-5'-triphosphate: 12

P0A9R7 Cell division ATP-binding protein FtsE from Escherichia coli (strain K12) (see paper)
36% identity, 79% coverage: 16:220/260 of query aligns to 12:215/222 of P0A9R7

query
sites
P0A9R7

L

L

G

G

R

R

E

Q

V

A

V

L

R

Q

D

G

V

V

S

T

F

F

S

H

L

M

P

Q

R

P

G

G

C

E

I

M

A

A

A

F

M

L

V

T

G

G

P

H

S

S

G

G

A

A

G

G

K
|
K

T

S

T

T

L

L

R

K

A

L

L

I

A
x
C

G

G

L

I

V

E

-

R

P

P

S

S

R

A

G

G

R

K

I

I

L

W

I

F

G

S

G

G

E

H

D

D

V

I

G

T

R

R

M

L

P

K

V

N

R

R

R

E

-

V

-

P

-

F

R

L

A

R

R

R

H

Q

L

I

A

G

Y

M

V

I

P

F

Q

Q

G

D

E

H

A

H

V

L

H

L

W

M

P

D

L

R

P

T

V

V

Q

Y

D

D

V

N

V

V

A

A

L

I

G

P

R

L

Y

I

P

I

H

A

G

G

S

A

A

S

-

G

-

D

D

D

P

I

R

R

L

-

G

-

A

-

G

-

D

-

I

-

E

-

A

R

V

V

D

S

R

A

A

A

L

L

D

D

E

K

V

V

E

G

L

L

R

L

P

D

M

K

K

A

D

K

R

N

R

F

V

P

T

I

E

Q

L

L

S

S

G

G

E

E

R

Q

R

R

V

V

A

G

I

I

A

A

R

R

A

A

L

V

S

V

T

N

G

K

A

P

P

A

I

V

L

L

A

A

D

D

E

E

P

P

I

T

A

G

S

N

L

L

D

D

P

D

Y

A

F

L

Q

S

L

E

S

G

V

I

M

L

A

R

L

L

L

F

Q

E

R

E

Q

F

A

N

R

R

A

V

G

G

A

V

L

T

V

V

I

L

V

M

V

A

T

T

H

H

D

D

I

I

G

N

L

L

A

I

A

S

R

R

F

R

A

S

D

Y

Q

R

I

M

L

L

M

T

L

L

R

S

D

D

G

G

H

H

L

L

K41 (= K45) mutation to R: Does not bind ATP.
C49 (≠ A53) mutation to A: Prevents dimer formation. Does not alter ATP-binding.

8w6iD Cryo-em structure of escherichia coli str k12 ftsex complex with atp- gamma-s in peptidisc
36% identity, 79% coverage: 16:220/260 of query aligns to 12:215/219 of 8w6iD

query
sites
8w6iD

L

L

G

G

R

R

E

Q

V

A

V

L

R

Q

D

G

V

V

S

T

F

F

S

H

L

M

P

Q

R

P

G

G

C

E

I

M

A

A

A

F

M

L

V

T

G

G

P

H

S
|
S

G
|
G

A
|
A

G
|
G

K
|
K

T
x
S

T
|
T

L

L

R

K

A

L

L

I

A

C

G

G

L

I

V

E

-

R

P

P

S

S

R

A

G

G

R

K

I

I

L

W

I

F

G

S

G

G

E

H

D

D

V

I

G

T

R

R

M

L

P

K

V

N

R

R

R

E

-

V

-

P

-

F

R

L

A

R

R

R

H

Q

L

I

A

G

Y

M

V

I

P

F

Q
|
Q

G

D

E

H

A

H

V

L

H

L

W

M

P

D

L

R

P

T

V

V

Q

Y

D

D

V

N

V

V

A

A

L

I

G

P

R

L

Y

I

P

I

H

A

G

G

S

A

A

S

-

G

-

D

D

D

P

I

R

R

L

-

G

-

A

-

G

-

D

-

I

-

E

-

A

R

V

V

D

S

R

A

A

A

L

L

D

D

E

K

V

V

E

G

L

L

R

L

P

D

M
x
K

K

A

D

K

R

N

R

F

V

P

T

I

E
x
Q

L

L

S
|
S

G
|
G

E
|
E

R

Q

R

R

V

V

A

G

I

I

A

A

R

R

A

A

L

V

S

V

T

N

G

K

A

P

P

A

I

V

L

L

A

A

D

D

E

E

P

P

I

T

A

G

S

N

L

L

D

D

P

D

Y

A

F

L

Q

S

L

E

S

G

V

I

M

L

A

R

L

L

L

F

Q

E

R

E

Q

F

A

N

R

R

A

V

G

G

A

V

L

T

V

V

I

L

V

M

V

A

T

T

H
|
H

D

D

I

I

G

N

L

L

A

I

A

S

R

R

F

R

A

S

D

Y

Q

R

I

M

L

L

M

T

L

L

R

S

D

D

G

G

H

H

L

L

binding phosphothiophosphoric acid-adenylate ester: S37 (= S41), G38 (= G42), A39 (= A43), G40 (= G44), K41 (= K45), S42 (≠ T46), T43 (= T47), Q86 (= Q86), K130 (≠ M135), Q137 (≠ E142), S139 (= S144), G140 (= G145), G141 (= G146), E142 (= E147), H195 (= H200)

Sites not aligning to the query:

binding phosphothiophosphoric acid-adenylate ester: 11

3d31A Modbc from methanosarcina acetivorans (see paper)
33% identity, 86% coverage: 24:246/260 of query aligns to 18:232/348 of 3d31A

query
sites
3d31A

D

N

V

L

S

S

F

L

S

K

L

V

P

E

R

S

G

G

C

E

I

Y

A

F

A

V

M

I

V

L

G

G

P

P

S

T

G

G

A

A

G

G

K

K

T

T

T

L

L

F

L

L

R

E

A

L

L

I

A

A

G

G

L

F

-

H

V

V

P

P

S

D

R

S

G

G

R

R

I

I

L

L

I

L

G

D

G

G

E

K

D

D

V

V

G

T

R

D

M

L

P

S

V

P

R

E

R

K

R

H

A

-

R

-

H

D

L

I

A

A

Y

F

V

V

P

Y

Q

Q

G

N

E

Y

A

S

V

L

H

F

W

P

P

H

L

M

P

N

V

V

Q

K

D

K

V

N

V

L

A

E

L

F

G

G

R

M

Y

R

P

M

H

K

G

K

S

I

A

K

D

D

P

P

R

K

R

R

L

V

G

-

A

-

G

-

D

-

I

-

E

-

A

-

V

L

D

D

R

T

A

A

L

R

D

D

E

-

V

L

E

K

L

I

R

E

P

H

M

L

K

L

D

D

R

R

R

N

V

P

T

L

E

T

L

L

S

S

G

G

E

E

R

Q

R

R

V

V

A

A

I

L

A

A

R

R

A

A

L

L

S

V

T

T

G

N

A

P

P

K

I

I

L

L

A

L

D

D

E

E

P

P

I

L

A

S

S

A

L

L

D

D

P

P

Y

R

F

T

Q

Q

L

E

S

N

V

A

M

R

A

E

L

M

L

L

Q

S

R

V

Q

L

A

H

R

K

A

K

G

N

A

K

L

L

V

T

I

V

V

L

-

H

V

I

T

T

H

H

D

D

I

Q

G

T

L

E

A

A

A

R

R

I

F

M

A

A

D

D

Q

R

I

I

L

A

M

V

L

V

R

M

D

D

G

G

H

K

L

L

A

I

A

Q

M

V

G

G

P

K

P

P

N

E

A

E

V

I

L

F

A

E

P

K

P

P

S

V

L

E

A

G

E

R

V

V

F

A

S

S

I

F

D

V

A

G

Y

F

R

E

S

N

Sites not aligning to the query:

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

8hd0A Cell divisome spg hydrolysis machinery ftsex-envc
36% identity, 79% coverage: 16:220/260 of query aligns to 12:215/218 of 8hd0A

query
sites
8hd0A

L

L

G

G

R
|
R

E

Q

V
x
A

V

L

R

Q

D

G

V

V

S

T

F

F

S

H

L

M

P

Q

R

P

G

G

C

E

I

M

A

A

A

F

M

L

V

T

G

G

P

H

S

S

G

G

A

A

G
|
G

K
|
K

T
x
S

T
|
T

L

L

R

K

A

L

L

I

A

C

G

G

L

I

V

E

-

R

P

P

S

S

R

A

G

G

R

K

I

I

L

W

I

F

G

S

G

G

E

H

D

D

V

I

G

T

R

R

M

L

P

K

V

N

R

R

R

E

-

V

-

P

-

F

R

L

A

R

R

R

H

Q

L

I

A

G

Y

M

V

I

P

F

Q

Q

G

D

E

H

A

H

V

L

H

L

W

M

P

D

L

R

P

T

V

V

Q

Y

D

D

V

N

V

V

A

A

L

I

G

P

R

L

Y

I

P

I

H

A

G

G

S

A

A

S

-

G

-

D

D

D

P

I

R

R

L

-

G

-

A

-

G

-

D

-

I

-

E

-

A

R

V

V

D

S

R

A

A

A

L

L

D

D

E

K

V

V

E

G

L

L

R

L

P

D

M

K

K

A

D

K

R

N

R

F

V

P

T

I

E

Q

L

L

S
|
S

G

G

G
|
G

E

E

R

Q

R

R

V

V

A

G

I

I

A

A

R

R

A

A

L

V

S

V

T

N

G

K

A

P

P

A

I

V

L

L

A

A

D

D

E

Q

P

P

I

T

A

G

S

N

L

L

D

D

P

D

Y

A

F

L

Q

S

L

E

S

G

V

I

M

L

A

R

L

L

L

F

Q

E

R

E

Q

F

A

N

R

R

A

V

G

G

A

V

L

T

V

V

I

L

V

M

V

A

T

T

H

H

D

D

I

I

G

N

L

L

A

I

A

S

R

R

F

R

A

S

D

Y

Q

R

I

M

L

L

M

T

L

L

R

S

D

D

G

G

H

H

L

L

binding adenosine-5'-triphosphate: R15 (= R19), A17 (≠ V21), G40 (= G44), K41 (= K45), S42 (≠ T46), T43 (= T47), S139 (= S144), G141 (= G146)

Sites not aligning to the query:

binding adenosine-5'-triphosphate: 11

P69874 Spermidine/putrescine import ATP-binding protein PotA; EC 7.6.2.11 from Escherichia coli (strain K12) (see 3 papers)
32% identity, 84% coverage: 16:234/260 of query aligns to 27:240/378 of P69874

query
sites
P69874

L
x
F

G

D

G

G

R

K

E

E

V

V

V

I

R

P

D

Q

V

L

S

D

F

L

S

T

L

I

P

N

R

N

G

G

C

E

I
x
F

A

L

A

T

M

L

V

L

G

G

P

P

S

S

G

G

A
x
C

G

G

K

K

T

T

L

V

L
|
L

R

R

A

L

L

I

A

A

G

G

L

L

-

E

V

T

P

V

S

D

R

S

G

G

R

R

I

I

L

M

I
x
L

G

D

G

N

E

E

D

D

V

I

G

T

R

H

M

V

P

P

V

A

R

E

R

N

R

R

A

-

R

-

H

Y

L

V

A

N

Y

T

V

V

P

F

Q

Q

G

S

E

Y

A

A

V

L

H

F

W

P

P

H

L

M

P

T

V

V

Q

F

D

E

V

N

V

V

A

A

L

F

G

G

-

L

-

R

-

M

-

Q

R

K

Y

T

P

P

H

A

G

A

S

E

A

I

D

T

P

P

R

R

R

-

L

-

G

-

A

-

G

-

D

-

I

-

E

-

A

-

V

V

D

M

R

E

A

A

L

L

D

R

E

M

V
|
V

E

Q

L

L

R

E

P

T

M

F

K

A

D

Q

R

R

R

K

V

P

T

H

E

Q

L

L

S

S

G

G

E

Q

R

Q

R

R

V

V

A

A

I

I

A

A

R

R

A

A

L

V

S

V

T

N

G

K

A

P

P

R

I

L

L

L

A

L

D
|
D

E

E

P

S

I

L

A

S

S

A

L

L

D

D

P

Y

Y

K

F

L

Q

R

L

K

S

Q

V

M

M

Q

A

N

L

E

L

L

Q

K

R

A

-

L

Q

Q

A

R

R

K

A

L

G

G

A

I

L

T

V

F

I

V

V

F

V

V

T

T

H

H

D

D

I

Q

G

E

L

E

A

A

A

L

R

T

F

M

A

S

D

D

Q

R

I

I

L

V

M

V

L

M

R

R

D

D

G

G

H

R

L

I

A

E

A

Q

M

D

G

G

P

T

P

P

N

R

A

E

V

I

L

Y

A

E

P

E

P

P

S

K

F27 (≠ L16) mutation to L: Lower ATPase activity and transport efficiency.
F45 (≠ I34) mutation to L: Lower ATPase activity and transport efficiency.
C54 (≠ A43) mutation to T: Loss of ATPase activity and transport.
L60 (= L49) mutation to F: Lower ATPase activity and transport efficiency.
L76 (≠ I64) mutation to P: Lower ATPase activity and transport efficiency.
V135 (= V130) mutation to M: Loss of ATPase activity and transport.
D172 (= D167) mutation to N: Loss of ATPase activity and transport.

Sites not aligning to the query:

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

7d0aB Acinetobacter mlafedb complex in adp-vanadate trapped vclose conformation (see paper)
33% identity, 93% coverage: 9:250/260 of query aligns to 7:256/263 of 7d0aB

query
sites
7d0aB

V

V

N

K

G

N

L

L

C

S

V

F

R

N

L

R

G

G

G

E

R

R

E

V

V

I

V

Y

R

D

D

N

V

I

S

S

F

L

S

N

L

I

P

R

R

R

G

G

C

Q

I

I

A

T

A

A

M

I

V

M

G

G

P

P

S
|
S

G

G

A
x
T

G
|
G

K
|
K

T

T

L

L

R

R

A

L

L

I

A

G

G

G

-

Q

L

L

V

V

P

P

S

D

R

Q

G

G

R

E

I

V

L

L

I

L

G

D

G

G

E

K

D

D

V

I

G

A

R

Q

M

M

P

S

V

R

R

Q

R

E

-

L

-

F

-

A

R

R

A

A

R

R

H

-

L

M

A

G

Y

M

V

L

P

F

Q

Q

G

S

E

G

A

A

V

L

H

F

W

T

P

D

L

M

P

S

V

V

Q

Y

D

E

V

N

V

V

A

A

L

F

G

P

R

I

Y

R

P

A

H

H

G

T

S

K

A

L

D

S

P

E

R

N

R

L

L

I

G

A

A

-

G

-

D

-

I

-

E

E

A

L

V

V

D

A

R

L

A

K

L

L

D

E

E

S

V

V

E

G

L

L

R

R

P

G

M

T

K

E

D

Q

R

L

R

M

V

P

T

T

E
|
E

L

L

S
|
S

G

G

E
x
M

R

N

R

R

V

V

A

A

I

L

A

A

R

R

A

A

L

I

S

A

T

L

G

D

A

P

P

D

I

L

L

I

L

M

A

Y

D

D

E

E

P

P

I

F

A

A

S

G

L

Q

D

D

P

P

Y

I

F

V

Q

K

L

-

S

G

V

V

M

L

A

T

L

R

L

L

Q

I

R

R

Q

S

A

L

R

R

A

E

G

A

-

L

-

D

A

L

L

T

V

T

I

I

V

I

V

V

T

S

H

H

D

D

I

V

G

P

L

E

A

T

A

L

R

S

F

I

A

A

D

D

Q

Y

I

I

L

Y

M

V

L

V

R

A

D

E

G

G

H

K

L

I

A

Q

A

G

M

E

G

G

P

T

P

P

N

E

A

E

V

L

-

Q

-

A

L

Y

A

A

P

S

P

P

S

F

L

V

A

K

E

Q

V

F

F

L

S

T

I

G

D

S

A

A

-

E

-

G

-

P

-

V

-

E

Y

Y

R

Q

S

F

S

S

H

H

E

Q

A

A

binding adenosine-5'-diphosphate: S39 (= S41), T41 (≠ A43), G42 (= G44), K43 (= K45), E140 (= E142), S142 (= S144), M145 (≠ E147)

7d08B Acinetobacter mlafedb complex in atp-bound vtrans1 conformation (see paper)
33% identity, 93% coverage: 9:250/260 of query aligns to 7:256/263 of 7d08B

query
sites
7d08B

V

V

N

K

G

N

L

L

C

S

V

F

R

N

L
x
R

G

G

G

E

R
|
R

E

V

V

I

V

Y

R

D

D

N

V

I

S

S

F

L

S

N

L

I

P

R

R

R

G

G

C

Q

I

I

A

T

A

A

M

I

V

M

G

G

P

P

S

S

G
|
G

A
x
T

G

G

K
|
K

T
|
T

L

L

R

R

A

L

L

I

A

G

G

G

-

Q

L

L

V

V

P

P

S

D

R

Q

G

G

R

E

I

V

L

L

I

L

G

D

G

G

E

K

D

D

V

I

G

A

R

Q

M

M

P

S

V

R

R

Q

R

E

-

L

-

F

-

A

R

R

A

A

R

R

H

-

L

M

A

G

Y

M

V

L

P

F

Q

Q

G

S

E

G

A

A

V

L

H

F

W

T

P

D

L

M

P

S

V

V

Q

Y

D

E

V

N

V

V

A

A

L

F

G

P

R

I

Y

R

P

A

H

H

G

T

S

K

A

L

D

S

P

E

R

N

R

L

L

I

G

A

A

-

G

-

D

-

I

-

E

E

A

L

V

V

D

A

R

L

A

K

L

L

D

E

E

S

V

V

E

G

L

L

R

R

P

G

M

T

K

E

D

Q

R

L

R

M

V

P

T

T

E

E

L

L

S

S

G

G

E

M

R

N

R

R

V

V

A

A

I

L

A

A

R

R

A

A

L

I

S

A

T

L

G

D

A

P

P

D

I

L

L

I

L

M

A

Y

D

D

E
|
E

P

P

I

F

A

A

S

G

L

Q

D

D

P

P

Y

I

F

V

Q

K

L

-

S

G

V

V

M

L

A

T

L

R

L

L

Q

I

R

R

Q

S

A

L

R

R

A

E

G

A

-

L

-

D

A

L

L

T

V

T

I

I

V

I

V

V

T

S

H

H

D

D

I

V

G

P

L

E

A

T

A

L

R

S

F

I

A

A

D

D

Q

Y

I

I

L

Y

M

V

L

V

R

A

D

E

G

G

H

K

L

I

A

Q

A

G

M

E

G

G

P

T

P

P

N

E

A

E

V

L

-

Q

-

A

L

Y

A

A

P

S

P

P

S

F

L

V

A

K

E

Q

V

F

F

L

S

T

I

G

D

S

A

A

-

E

-

G

-

P

-

V

-

E

Y

Y

R

Q

S

F

S

S

H

H

E

Q

A

A

binding adenosine-5'-triphosphate: R14 (≠ L16), R17 (= R19), G40 (= G42), T41 (≠ A43), K43 (= K45), T44 (= T46), T45 (= T47), E166 (= E168)

1vciA Crystal structure of the atp-binding cassette of multisugar transporter from pyrococcus horikoshii ot3 complexed with atp (see paper)
31% identity, 88% coverage: 6:234/260 of query aligns to 6:221/353 of 1vciA

query
sites
1vciA

D

E

F

V

A

K

V

L

N

E

G

N

L

L

C

T

V

K

R

R

L
x
F

G

G

G

N

R
x
F

E

T

V

A

V

V

R

N

D

K

V

L

S

N

F

L

S

T

L

I

P

K

R

D

G

G

C

E

I

F

A

L

A

V

M

L

V

L

G

G

P

P

S
|
S

G
|
G

A

C

G
|
G

K
|
K

T
|
T

L

T

L

L

R

R

A

M

L

I

A

A

G

G

L

L

V

E

-

E

P

P

S

T

R

E

G

G

R

R

I

I

L

Y

I

F

G

G

G

D

E

R

D

D

V

V

G

T

R

Y

M

L

P

P

V

-

R

-

R

P

R

K

A

D

R

R

H

N

L

I

A

S

Y

M

V

V

P

F

Q

Q

G

H

E

M

A

T

V

V

H

Y

W

E

P

N

L

I

P

-

V

-

Q

-

D

-

V

A

V

F

A

P

L

L

G

K

R

K

Y

F

P

P

H

K

G

D

S

E

A

I

D

D

P

K

R

R

R

V

L

R

G

W

A

A

G

A

D

E

I

L

E

L

A

Q

V

I

D

E

R

E

A

L

L

L

D

N

E

-

V

-

E

-

L

-

R

-

P

-

M

-

K

-

D

-

R

R

R

Y

V

P

T

A

E

Q

L

L

S

S

G

G

E

Q

R

R

R

Q

R

R

V

V

A

A

I

V

A

A

R

R

A

A

L

I

S

V

T

V

G

E

A

P

P

D

I

V

L

L

A

M

D

D

E

E

P

P

I

L

A

S

S

N

L

L

D

D

P

A

Y

K

F

L

Q

R

L

V

S

A

V

M

M

R

A

A

L

E

L

I

Q

K

R

K

-

L

Q

Q

A

Q

R

K

A

L

G

K

A

V

L

T

V

T

I

I

V

Y

V

V

T

T

H

H

D

D

I

Q

G

V

L

E

A

A

A

M

R

T

F

M

A

G

D

D

Q

R

I

I

L

A

M

V

L

M

R

N

D

R

G

G

H

Q

L

L

A

L

A

Q

M

I

G

G

P

S

P

P

N

T

A

E

V

V

L

Y

A

L

P

R

P

P

S

N

binding adenosine-5'-triphosphate: F16 (≠ L16), F19 (≠ R19), S41 (= S41), G42 (= G42), G44 (= G44), K45 (= K45), T46 (= T46), T47 (= T47)

6z5uK Cryo-em structure of the a. Baumannii mlabdef complex bound to appnhp (see paper)
33% identity, 93% coverage: 9:249/260 of query aligns to 5:253/253 of 6z5uK

query
sites
6z5uK

V

V

N

K

G

N

L

L

C

S

V

F

R

N

L
x
R

G

G

G

E

R

R

E

V

V

I

V

Y

R

D

D

N

V

I

S

S

F

L

S

N

L

I

P

R

R

R

G

G

C

Q

I

I

A

T

A

A

M

I

V

M

G

G

P

P

S
|
S

G
|
G

A

T

G
|
G

K
|
K

T
|
T

L

L

R

R

A

L

L

I

A

G

G

G

-

Q

L

L

V

V

P

P

S

D

R

Q

G

G

R

E

I

V

L

L

I

L

G

D

G

G

E

K

D

D

V

I

G

A

R

Q

M

M

P

S

V

R

R

Q

R

E

-

L

-

F

-

A

R

R

A

A

R

R

H

-

L

M

A

G

Y

M

V

L

P

F

Q
|
Q

G

S

E

G

A

A

V

L

H

F

W

T

P

D

L

M

P

S

V

V

Q

Y

D

E

V

N

V

V

A

A

L

F

G

P

R

I

Y

R

P

A

H

H

G

T

S

K

A

L

D

S

P

E

R

N

R

L

L

I

G

A

A

-

G

-

D

-

I

-

E

E

A

L

V

V

D

A

R

L

A

K

L

L

D

E

E

S

V

V

E

G

L

L

R

R

P

G

M

T

K

E

D

Q

R

L

R

M

V

P

T

T

E

E

L

L

S

S

G

G

E

M

R

N

R

R

V

V

A

A

I

L

A

A

R

R

A

A

L

I

S

A

T

L

G

D

A

P

P

D

I

L

L

I

L

M

A

Y

D

D

E
|
E

P

P

I

F

A

A

S

G

L

Q

D

D

P

P

Y

I

F

V

Q

K

L

-

S

G

V

V

M

L

A

T

L

R

L

L

Q

I

R

R

Q

S

A

L

R

R

A

E

G

A

-

L

-

D

A

L

L

T

V

T

I

I

V

I

V

V

T

S

H
|
H

D

D

I

V

G

P

L

E

A

T

A

L

R

S

F

I

A

A

D

D

Q

Y

I

I

L

Y

M

V

L

V

R

A

D

E

G

G

H

K

L

I

A

Q

A

G

M

E

G

G

P

T

P

P

N

E

A

E

V

L

-

Q

-

A

L

Y

A

A

P

S

P

P

S

F

L

V

A

K

E

Q

V

F

F

L

S

T

I

G

D

S

A

A

-

E

-

G

-

P

-

V

-

E

Y

Y

R

Q

S

F

S

S

H

H

E

Q

binding phosphoaminophosphonic acid-adenylate ester: R12 (≠ L16), S37 (= S41), G38 (= G42), G40 (= G44), K41 (= K45), T42 (= T46), T43 (= T47), Q86 (= Q86), E164 (= E168), H197 (= H200)
binding magnesium ion: Q86 (= Q86), E164 (= E168)

6mjpA Lptb(e163q)fgc from vibrio cholerae (see paper)
29% identity, 87% coverage: 19:245/260 of query aligns to 15:239/240 of 6mjpA

query
sites
6mjpA

R

R

E

K

V

V

R

S

D

D

V

V

S

S

F

L

S

Q

L

V

P

E

R

S

G

G

C

Q

I

I

A

V

A

G

M

L

V

L

G

G

P

P

S

N

G

G

A

A

G

G

K

K

T

T

L

S

L

F

R

Y

A

M

L

I

A

V

G

G

L

L

V

V

P

A

-

R

S

D

R

E

G

G

R

T

I

I

L

T

I

I

G

D

E

N

D

D

V

I

G

S

R

I

M

L

P

P

V

M

R

H

R

S

R

R

A

S

R

R

H

M

-

G

L

I

A

G

Y

Y

V

L

P

P

Q

Q

G

E

E

A

A

S

V

I

H

F

W

R

P

K

L

L

P

S

V

V

Q

E

D

D

V

N

V

I

-

M

-

A

A

V

L

L

G

Q

R

T

Y

R

P

E

H

E

G

L

S

T

A

H

D
x
E

P

E

R

R

R

Q

L

-

G

-

A

-

G

-

D

-

I

-

E
x
D

A

K

V

L

D

E

R

D

A

L

L

L

D

E

E

E

V

F

E

H

L

I

R

Q

P

H

M

I

K

R

D

K

R

S

R

A

V

G

T

M

E

A

L

L

S

S

G

G

E

E

R

R

V

V

A

E

I

I

A

A

R

R

A

A

L

L

S

A

T

A

G

N

A

P

P

Q

I

F

L

I

L

L

A

L

D

D

E

Q

P

P

I

F

A

A

S

G

L

V

D

D

P

P

Y

I

F

S

Q

V

L

I

S

D

V

I

M

K

A

K

L

I

Q

E

R

H

Q

L

A

R

R

D

A

R

G

G

A

L

L

G

V

V

I

L

V

I

V

T

T

D

H

H

D

N

I

V

G

R

L

E

A

T

A

L

R

D

F

V

A

C

D

E

Q

K

I

A

L

Y

M

I

L

V

R

S

D

Q

G

G

H

R

L

L

A

I

A

A

M

E

G

G

P

T

P

P

N

Q

A

D

V

V

L

L

A

N

P

N

P

E

S

Q

L

V

A

K

E

Q

V

V

F

Y

S

L

I

G

D

E

A

Q

Y

F

R

R

binding calcium ion: E111 (≠ D111), D115 (≠ E121)

6s8nB Cryo-em structure of lptb2fgc in complex with lipopolysaccharide (see paper)
32% identity, 85% coverage: 18:239/260 of query aligns to 14:233/238 of 6s8nB

query
sites
6s8nB

G

G

R

R

E

R

V

V

R

E

D

D

V

V

S

S

F

L

S

T

L

V

P

N

R

S

G

G

C

E

I

I

A

V

A

G

M

L

V

L

G

G

P

P

S

N

G

G

A

A

G

G

K

K

T

T

L

T

L

F

R

Y

A

M

L

V

A

V

G

G

L

I

V

V

P

P

-

R

S

D

R

A

G

G

R

N

I

I

L

I

I

I

G

D

E

D

D

D

V

I

G

S

R

L

M

L

P

P

V

L

R

H

R

A

R

R

A

A

R

R

H

R

-

G

L

I

A

G

Y

Y

V

L

P

P

Q

Q

G

E

E

A

A

S

V

I

H

F

W
x
R

P

R

L

L

P

S

V

V

Q

Y

D

D

-

N

-

L

V

M

V

A

A

V

L

L

G

Q

R

I

Y

R

P

D

H

D

G

L

S

S

A

A

D

E

P

Q

R

R

R

E

L

D

G

R

A

A

G

N

D

E

I

L

E

-

A

-

V

-

D

-

R

-

A

-

L

M

D

E

E

E

V

F

E

H

L

I

R

E

P

H

M

L

K

R

D

D

R

S

R
x
M

V
x
G

T
x
Q

E

S

L

L

S

S

G

G

E

E

R

R

V

V

A

E

I

I

A

A

R

R

A

A

L

L

S

A

T

A

G

N

A

P

P

K

I

F

L

I

L

L

A

L

D

D

E

E

P

P

I

F

A

A

S

G

L

V

D

D

P

P

Y

I

F

S

Q

V

L

I

S

D

V

I

M

K

A

R

L

I

Q

E

R

H

Q

L

A

R

R

D

A

S

G

G

A

L

L

G

V

V

I

L

V

I

V

T

T

D

H

H

D

N

I

V

G

R

L

E

A

T

A

L

R

A

F

V

A

C

D

E

Q

R

I

A

L

Y

M

I

L

V

R

S

D

Q

G

G

H

H

L

L

A

I

A

A

M

H

G

G

P

T

P

P

N

T

A

E

V

I

L

L

A

Q

P

D

P

E

S

H

L

V

A

K

E

R

V

V

F

Y

binding 2-decyl-5,6-dimethoxy-3-methylcyclohexa-2,5-diene-1,4-dione: R90 (≠ W92), M133 (≠ R139), G134 (≠ V140), Q135 (≠ T141)

6s8gA Cryo-em structure of lptb2fgc in complex with amp-pnp (see paper)
32% identity, 85% coverage: 18:239/260 of query aligns to 14:233/238 of 6s8gA

query
sites
6s8gA

G

G

R
|
R

E

R

V

V

R

E

D

D

V

V

S

S

F

L

S

T

L

V

P

N

R

S

G

G

C

E

I

I

A

V

A

G

M

L

V

L

G

G

P

P

S
x
N

G

G

A

A

G
|
G

K
|
K

T
|
T

L

T

L

F

R

Y

A

M

L

V

A

V

G

G

L

I

V

V

P

P

-

R

S

D

R

A

G

G

R

N

I

I

L

I

I

I

G

D

E

D

D

D

V

I

G

S

R

L

M

L

P

P

V

L

R

H

R

A

R

R

A

A

R

R

H

R

-

G

L

I

A

G

Y

Y

V

L

P

P

Q
|
Q

G

E

E

A

A

S

V

I

H

F

W

R

P

R

L

L

P

S

V

V

Q

Y

D

D

-

N

-

L

V

M

V

A

A

V

L

L

G

Q

R

I

Y

R

P

D

H

D

G

L

S

S

A

A

D

E

P

Q

R

R

R

E

L

D

G

R

A

A

G

N

D

E

I

L

E

-

A

-

V

-

D

-

R

-

A

-

L

M

D

E

E

E

V

F

E

H

L

I

R

E

P

H

M

L

K

R

D

D

R

S

R

M

V

G

T

Q

E
x
S

L

L

S
|
S

G

G

E
|
E

R

R

V

V

A

E

I

I

A

A

R

R

A

A

L

L

S

A

T

A

G

N

A

P

P

K

I

F

L

I

L

L

A

L

D

D

E

E

P

P

I

F

A

A

S

G

L

V

D

D

P

P

Y

I

F

S

Q

V

L

I

S

D

V

I

M

K

A

R

L

I

Q

E

R

H

Q

L

A

R

R

D

A

S

G

G

A

L

L

G

V

V

I

L

V

I

V

T

T

D

H

H

D

N

I

V

G

R

L

E

A

T

A

L

R

A

F

V

A

C

D

E

Q

R

I

A

L

Y

M

I

L

V

R

S

D

Q

G

G

H

H

L

L

A

I

A

A

M

H

G

G

P

T

P

P

N

T

A

E

V

I

L

L

A

Q

P

D

P

E

S

H

L

V

A

K

E

R

V

V

F

Y

binding phosphoaminophosphonic acid-adenylate ester: R15 (= R19), N37 (≠ S41), G40 (= G44), K41 (= K45), T42 (= T46), T43 (= T47), Q84 (= Q86), S136 (≠ E142), S138 (= S144), E141 (= E147)

Sites not aligning to the query:

binding phosphoaminophosphonic acid-adenylate ester: 12

6b8bA E. Coli lptb in complex with adp and a novobiocin derivative (see paper)
32% identity, 85% coverage: 18:239/260 of query aligns to 14:233/233 of 6b8bA

query
sites
6b8bA

G

G

R
|
R

E

R

V
|
V

V

V

R

E

D

D

V

V

S

S

F

L

S

T

L

V

P

N

R

S

G

G

C

E

I

I

A

V

A

G

M

L

V

L

G

G

P

P

S

N

G
|
G

A

A

G
|
G

K
|
K

T
|
T

L

T

L

F

R

Y

A

M

L

V

A

V

G

G

L

I

V

V

P

P

-

R

S

D

R

A

G

G

R

N

I

I

L

I

I

I

G

D

E

D

D

D

V

I

G

S

R

L

M

L

P

P

V

L

R

H

R

A

R

R

A

A

R

R

H

R

-

G

L

I

A

G

Y

Y

V

L

P

P

Q

Q

G

E

E

A

A

S

V

I

H
x
F

W
x
R

P
x
R

L

L

P

S

V

V

Q

Y

D

D

-

N

-

L

V

M

V

A

A

V

L

L

G

Q

R

I

Y

R

P

D

H

D

G

L

S

S

A

A

D

E

P

Q

R

R

R

E

L

D

G

R

A

A

G

N

D

E

I

L

E

-

A

-

V

-

D

-

R

-

A

-

L

M

D

E

E

E

V

F

E

H

L

I

R

E

P

H

M

L

K

R

D

D

R

S

R

M

V

G

T

Q

E

S

L

L

S

S

G

G

E

E

R

R

V

V

A

E

I

I

A

A

R

R

A

A

L

L

S

A

T

A

G

N

A

P

P

K

I

F

L

I

L

L

A

L

D

D

E

E

P

P

I

F

A

A

S

G

L

V

D

D

P

P

Y

I

F

S

Q

V

L

I

S

D

V

I

M

K

A

R

L

I

Q

E

R

H

Q

L

A

R

R

D

A

S

G

G

A

L

L

G

V

V

I

L

V

I

V

T

T

D

H

H

D

N

I

V

G

R

L

E

A

T

A

L

R

A

F

V

A

C

D

E

Q

R

I

A

L

Y

M

I

L

V

R

S

D

Q

G

G

H

H

L

L

A

I

A

A

M

H

G

G

P

T

P

P

N

T

A

E

V

I

L

L

A

Q

P

D

P

E

S

H

L

V

A

K

E

R

V

V

F

Y

binding adenosine-5'-diphosphate: R15 (= R19), V17 (= V21), G38 (= G42), G40 (= G44), K41 (= K45), T42 (= T46), T43 (= T47)
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 (≠ H91), R90 (≠ W92), R91 (≠ P93)

Sites not aligning to the query:

binding adenosine-5'-diphosphate: 12

6b89A E. Coli lptb in complex with adp and novobiocin (see paper)
32% identity, 85% coverage: 18:239/260 of query aligns to 14:233/234 of 6b89A

query
sites
6b89A

G

G

R
|
R

E

R

V
|
V

V

V

R

E

D

D

V

V

S

S

F

L

S

T

L

V

P

N

R

S

G

G

C

E

I

I

A

V

A

G

M

L

V

L

G

G

P

P

S
x
N

G
|
G

A

A

G
|
G

K
|
K

T
|
T

L

T

L

F

R

Y

A

M

L

V

A

V

G

G

L

I

V

V

P

P

-

R

S

D

R

A

G

G

R

N

I

I

L

I

I

I

G

D

E

D

D

D

V

I

G

S

R

L

M

L

P

P

V
x
L

R
x
H

R

A

R

R

A

A

R

R

H

R

-

G

L

I

A

G

Y

Y

V

L

P
|
P

Q
|
Q

G

E

E
x
A

A
x
S

V

I

H
x
F

W
x
R

P
x
R

L
|
L

P

S

V

V

Q

Y

D

D

-

N

-

L

V

M

V

A

A
x
V

L

L

G

Q

R

I

Y

R

P

D

H

D