SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_043531208.1 NCBI__GCF_000759345.1:WP_043531208.1 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)

6yu5A Crystal structure of mhst in complex with l-valine (see paper)
46% identity, 98% coverage: 6:443/447 of query aligns to 2:438/441 of 6yu5A

query
sites
6yu5A

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A
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A

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binding valine: S18 (= S22), A19 (= A23), G23 (= G27), Y101 (= Y109), F223 (= F230), T224 (= T231), S226 (= S233), S317 (= S324)

6yu3A Crystal structure of mhst in complex with l-phenylalanine (see paper)
46% identity, 98% coverage: 6:443/447 of query aligns to 2:438/441 of 6yu3A

query
sites
6yu3A

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A

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G

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G

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N

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W

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R

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F

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S

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Y

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G

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N

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G

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Y

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A

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F

A

E

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L

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-

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M

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D

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A

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E

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T

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D

N

F

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M

G

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A

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W

D

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A

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E

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G

D

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L

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F

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L

binding phenylalanine: S18 (= S22), A19 (= A23), G21 (= G25), G23 (= G27), Y101 (= Y109), F223 (= F230), T224 (= T231), S226 (= S233), M229 (= M236), L321 (= L328)

6yu2A Crystal structure of mhst in complex with l-isoleucine (see paper)
46% identity, 98% coverage: 6:443/447 of query aligns to 2:438/441 of 6yu2A

query
sites
6yu2A

H

R

A

E

Q

Q

W

W

S

A

S

S

K

R

M

L

T

G

F

F

I

I

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L

A

A

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A

A

M

G

G

S
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A
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A

V

V

G
|
G

L

L

G
|
G

N

N

I

I

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W

R

R

F

F

S

S

Y

Y

M

V

V

T

G

G

D

E

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N

G

G

G

G

A

A

A

A

F

F

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L

L

V

V

Y

Y

L

L

A

G

C

F

V

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A

A

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L

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G

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I

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A

E

E

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L

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K

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K

A

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A

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G

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G

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A

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A

A

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F

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V

I

I

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A

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G

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W

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A

A

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E

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A

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F

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E

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A

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W

H

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S

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F

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M

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I

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M

M

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P

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A

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E

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F

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D

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S

S

A

A

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D

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G

G

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V

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Y

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L

A

A

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Q

A

A

F

F

F
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F

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T

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L

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S

L

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G

G

M
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M

G

G

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A

M

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M

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Y

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E

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G

F

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D

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F

F

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P

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G

G

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M

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I

A

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L

F

F

V

I

A

G

W

W

C

G

L

W

D

K

R

T

A

S

S

D

V

A

Q

L

R

A

E

E

L

S

G

D

L

L

-

T

G

D

S

S

T

V

G

W

G

G

T

K

L

L

W

W

H

I

I

L

T

S

S

L

R

R

Y

F

I

I

A

A

P

P

I

I

G

A

V

I

I

L

C

I

V

V

F

F

V

L

binding isoleucine: S18 (= S22), A19 (= A23), G21 (= G25), G23 (= G27), Y101 (= Y109), F223 (= F230), M229 (= M236), S317 (= S324)

4us3A Crystal structure of the bacterial nss member mhst in an occluded inward-facing state (see paper)
46% identity, 98% coverage: 6:443/447 of query aligns to 2:438/441 of 4us3A

query
sites
4us3A

H

R

A

E

Q

Q

W

W

S

A

S

S

K

R

M

L

T

G

F

F

I

I

L

L

A

A

A

A

A

M

G
|
G

S
|
S

A
|
A

V
|
V

G
|
G

L
|
L

G
|
G

N
|
N

I

I

W

W

R

R

F

F

S

S

Y

Y

M

V

V

T

G

G

D

E

S

N

G

G

G

G

A

A

A

A

F

F

V

L

L

L

V

V

Y

Y

L

L

A

G

C

F

V

I

A

A

L

L

V

I

G

G

L

I

P

P

I

I

L

V

V

L

S

A

E

E

W

F

L

T

I

I

G

G

R

R

R

R

G

A

Q

Q

K

S

N

D

P

A

I

V

N

G

T

S

M

F

A

E

E

K

L

L

A

A

T

-

Q

-

H

-

G

-

K

P

S

G

K

K

A

P

W

W

A

K

A

V

I

A

G

G

I

L

S

M

G

G

V

V

L

A

A

A

A

G

F

F

L

L

I

I

L

L

S

S

F

F

Y
|
Y

S

G

V

V

I

I

G

A

G

G

W

W

S

I

L

L

S

F

Y

Y

T

L

L

F

G

N

S

Y

V

I

T

T

G

G

A

Q

F

L

S

W

G

S

Q

A

D

P

A

A

D

E

G

G

I

F

S

G

A

G

L

F

F

F

T

E

G

G

M

F

L

I

S

A

S

N

P

P

G

T

T

L

L

P

L

L

L

F

W

W

H

Q

S

A

I

L

F

F

M

M

L

I

L

A

V

T

I

I

V

W

I

I

V

V

A

A

R

I

G

G

V

V

T

K

K

K

G

G

L

I

E

E

A

R

A

S

V

N

R

K

T

I

M

L

M

M

P

P

A

L

L

L

L

G

I

V

L

L

M

L

L

I

V

A

L

L

V

A

G

I

Y

Y

G

S

M

L

T

T

T

L

G

G

H

G

F

A

G

K

E

E

A

G

M

L

S

A

F

F

M

L

F

F

N

S

P

P

D

D

W

W

S

S

A

A

L

L

S

K

G

D

-

P

G

G

V

V

V

Y

L

L

A

A

A

A

M

I

G

S

Q

Q

A

A

F

F

F
|
F

T
|
T

L

L

S
|
S

L

L

G

G

M
|
M

G

G

I

A

M

L

M

I

A

T

Y

Y

G

G

S

S

Y

Y

L

V

G

S

Q

K

E

D

V

S

D

R

L

L

I

P

G

G

T

A

A

A

R

V

T

S

V

V

I

A

I

G

L

L

D
|
D

T

T

V

A

V

F

A

A

L

I

L

I

A

A

G

G

M

I

A

M

I

I

F

F

P

P

I

A

V

V

F

F

A

A

N

L

G

G

L

L

S

S

P

P

G

S

E

G

G

G

P

P

G

G

L

L

I

V

F

F

V

V

T

V

L

L

P

P

L

D

A

I

F

F

G

D

S

S

M

I

T

R

G

L

G

G

T

P

I

I

L

V

G

G

L

I

M

A

F

F

F

F

L

I

L

L

L

L

T

G

F

A

A
|
A

A

A

L

L

T
x
S

S
|
S

A

A

I

V

S
|
S

L
|
L

L

L

E

E

P

V

V

P

V

V

E

A

F

Y

L

F

E

M

E

R

R

K

T

F

S

D

L

W

T

S

R

R

V

K

P

Q

A

A

T

A

L

I

I

T

S

L

A

G

I

V

L

I

V

I

W

T

L

L

L

L

G

G

I

I

A

P

A

S

L

S

L

L

S

S

F

F

N

G

V

V

W

L

-

G

D

E

G

V

P

T

V

I

A

I

F

P

G

G

F

L

N

N

T

I

F

F

D

D

L

S

L

V

D

D

N

F

F

I

T

A

S

S

K

S

I

V

L

F

L

L

P

P

L

L

T

G

G

G

L

M

G

I

A

I

I

A

V

L

F

F

V

I

A

G

W

W

C

G

L

W

D

K

R

T

A

S

S

D

V

A

Q

L

R

A

E

E

L

S

G

D

L

L

-

T

G

D

S

S

T

V

G

W

G

G

T

K

L

L

W

W

H

I

I

L

T

S

S

L

R

R

Y

F

I

I

A

A

P

P

I

I

G

A

V

I

I

L

C

I

V

V

F

F

V

L

binding sodium ion: G17 (= G21), A19 (= A23), V20 (= V24), V20 (= V24), G21 (= G25), N24 (= N28), T224 (= T231), D256 (= D263), A313 (= A320), S316 (≠ T323), S317 (= S324)
binding tryptophan: S18 (= S22), A19 (= A23), L22 (= L26), G23 (= G27), Y101 (= Y109), F223 (= F230), T224 (= T231), S226 (= S233), M229 (= M236), S320 (= S327), L321 (= L328)

6yu7A Crystal structure of mhst in complex with l-tyrosine (see paper)
46% identity, 98% coverage: 6:443/447 of query aligns to 2:438/442 of 6yu7A

query
sites
6yu7A

H

R

A

E

Q

Q

W

W

S

A

S

S

K

R

M

L

T

G

F

F

I

I

L

L

A

A

A

A

A

M

G

G

S
|
S

A
|
A

V

V

G
|
G

L

L

G
|
G

N

N

I

I

W

W

R

R

F

F

S

S

Y

Y

M

V

V

T

G

G

D

E

S

N

G

G

G

G

A

A

A

A

F

F

V

L

L

L

V

V

Y

Y

L

L

A

G

C

F

V

I

A

A

L

L

V

I

G

G

L

I

P

P

I

I

L

V

V

L

S

A

E

E

W

F

L

T

I

I

G

G

R

R

R

R

G

A

Q

Q

K

S

N

D

P

A

I

V

N

G

T

S

M

F

A

E

E

K

L

L

A

A

T

-

Q

-

H

-

G

-

K

P

S

G

K

K

A

P

W

W

A

K

A

V

I

A

G

G

I

L

S

M

G

G

V

V

L

A

A

A

A

G

F

F

L

L

I

I

L

L

S

S

F

F

Y
|
Y

S

G

V

V

I

I

G

A

G

G

W

W

S

I

L

L

S

F

Y

Y

T

L

L

F

G

N

S

Y

V

I

T

T

G

G

A

Q

F

L

S

W

G

S

Q

A

D

P

A

A

D

E

G

G

I

F

S

G

A

G

L

F

F

F

T

E

G

G

M

F

L

I

S

A

S

N

P

P

G

T

T

L

L

P

L

L

L

F

W

W

H

Q

S

A

I

L

F

F

M

M

L

I

L

A

V

T

I

I

V

W

I

I

V

V

A

A

R

I

G

G

V

V

T

K

K

K

G

G

L

I

E

E

A

R

A

S

V

N

R

K

T

I

M

L

M

M

P

P

A

L

L

L

L

G

I

V

L

L

M

L

L

I

V

A

L

L

V

A

G

I

Y

Y

G

S

M

L

T

T

T

L

G

G

H

G

F

A

G

K

E

E

A

G

M

L

S

A

F

F

M

L

F

F

N

S

P

P

D

D

W

W

S

S

A

A

L

L

S

K

G

D

-

P

G

G

V

V

V

Y

L

L

A

A

A

A

M

I

G

S

Q

Q

A

A

F

F

F
|
F

T
|
T

L

L

S
|
S

L

L

G

G

M
|
M

G

G

I

A

M

L

M

I

A

T

Y

Y

G

G

S

S

Y

Y

L

V

G

S

Q

K

E

D

V

S

D

R

L

L

I

P

G

G

T

A

A

A

R

V

T

S

V

V

I

A

I

G

L

L

D

D

T

T

V

A

V

F

A

A

L

I

L

I

A

A

G

G

M

I

A

M

I

I

F

F

P

P

I

A

V

V

F

F

A

A

N

L

G

G

L

L

S

S

P

P

G

S

E

G

G

G

P

P

G

G

L

L

I

V

F

F

V

V

T

V

L

L

P

P

L

D

A

I

F

F

G

D

S

S

M

I

T

R

G

L

G

G

T

P

I

I

L

V

G

G

L

I

M

A

F

F

F

F

L

I

L

L

L

L

T

G

F

A

A

A

A

A

L

L

T

S

S

S

A

A

I

V

S

S

L
|
L

L

L

E

E

P

V

V

P

V

V

E

A

F

Y

L

F

E

M

E

R

R

K

T

F

S

D

L

W

T

S

R

R

V

K

P

Q

A

A

T

A

L

I

I

T

S

L

A

G

I

V

L

I

V

I

W

T

L

L

L

L

G

G

I

I

A

P

A

S

L

S

L

L

S

S

F

F

N

G

V

V

W

L

-

G

D

E

G

V

P

T

V

I

A

I

F

P

G

G

F

L

N

N

T

I

F

F

D

D

L

S

L

V

D

D

N

F

F

I

T

A

S

S

K

S

I

V

L

F

L

L

P

P

L

L

T

G

G

G

L

M

G

I

A

I

I

A

V

L

F

F

V

I

A

G

W

W

C

G

L

W

D

K

R

T

A

S

S

D

V

A

Q

L

R

A

E

E

L

S

G

D

L

L

-

T

G

D

S

S

T

V

G

W

G

G

T

K

L

L

W

W

H

I

I

L

T

S

S

L

R

R

Y

F

I

I

A

A

P

P

I

I

G

A

V

I

I

L

C

I

V

V

F

F

V

L

binding tyrosine: S18 (= S22), A19 (= A23), G21 (= G25), G23 (= G27), Y101 (= Y109), F223 (= F230), T224 (= T231), S226 (= S233), M229 (= M236), L321 (= L328)

6yu4A Crystal structure of mhst in complex with l-4f-phenylalanine (see paper)
46% identity, 98% coverage: 6:443/447 of query aligns to 2:438/442 of 6yu4A

query
sites
6yu4A

H

R

A

E

Q

Q

W

W

S

A

S

S

K

R

M

L

T

G

F

F

I

I

L

L

A

A

A

A

A

M

G

G

S
|
S

A
|
A

V

V

G
|
G

L
|
L

G
|
G

N

N

I

I

W

W

R

R

F

F

S

S

Y

Y

M

V

V

T

G

G

D

E

S

N

G

G

G

G

A

A

A

A

F

F

V

L

L

L

V

V

Y

Y

L

L

A

G

C

F

V

I

A

A

L

L

V

I

G

G

L

I

P

P

I

I

L

V

V

L

S

A

E

E

W

F

L

T

I

I

G

G

R

R

R

R

G

A

Q

Q

K

S

N

D

P

A

I

V

N

G

T

S

M

F

A

E

E

K

L

L

A

A

T

-

Q

-

H

-

G

-

K

P

S

G

K

K

A

P

W

W

A

K

A

V

I

A

G

G

I

L

S

M

G

G

V

V

L

A

A

A

A

G

F

F

L

L

I

I

L

L

S

S

F

F

Y
|
Y

S

G

V

V

I

I

G

A

G

G

W

W

S

I

L

L

S

F

Y

Y

T

L

L

F

G

N

S

Y

V

I

T

T

G

G

A

Q

F

L

S

W

G

S

Q

A

D

P

A

A

D

E

G

G

I

F

S

G

A

G

L

F

F

F

T

E

G

G

M

F

L

I

S

A

S

N

P

P

G

T

T

L

L

P

L

L

L

F

W

W

H

Q

S

A

I

L

F

F

M

M

L

I

L

A

V

T

I

I

V

W

I

I

V

V

A

A

R

I

G

G

V

V

T

K

K

K

G

G

L

I

E

E

A

R

A

S

V

N

R

K

T

I

M

L

M

M

P

P

A

L

L

L

L

G

I

V

L

L

M

L

L

I

V

A

L

L

V

A

G

I

Y

Y

G

S

M

L

T

T

T

L

G

G

H

G

F

A

G

K

E

E

A

G

M

L

S

A

F

F

M

L

F

F

N

S

P

P

D

D

W

W

S

S

A

A

L

L

S

K

G

D

-

P

G

G

V

V

V

Y

L

L

A

A

A

A

M

I

G

S

Q

Q

A

A

F

F

F
|
F

T
|
T

L

L

S
|
S

L

L

G

G

M
|
M

G

G

I

A

M

L

M

I

A

T

Y

Y

G

G

S

S

Y

Y

L

V

G

S

Q

K

E

D

V

S

D

R

L

L

I

P

G

G

T

A

A

A

R

V

T

S

V

V

I

A

I

G

L

L

D

D

T

T

V

A

V

F

A

A

L

I

L

I

A

A

G

G

M

I

A

M

I

I

F

F

P

P

I

A

V

V

F

F

A

A

N

L

G

G

L

L

S

S

P

P

G

S

E

G

G

G

P

P

G

G

L

L

I

V

F

F

V

V

T

V

L

L

P

P

L

D

A

I

F

F

G

D

S

S

M

I

T

R

G

L

G

G

T

P

I

I

L

V

G

G

L

I

M

A

F

F

F

F

L

I

L

L

L

L

T

G

F

A

A

A

A

A

L

L

T

S

S

S

A

A

I

V

S

S

L
|
L

L

L

E

E

P

V

V

P

V

V

E

A

F

Y

L

F

E

M

E

R

R

K

T

F

S

D

L

W

T

S

R

R

V

K

P

Q

A

A

T

A

L

I

I

T

S

L

A

G

I

V

L

I

V

I

W

T

L

L

L

L

G

G

I

I

A

P

A

S

L

S

L

L

S

S

F

F

N

G

V

V

W

L

-

G

D

E

G

V

P

T

V

I

A

I

F

P

G

G

F

L

N

N

T

I

F

F

D

D

L

S

L

V

D

D

N

F

F

I

T

A

S

S

K

S

I

V

L

F

L

L

P

P

L

L

T

G

G

G

L

M

G

I

A

I

I

A

V

L

F

F

V

I

A

G

W

W

C

G

L

W

D

K

R

T

A

S

S

D

V

A

Q

L

R

A

E

E

L

S

G

D

L

L

-

T

G

D

S

S

T

V

G

W

G

G

T

K

L

L

W

W

H

I

I

L

T

S

S

L

R

R

Y

F

I

I

A

A

P

P

I

I

G

A

V

I

I

L

C

I

V

V

F

F

V

L

binding 4-fluoro-l-phenylalanine: S18 (= S22), A19 (= A23), G21 (= G25), L22 (= L26), G23 (= G27), Y101 (= Y109), F223 (= F230), T224 (= T231), S226 (= S233), M229 (= M236), L321 (= L328)

6yu6B Crystal structure of mhst in complex with l-leucine (see paper)
46% identity, 98% coverage: 6:443/447 of query aligns to 2:438/446 of 6yu6B

query
sites
6yu6B

H

R

A

E

Q

Q

W

W

S

A

S

S

K

R

M

L

T

G

F

F

I

I

L

L

A

A

A

A

A

M

G

G

S
|
S

A
|
A

V

V

G
|
G

L

L

G
|
G

N

N

I

I

W

W

R

R

F

F

S

S

Y

Y

M

V

V

T

G

G

D

E

S

N

G

G

G

G

A

A

A

A

F

F

V

L

L

L

V

V

Y

Y

L

L

A

G

C

F

V

I

A

A

L

L

V

I

G

G

L

I

P

P

I

I

L

V

V

L

S

A

E

E

W

F

L

T

I

I

G

G

R

R

R

R

G

A

Q

Q

K

S

N

D

P

A

I

V

N

G

T

S

M

F

A

E

E

K

L

L

A

A

T

-

Q

-

H

-

G

-

K

P

S

G

K

K

A

P

W

W

A

K

A

V

I

A

G

G

I

L

S

M

G

G

V

V

L

A

A

A

A

G

F

F

L

L

I

I

L

L

S

S

F

F

Y

Y

S

G

V

V

I

I

G

A

G

G

W

W

S

I

L

L

S

F

Y

Y

T

L

L

F

G

N

S

Y

V

I

T

T

G

G

A

Q

F

L

S

W

G

S

Q

A

D

P

A

A

D

E

G

G

I

F

S

G

A

G

L

F

F

F

T

E

G

G

M

F

L

I

S

A

S

N

P

P

G

T

T

L

L

P

L

L

L

F

W

W

H

Q

S

A

I

L

F

F

M

M

L

I

L

A

V

T

I

I

V

W

I

I

V

V

A

A

R

I

G

G

V

V

T

K

K

K

G

G

L

I

E

E

A

R

A

S

V

N

R

K

T

I

M

L

M

M

P

P

A

L

L

L

L

G

I

V

L

L

M

L

L

I

V

A

L

L

V

A

G

I

Y

Y

G

S

M

L

T

T

T

L

G

G

H

G

F

A

G

K

E

E

A

G

M

L

S

A

F

F

M

L

F

F

N

S

P

P

D

D

W

W

S

S

A

A

L

L

S

K

G

D

-

P

G

G

V

V

V

Y

L

L

A

A

A

A

M

I

G

S

Q

Q

A

A

F

F

F
|
F

T
|
T

L

L

S
|
S

L

L

G

G

M
|
M

G

G

I

A

M

L

M

I

A

T

Y

Y

G

G

S

S

Y

Y

L

V

G

S

Q

K

E

D

V

S

D

R

L

L

I

P

G

G

T

A

A

A

R

V

T

S

V

V

I

A

I

G

L

L

D

D

T

T

V

A

V

F

A

A

L

I

L

I

A

A

G

G

M

I

A

M

I

I

F

F

P

P

I

A

V

V

F

F

A

A

N

L

G

G

L

L

S

S

P

P

G

S

E

G

G

G

P

P

G

G

L

L

I

V

F

F

V

V

T

V

L

L

P

P

L

D

A

I

F

F

G

D

S

S

M

I

T

R

G

L

G

G

T

P

I

I

L

V

G

G

L

I

M

A

F

F

F

F

L

I

L

L

L

L

T

G

F

A

A

A

A

A

L

L

T

S

S

S

A

A

I

V

S

S

L
|
L

L

L

E

E

P

V

V

P

V

V

E

A

F

Y

L

F

E

M

E

R

R

K

T

F

S

D

L

W

T

S

R

R

V

K

P

Q

A

A

T

A

L

I

I

T

S

L

A

G

I

V

L

I

V

I

W

T

L

L

L

L

G

G

I

I

A

P

A

S

L

S

L

L

S

S

F

F

N

G

V

V

W

L

-

G

D

E

G

V

P

T

V

I

A

I

F

P

G

G

F

L

N

N

T

I

F

F

D

D

L

S

L

V

D

D

N

F

F

I

T

A

S

S

K

S

I

V

L

F

L

L

P

P

L

L

T

G

G

G

L

M

G

I

A

I

I

A

V

L

F

F

V

I

A

G

W

W

C

G

L

W

D

K

R

T

A

S

S

D

V

A

Q

L

R

A

E

E

L

S

G

D

L

L

-

T

G

D

S

S

T

V

G

W

G

G

T

K

L

L

W

W

H

I

I

L

T

S

S

L

R

R

Y

F

I

I

A

A

P

P

I

I

G

A

V

I

I

L

C

I

V

V

F

F

V

L

binding leucine: S18 (= S22), A19 (= A23), G21 (= G25), G23 (= G27), F223 (= F230), T224 (= T231), S226 (= S233), M229 (= M236), L321 (= L328)

4us4A Crystal structure of the bacterial nss member mhst in an occluded inward-facing state (lipidic cubic phase form) (see paper)
46% identity, 96% coverage: 15:443/447 of query aligns to 2:429/433 of 4us4A

query
sites
4us4A

F

F

I

I

L

L

A

A

A

A

A

M

G
|
G

S
|
S

A
|
A

V
|
V

G
|
G

L

L

G
|
G

N
|
N

I

I

W

W

R

R

F

F

S

S

Y

Y

M

V

V

T

G

G

D

E

S

N

G

G

G

G

A

A

A

A

F

F

V

L

L

L

V

V

Y

Y

L

L

A

G

C

F

V

I

A

A

L

L

V

I

G

G

L

I

P

P

I

I

L

V

V

L

S

A

E

E

W

F

L

T

I

I

G

G

R

R

R

R

G

A

Q

Q

K

S

N

D

P

A

I

V

N

G

T

S

M

F

A

E

E

K

L

L

A

A

T

-

Q

-

H

-

G

-

K

P

S

G

K

K

A

P

W

W

A

K

A

V

I

A

G

G

I

L

S

M

G

G

V

V

L

A

A

A

A

G

F

F

L

L

I

I

L

L

S

S

F

F

Y
|
Y

S

G

V

V

I

I

G

A

G

G

W

W

S

I

L

L

S

F

Y

Y

T

L

L

F

G

N

S

Y

V

I

T

T

G

G

A

Q

F

L

S

W

G

S

Q

A

D

P

A

A

D

E

G

G

I

F

S

G

A

G

L

F

F

F

T

E

G

G

M

F

L

I

S

A

S

N

P

P

G

T

T

L

L

P

L

L

L

F

W

W

H

Q

S

A

I

L

F

F

M

M

L

I

L

A

V

T

I

I

V

W

I

I

V

V

A

A

R

I

G

G

V

V

T

K

K

K

G

G

L

I

E

E

A

R

A

S

V

N

R

K

T

I

M

L

M

M

P

P

A

L

L

L

L

G

I

V

L

L

M

L

L

I

V
x
A

L

L

V

A

G

I

Y

Y

G

S

M

L

T
|
T

T

L

G

G

H

G

F

A

G

K

E

E

A

G

M

L

S

A

F

F

M

L

F

F

N

S

P

P

D

D

W

W

S

S

A

A

L

L

S

K

G

D

-

P

G

G

V

V

V

Y

L

L

A

A

A

A

M

I

G

S

Q

Q

A

A

F

F

F
|
F

T
|
T

L

L

S
|
S

L

L

G

G

M
|
M

G

G

I

A

M

L

M

I

A

T

Y

Y

G

G

S

S

Y

Y

L

V

G

S

Q

K

E

D

V

S

D

R

L

L

I

P

G

G

T

A

A

A

R

V

T

S

V

V

I

A

I

G

L

L

D
|
D

T

T

V

A

V

F

A

A

L

I

L

I

A

A

G

G

M

I

A

M

I

I

F

F

P

P

I

A

V

V

F

F

A

A

N

L

G

G

L

L

S

S

P

P

G

S

E

G

G

G

P

P

G

G

L

L

I

V

F

F

V

V

T

V

L

L

P

P

L

D

A

I

F

F

G

D

S

S

M
x
I

T
x
R

G
x
L

G

G

T

P

I

I

L

V

G

G

L

I

M

A

F

F

F

F

L

I

L

L

L

L

T

G

F

A

A
|
A

A

A

L

L

T
x
S

S
|
S

A

A

I

V

S

S

L
|
L

L

L

E

E

P

V

V

P

V

V

E

A

F

Y

L

F

E

M

E

R

R

K

T

F

S

D

L

W

T

S

R

R

V

K

P

Q

A

A

T

A

L

I

I

T

S

L

A

G

I

V

L

I

V

I

W

T

L

L

L

L

G

G

I

I

A

P

A

S

L

S

L

L

S

S

F

F

N

G

V

V

W

L

-

G

D

E

G

V

P

T

V

I

A

I

F

P

G

G

F

L

N

N

T

I

F

F

D

D

L

S

L

V

D

D

N

F

F

I

T

A

S

S

K

S

I

V

L

F

L

L

P

P

L

L

T

G

G

G

L

M

G

I

A

I

I

A

V

L

F

F

V

I

A

G

W

W

C

G

L

W

D

K

R

T

A

S

S

D

V

A

Q

L

R

A

E

E

L

S

G

D

L

L

-

T

G

D

S

S

T

V

G

W

G

G

T

K

L

L

W

W

H

I

I

L

T

S

S

L

R

R

Y

F

I

I

A

A

P

P

I

I

G

A

V

I

I

L

C

I

V

V

F

F

V

L

binding (2s)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate: A173 (≠ V190), T180 (= T197), I287 (≠ M303), R288 (≠ T304), L289 (≠ G305)
binding sodium ion: G8 (= G21), S9 (= S22), A10 (= A23), V11 (= V24), V11 (= V24), N15 (= N28), T215 (= T231), D247 (= D263), A304 (= A320), S307 (≠ T323), S308 (= S324)
binding tryptophan: S9 (= S22), A10 (= A23), G12 (= G25), G14 (= G27), Y92 (= Y109), F214 (= F230), T215 (= T231), S217 (= S233), M220 (= M236), L312 (= L328)

3gwwA Leucine transporter leut in complex with s-fluoxetine (see paper)
29% identity, 96% coverage: 6:435/447 of query aligns to 1:448/501 of 3gwwA

query
sites
3gwwA

H

R

A

E

Q

H

W

W

S

A

S

T

K

R

M

L

T

G

F

L

I

I

L

L

A

A

A

M

A

A

G

G

S

N

A
|
A

V

V

G
|
G

L
|
L

G
|
G

N

N

I

F

W

L

R
|
R

F

F

S

P

Y

V

M

Q

V

A

G

A

D

E

S

N

G

G

G

G

A

G

A

A

F

F

V

M

L

I

V

P

Y

Y

L

I

A

I

C

A

V

F

A

L

L

L

V

V

G

G

L

I

P

P

I

L

L

M

V

W

S

I

E

E

W

W

L

A

I

M

G

G

R

R

R

Y

G

G

Q

G

K

A

N

Q

P

G

I

H

N

G

T

T

M

T

A

P

E

A

L

I

A

F

T

Y

Q

L

H

L

G

W

K

R

S

N

K

R

A

F

W

A

A

K

A

I

I

L

G

G

I

V

S

F

G

G

V

L

L

W

A

I

A

P

F

L

L

V

I

V

L

A

S

I

F

Y

Y
|
Y

S

V

V

Y

I

I

G

E

G

S

W

W

S

T

L

L

S

G

Y

F

T

A

L

I

G

K

S

F

V

L

T

V

G

G

A

L

F

V

S

P

G

E

Q

P

D

P

A

P

D

D

G

S

I

I

S

L

A

R

L

P

F

F

T

K

G

E

M

F

L

L

S

Y

S

S

-

Y

-

I

-

G

-

V

P

P

-

K

-

G

G

D

T

E

L

P

L

I

L

L

W

K

H

P

S

S

I

L

F

F

-

A

-

Y

-

I

-

V

-

F

-

L

-

I

-

T

M

M

L

F

L

I

V

N

I

V

V

S

I

I

V

L

A

I

R

R

G

G

V

I

T

S

K

K

G

G

L

I

E

E

A

R

A

F

V

A

R

K

T

I

M

A

M

M

P

P

A

T

L

L

L

F

I

I

L

L

M

A

L

V

V

F

L

L

V

V

G

I

Y

R

-

V

-

F

-

L

-

L

G

E

M

T

T

P

T

N

G

G

H

T

F

A

G

A

E

D

A

G

M

L

S

N

F

F

M

L

F

W

N

T

P

P

D

D

W

F

S

E

A

K

L

L

S

K

G

D

-

P

G

G

V

V

V

W

L

I

A

A

A

A

M

V

G

G

Q

Q

A

I

F

F

F
|
F

T
|
T

L

L

S
|
S

L

L

G

G

M
x
F

G

G

I

A

M

I

M

I

A

T

Y

Y

G

A

S

S

Y

Y

L

V

G

R

Q

K

E

D

V

Q

D

D

L

I

I

V

G

L

T

S

-

G

-

L

-

T

-

A

-

A

-

T

-

L

-

N

A

E

R

K

T

A

V

E

I

V

I

I

L

L

D

G

T

G

V

S

V

I

A

S

L

I

L

P

A

A

G

A

M

V

A

A

I

F

F

F

P

G

I

V

V

A

F

N

A

A

N

V

G

A

L

I

S

A

P

K

G

A

E

G

G
x
A

P
x
F

G

N

L

L

I

G

F

F

V

I

T

T

L

L

P

P

L

A

A

I

F

F

G

S

S

Q

M

T

T

A

G

G

G

G

T

T

I

F

L

L

G

G

L

F

M

L

F

W

F

F

L

F

L

L

L

L

T

F

F

F

A

A

A

G

L

L

T

T

S

S

A

S

I

I

S

A

L
x
I

L

M

E

Q

P

P

V

M

V

I

E

A

F

F

L

L

E

E

E

D

R

E

T

L

S

K

L

L

T

S

R

R

V

K

P

H

A

A

T

V

L

L

I

W

S

T

A

A

I

A

L

I

V

V

W

F

L

F

L

-

G

-

I

-

A

S

A

A

L

H

L

L

S

-

F

-

N

-

V

-

W

-

D

-

G

-

P

-

V

V

A

M

F

F

G

L

F

N

N

K

T

S

F

L

D
|
D

L

E

L

M

D
|
D

N

F

F

W

T

A

S

G

K

T

I

I

L

G

L

V

P

V

L

F

T

F

G

G

L

L

G

T

A

E

I

L

V

I

F

I

V

F

A

F

W

W

C

I

L

F

D

G

R

A

A

D

S

K

V

A

Q

W

R

E

E

E

L

I

G

N

L

R

G

G

S

G

-

I

-

I

T

K

G

V

G

P

T

R

L

I

W

Y

H

Y

I

Y

T

V

S

M

R

R

Y

Y

I

I

A

T

P

P

binding leucine: A18 (= A23), G20 (= G25), G22 (= G27), Y104 (= Y109), F244 (= F230), T245 (= T231), S247 (= S233), F250 (≠ M236), I350 (≠ L328)
binding (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine: L21 (= L26), G22 (= G27), R26 (= R31), Y104 (= Y109), A310 (≠ G288), F311 (≠ P289), D392 (= D381), D395 (= D384)

2q6hA Crystal structure analysis of leut complexed with l-leucine, sodium, and clomipramine (see paper)
29% identity, 97% coverage: 4:435/447 of query aligns to 1:453/512 of 2q6hA

query
sites
2q6hA

L

V

S

K

H

R

A

E

Q

H

W

W

S

A

S

T

K

R

M

L

T

G

F

L

I

I

L

L

A

A

A

M

A

A

G
|
G

S

N

A
|
A

V
|
V

G
|
G

L

L

G
|
G

N
|
N

I

F

W

L

R
|
R

F

F

S

P

Y

V

M
x
Q

V

A

G

A

D

E

S

N

G

G

G

G

A

G

A

A

F

F

V

M

L

I

V

P

Y

Y

L

I

A

I

C

A

V

F

A

L

L

L

V

V

G

G

L

I

P

P

I

L

L

M

V

W

S

I

E

E

W

W

L

A

I

M

G

G

R

R

R

Y

G

G

Q

G

K

A

N

Q

P

G

I

H

N

G

T

T

M

T

A

P

E

A

L

I

A

F

T

Y

Q

L

H

L

G

W

K

R

S

N

K

R

A

F

W

A

A

K

A

I

I

L

G

G

I

V

S

F

G

G

V

L

L

W

A

I

A

P

F

L

L

V

I

V

L

A

S

I

F

Y

Y
|
Y

S

V

V

Y

I

I

G

E

G

S

W

W

S

T

L

L

S

G

Y

F

T

A

L

I

G

K

S

F

V

L

T

V

G

G

A

L

F

V

S

P

G

E

Q

P

-

P

-

P

-

T

D

D

A

P

D

D

G

S

I

I

S

L

A

R

L

P

F

F

T

K

G

E

M

F

L

L

S

Y

S

S

-

Y

-

I

-

G

-

V

P

P

-

K

-

G

G

D

T

E

L

P

L

I

L

L

W

K

H

P

S

S

I

L

F

F

-

A

-

Y

-

I

-

V

-

F

-

L

-

I

-

T

M

M

L

F

L

I

V

N

I

V

V

S

I

I

V

L

A

I

R

R

G

G

V

I

T

S

K

K

G

G

L

I

E

E

A
x
R

A
x
F

V

A

R

K

T
x
I

M

A

M

M

P

P

A

T

L

L

L

F

I

I

L

L

M

A

L

V

V

F

L

L

V

V

G

I

Y

R

-

V

-

F

-

L

-

L

G

E

M

T

T

P

T

N

G

G

H

T

F

A

G

A

E

D

A

G

M

L

S

N

F

F

M

L

F

W

N

T

P

P

D

D

W

F

S

E

A

K

L

L

S

K

G

D

-

P

G

G

V

V

V

W

L

I

A

A

A

A

M

V

G

G

Q

Q

A

I

F

F

F
|
F

T
|
T

L

L

S
|
S

L

L

G

G

M
x
F

G

G

I

A

M

I

M

I

A

T

Y

Y

G

A

S

S

Y

Y

L

V

G

R

Q

K

E

D

V

Q

D

D

L

I

I

V

G

L

T

S

-

G

-

L

-

T

-

A

-

A

-

T

-

L

-
x
N

A

E

R

K

T

A

V

E

I

V

I

I

L

L

D

G

T

G

V

S

V

I

A

S

L

I

L

P

A

A

G

A

M

V

A

A

I

F

F

F

P

G

I

V

V

A

F

N

A

A

N

V

G

A

L

I

S

A

P

K

G

A

E

G

G

A

P
x
F

G

N

L

L

I

G

F

F

V

I

T

T

L

L

P

P

L

A

A

I

F

F

G

S

S

Q

M

T

T

A

G

G

G

G

T

T

I

F

L

L

G

G

L

F

M

L

F

W

F

F

L

F

L

L

L

L

T

F

F
|
F

A
|
A

A

G

L

L

T
|
T

S
|
S

A

S

I

I

S

A

L

I

L

M

E

Q

P

P

V

M

V

I

E

A

F

F

L

L

E

E

E

D

R

E

T

L

S

K

L

L

T

S

R

R

V

K

P

H

A

A

T

V

L

L

I

W

S

T

A

A

I

A

L

I

V

V

W

F

L

F

L

-

G

-

I

-

A

S

A

A

L

H

L

L

S

-

F

-

N

-

V

-

W

-

D

-

G

-

P

-

V

V

A

M

F

F

G

L

F

N

N

K

T

S

F
x
L

D
|
D

L

E

L

M

D

D

N

F

F

W

T

A

S

G

K

T

I

I

L

G

L

V

P

V

L

F

T

F

G

G

L

L

G

T

A

E

I

L

V

I

F

I

V

F

A

F

W

W

C

I

L

F

D

G

R

A

A

D

S

K

V

A

Q

W

R

E

E

E

L

I

G

N

L

R

G

G

S

G

-

I

-

I

T

K

G

V

G

P

T

R

L

I

W

Y

H

Y

I

Y

T

V

S

M

R

R

Y

Y

I

I

A

T

P

P

binding 3-(3-chloro-5h-dibenzo[b,f]azepin-5-yl)-n,n-dimethylpropan-1-amine: R28 (= R31), Q32 (≠ M35), R189 (≠ A175), F190 (≠ A176), I193 (≠ T179), F316 (≠ P289), F346 (= F319), L396 (≠ F380), D397 (= D381)
binding leucine: A20 (= A23), G22 (= G25), G24 (= G27), Y106 (= Y109), F249 (= F230), T250 (= T231), S252 (= S233), F255 (≠ M236)
binding sodium ion: G18 (= G21), A20 (= A23), V21 (= V24), V21 (= V24), G22 (= G25), N25 (= N28), T250 (= T231), N282 (vs. gap), A347 (= A320), T350 (= T323), S351 (= S324)

3f3aA Crystal structure of leut bound to l-tryptophan and sodium (see paper)
29% identity, 96% coverage: 6:435/447 of query aligns to 1:450/504 of 3f3aA

query
sites
3f3aA

H

R

A

E

Q

H

W

W

S

A

S

T

K
x
R

M

L

T

G

F

L

I

I

L

L

A

A

A

M

A

A

G
|
G

S
x
N

A
|
A

V
|
V

G
|
G

L
|
L

G
|
G

N
|
N

I

F

W

L

R
|
R

F

F

S

P

Y

V

M

Q

V

A

G

A

D

E

S

N

G

G

G

G

A

G

A

A

F

F

V

M

L

I

V

P

Y

Y

L

I

A

I

C

A

V

F

A

L

L

L

V

V

G

G

L

I

P

P

I

L

L

M

V

W

S

I

E

E

W

W

L

A

I

M

G

G

R

R

R

Y

G

G

Q

G

K

A

N

Q

P

G