SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_111607942.1 NCBI__GCF_003259225.1:WP_111607942.1 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)

6yu6B Crystal structure of mhst in complex with l-leucine (see paper)
45% identity, 96% coverage: 8:443/452 of query aligns to 2:436/446 of 6yu6B

query
sites
6yu6B

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binding leucine: S18 (= S24), A19 (= A25), G21 (= G27), G23 (= G29), F223 (= F232), T224 (= T233), S226 (= S235), M229 (= M238), L321 (= L330)

6yu5A Crystal structure of mhst in complex with l-valine (see paper)
45% identity, 96% coverage: 8:443/452 of query aligns to 2:436/441 of 6yu5A

query
sites
6yu5A

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binding valine: S18 (= S24), A19 (= A25), G23 (= G29), Y101 (= Y111), F223 (= F232), T224 (= T233), S226 (= S235), S317 (= S326)

6yu3A Crystal structure of mhst in complex with l-phenylalanine (see paper)
45% identity, 96% coverage: 8:443/452 of query aligns to 2:436/441 of 6yu3A

query
sites
6yu3A

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V

G

V

W

K

K

D

T

K

S

F

D

A

A

K

L

D

A

E

E

L

S

E

D

T

L

S

T

D

D

T

S

I

V

Y

W

-

G

K

K

L

L

W

W

N

I

F

L

S

S

M

L

K

R

F

F

T

I

A

A

P

P

I

I

A

A

V

I

A

L

V

I

V

V

binding phenylalanine: S18 (= S24), A19 (= A25), G21 (= G27), G23 (= G29), Y101 (= Y111), F223 (= F232), T224 (= T233), S226 (= S235), M229 (= M238), L321 (= L330)

6yu2A Crystal structure of mhst in complex with l-isoleucine (see paper)
45% identity, 96% coverage: 8:443/452 of query aligns to 2:436/441 of 6yu2A

query
sites
6yu2A

Q

R

G

E

S

Q

W

W

A

A

S

S

R

R

W

L

I

G

F

F

I

I

L

L

A

A

A

A

T

M

G

G

S
|
S

A
|
A

V

V

G
|
G

L

L

G
|
G

N

N

I

I

W

W

K

R

F

F

P

S

Y

Y

I

V

T

T

G

G

E

E

N

N

G

G

G

G

G

A

A

A

F

F

V

L

L

L

V

V

Y

Y

L

L

A

G

C

F

I

I

L

A

L

L

V

I

G

G

I

I

P

P

I

I

M

V

M

L

A

A

E

E

V

F

F

T

I

I

G

G

R

R

R

R

A

A

R

Q

K

S

N

D

P

A

I

V

N

G

A

S

L

F

S

-

D

-

V

-

A

-

E

E

E

K

S

L

A

A

S

P

S

G

R

K

K

P

W

W

G

K

L

V

I

A

G

G

V

L

M

M

G

G

M

V

L

A

S

A

G

G

V

F

L

L

I

I

F

L

S

S

F

F

Y
|
Y

S

G

V

V

V

I

G

A

G

G

W

W

V

I

L

L

H

F

Y

Y

I

L

K

F

A

N

M

Y

L

I

T

T

G

G

E

Q

M

L

S

W

G

S

I

A

S

P

S

A

D

E

D

G

A

F

G

G

A

G

A

F

F

F

G

E

A

G

L

F

L

I

A

A

D

N

P

P

A

T

T

L

L

P

L

L

G

F

W

W

H

Q

T

A

L

L

F

F

S

M

I

I

M

A

T

T

V

I

V

W

V

I

V

V

A

A

A

I

G

G

I

V

N

K

K

K

G

G

I

I

E

E

T

R

A

S

T

N

R

K

I

I

M

L

M

M

P

P

A

L

L

L

F

G

V

V

L

L

L

L

I

I

I

A

L

L

L

A

G

I

Y

Y

A

S

M

L

T

T

T

L

G

G

G

G

F

A

A

K

Q

E

G

G

W

L

D

A

F

F

M

L

F

F

H

S

F

P

D

D

F

W

S

S

K

A

L

L

T

K

W

D

N

P

A

G

A

V

-

Y

L

L

I

A

A

A

L

I

G

S

H

Q

S

A

F

F

F
|
F

T

T

L

L

S

S

L

L

G

G

M
|
M

G

G

T

A

I

L

M

I

A

T

Y

Y

G

G

S

S

Y

Y

M

V

T

S

K

K

K

D

A

S

S

R

I

L

G

P

K

G

T

A

V

A

L

V

T

S

I

V

G

A

A

G

L

L

D

D

T

T

L

A

V

F

A

A

L

I

V

I

A

A

G

G

L

I

A

M

I

I

F

F

P

P

I

A

I

V

F

F

S

A

N

L

G

G

M

L

D

S

P

P

A

S

A

G

G

G

P

P

G

G

L

L

M

V

F

F

I

V

S

V

L

L

P

P

V

D

A

I

F

F

G

D

Q

S

M

I

P

R

F

L

G

G

Q

P

L

I

F

V

G

G

T

I

L

A

F

F

F

F

V

I

L

L

V

L

G

G

V

A

A

A

A

A

W

L

T

S

S
|
S

A

A

I

V

S

S

L

L

L

L

E

E

P

V

T

P

V

V

A

A

F

Y

L

F

V

M

E

R

R

K

F

F

K

D

M

W

K

S

R

R

I

K

T

Q

A

A

S

A

I

I

G

T

L

L

G

G

V

V

I

I

V

I

W

T

G

L

L

L

G

G

I

I

A

P

C

S

L

S

G

L

S

S

F

F

N

G

F

V

M

L

A

G

D

E

V

V

T

T

F

I

F

I

-

P

G

G

K

L

N

N

T

I

F

F

D

D

F

S

L

V

D

D

Y

F

I

I

T

A

A

S

N

S

I

V

M

F

L

L

P

P

L

L

G

G

G

G

I

M

L

I

I

I

A

A

L

L

F

F

A

I

G

G

W

W

V

G

V

W

K

K

D

T

K

S

F

D

A

A

K

L

D

A

E

E

L

S

E

D

T

L

S

T

D

D

T

S

I

V

Y

W

-

G

K

K

L

L

W

W

N

I

F

L

S

S

M

L

K

R

F

F

T

I

A

A

P

P

I

I

A

A

V

I

A

L

V

I

V

V

binding isoleucine: S18 (= S24), A19 (= A25), G21 (= G27), G23 (= G29), Y101 (= Y111), F223 (= F232), M229 (= M238), S317 (= S326)

4us3A Crystal structure of the bacterial nss member mhst in an occluded inward-facing state (see paper)
45% identity, 96% coverage: 8:443/452 of query aligns to 2:436/441 of 4us3A

query
sites
4us3A

Q

R

G

E

S

Q

W

W

A

A

S

S

R

R

W

L

I

G

F

F

I

I

L

L

A

A

A

A

T

M

G
|
G

S
|
S

A
|
A

V
|
V

G
|
G

L
|
L

G
|
G

N
|
N

I

I

W

W

K

R

F

F

P

S

Y

Y

I

V

T

T

G

G

E

E

N

N

G

G

G

G

G

A

A

A

F

F

V

L

L

L

V

V

Y

Y

L

L

A

G

C

F

I

I

L

A

L

L

V

I

G

G

I

I

P

P

I

I

M

V

M

L

A

A

E

E

V

F

F

T

I

I

G

G

R

R

R

R

A

A

R

Q

K

S

N

D

P

A

I

V

N

G

A

S

L

F

S

-

D

-

V

-

A

-

E

E

E

K

S

L

A

A

S

P

S

G

R

K

K

P

W

W

G

K

L

V

I

A

G

G

V

L

M

M

G

G

M

V

L

A

S

A

G

G

V

F

L

L

I

I

F

L

S

S

F

F

Y
|
Y

S

G

V

V

V

I

G

A

G

G

W

W

V

I

L

L

H

F

Y

Y

I

L

K

F

A

N

M

Y

L

I

T

T

G

G

E

Q

M

L

S

W

G

S

I

A

S

P

S

A

D

E

D

G

A

F

G

G

A

G

A

F

F

F

G

E

A

G

L

F

L

I

A

A

D

N

P

P

A

T

T

L

L

P

L

L

G

F

W

W

H

Q

T

A

L

L

F

F

S

M

I

I

M

A

T

T

V

I

V

W

V

I

V

V

A

A

A

I

G

G

I

V

N

K

K

K

G

G

I

I

E

E

T

R

A

S

T

N

R

K

I

I

M

L

M

M

P

P

A

L

L

L

F

G

V

V

L

L

L

L

I

I

I

A

L

L

L

A

G

I

Y

Y

A

S

M

L

T

T

T

L

G

G

G

G

F

A

A

K

Q

E

G

G

W

L

D

A

F

F

M

L

F

F

H

S

F

P

D

D

F

W

S

S

K

A

L

L

T

K

W

D

N

P

A

G

A

V

-

Y

L

L

I

A

A

A

L

I

G

S

H

Q

S

A

F

F

F
|
F

T
|
T

L

L

S
|
S

L

L

G

G

M
|
M

G

G

T

A

I

L

M

I

A

T

Y

Y

G

G

S

S

Y

Y

M

V

T

S

K

K

K

D

A

S

S

R

I

L

G

P

K

G

T

A

V

A

L

V

T

S

I

V

G

A

A

G

L

L

D
|
D

T

T

L

A

V

F

A

A

L

I

V

I

A

A

G

G

L

I

A

M

I

I

F

F

P

P

I

A

I

V

F

F

S

A

N

L

G

G

M

L

D

S

P

P

A

S

A

G

G

G

P

P

G

G

L

L

M

V

F

F

I

V

S

V

L

L

P

P

V

D

A

I

F

F

G

D

Q

S

M

I

P

R

F

L

G

G

Q

P

L

I

F

V

G

G

T

I

L

A

F

F

F

F

V

I

L

L

V

L

G

G

V

A

A
|
A

A

A

W

L

T
x
S

S
|
S

A

A

I

V

S
|
S

L
|
L

L

L

E

E

P

V

T

P

V

V

A

A

F

Y

L

F

V

M

E

R

R

K

F

F

K

D

M

W

K

S

R

R

I

K

T

Q

A

A

S

A

I

I

G

T

L

L

G

G

V

V

I

I

V

I

W

T

G

L

L

L

G

G

I

I

A

P

C

S

L

S

G

L

S

S

F

F

N

G

F

V

M

L

A

G

D

E

V

V

T

T

F

I

F

I

-

P

G

G

K

L

N

N

T

I

F

F

D

D

F

S

L

V

D

D

Y

F

I

I

T

A

A

S

N

S

I

V

M

F

L

L

P

P

L

L

G

G

G

G

I

M

L

I

I

I

A

A

L

L

F

F

A

I

G

G

W

W

V

G

V

W

K

K

D

T

K

S

F

D

A

A

K

L

D

A

E

E

L

S

E

D

T

L

S

T

D

D

T

S

I

V

Y

W

-

G

K

K

L

L

W

W

N

I

F

L

S

S

M

L

K

R

F

F

T

I

A

A

P

P

I

I

A

A

V

I

A

L

V

I

V

V

binding sodium ion: G17 (= G23), A19 (= A25), V20 (= V26), V20 (= V26), G21 (= G27), N24 (= N30), T224 (= T233), D256 (= D265), A313 (= A322), S316 (≠ T325), S317 (= S326)
binding tryptophan: S18 (= S24), A19 (= A25), L22 (= L28), G23 (= G29), Y101 (= Y111), F223 (= F232), T224 (= T233), S226 (= S235), M229 (= M238), S320 (= S329), L321 (= L330)

6yu7A Crystal structure of mhst in complex with l-tyrosine (see paper)
45% identity, 96% coverage: 8:443/452 of query aligns to 2:436/442 of 6yu7A

query
sites
6yu7A

Q

R

G

E

S

Q

W

W

A

A

S

S

R

R

W

L

I

G

F

F

I

I

L

L

A

A

A

A

T

M

G

G

S
|
S

A
|
A

V

V

G
|
G

L

L

G
|
G

N

N

I

I

W

W

K

R

F

F

P

S

Y

Y

I

V

T

T

G

G

E

E

N

N

G

G

G

G

G

A

A

A

F

F

V

L

L

L

V

V

Y

Y

L

L

A

G

C

F

I

I

L

A

L

L

V

I

G

G

I

I

P

P

I

I

M

V

M

L

A

A

E

E

V

F

F

T

I

I

G

G

R

R

R

R

A

A

R

Q

K

S

N

D

P

A

I

V

N

G

A

S

L

F

S

-

D

-

V

-

A

-

E

E

E

K

S

L

A

A

S

P

S

G

R

K

K

P

W

W

G

K

L

V

I

A

G

G

V

L

M

M

G

G

M

V

L

A

S

A

G

G

V

F

L

L

I

I

F

L

S

S

F

F

Y
|
Y

S

G

V

V

V

I

G

A

G

G

W

W

V

I

L

L

H

F

Y

Y

I

L

K

F

A

N

M

Y

L

I

T

T

G

G

E

Q

M

L

S

W

G

S

I

A

S

P

S

A

D

E

D

G

A

F

G

G

A

G

A

F

F

F

G

E

A

G

L

F

L

I

A

A

D

N

P

P

A

T

T

L

L

P

L

L

G

F

W

W

H

Q

T

A

L

L

F

F

S

M

I

I

M

A

T

T

V

I

V

W

V

I

V

V

A

A

A

I

G

G

I

V

N

K

K

K

G

G

I

I

E

E

T

R

A

S

T

N

R

K

I

I

M

L

M

M

P

P

A

L

L

L

F

G

V

V

L

L

L

L

I

I

I

A

L

L

L

A

G

I

Y

Y

A

S

M

L

T

T

T

L

G

G

G

G

F

A

A

K

Q

E

G

G

W

L

D

A

F

F

M

L

F

F

H

S

F

P

D

D

F

W

S

S

K

A

L

L

T

K

W

D

N

P

A

G

A

V

-

Y

L

L

I

A

A

A

L

I

G

S

H

Q

S

A

F

F

F
|
F

T
|
T

L

L

S
|
S

L

L

G

G

M
|
M

G

G

T

A

I

L

M

I

A

T

Y

Y

G

G

S

S

Y

Y

M

V

T

S

K

K

K

D

A

S

S

R

I

L

G

P

K

G

T

A

V

A

L

V

T

S

I

V

G

A

A

G

L

L

D

D

T

T

L

A

V

F

A

A

L

I

V

I

A

A

G

G

L

I

A

M

I

I

F

F

P

P

I

A

I

V

F

F

S

A

N

L

G

G

M

L

D

S

P

P

A

S

A

G

G

G

P

P

G

G

L

L

M

V

F

F

I

V

S

V

L

L

P

P

V

D

A

I

F

F

G

D

Q

S

M

I

P

R

F

L

G

G

Q

P

L

I

F

V

G

G

T

I

L

A

F

F

F

F

V

I

L

L

V

L

G

G

V

A

A

A

A

A

W

L

T

S

S

S

A

A

I

V

S

S

L
|
L

L

L

E

E

P

V

T

P

V

V

A

A

F

Y

L

F

V

M

E

R

R

K

F

F

K

D

M

W

K

S

R

R

I

K

T

Q

A

A

S

A

I

I

G

T

L

L

G

G

V

V

I

I

V

I

W

T

G

L

L

L

G

G

I

I

A

P

C

S

L

S

G

L

S

S

F

F

N

G

F

V

M

L

A

G

D

E

V

V

T

T

F

I

F

I

-

P

G

G

K

L

N

N

T

I

F

F

D

D

F

S

L

V

D

D

Y

F

I

I

T

A

A

S

N

S

I

V

M

F

L

L

P

P

L

L

G

G

G

G

I

M

L

I

I

I

A

A

L

L

F

F

A

I

G

G

W

W

V

G

V

W

K

K

D

T

K

S

F

D

A

A

K

L

D

A

E

E

L

S

E

D

T

L

S

T

D

D

T

S

I

V

Y

W

-

G

K

K

L

L

W

W

N

I

F

L

S

S

M

L

K

R

F

F

T

I

A

A

P

P

I

I

A

A

V

I

A

L

V

I

V

V

binding tyrosine: S18 (= S24), A19 (= A25), G21 (= G27), G23 (= G29), Y101 (= Y111), F223 (= F232), T224 (= T233), S226 (= S235), M229 (= M238), L321 (= L330)

6yu4A Crystal structure of mhst in complex with l-4f-phenylalanine (see paper)
45% identity, 96% coverage: 8:443/452 of query aligns to 2:436/442 of 6yu4A

query
sites
6yu4A

Q

R

G

E

S

Q

W

W

A

A

S

S

R

R

W

L

I

G

F

F

I

I

L

L

A

A

A

A

T

M

G

G

S
|
S

A
|
A

V

V

G
|
G

L
|
L

G
|
G

N

N

I

I

W

W

K

R

F

F

P

S

Y

Y

I

V

T

T

G

G

E

E

N

N

G

G

G

G

G

A

A

A

F

F

V

L

L

L

V

V

Y

Y

L

L

A

G

C

F

I

I

L

A

L

L

V

I

G

G

I

I

P

P

I

I

M

V

M

L

A

A

E

E

V

F

F

T

I

I

G

G

R

R

R

R

A

A

R

Q

K

S

N

D

P

A

I

V

N

G

A

S

L

F

S

-

D

-

V

-

A

-

E

E

E

K

S

L

A

A

S

P

S

G

R

K

K

P

W

W

G

K

L

V

I

A

G

G

V

L

M

M

G

G

M

V

L

A

S

A

G

G

V

F

L

L

I

I

F

L

S

S

F

F

Y
|
Y

S

G

V

V

V

I

G

A

G

G

W

W

V

I

L

L

H

F

Y

Y

I

L

K

F

A

N

M

Y

L

I

T

T

G

G

E

Q

M

L

S

W

G

S

I

A

S

P

S

A

D

E

D

G

A

F

G

G

A

G

A

F

F

F

G

E

A

G

L

F

L

I

A

A

D

N

P

P

A

T

T

L

L

P

L

L

G

F

W

W

H

Q

T

A

L

L

F

F

S

M

I

I

M

A

T

T

V

I

V

W

V

I

V

V

A

A

A

I

G

G

I

V

N

K

K

K

G

G

I

I

E

E

T

R

A

S

T

N

R

K

I

I

M

L

M

M

P

P

A

L

L

L

F

G

V

V

L

L

L

L

I

I

I

A

L

L

L

A

G

I

Y

Y

A

S

M

L

T

T

T

L

G

G

G

G

F

A

A

K

Q

E

G

G

W

L

D

A

F

F

M

L

F

F

H

S

F

P

D

D

F

W

S

S

K

A

L

L

T

K

W

D

N

P

A

G

A

V

-

Y

L

L

I

A

A

A

L

I

G

S

H

Q

S

A

F

F

F
|
F

T
|
T

L

L

S
|
S

L

L

G

G

M
|
M

G

G

T

A

I

L

M

I

A

T

Y

Y

G

G

S

S

Y

Y

M

V

T

S

K

K

K

D

A

S

S

R

I

L

G

P

K

G

T

A

V

A

L

V

T

S

I

V

G

A

A

G

L

L

D

D

T

T

L

A

V

F

A

A

L

I

V

I

A

A

G

G

L

I

A

M

I

I

F

F

P

P

I

A

I

V

F

F

S

A

N

L

G

G

M

L

D

S

P

P

A

S

A

G

G

G

P

P

G

G

L

L

M

V

F

F

I

V

S

V

L

L

P

P

V

D

A

I

F

F

G

D

Q

S

M

I

P

R

F

L

G

G

Q

P

L

I

F

V

G

G

T

I

L

A

F

F

F

F

V

I

L

L

V

L

G

G

V

A

A

A

A

A

W

L

T

S

S

S

A

A

I

V

S

S

L
|
L

L

L

E

E

P

V

T

P

V

V

A

A

F

Y

L

F

V

M

E

R

R

K

F

F

K

D

M

W

K

S

R

R

I

K

T

Q

A

A

S

A

I

I

G

T

L

L

G

G

V

V

I

I

V

I

W

T

G

L

L

L

G

G

I

I

A

P

C

S

L

S

G

L

S

S

F

F

N

G

F

V

M

L

A

G

D

E

V

V

T

T

F

I

F

I

-

P

G

G

K

L

N

N

T

I

F

F

D

D

F

S

L

V

D

D

Y

F

I

I

T

A

A

S

N

S

I

V

M

F

L

L

P

P

L

L

G

G

G

G

I

M

L

I

I

I

A

A

L

L

F

F

A

I

G

G

W

W

V

G

V

W

K

K

D

T

K

S

F

D

A

A

K

L

D

A

E

E

L

S

E

D

T

L

S

T

D

D

T

S

I

V

Y

W

-

G

K

K

L

L

W

W

N

I

F

L

S

S

M

L

K

R

F

F

T

I

A

A

P

P

I

I

A

A

V

I

A

L

V

I

V

V

binding 4-fluoro-l-phenylalanine: S18 (= S24), A19 (= A25), G21 (= G27), L22 (= L28), G23 (= G29), Y101 (= Y111), F223 (= F232), T224 (= T233), S226 (= S235), M229 (= M238), L321 (= L330)

4us4A Crystal structure of the bacterial nss member mhst in an occluded inward-facing state (lipidic cubic phase form) (see paper)
45% identity, 94% coverage: 17:443/452 of query aligns to 2:427/433 of 4us4A

query
sites
4us4A

F

F

I

I

L

L

A

A

A

A

T

M

G
|
G

S
|
S

A
|
A

V
|
V

G
|
G

L

L

G
|
G

N
|
N

I

I

W

W

K

R

F

F

P

S

Y

Y

I

V

T

T

G

G

E

E

N

N

G

G

G

G

G

A

A

A

F

F

V

L

L

L

V

V

Y

Y

L

L

A

G

C

F

I

I

L

A

L

L

V

I

G

G

I

I

P

P

I

I

M

V

M

L

A

A

E

E

V

F

F

T

I

I

G

G

R

R

R

R

A

A

R

Q

K

S

N

D

P

A

I

V

N

G

A

S

L

F

S

-

D

-

V

-

A

-

E

E

E

K

S

L

A

A

S

P

S

G

R

K

K

P

W

W

G

K

L

V

I

A

G

G

V

L

M

M

G

G

M

V

L

A

S

A

G

G

V

F

L

L

I

I

F

L

S

S

F

F

Y
|
Y

S

G

V

V

V

I

G

A

G

G

W

W

V

I

L

L

H

F

Y

Y

I

L

K

F

A

N

M

Y

L

I

T

T

G

G

E

Q

M

L

S

W

G

S

I

A

S

P

S

A

D

E

D

G

A

F

G

G

A

G

A

F

F

F

G

E

A

G

L

F

L

I

A

A

D

N

P

P

A

T

T

L

L

P

L

L

G

F

W

W

H

Q

T

A

L

L

F

F

S

M

I

I

M

A

T

T

V

I

V

W

V

I

V

V

A

A

A

I

G

G

I

V

N

K

K

K

G

G

I

I

E

E

T

R

A

S

T

N

R

K

I

I

M

L

M

M

P

P

A

L

L

L

F

G

V

V

L

L

L

L

I

I

I
x
A

L

L

L

A

G

I

Y

Y

A

S

M

L

T
|
T

T

L

G

G

G

G

F

A

A

K

Q

E

G

G

W

L

D

A

F

F

M

L

F

F

H

S

F

P

D

D

F

W

S

S

K

A

L

L

T

K

W

D

N

P

A

G

A

V

-

Y

L

L

I

A

A

A

L

I

G

S

H

Q

S

A

F

F

F
|
F

T
|
T

L

L

S
|
S

L

L

G

G

M
|
M

G

G

T

A

I

L

M

I

A

T

Y

Y

G

G

S

S

Y

Y

M

V

T

S

K

K

K

D

A

S

S

R

I

L

G

P

K

G

T

A

V

A

L

V

T

S

I

V

G

A

A

G

L

L

D
|
D

T

T

L

A

V

F

A

A

L

I

V

I

A

A

G

G

L

I

A

M

I

I

F

F

P

P

I

A

I

V

F

F

S

A

N

L

G

G

M

L

D

S

P

P

A

S

A

G

G

G

P

P

G

G

L

L

M

V

F

F

I

V

S

V

L

L

P

P

V

D

A

I

F

F

G

D

Q

S

M
x
I

P
x
R

F
x
L

G

G

Q

P

L

I

F

V

G

G

T

I

L

A

F

F

F

F

V

I

L

L

V

L

G

G

V

A

A
|
A

A

A

W

L

T
x
S

S
|
S

A

A

I

V

S

S

L
|
L

L

L

E

E

P

V

T

P

V

V

A

A

F

Y

L

F

V

M

E

R

R

K

F

F

K

D

M

W

K

S

R

R

I

K

T

Q

A

A

S

A

I

I

G

T

L

L

G

G

V

V

I

I

V

I

W

T

G

L

L

L

G

G

I

I

A

P

C

S

L

S

G

L

S

S

F

F

N

G

F

V

M

L

A

G

D

E

V

V

T

T

F

I

F

I

-

P

G

G

K

L

N

N

T

I

F

F

D

D

F

S

L

V

D

D

Y

F

I

I

T

A

A

S

N

S

I

V

M

F

L

L

P

P

L

L

G

G

G

G

I

M

L

I

I

I

A

A

L

L

F

F

A

I

G

G

W

W

V

G

V

W

K

K

D

T

K

S

F

D

A

A

K

L

D

A

E

E

L

S

E

D

T

L

S

T

D

D

T

S

I

V

Y

W

-

G

K

K

L

L

W

W

N

I

F

L

S

S

M

L

K

R

F

F

T

I

A

A

P

P

I

I

A

A

V

I

A

L

V

I

V

V

binding (2s)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate: A173 (≠ I192), T180 (= T199), I287 (≠ M305), R288 (≠ P306), L289 (≠ F307)
binding sodium ion: G8 (= G23), S9 (= S24), A10 (= A25), V11 (= V26), V11 (= V26), N15 (= N30), T215 (= T233), D247 (= D265), A304 (= A322), S307 (≠ T325), S308 (= S326)
binding tryptophan: S9 (= S24), A10 (= A25), G12 (= G27), G14 (= G29), Y92 (= Y111), F214 (= F232), T215 (= T233), S217 (= S235), M220 (= M238), L312 (= L330)

3gwwA Leucine transporter leut in complex with s-fluoxetine (see paper)
29% identity, 97% coverage: 8:444/452 of query aligns to 1:455/501 of 3gwwA

query
sites
3gwwA

Q

R

G

E

S

H

W

W

A

A

S

T

R

R

W

L

I

G

F

L

I

I

L

L

A

A

A

M

T

A

G

G

S

N

A
|
A

V

V

G
|
G

L
|
L

G
|
G

N

N

I

F

W

L

K
x
R

F

F

P

P

Y

V

I

Q

T

A

G

A

E

E

N

N

G

G

G

G

G

G

A

A

F

F

V

M

L

I

V

P

Y

Y

L

I

A

I

C

A

I

F

L

L

L

L

V

V

G

G

I

I

P

P

I

L

M

M

M

W

A

I

E

E

V

W

F

A

I

M

G

G

R

R

R

Y

A

G

R

G

K

A

N

Q

P

G

I

H

N

G

A

T

L

T

S

P

D

A

V

I

A

F

E

Y

E

L

S

L

A

W

S

R

S

N

R

R

K

F

W

A

G

K

L

I

I

L

G

G

V

V

M

F

G

G

M

L

L

W

S

I

G

P

V

L

L

V

I

V

F

A

S

I

F

Y

Y
|
Y

S

V

V

Y

V

I

G

E

G

S

W

W

V

T

L

L

H

G

Y

F

I

A

K

I

A

K

M

F

L

L

T

V

G

G

E

L

M

V

S

P

G

E

I

P

S

P

S

P

D

D

D

S

A

I

G

L

A

R

A

P

F

F

G

K

A

E

L

F

L

L

-

Y

-

S

-

Y

-

I

-

G

-

V

-

P

-

K

A

G

D

D

P

E

A

P

T

I

L

L

-

K

-

P

-

S

L

L

G

F

W

A

H

Y

T

I

L

V

F

F

S

L

I

I

-

T

-

M

-

F

M

I

T

N

V

V

V

S

V

I

V

L

A

I

A

R

G

G

I

I

N

S

K

K

G

G

I

I

E

E

T

R

A

F

T

A

R

K

I

I

M

A

M

M

P

P

A

T

L

L

F

F

V

I

L

L

L

A

I

V

I

F

L

L

L

V

G

I

Y

R

A

V

M

F

-

L

-

L

-

E

-

T

T

P

T

N

G

G

G

T

F

A

A

A

Q

D

G

G

W

L

D

N

F

F

M

L

F

W

H

T

F

P

D

D

F

F

S

E

K

K

L

L

T

K

W

D

N

P

A

G

A

V

L

W

I

I

-

A

A

A

L

V

G

G

H

Q

S

I

F

F

F
|
F

T
|
T

L

L

S
|
S

L

L

G

G

M
x
F

G

G

T

A

I

I

M

I

A

T

Y

Y

G

A

S

S

Y

Y

M

V

T

R

K

K

K

D

A

Q

S

D

I

I

G

V

K

L

T

S

V

G

L

L

T

T

I

A

G

A

A

T

L

L

D

N

T

E

L

K

-

A

-

E

-

V

-

I

-

L

-

G

-

G

-

S

V

I

A

S

L

I

V

P

A

A

G

A

L

V

A

A

I

F

F

F

P

G

I

V

I

A

F

N

S

A

N

V

G

A

M

I

D

A

P

K

A

A

A

G

G
x
A

P
x
F

G

N

L

L

M

G

F

F

I

I

S

T

L

L

P

P

V

A

A

I

F

F

G

S

Q

Q

M

T

P

A

F

G

G

G

Q

T

L

F

F

L

G

G

T

F

L

L

F

W

F

F

V

F

L

L

V

L

G

F

V

F

A

A

A

G

W

L

T

T

S

S

A

S

I

I

S

A

L
x
I

L

M

E

Q

P

P

T

M

V

I

A

A

F

F

L

L

V

E

E

D

R

E

F

L

K

K

M

L

K

S

R

R

I

K

T

H

A

A

S

V

I

L

G

W

L

T

G

A

V

A

I

I

V

V

W

F

G

-

L

-

G

-

I

-

A

-

C

-

L

-

G

-

S

-

F

-

N

-

F

F

M

S

A

A

D

H

V

L

T

V

F

M

F

F

G

L

K

N

N

K

T

S

F

L

D
|
D

F

E

L

M

D
|
D

Y

F

I

W

T

A

A

G

N

T

I

I

M

G

L

V

P

V

L

F

G

F

G

G

I

L

L

T

I

E

A

L

L

I

F

I

A

F

G

F

W

W

V

I

V

F

K

G

D

A

K

D

F

K

A

A

K

W

D

E

E

E

L

I

E

N

T

R

S

G

D

G

T

I

I

I

Y

K

-

V

-

P

K

R

L

I

W

Y

N

Y

F

Y

S

V

M

M

K

R

F

Y

T

I

A

T

P

P

I

A

A

F

V

L

A

A

V

V

V

L

L

L

binding leucine: A18 (= A25), G20 (= G27), G22 (= G29), Y104 (= Y111), F244 (= F232), T245 (= T233), S247 (= S235), F250 (≠ M238), I350 (≠ L330)
binding (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine: L21 (= L28), G22 (= G29), R26 (≠ K33), Y104 (= Y111), A310 (≠ G290), F311 (≠ P291), D392 (= D383), D395 (= D386)

3uspA Crystal structure of leut in heptyl-beta-d-selenoglucoside (see paper)
29% identity, 97% coverage: 8:444/452 of query aligns to 1:458/503 of 3uspA

query
sites
3uspA

Q

R

G

E

S

H

W

W

A

A

S

T

R

R

W

L

I

G

F

L

I

I

L

L

A

A

A

M

T

A

G
|
G

S

N

A
|
A

V
|
V

G
|
G

L

L

G
|
G

N
|
N

I

F

W

L

K

R

F

F

P

P

Y

V

I

Q

T

A

G

A

E

E

N

N

G

G

G

G

G

G

A

A

F

F

V

M

L

I

V

P

Y

Y

L

I

A

I

C

A

I

F

L

L

L

L

V

V

G

G

I

I

P

P

I

L

M

M

M

W

A

I

E

E

V

W

F

A

I

M

G

G

R

R

R

Y

A

G

R

G

K

A

N

Q

P

G

I

H

N

G

A

T

L

T

S

P

D

A

V

I

A

F

E

Y

E

L

S

L

A

W

S

R

S

N

R

R

K

F

W

A

G

K

L

I

I

L

G

G

V

V

M

F

G

G

M

L

L

W

S

I

G

P

V

L

L

V

I

V

F

A

S

I

F

Y

Y

Y

S

V

V

Y

V

I

G

E

G

S

W

W

V

T

L

L

H

G

Y

F

I

A

K

I

A
x
K

M

F

L

L

T

V

G

G

-
x
L

-

V

-

P

E

E

M

P

S

P

G

P

I

T

S

D

S

P

D

D

D

S

A

I

G

L

A

R

A

P

F

F

G

K

A

E

L

F

L

L

-

Y

-

S

-

Y

-

I

-

G

-

V

-

P

-

K

A

G

D

D

P
x
E

A

P

T
x
I

L

L

-
x
K

-
x
P

-

S

L

L

G
x
F

W

A

H
x
Y

T

I

L

V

F

F

S

L

I

I

-

T

-

M

-

F

M

I

T

N

V

V

V

S

V

I

V

L

A

I

A

R

G

G

I

I

N

S

K

K

G

G

I

I

E

E

T

R

A

F

T

A

R

K

I

I

M

A

M

M

P

P

A

T

L

L

F

F

V

I

L

L

L

A

I

V

I

F

L

L

L

V

G

I

Y

R

A

V

M

F

-

L

-

L

-

E

-

T

T

P

T

N

G

G

G

T

F

A

A

A

Q

D

G

G

W

L

D

N

F

F

M

L

F

W

H

T

F

P

D

D

F

F

S

E

K

K

L

L

T

K

W

D

N

P

A

G

A

V

L

W

I

I

A

A

-

A

L

V

G

G

H

Q

S

I

F

F

F
|
F

T
|
T

L

L

S
|
S

L

L

G

G

M
x
F

G

G

T

A

I

I

M

I

A

T

Y

Y

G

A

S

S

Y

Y

M

V

T

R

K

K

K

D

A

Q

S

D

I

I

G

V

K

L

T

S

V

G

L

L

T

T

I

A

G

A

A

T

L

L

D
x
N

T

E

L

K

-

A

-

E

-

V

-

I

-

L

-

G

-

G

-

S

V

I

A

S

L

I

V

P

A

A

G

A

L

V

A

A

I

F

F

F

P

G

I

V

I

A

F

N

S

A

N

V

G

A

M

I

D

A

P

K

A

A

A

G

G

A

P

F

G

N

L

L

M

G

F

F

I

I

S

T

L

L

P

P

V

A

A

I

F

F

G

S

Q

Q

M

T

P

A

F

G

G

G

Q

T

L

F

F

L

G

G

T

F

L

L

F

W

F

F

V

F

L

L

V

L

G

F

V

F

A
|
A

A

G

W

L

T
|
T

S
|
S

A

S

I

I

S

A

L

I

L

M

E

Q

P

P

T

M

V

I

A

A

F

F

L

L

V

E

E

D

R

E

F

L

K

K

M

L

K

S

R

R

I

K

T

H

A

A

S

V

I

L

G

W

L

T

G

A

V

A

I

I

V

V

W

F

G

-

L

-

G

-

I

-

A

-

C

-

L

-

G

-

S

-

F

-

N

-

F

F

M

S

A

A

D
x
H

V
x
L

T

V

F

M

F
|
F

G

L

K

N

N

K

T

S

F
x
L

D
|
D

F

E

L

M

D
|
D

Y

F

I

W

T

A

A

G

N

T

I

I

M

G

L

V

P

V

L

F

G

F

G

G

I

L

L

T

I

E

A

L

L

I

F

I

A

F

G

F

W

W

V

I

V

F

K

G

D

A

K

D

F

K

A

A

K

W

D

E

E

E

L

I

E

N

T

R

S

G

D

G

T

I

I

I

Y

K

-

V

-
x
P

K

R

L

I

W
x
Y

N

Y

F

Y

S

V

M

M

K

R

F

Y

T

I

A

T

P

P

I

A

A

F

V

L

A

A

V

V

V

L

L

L

binding heptyl 1-seleno-beta-D-glucopyranoside: K117 (≠ A124), L122 (vs. gap), E153 (≠ P149), I155 (≠ T151), K157 (vs. gap), P158 (vs. gap), F161 (≠ G154), Y163 (≠ H156), H385 (≠ D373), H385 (≠ D373), L386 (≠ V374), F389 (= F377), F389 (= F377), L394 (≠ F382), D395 (= D383), D398 (= D386), P439 (vs. gap), Y442 (≠ W428)
binding leucine: A18 (= A25), G20 (= G27), G22 (= G29), F247 (= F232), T248 (= T233), S250 (= S235), F253 (≠ M238)
binding sodium ion: G16 (= G23), A18 (= A25), V19 (= V26), V19 (= V26), G20 (= G27), N23 (= N30), T248 (= T233), N280 (≠ D265), A345 (= A322), T348 (= T325), S349 (= S326)

3gwvA Leucine transporter leut in complex with r-fluoxetine (see paper)
29% identity, 97% coverage: 8:444/452 of query aligns to 1:458/498 of 3gwvA

query
sites
3gwvA

Q

R

G

E

S

H

W

W

A

A

S

T

R

R

W

L

I

G

F

L

I

I

L

L

A

A

A

M

T

A

G

G

S

N

A
|
A

V

V

G
|
G

L
|
L

G
|
G

N

N

I

F

W

L

K
x
R

F

F

P

P

Y

V

I

Q

T

A

G

A

E

E

N

N

G

G

G

G

G

G

A

A

F

F

V

M

L

I

V

P

Y

Y

L

I

A

I

C

A

I

F

L

L

L

L

V

V

G

G

I

I

P

P

I

L

M

M

M

W

A

I

E

E

V

W

F

A

I

M

G

G

R

R