SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing GFF878 FitnessBrowser__Marino:GFF878 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: 15:456/460 of query aligns to 5:438/446 of 6yu6B

query
sites
6yu6B

W

W

S

A

S

S

R

R

M

L

A

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

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

I

V

Y

Y

L

L

A

G

C

F

I

I

F

A

L

L

I

I

G

G

V

I

P

P

V

I

L

V

I

L

A

A

E

E

T

F

M

T

I

I

G

G

R

R

R

R

G

A

G

Q

Q

S

S

D

P

A

V

V

A

G

T

S

M

F

R

E

T

K

L

L

T

A

K

P

T

-

E

-

G

-

T

-

A

G

R

K

G

P

W

W

R

K

A

V

I

A

G

G

W

L

N

M

G

G

V

V

I

A

A

A

S

G

F

F

L

L

V

I

L

L

S

S

F

F

Y

Y

A

G

V

V

I

I

G

A

G

G

W

W

A

I

L

L

V

F

Y

Y

I

L

G

F

K

N

A

Y

A

I

T

T

G

G

L

Q

F

L

T

W

G

S

A

A

D

P

A

A

E

E

A

G

I

F

G

G

G

G

Q

F

F

F

G

E

G

G

L

F

L

I

A

A

N

N

P

P

W

T

E

L

L

P

L

L

M

F

W

W

H

Q

S

A

V

L

F

F

M

M

V

I

I

A

V

T

V

I

F

W

I

I

V

V

G

A

R

I

G

G

I

V

R

K

S

K

G

G

L

I

E

E

K

R

A

S

V

N

N

K

M

I

L

L

M

M

P

P

L

L

L

L

F

G

V

V

L

L

L

L

V

I

A

A

M

L

V

A

I

I

Y

Y

A

S

M

L

N

T

S

L

G

G

S

G

F

A

G

K

R

E

A

G

V

L

S

A

F

F

M

L

F

F

S

S

P

P

D

D

F

W

S

S

K

A

L

L

T

K

T

D

A

P

G

G

V

V

-

Y

L

L

T

A

A

A

L

I

G

S

H

Q

A

A

A

F

F
|
F

T
|
T

L

L

S
|
S

I

L

G

G

I
x
M

G

G

V

A

L

L

M

I

A

T

Y

Y

G

G

S

S

Y

Y

L

V

P

S

K

K

T

D

V

S

N

R

I

L

A

P

R

G

T

A

A

A

M

V

T

S

I

V

A

A

V

G

V

L

D

D

T

T

S

A

V

F

A

A

L

I

L

I

A

A

G

G

L

I

A

M

I

I

F

F

P

P

L

A

V

V

F

F

A

A

N

L

G

G

L

L

E

S

P

P

G

S

A

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

Q

S

M

I

S

R

G

L

G

G

A

P

L

I

F

V

G

G

T

I

I

A

F

F

F

F

A

I

L

L

L

L

L

G

V

A

A

A

A

A

I

L

T

S

S

S

A

A

I

V

S

S

M
x
L

L

L

E

E

P

V

V

P

V

V

E

A

W

Y

L

F

E

M

E

R

H

K

K

F

G

D

V

W

S

S

R

R

A

K

K

Q

S

A

A

A

I

I

G

T

G

L

G

G

L

V

A

I

I

I

W

T

F

L

I

L

G

G

I

I

G

P

T

S

V

S

L

L

S

S

F

F

N

G

V

V

W

-

E

-

S

-

V

-

H

-

P

-

L

L

G

G

F

E

I

V

P

T

F

I

F

I

E

P

G

G

K

L

T

N

V

I

F

F

D

D

L

S

L

V

D

D

F

F

L

I

V

A

S

S

N

S

L

V

M

F

M

L

P

P

L

L

G

G

G

G

L

M

A

I

I

I

A

A

L

L

F

F

A

I

G

G

W

W

A

G

M

W

K

K

R

T

E

S

S

D

L

A

P

L

A

A

D

E

I

S

G

D

L

L

Q

T

G

D

S

S

S

V

Y

W

-

G

K

K

A

L

F

W

M

I

F

L

V

S

L

L

R

R

Y

F

L

I

T

A

P

P

A

I

G

A

I

I

A

L

V

I

V

V

F

F

L

L

binding leucine: S18 (= S28), A19 (= A29), G21 (= G31), G23 (= G33), F223 (= F236), T224 (= T237), S226 (= S239), M229 (≠ I242), L321 (≠ M334)

6yu5A Crystal structure of mhst in complex with l-valine (see paper)
45% identity, 97% coverage: 12:456/460 of query aligns to 2:438/441 of 6yu5A

query
sites
6yu5A

N

R

N

E

L

Q

W

W

S

A

S

S

R

R

M

L

A

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

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

I

V

Y

Y

L

L

A

G

C

F

I

I

F

A

L

L

I

I

G

G

V

I

P

P

V

I

L

V

I

L

A

A

E

E

T

F

M

T

I

I

G

G

R

R

R

R

G

A

G

Q

Q

S

S

D

P

A

V

V

A

G

T

S

M

F

R

E

T

K

L

L

T

A

K

P

T

-

E

-

G

-

T

-

A

G

R

K

G

P

W

W

R

K

A

V

I

A

G

G

W

L

N

M

G

G

V

V

I

A

A

A

S

G

F

F

L

L

V

I

L

L

S

S

F

F

Y
|
Y

A

G

V

V

I

I

G

A

G

G

W

W

A

I

L

L

V

F

Y

Y

I

L

G

F

K

N

A

Y

A

I

T

T

G

G

L

Q

F

L

T

W

G

S

A

A

D

P

A

A

E

E

A

G

I

F

G

G

G

G

Q

F

F

F

G

E

G

G

L

F

L

I

A

A

N

N

P

P

W

T

E

L

L

P

L

L

M

F

W

W

H

Q

S

A

V

L

F

F

M

M

V

I

I

A

V

T

V

I

F

W

I

I

V

V

G

A

R

I

G

G

I

V

R

K

S

K

G

G

L

I

E

E

K

R

A

S

V

N

N

K

M

I

L

L

M

M

P

P

L

L

L

L

F

G

V

V

L

L

L

L

V

I

A

A

M

L

V

A

I

I

Y

Y

A

S

M

L

N

T

S

L

G

G

S

G

F

A

G

K

R

E

A

G

V

L

S

A

F

F

M

L

F

F

S

S

P

P

D

D

F

W

S

S

K

A

L

L

T

K

T

D

A

P

G

G

V

V

-

Y

L

L

T

A

A

A

L

I

G

S

H

Q

A

A

A

F

F
|
F

T
|
T

L

L

S
|
S

I

L

G

G

I

M

G

G

V

A

L

L

M

I

A

T

Y

Y

G

G

S

S

Y

Y

L

V

P

S

K

K

T

D

V

S

N

R

I

L

A

P

R

G

T

A

A

A

M

V

T

S

I

V

A

A

V

G

V

L

D

D

T

T

S

A

V

F

A

A

L

I

L

I

A

A

G

G

L

I

A

M

I

I

F

F

P

P

L

A

V

V

F

F

A

A

N

L

G

G

L

L

E

S

P

P

G

S

A

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

Q

S

M

I

S

R

G

L

G

G

A

P

L

I

F

V

G

G

T

I

I

A

F

F

F

F

A

I

L

L

L

L

L

G

V

A

A

A

A

A

I

L

T

S

S
|
S

A

A

I

V

S

S

M

L

L

L

E

E

P

V

V

P

V

V

E

A

W

Y

L

F

E

M

E

R

H

K

K

F

G

D

V

W

S

S

R

R

A

K

K

Q

S

A

A

A

I

I

G

T

G

L

G

G

L

V

A

I

I

I

W

T

F

L

I

L

G

G

I

I

G

P

T

S

V

S

L

L

S

S

F

F

N

G

V

V

W

-

E

-

S

-

V

-

H

-

P

-

L

L

G

G

F

E

I

V

P

T

F

I

F

I

E

P

G

G

K

L

T

N

V

I

F

F

D

D

L

S

L

V

D

D

F

F

L

I

V

A

S

S

N

S

L

V

M

F

M

L

P

P

L

L

G

G

G

G

L

M

A

I

I

I

A

A

L

L

F

F

A

I

G

G

W

W

A

G

M

W

K

K

R

T

E

S

S

D

L

A

P

L

A

A

D

E

I

S

G

D

L

L

Q

T

G

D

S

S

S

V

Y

W

-

G

K

K

A

L

F

W

M

I

F

L

V

S

L

L

R

R

Y

F

L

I

T

A

P

P

A

I

G

A

I

I

A

L

V

I

V

V

F

F

L

L

binding valine: S18 (= S28), A19 (= A29), G23 (= G33), Y101 (= Y115), F223 (= F236), T224 (= T237), S226 (= S239), S317 (= S330)

6yu3A Crystal structure of mhst in complex with l-phenylalanine (see paper)
45% identity, 97% coverage: 12:456/460 of query aligns to 2:438/441 of 6yu3A

query
sites
6yu3A

N

R

N

E

L

Q

W

W

S

A

S

S

R

R

M

L

A

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

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

I

V

Y

Y

L

L

A

G

C

F

I

I

F

A

L

L

I

I

G

G

V

I

P

P

V

I

L

V

I

L

A

A

E

E

T

F

M

T

I

I

G

G

R

R

R

R

G

A

G

Q

Q

S

S

D

P

A

V

V

A

G

T

S

M

F

R

E

T

K

L

L

T

A

K

P

T

-

E

-

G

-

T

-

A

G

R

K

G

P

W

W

R

K

A

V

I

A

G

G

W

L

N

M

G

G

V

V

I

A

A

A

S

G

F

F

L

L

V

I

L

L

S

S

F

F

Y
|
Y

A

G

V

V

I

I

G

A

G

G

W

W

A

I

L

L

V

F

Y

Y

I

L

G

F

K

N

A

Y

A

I

T

T

G

G

L

Q

F

L

T

W

G

S

A

A

D

P

A

A

E

E

A

G

I

F

G

G

G

G

Q

F

F

F

G

E

G

G

L

F

L

I

A

A

N

N

P

P

W

T

E

L

L

P

L

L

M

F

W

W

H

Q

S

A

V

L

F

F

M

M

V

I

I

A

V

T

V

I

F

W

I

I

V

V

G

A

R

I

G

G

I

V

R

K

S

K

G

G

L

I

E

E

K

R

A

S

V

N

N

K

M

I

L

L

M

M

P

P

L

L

L

L

F

G

V

V

L

L

L

L

V

I

A

A

M

L

V

A

I

I

Y

Y

A

S

M

L

N

T

S

L

G

G

S

G

F

A

G

K

R

E

A

G

V

L

S

A

F

F

M

L

F

F

S

S

P

P

D

D

F

W

S

S

K

A

L

L

T

K

T

D

A

P

G

G

V

V

-

Y

L

L

T

A

A

A

L

I

G

S

H

Q

A

A

A

F

F
|
F

T
|
T

L

L

S
|
S

I

L

G

G

I
x
M

G

G

V

A

L

L

M

I

A

T

Y

Y

G

G

S

S

Y

Y

L

V

P

S

K

K

T

D

V

S

N

R

I

L

A

P

R

G

T

A

A

A

M

V

T

S

I

V

A

A

V

G

V

L

D

D

T

T

S

A

V

F

A

A

L

I

L

I

A

A

G

G

L

I

A

M

I

I

F

F

P

P

L

A

V

V

F

F

A

A

N

L

G

G

L

L

E

S

P

P

G

S

A

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

Q

S

M

I

S

R

G

L

G

G

A

P

L

I

F

V

G

G

T

I

I

A

F

F

F

F

A

I

L

L

L

L

L

G

V

A

A

A

A

A

I

L

T

S

S

S

A

A

I

V

S

S

M
x
L

L

L

E

E

P

V

V

P

V

V

E

A

W

Y

L

F

E

M

E

R

H

K

K

F

G

D

V

W

S

S

R

R

A

K

K

Q

S

A

A

A

I

I

G

T

G

L

G

G

L

V

A

I

I

I

W

T

F

L

I

L

G

G

I

I

G

P

T

S

V

S

L

L

S

S

F

F

N

G

V

V

W

-

E

-

S

-

V

-

H

-

P

-

L

L

G

G

F

E

I

V

P

T

F

I

F

I

E

P

G

G

K

L

T

N

V

I

F

F

D

D

L

S

L

V

D

D

F

F

L

I

V

A

S

S

N

S

L

V

M

F

M

L

P

P

L

L

G

G

G

G

L

M

A

I

I

I

A

A

L

L

F

F

A

I

G

G

W

W

A

G

M

W

K

K

R

T

E

S

S

D

L

A

P

L

A

A

D

E

I

S

G

D

L

L

Q

T

G

D

S

S

S

V

Y

W

-

G

K

K

A

L

F

W

M

I

F

L

V

S

L

L

R

R

Y

F

L

I

T

A

P

P

A

I

G

A

I

I

A

L

V

I

V

V

F

F

L

L

binding phenylalanine: S18 (= S28), A19 (= A29), G21 (= G31), G23 (= G33), Y101 (= Y115), F223 (= F236), T224 (= T237), S226 (= S239), M229 (≠ I242), L321 (≠ M334)

6yu2A Crystal structure of mhst in complex with l-isoleucine (see paper)
45% identity, 97% coverage: 12:456/460 of query aligns to 2:438/441 of 6yu2A

query
sites
6yu2A

N

R

N

E

L

Q

W

W

S

A

S

S

R

R

M

L

A

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

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

I

V

Y

Y

L

L

A

G

C

F

I

I

F

A

L

L

I

I

G

G

V

I

P

P

V

I

L

V

I

L

A

A

E

E

T

F

M

T

I

I

G

G

R

R

R

R

G

A

G

Q

Q

S

S

D

P

A

V

V

A

G

T

S

M

F

R

E

T

K

L

L

T

A

K

P

T

-

E

-

G

-

T

-

A

G

R

K

G

P

W

W

R

K

A

V

I

A

G

G

W

L

N

M

G

G

V

V

I

A

A

A

S

G

F

F

L

L

V

I

L

L

S

S

F

F

Y
|
Y

A

G

V

V

I

I

G

A

G

G

W

W

A

I

L

L

V

F

Y

Y

I

L

G

F

K

N

A

Y

A

I

T

T

G

G

L

Q

F

L

T

W

G

S

A

A

D

P

A

A

E

E

A

G

I

F

G

G

G

G

Q

F

F

F

G

E

G

G

L

F

L

I

A

A

N

N

P

P

W

T

E

L

L

P

L

L

M

F

W

W

H

Q

S

A

V

L

F

F

M

M

V

I

I

A

V

T

V

I

F

W

I

I

V

V

G

A

R

I

G

G

I

V

R

K

S

K

G

G

L

I

E

E

K

R

A

S

V

N

N

K

M

I

L

L

M

M

P

P

L

L

L

L

F

G

V

V

L

L

L

L

V

I

A

A

M

L

V

A

I

I

Y

Y

A

S

M

L

N

T

S

L

G

G

S

G

F

A

G

K

R

E

A

G

V

L

S

A

F

F

M

L

F

F

S

S

P

P

D

D

F

W

S

S

K

A

L

L

T

K

T

D

A

P

G

G

V

V

-

Y

L

L

T

A

A

A

L

I

G

S

H

Q

A

A

A

F

F
|
F

T

T

L

L

S

S

I

L

G

G

I
x
M

G

G

V

A

L

L

M

I

A

T

Y

Y

G

G

S

S

Y

Y

L

V

P

S

K

K

T

D

V

S

N

R

I

L

A

P

R

G

T

A

A

A

M

V

T

S

I

V

A

A

V

G

V

L

D

D

T

T

S

A

V

F

A

A

L

I

L

I

A

A

G

G

L

I

A

M

I

I

F

F

P

P

L

A

V

V

F

F

A

A

N

L

G

G

L

L

E

S

P

P

G

S

A

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

Q

S

M

I

S

R

G

L

G

G

A

P

L

I

F

V

G

G

T

I

I

A

F

F

F

F

A

I

L

L

L

L

L

G

V

A

A

A

A

A

I

L

T

S

S
|
S

A

A

I

V

S

S

M

L

L

L

E

E

P

V

V

P

V

V

E

A

W

Y

L

F

E

M

E

R

H

K

K

F

G

D

V

W

S

S

R

R

A

K

K

Q

S

A

A

A

I

I

G

T

G

L

G

G

L

V

A

I

I

I

W

T

F

L

I

L

G

G

I

I

G

P

T

S

V

S

L

L

S

S

F

F

N

G

V

V

W

-

E

-

S

-

V

-

H

-

P

-

L

L

G

G

F

E

I

V

P

T

F

I

F

I

E

P

G

G

K

L

T

N

V

I

F

F

D

D

L

S

L

V

D

D

F

F

L

I

V

A

S

S

N

S

L

V

M

F

M

L

P

P

L

L

G

G

G

G

L

M

A

I

I

I

A

A

L

L

F

F

A

I

G

G

W

W

A

G

M

W

K

K

R

T

E

S

S

D

L

A

P

L

A

A

D

E

I

S

G

D

L

L

Q

T

G

D

S

S

S

V

Y

W

-

G

K

K

A

L

F

W

M

I

F

L

V

S

L

L

R

R

Y

F

L

I

T

A

P

P

A

I

G

A

I

I

A

L

V

I

V

V

F

F

L

L

binding isoleucine: S18 (= S28), A19 (= A29), G21 (= G31), G23 (= G33), Y101 (= Y115), F223 (= F236), M229 (≠ I242), S317 (= S330)

4us3A Crystal structure of the bacterial nss member mhst in an occluded inward-facing state (see paper)
45% identity, 97% coverage: 12:456/460 of query aligns to 2:438/441 of 4us3A

query
sites
4us3A

N

R

N

E

L

Q

W

W

S

A

S

S

R

R

M

L

A

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

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

I

V

Y

Y

L

L

A

G

C

F

I

I

F

A

L

L

I

I

G

G

V

I

P

P

V

I

L

V

I

L

A

A

E

E

T

F

M

T

I

I

G

G

R

R

R

R

G

A

G

Q

Q

S

S

D

P

A

V

V

A

G

T

S

M

F

R

E

T

K

L

L

T

A

K

P

T

-

E

-

G

-

T

-

A

G

R

K

G

P

W

W

R

K

A

V

I

A

G

G

W

L

N

M

G

G

V

V

I

A

A

A

S

G

F

F

L

L

V

I

L

L

S

S

F

F

Y
|
Y

A

G

V

V

I

I

G

A

G

G

W

W

A

I

L

L

V

F

Y

Y

I

L

G

F

K

N

A

Y

A

I

T

T

G

G

L

Q

F

L

T

W

G

S

A

A

D

P

A

A

E

E

A

G

I

F

G

G

G

G

Q

F

F

F

G

E

G

G

L

F

L

I

A

A

N

N

P

P

W

T

E

L

L

P

L

L

M

F

W

W

H

Q

S

A

V

L

F

F

M

M

V

I

I

A

V

T

V

I

F

W

I

I

V

V

G

A

R

I

G

G

I

V

R

K

S

K

G

G

L

I

E

E

K

R

A

S

V

N

N

K

M

I

L

L

M

M

P

P

L

L

L

L

F

G

V

V

L

L

L

L

V

I

A

A

M

L

V

A

I

I

Y

Y

A

S

M

L

N

T

S

L

G

G

S

G

F

A

G

K

R

E

A

G

V

L

S

A

F

F

M

L

F

F

S

S

P

P

D

D

F

W

S

S

K

A

L

L

T

K

T

D

A

P

G

G

V

V

-

Y

L

L

T

A

A

A

L

I

G

S

H

Q

A

A

A

F

F
|
F

T
|
T

L

L

S
|
S

I

L

G

G

I
x
M

G

G

V

A

L

L

M

I

A

T

Y

Y

G

G

S

S

Y

Y

L

V

P

S

K

K

T

D

V

S

N

R

I

L

A

P

R

G

T

A

A

A

M

V

T

S

I

V

A

A

V

G

V

L

D
|
D

T

T

S

A

V

F

A

A

L

I

L

I

A

A

G

G

L

I

A

M

I

I

F

F

P

P

L

A

V

V

F

F

A

A

N

L

G

G

L

L

E

S

P

P

G

S

A

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

Q

S

M

I

S

R

G

L

G

G

A

P

L

I

F

V

G

G

T

I

I

A

F

F

F

F

A

I

L

L

L

L

L

G

V

A

A
|
A

A

A

I

L

T
x
S

S
|
S

A

A

I

V

S
|
S

M
x
L

L

L

E

E

P

V

V

P

V

V

E

A

W

Y

L

F

E

M

E

R

H

K

K

F

G

D

V

W

S

S

R

R

A

K

K

Q

S

A

A

A

I

I

G

T

G

L

G

G

L

V

A

I

I

I

W

T

F

L

I

L

G

G

I

I

G

P

T

S

V

S

L

L

S

S

F

F

N

G

V

V

W

-

E

-

S

-

V

-

H

-

P

-

L

L

G

G

F

E

I

V

P

T

F

I

F

I

E

P

G

G

K

L

T

N

V

I

F

F

D

D

L

S

L

V

D

D

F

F

L

I

V

A

S

S

N

S

L

V

M

F

M

L

P

P

L

L

G

G

G

G

L

M

A

I

I

I

A

A

L

L

F

F

A

I

G

G

W

W

A

G

M

W

K

K

R

T

E

S

S

D

L

A

P

L

A

A

D

E

I

S

G

D

L

L

Q

T

G

D

S

S

S

V

Y

W

-

G

K

K

A

L

F

W

M

I

F

L

V

S

L

L

R

R

Y

F

L

I

T

A

P

P

A

I

G

A

I

I

A

L

V

I

V

V

F

F

L

L

binding sodium ion: G17 (= G27), A19 (= A29), V20 (= V30), V20 (= V30), G21 (= G31), N24 (= N34), T224 (= T237), D256 (= D269), A313 (= A326), S316 (≠ T329), S317 (= S330)
binding tryptophan: S18 (= S28), A19 (= A29), L22 (= L32), G23 (= G33), Y101 (= Y115), F223 (= F236), T224 (= T237), S226 (= S239), M229 (≠ I242), S320 (= S333), L321 (≠ M334)

6yu7A Crystal structure of mhst in complex with l-tyrosine (see paper)
45% identity, 97% coverage: 12:456/460 of query aligns to 2:438/442 of 6yu7A

query
sites
6yu7A

N

R

N

E

L

Q

W

W

S

A

S

S

R

R

M

L

A

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

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

I

V

Y

Y

L

L

A

G

C

F

I

I

F

A

L

L

I

I

G

G

V

I

P

P

V

I

L

V

I

L

A

A

E

E

T

F

M

T

I

I

G

G

R

R

R

R

G

A

G

Q

Q

S

S

D

P

A

V

V

A

G

T

S

M

F

R

E

T

K

L

L

T

A

K

P

T

-

E

-

G

-

T

-

A

G

R

K

G

P

W

W

R

K

A

V

I

A

G

G

W

L

N

M

G

G

V

V

I

A

A

A

S

G

F

F

L

L

V

I

L

L

S

S

F

F

Y
|
Y

A

G

V

V

I

I

G

A

G

G

W

W

A

I

L

L

V

F

Y

Y

I

L

G

F

K

N

A

Y

A

I

T

T

G

G

L

Q

F

L

T

W

G

S

A

A

D

P

A

A

E

E

A

G

I

F

G

G

G

G

Q

F

F

F

G

E

G

G

L

F

L

I

A

A

N

N

P

P

W

T

E

L

L

P

L

L

M

F

W

W

H

Q

S

A

V

L

F

F

M

M

V

I

I

A

V

T

V

I

F

W

I

I

V

V

G

A

R

I

G

G

I

V

R

K

S

K

G

G

L

I

E

E

K

R

A

S

V

N

N

K

M

I

L

L

M

M

P

P

L

L

L

L

F

G

V

V

L

L

L

L

V

I

A

A

M

L

V

A

I

I

Y

Y

A

S

M

L

N

T

S

L

G

G

S

G

F

A

G

K

R

E

A

G

V

L

S

A

F

F

M

L

F

F

S

S

P

P

D

D

F

W

S

S

K

A

L

L

T

K

T

D

A

P

G

G

V

V

-

Y

L

L

T

A

A

A

L

I

G

S

H

Q

A

A

A

F

F
|
F

T
|
T

L

L

S
|
S

I

L

G

G

I
x
M

G

G

V

A

L

L

M

I

A

T

Y

Y

G

G

S

S

Y

Y

L

V

P

S

K

K

T

D

V

S

N

R

I

L

A

P

R

G

T

A

A

A

M

V

T

S

I

V

A

A

V

G

V

L

D

D

T

T

S

A

V

F

A

A

L

I

L

I

A

A

G

G

L

I

A

M

I

I

F

F

P

P

L

A

V

V

F

F

A

A

N

L

G

G

L

L

E

S

P

P

G

S

A

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

Q

S

M

I

S

R

G

L

G

G

A

P

L

I

F

V

G

G

T

I

I

A

F

F

F

F

A

I

L

L

L

L

L

G

V

A

A

A

A

A

I

L

T

S

S

S

A

A

I

V

S

S

M
x
L

L

L

E

E

P

V

V

P

V

V

E

A

W

Y

L

F

E

M

E

R

H

K

K

F

G

D

V

W

S

S

R

R

A

K

K

Q

S

A

A

A

I

I

G

T

G

L

G

G

L

V

A

I

I

I

W

T

F

L

I

L

G

G

I

I

G

P

T

S

V

S

L

L

S

S

F

F

N

G

V

V

W

-

E

-

S

-

V

-

H

-

P

-

L

L

G

G

F

E

I

V

P

T

F

I

F

I

E

P

G

G

K

L

T

N

V

I

F

F

D

D

L

S

L

V

D

D

F

F

L

I

V

A

S

S

N

S

L

V

M

F

M

L

P

P

L

L

G

G

G

G

L

M

A

I

I

I

A

A

L

L

F

F

A

I

G

G

W

W

A

G

M

W

K

K

R

T

E

S

S

D

L

A

P

L

A

A

D

E

I

S

G

D

L

L

Q

T

G

D

S

S

S

V

Y

W

-

G

K

K

A

L

F

W

M

I

F

L

V

S

L

L

R

R

Y

F

L

I

T

A

P

P

A

I

G

A

I

I

A

L

V

I

V

V

F

F

L

L

binding tyrosine: S18 (= S28), A19 (= A29), G21 (= G31), G23 (= G33), Y101 (= Y115), F223 (= F236), T224 (= T237), S226 (= S239), M229 (≠ I242), L321 (≠ M334)

6yu4A Crystal structure of mhst in complex with l-4f-phenylalanine (see paper)
45% identity, 97% coverage: 12:456/460 of query aligns to 2:438/442 of 6yu4A

query
sites
6yu4A

N

R

N

E

L

Q

W

W

S

A

S

S

R

R

M

L

A

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

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

I

V

Y

Y

L

L

A

G

C

F

I

I

F

A

L

L

I

I

G

G

V

I

P

P

V

I

L

V

I

L

A

A

E

E

T

F

M

T

I

I

G

G

R

R

R

R

G

A

G

Q

Q

S

S

D

P

A

V

V

A

G

T

S

M

F

R

E

T

K

L

L

T

A

K

P

T

-

E

-

G

-

T

-

A

G

R

K

G

P

W

W

R

K

A

V

I

A

G

G

W

L

N

M

G

G

V

V

I

A

A

A

S

G

F

F

L

L

V

I

L

L

S

S

F

F

Y
|
Y

A

G

V

V

I

I

G

A

G

G

W

W

A

I

L

L

V

F

Y

Y

I

L

G

F

K

N

A

Y

A

I

T

T

G

G

L

Q

F

L

T

W

G

S

A

A

D

P

A

A

E

E

A

G

I

F

G

G

G

G

Q

F

F

F

G

E

G

G

L

F

L

I

A

A

N

N

P

P

W

T

E

L

L

P

L

L

M

F

W

W

H

Q

S

A

V

L

F

F

M

M

V

I

I

A

V

T

V

I

F

W

I

I

V

V

G

A

R

I

G

G

I

V

R

K

S

K

G

G

L

I

E

E

K

R

A

S

V

N

N

K

M

I

L

L

M

M

P

P

L

L

L

L

F

G

V

V

L

L

L

L

V

I

A

A

M

L

V

A

I

I

Y

Y

A

S

M

L

N

T

S

L

G

G

S

G

F

A

G

K

R

E

A

G

V

L

S

A

F

F

M

L

F

F

S

S

P

P

D

D

F

W

S

S

K

A

L

L

T

K

T

D

A

P

G

G

V

V

-

Y

L

L

T

A

A

A

L

I

G

S

H

Q

A

A

A

F

F
|
F

T
|
T

L

L

S
|
S

I

L

G

G

I
x
M

G

G

V

A

L

L

M

I

A

T

Y

Y

G

G

S

S

Y

Y

L

V

P

S

K

K

T

D

V

S

N

R

I

L

A

P

R

G

T

A

A

A

M

V

T

S

I

V

A

A

V

G

V

L

D

D

T

T

S

A

V

F

A

A

L

I

L

I

A

A

G

G

L

I

A

M

I

I

F

F

P

P

L

A

V

V

F

F

A

A

N

L

G

G

L

L

E

S

P

P

G

S

A

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

Q

S

M

I

S

R

G

L

G

G

A

P

L

I

F

V

G

G

T

I

I

A

F

F

F

F

A

I

L

L

L

L

L

G

V

A

A

A

A

A

I

L

T

S

S

S

A

A

I

V

S

S

M
x
L

L

L

E

E

P

V

V

P

V

V

E

A

W

Y

L

F

E

M

E

R

H

K

K

F

G

D

V

W

S

S

R

R

A

K

K

Q

S

A

A

A

I

I

G

T

G

L

G

G

L

V

A

I

I

I

W

T

F

L

I

L

G

G

I

I

G

P

T

S

V

S

L

L

S

S

F

F

N

G

V

V

W

-

E

-

S

-

V

-

H

-

P

-

L

L

G

G

F

E

I

V

P

T

F

I

F

I

E

P

G

G

K

L

T

N

V

I

F

F

D

D

L

S

L

V

D

D

F

F

L

I

V

A

S

S

N

S

L

V

M

F

M

L

P

P

L

L

G

G

G

G

L

M

A

I

I

I

A

A

L

L

F

F

A

I

G

G

W

W

A

G

M

W

K

K

R

T

E

S

S

D

L

A

P

L

A

A

D

E

I

S

G

D

L

L

Q

T

G

D

S

S

S

V

Y

W

-

G

K

K

A

L

F

W

M

I

F

L

V

S

L

L

R

R

Y

F

L

I

T

A

P

P

A

I

G

A

I

I

A

L

V

I

V

V

F

F

L

L

binding 4-fluoro-l-phenylalanine: S18 (= S28), A19 (= A29), G21 (= G31), L22 (= L32), G23 (= G33), Y101 (= Y115), F223 (= F236), T224 (= T237), S226 (= S239), M229 (≠ I242), L321 (≠ M334)

4us4A Crystal structure of the bacterial nss member mhst in an occluded inward-facing state (lipidic cubic phase form) (see paper)
45% identity, 95% coverage: 21:456/460 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

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

I

V

Y

Y

L

L

A

G

C

F

I

I

F

A

L

L

I

I

G

G

V

I

P

P

V

I

L

V

I

L

A

A

E

E

T

F

M

T

I

I

G

G

R

R

R

R

G

A

G

Q

Q

S

S

D

P

A

V

V

A

G

T

S

M

F

R

E

T

K

L

L

T

A

K

P

T

-

E

-

G

-

T

-

A

G

R

K

G

P

W

W

R

K

A

V

I

A

G

G

W

L

N

M

G

G

V

V

I

A

A

A

S

G

F

F

L

L

V

I

L

L

S

S

F

F

Y
|
Y

A

G

V

V

I

I

G

A

G

G

W

W

A

I

L

L

V

F

Y

Y

I

L

G

F

K

N

A

Y

A

I

T

T

G

G

L

Q

F

L

T

W

G

S

A

A

D

P

A

A

E

E

A

G

I

F

G

G

G

G

Q

F

F

F

G

E

G

G

L

F

L

I

A

A

N

N

P

P

W

T

E

L

L

P

L

L

M

F

W

W

H

Q

S

A

V

L

F

F

M

M

V

I

I

A

V

T

V

I

F

W

I

I

V

V

G

A

R

I

G

G

I

V

R

K

S

K

G

G

L

I

E

E

K

R

A

S

V

N

N

K

M

I

L

L

M

M

P

P

L

L

L

L

F

G

V

V

L

L

L

L

V

I

A
|
A

M

L

V

A

I

I

Y

Y

A

S

M

L

N
x
T

S

L

G

G

S

G

F

A

G

K

R

E

A

G

V

L

S

A

F

F

M

L

F

F

S

S

P

P

D

D

F

W

S

S

K

A

L

L

T

K

T

D

A

P

G

G

V

V

-

Y

L

L

T

A

A

A

L

I

G

S

H

Q

A

A

A

F

F
|
F

T
|
T

L

L

S
|
S

I

L

G

G

I
x
M

G

G

V

A

L

L

M

I

A

T

Y

Y

G

G

S

S

Y

Y

L

V

P

S

K

K

T

D

V

S

N

R

I

L

A

P

R

G

T

A

A

A

M

V

T

S

I

V

A

A

V

G

V

L

D
|
D

T

T

S

A

V

F

A

A

L

I

L

I

A

A

G

G

L

I

A

M

I

I

F

F

P

P

L

A

V

V

F

F

A

A

N

L

G

G

L

L

E

S

P

P

G

S

A

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

Q

S

M
x
I

S
x
R

G
x
L

G

G

A

P

L

I

F

V

G

G

T

I

I

A

F

F

F

F

A

I

L

L

L

L

L

G

V

A

A
|
A

A

A

I

L

T
x
S

S
|
S

A

A

I

V

S

S

M
x
L

L

L

E

E

P

V

V

P

V

V

E

A

W

Y

L

F

E

M

E

R

H

K

K

F

G

D

V

W

S

S

R

R

A

K

K

Q

S

A

A

A

I

I

G

T

G

L

G

G

L

V

A

I

I

I

W

T

F

L

I

L

G

G

I

I

G

P

T

S

V

S

L

L

S

S

F

F

N

G

V

V

W

-

E

-

S

-

V

-

H

-

P

-

L

L

G

G

F

E

I

V

P

T

F

I

F

I

E

P

G

G

K

L

T

N

V

I

F

F

D

D

L

S

L

V

D

D

F

F

L

I

V

A

S

S

N

S

L

V

M

F

M

L

P

P

L

L

G

G

G

G

L

M

A

I

I

I

A

A

L

L

F

F

A

I

G

G

W

W

A

G

M

W

K

K

R

T

E

S

S

D

L

A

P

L

A

A

D

E

I

S

G

D

L

L

Q

T

G

D

S

S

S

V

Y

W

-

G

K

K

A

L

F

W

M

I

F

L

V

S

L

L

R

R

Y

F

L

I

T

A

P

P

A

I

G

A

I

I

A

L

V

I

V

V

F

F

L

L

binding (2s)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate: A173 (= A196), T180 (≠ N203), I287 (≠ M309), R288 (≠ S310), L289 (≠ G311)
binding sodium ion: G8 (= G27), S9 (= S28), A10 (= A29), V11 (= V30), V11 (= V30), N15 (= N34), T215 (= T237), D247 (= D269), A304 (= A326), S307 (≠ T329), S308 (= S330)
binding tryptophan: S9 (= S28), A10 (= A29), G12 (= G31), G14 (= G33), Y92 (= Y115), F214 (= F236), T215 (= T237), S217 (= S239), M220 (≠ I242), L312 (≠ M334)

3gwwA Leucine transporter leut in complex with s-fluoxetine (see paper)
29% identity, 96% coverage: 15:454/460 of query aligns to 4:454/501 of 3gwwA

query
sites
3gwwA

W

W

S

A

S

T

R

R

M

L

A

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

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

I

P

Y

Y

L

I

A

I

C

A

I

F

F

L

L

L

I

V

G

G

V

I

P

P

V

L

L

M

I

W

A

I

E

E

T

W

M

A

I

M

G

G

R

R

R

Y

G

G

G

G

Q

A

S

Q

P

G

V

H

A

G

T

T

M

T

R

P

T

A

L

I

T

F

K

Y

T

L

E

L

G

W

T

R

A

N

R

R

G

F

W

A

R

K

A

I

I

L

G

G

W

V

N

F

G

G

V

L

I

W

A

I

S

P

F

L

L

V

V

V

L

A

S

I

F

Y

Y
|
Y

A

V

V

Y

I

I

G

E

G

S

W

W

A

T

L

L

V

G

Y

F

I

A

G

I

K

K

A

F

A

L

T

V

G

G

L

L

F

V

T

P

G

E

A

P

D

P

A

P

E

D

A

S

I

I

G

L

G

R

Q

P

F

F

G

K

G

E

L

F

L

L

A

Y

N

S

-

Y

-

I

-

G

-

V

P

P

W

K

-

G

-

D

E

E

L

P

L

I

M

L

W

K

H

P

S

S

V

L

F

F

-

A

-

Y

-

I

-

V

-

F

-

L

-

I

-

T

M

M

V

F

I

I

V

N

V

V

F

S

I

I

V

L

G

I

R

R

G

G

I

I

R

S

S

K

G

G

L

I

E

E

K

R

A

F

V

A

N

K

M

I

L

A

M

M

P

P

L

T

L

L

F

F

V

I

L

L

L

A

V

V

A

F

M

L

V

V

I

I

Y

R

A

V

M

F

-

L

-

L

-

E

-

T

N

P

S

N

G

G

S

T

F

A

G

A

R

D

A

G

V

L

S

N

F

F

M

L

F

W

S

T

P

P

D

D

F

F

S

E

K

K

L

L

T

K

T

D

A

P

G

G

V

V

-

W

L

I

T

A

A

A

L

V

G

G

H

Q

A

I

A

F

F
|
F

T
|
T

L

L

S
|
S

I

L

G

G

I
x
F

G

G

V

A

L

I

M

I

A

T

Y

Y

G

A

S

S

Y

Y

L

V

P

R

K

K

T

D

V

Q

N

D

I

I

A

V

R

L

T

S

A

G

M

L

T

T

I

A

A

A

V

T

V

L

D

N

T

E

-

K

-

A

-

E

-

V

-

I

-

L

-

G

-

G

S

S

V

I

A

S

L

I

L

P

A

A

G

A

L

V

A

A

I

F

F

F

P

G

L

V

V

A

F

N

A

A

N

V

G

A

L

I

E

A

P

K

G

A

A

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

Q

Q

M

T

S

A

G

G

G

G

A

T

L

F

F

L

G

G

T

F

I

L

F

W

F

F

A

F

L

L

L

L

L

F

V

F

A

A

A

G

I

L

T

T

S

S

A

S

I

I

S

A

M
x
I

L

M

E

Q

P

P

V

M

V

I

E

A

W

F

L

L

E

E

E

D

H

E

K

L

G

K

V

L

S

S

R

R

A

K

K

H

S

A

A

V

I

L

G

W

G

T

G

A

L

A

A

I

I

V

W

F

F

F

I

-

G

-

I

-

G

-

T

-

V

-

L

-

S

-

F

-

N

-

V

-

W

-

E

-

S

S

V

A

H

H

P

L

L

V

G

M

F

F

I

L

P

-

F

-

F

-

E

-

G

-

K

N

T

K

V

S

F

L

D
|
D

L

E

L

M

D
|
D

F

F

L

W

V

A

S

G

N

T

L

I

M

G

M

V

P

V

L

F

G

F

G

G

L

L

A

T

I

E

A

L

L

I

F

I

A

F

G

F

W

W

A

I

M

F

K

G

R

A

E

D

S

K

L

A

P

W

A

E

D

E

I

I

G

N

L

R

Q

G

G

G

-

I

-

I

S

K

S

V

Y

P

K

R

A

I

F

Y

M

Y

F

Y

V

V

L

M

R

R

Y

Y

L

I

T

T

P

P

A

A

G

F

I

L

A

A

V

V

V

L

binding leucine: A18 (= A29), G20 (= G31), G22 (= G33), Y104 (= Y115), F244 (= F236), T245 (= T237), S247 (= S239), F250 (≠ I242), I350 (≠ M334)
binding (3S)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine: L21 (= L32), G22 (= G33), R26 (≠ K37), Y104 (= Y115), A310 (≠ G294), F311 (≠ P295), D392 (= D394), D395 (= D397)

3f3aA Crystal structure of leut bound to l-tryptophan and sodium (see paper)
30% identity, 96% coverage: 15:454/460 of query aligns to 4:456/504 of 3f3aA

query
sites
3f3aA

W

W

S

A

S

T

R
|
R

M

L

A

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

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

I

P

Y

Y

L

I

A

I

C

A

I

F

F

L

L

L

I

V

G

G

V

I

P

P

V

L

L

M

I

W

A

I

E

E

T

W

M

A

I

M

G

G

R

R

R

Y

G

G

G

G

Q

A

S

Q

P

G

V

H

A

G

T

T

M

T

R

P

T

A

L

I

T

F

K

Y

T

L

E

L

G

W

T

R

A

N

R

R

G

F

W

A

R

K

A

I

I

L

G

G

W

V

N

F

G

G

V

L

I

W

A

I

S

P

F

L

L

V

V

V

L

A

S

I

F

Y

Y
|
Y

A

V

V

Y

I

I

G

E

G

S

W

W

A

T

L

L

V

G

Y

F

I

A

G

I

K

K

A

F

A

L

T

V

G

G

L

L

F

V

T

P

G

E

-

P

-

P

A

T

D

D

A

P

E

D

A

S

I

I

G

L

G

R

Q

P

F

F

G

K

G

E

L

F

L

L

A

Y

N

S

-

Y

-

I

-

G

-

V

P

P

W

K

-

G

-

D

E

E

L

P

L

I

M

L

W

K

H

P

S

S

V

L

F

F

-

A

-

Y

-

I

-

V

-

F

-

L

-

I

-

T

M

M

V

F

I

I

V

N

V

V

F

S

I

I

V

L

G

I

R

R

G

G

I

I

R

S

S

K

G

G

L

I

E

E

K

R

A

F

V

A

N

K

M

I

L

A

M

M

P

P

L

T

L

L

F

F

V

I

L

L

L

A

V

V

A

F

M

L

V

V

I

I

Y

R

A

V

M

F

-

L

-

L

-

E

-

T

N

P

S

N

G

G

S

T

F

A

G

A

R

D

A

G

V

L

S

N

F

F

M

L

F

W

S

T

P

P

D

D

F

F

S

E

K

K

L

L

T

K

T

D

A

P

G

G

V

V

-

W

L

I

T

A

A

A

L

V

G
|
G

H

Q

A

I

A

F

F
|
F

T
|
T

L

L

S
|
S

I

L

G

G

I
x
F

G

G

V

A

L

I

M

I

A

T

Y

Y

G

A

S

S

Y

Y

L

V

P

R

K

K

T
x
D

V
x
Q

N
x
D

I

I

A

V

R

L

T

S

A

G

M

L

T

T

I

A

A

A

V

T

V

L

D
x
N

T

E

-

K

-

A

-

E

-

V

-

I

-

L

-

G

-

G

S

S

V

I

A

S

L

I

L

P

A

A

G

A

L

V

A

A

I

F

F
|
F

P

G

L

V

V

A

F
x
N

A

A

N

V

G
x
A

L
x
I

E

A

P

K

G
x
A

A

G

G

A

P

F

G
x
N

L

L

I

G

F

F

V

I

T

T

L

L

P

P

L

A

A

I

F

F

G

S

Q

Q

M

T

S

A

G

G

G

G

A

T

L

F

F

L

G

G

T

F

I

L

F

W

F

F

A

F

L

L

L

L

L

F

V

F

A
|
A

A

G

I

L

T
|
T

S
|
S

A

S

I

I

S

A

M
x
I

L

M

E

Q

P

P

V

M

V

I

E

A

W

F

L

L

E

E

E

D

H

E

K

L

G

K

V

L

S

S

R

R

A

K

K

H

S

A

A

V

I

L

G

W

G

T

G

A

L

A

A

I

I

V

W

F

F

F

I

-

G

-

I

-

G

-

T

-

V

-

L

-

S

-

F

-

N

-

V

-

W

-

E

-

S

S

V

A

H

H

P

L

L

V

G

M

F

F

I

L

P

-

F

-

F

-

E

-

G

-

K

N

T

K

V

S

F

L

D

D

L

E

L

M

D
|
D

F

F

L

W

V

A

S
x
G

N
x
T

L

I

M

G

M

V

P

V

L

F

G

F

G

G

L

L

A

T

I

E

A

L

L

I

F

I

A

F

G

F

W

W

A

I

M

F

K

G

R

A

E

D

S

K

L

A

P

W

A

E

D

E

I

I

G

N

L

R

Q
x
G

G

G

-

I

-

I

S

K

S

V

Y

P

K

R

A

I

F

Y

M

Y

F

Y

V

V

L

M

R

R

Y

Y

L

I

T

T

P

P

A

A

G

F

I

L

A

A

V

V

V

L

binding sodium ion: G16 (= G27), N17 (≠ S28), A18 (= A29), V19 (= V30), V19 (= V30), G20 (= G31), N23 (= N34), T247 (= T237), N279 (≠ D269), A344 (= A326), T347 (= T329), S348 (= S330)
binding tryptophan: R7 (= R18), A18 (= A29), G20 (= G31), L21 (= L32), G22 (= G33), R26 (≠ K37), Y104 (= Y115), G242 (= G232), F246 (= F236), F246 (= F236), T247 (= T237), S249 (= S239), F252 (≠ I242), D265 (≠ T255), Q266 (≠ V256), D267 (≠ N257), F299 (= F281), N303 (≠ F285), A306 (≠ G288), I307 (≠ L289), A310 (≠ G292), N314 (≠ G296), S348 (= S330), I352 (≠ M334), D397 (= D397), G401 (≠ S401), T402 (≠ N402), G432 (≠ Q432)

3mpnA F177r1 mutant of leut (see paper)
29% identity, 96% coverage: 15:456/460 of query aligns to 4:459/505 of 3mpnA

query
sites
3mpnA

W

W

S

A

S

T

R

R

M

L

A

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

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

I

P

Y

Y

L

I

A

I

C

A

I

F

F

L

L

L

I

V

G

G

V

I

P

P

V

L

L

M

I

W

A

I

E

E

T

W

M

A

I

M

G

G

R

R

R

Y

G

G

G

G

Q

A

S

Q

P

G

V

H

A

G

T

T

M

T

R

P

T

A

L

I

T

F

K

Y

T

L

E

L

G

W

T

R

A

N

R

R

G

F

W

A

R

K

A

I

I

L

G

G

W

V

N

F

G

G

V

L

I

W

A

I

S

P

F

L

L

V

V

V

L

A

S

I

F

Y

Y
|
Y

A

V

V

Y

I

I

G

E

G

S

W

W

A

T

L

L

V

G

Y

F

I

A

G

I

K

K

A

F

A

L

T

V

G

G

L

L

F

V

T

P

G

E

-

P

-

P

-

P

A

T

D

D

A

P

E

D

A

S

I

I

G

L

G

R

Q

P

F

F

G

K

G

E

L

F

L

L

A

Y

N

S

-

Y

-

I

-

G

-

V

P

P

W

K

-

G

-

D

E

E

L

P

L

I

M

L

W

K

H

P

S

S

V

L

F

F

-

A

-

Y

-

I

-

V

-

F

-

L

-

I

-

T

M

M

V
x
C

I

I

V

N

V

V

F

S

I

I

V

L

G

I

R

R

G

G

I

I

R

S

S

K

G

G

L

I

E

E

K

R

A

F

V

A

N

K

M

I

L

A

M

M

P

P

L

T

L

L

F

F

V

I

L

L

L

A

V

V

A

F

M

L

V

V

I

I

Y

R

A

V

M

F

-

L

-

L

-

E

-

T

N

P

S

N

G

G

S

T

F

A

G

A

R

D

A

G

V

L

S

N

F

F

M

L

F

W

S

T

P

P

D

D

F

F

S

E

K

K

L

L

T

K

T

D

A

P

G

G

V

V

-

W

L

I

T

A

A

A

L

V

G

G

H

Q

A

I

A

F

F
|
F

T
|
T

L

L

S
|
S

I

L

G

G

I
x
F

G

G

V

A

L

I

M

I

A

T

Y

Y

G

A

S

S

Y

Y

L

V

P

R

K

K

T

D

V

Q

N

D

I

I

A

V

R

L

T

S

A

G

M

L

T

T

I

A

A

A

V

T

V

L

D

N

T

E

-

K

-

A

-

E

-

V

-

I

-

L

-

G

-

G

S

S

V

I

A

S

L

I

L

P

A

A

G

A

L

V

A

A

I

F

F

F

P

G

L

V

V

A

F

N

A

A

N

V

G

A

L

I

E

A

P

K

G

A

A

G

G

A

P

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

Q

Q

M

T

S

A

G

G

G

G

A

T

L

F

F

L

G

G

T

F

I

L

F

W

F

F

A

F

L

L

L

L

L

F

V

F

A

A

A

G

I

L

T

T

S
|
S

A

S

I

I

S

A

M

I

L

M

E

Q

P

P

V

M

V

I

E

A

W

F

L

L

E

E

E

D

H

E

K

L

G

K

V

L

S

S

R

R

A

K

K

H

S

A

A

V

I

L

G

W

G

T

G
x
A

L

A

A

I

I

V

W

F

F

F

I

-

G

-

I

-

G

-

T

-

V

-

L

-

S

-

F

-

N

-

V

-

W

-

E

-

S

S

V

A

H

H

P

L

L

V

G

M

F

F

I

L

P

-

F

-

F

-

E

-

G

-

K

N

T

K

V

S

F

L

D

D

L

E

L

M

D

D

F

F

L

W

V

A

S

G

N

T

L

I

M

G

M

V

P

V

L

F

G

F

G

G

L

L

A

T

I

E

A

L

L

I

F

I

A

F

G

F

W

W

A

I

M

F

K

G

R

A

E

D

S

K

L

A

P

W

A

E

D

E

I

I

G

N

L

R

Q

G

G

G

-

I

-

I

S

K

S

V

Y

P

K

R

A

I

F

Y

M

Y

F

Y

V

V

L

M

R

R

Y

Y

L

I

T

T

P

P

A

A

G

F

I

L

A

A

V

V

V

L

F

L

L

V

binding leucine: N17 (≠ S28), A18 (= A29), G20 (= G31), L21 (= L32), G22 (= G33), Y104 (= Y115), F247 (= F236), T248 (= T237), S250 (= S239), F253 (≠ I242), S349 (= S330)
binding S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate: C171 (≠ V165), A377 (≠ G358)

3uslA Crystal structure of leut bound to l-selenomethionine in space group c2 from lipid bicelles (see paper)
30% identity, 96% coverage: 15:454/460 of query aligns to 4:456/502 of 3uslA

query
sites
3uslA

W

W

S

A

S

T

R

R

M

L

A

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

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

I

P

Y

Y

L

I

A

I

C

A

I

F

F

L

L

L

I

V

G

G

V

I

P

P

V

L

L

M

I

W

A

I

E

E

T

W

M

A

I

M

G

G

R

R

R

Y

G

G

G

G

Q

A

S

Q

P

G

V

H

A

G

T

T

M

T

R

P

T

A

L

I

T

F

K

Y

T

L

E

L

G

W

T

R

A
x
N

R
|
R

G
x
F

W

A

R

K

A

I

I

L

G

G

W

V

N

F

G

G

V

L

I

W

A

I

S

P

F

L

L

V

V

V

L

A

S

I

F

Y

Y
|
Y

A

V

V

Y

I

I

G

E

G

S

W

W

A

T

L

L

V

G

Y

F

I

A

G

I

K

K

A

F

A

L

T

V

G

G

L

L

F

V

T

P

G

E

-

P

-

P

A

T

D

D

A

P

E

D

A

S

I

I

G

L

G

R

Q

P

F

F

G

K

G

E

L

F

L

L

A

Y

N

S

-

Y

-

I

-

G

-

V

P

P

W

K

-

G

-

D

E

E

L

P

L

I

M

L

W

K

H

P

S

S

V

L

F

F

-

A

-

Y

-

I

-

V

-

F

-

L

-

I

-

T

M

M

V

F

I

I

V

N

V

V

F

S

I

I

V

L

G

I

R

R

G

G

I

I

R

S

S

K

G

G

L

I

E

E

K

R

A

F

V

A

N

K

M

I

L

A

M

M

P

P

L

T

L

L

F

F

V

I

L

L

L

A

V

V

A

F

M

L

V

V

I

I

Y

R

A

V

M

F

-

L

-

L

-

E

-

T

N

P

S

N

G

G

S

T

F

A

G

A

R

D

A

G

V

L

S

N

F

F

M

L

F

W

S

T

P

P

D

D

F

F

S

E

K

K

L

L

T

K

T

D

A

P

G

G

V

V

-

W

L

I

T

A

A

A

L

V

G

G

H

Q

A

I

A

F

F
|
F

T
|
T

L

L

S
|
S

I

L

G

G

I

F

G

G

V

A

L

I

M

I

A

T

Y

Y

G

A

S

S

Y

Y

L

V

P

R

K

K

T

D

V

Q

N

D

I

I

A

V

R

L

T

S

A

G

M

L

T

T

I

A

A

A

V

T

V

L

D
x
N

T

E

-

K

-

A

-

E

-

V

-

I

-

L

-

G

-

G

S

S

V

I

A

S

L

I

L

P

A

A

G

A

L

V

A

A

I

F

F

F

P

G

L

V

V

A

F

N

A

A

N

V

G

A

L

I

E

A

P

K

G

A

A

G

G

A

P

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

Q

Q

M

T

S

A

G

G

G

G

A

T

L

F

F

L

G

G

T

F

I

L

F

W

F

F

A

F

L

L

L

L

L

F

V

F

A
|
A

A

G

I

L

T
|
T

S
|
S

A

S

I

I

S

A

M
x
I

L

M

E

Q

P

P

V

M

V

I

E

A

W

F

L

L

E

E

E

D

H

E

K

L

G

K

V

L

S

S

R

R

A

K

K

H

S

A

A

V

I

L

G

W

G

T

G

A

L

A

A

I

I

V

W

F

F

F

I

-

G

-

I

-

G

-

T

-

V

-

L

-

S

-

F

-

N

-

V

-

W

-

E

-

S

S

V

A

H

H

P

L

L

V

G

M

F

F

I

L

P

-

F

-

F

-

E

-

G

-

K

N

T

K

V

S

F

L

D

D

L

E

L

M

D

D

F

F

L

W

V

A

S

G

N

T

L

I

M

G

M

V

P

V

L

F

G

F

G

G

L

L

A

T

I

E

A

L

L

I

F

I

A

F

G

F

W

W

A

I

M

F

K

G

R

A

E

D

S

K

L

A

P

W

A

E

D

E

I

I

G

N

L

R

Q

G

G

G

-

I

-

I

S

K

S

V

Y

P

K

R

A

I

F

Y

M

Y

F

Y

V

V

L

M

R

R

Y

Y

L

I

T

T

P

P

A

A

G

F

I

L

A

A

V

V

V

L

binding selenomethionine: A18 (= A29), G20 (= G31), G22 (= G33), Y104 (= Y115), F246 (= F236), T247 (= T237), S249 (= S239), S348 (= S330), I352 (≠ M334)
binding sodium ion: G16 (= G27), N17 (≠ S28), A18 (= A29), V19 (= V30), V19 (= V30), G20 (= G31), N23 (= N34), T247 (= T237), N279 (≠ D269), A344 (= A326), T347 (= T329), S348 (= S330)
binding phosphocholine: N83 (≠ A94), R84 (= R95), F85 (≠ G96)

3usgA Crystal structure of leut bound to l-leucine in space group c2 from lipid bicelles (see paper)
30% identity, 96% coverage: 15:454/460 of query aligns to 4:456/502 of 3usgA

query
sites
3usgA

W

W

S

A

S

T

R

R

M

L

A

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

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

I

P

Y

Y

L

I

A

I

C

A

I

F

F

L

L

L

I

V

G

G

V

I

P

P

V

L

L

M

I

W

A

I

E

E

T

W

M

A

I

M

G

G

R

R

R

Y

G

G

G

G

Q

A

S

Q

P

G

V

H

A

G

T

T

M

T

R

P

T

A

L

I

T

F

K

Y

T

L

E

L

G

W

T

R

A
x
N

R
|
R

G

F

W

A

R

K

A

I

I

L

G

G

W

V

N

F

G

G

V

L

I

W

A

I

S

P

F

L

L

V

V

V

L

A

S

I

F

Y

Y

Y

A

V

V

Y

I

I

G

E

G

S

W

W

A

T

L

L

V

G

Y

F

I

A

G

I

K

K

A

F

A

L

T

V

G

G

L

L

F

V

T

P

G

E

-

P

-

P

A

T

D

D

A

P

E

D

A

S

I

I

G

L

G

R

Q

P

F

F

G

K

G

E

L

F

L

L

A

Y

N

S

-

Y

-

I

-

G

-

V

P

P

W

K

-

G

-

D

E

E

L

P

L

I

M

L

W

K

H

P

S

S

V

L

F

F

-

A

-

Y

-

I

-

V

-

F

-

L

-

I

-

T

M

M

V

F

I

I

V

N

V

V

F

S

I

I

V

L

G

I

R

R

G

G

I

I

R

S

S

K

G

G

L

I

E

E

K

R

A

F

V

A

N

K

M

I

L

A

M

M

P

P

L

T

L

L

F

F

V

I

L

L

L

A

V

V

A

F

M

L

V

V

I

I

Y

R

A

V

M

F

-

L

-

L

-

E

-

T

N

P

S

N

G

G

S

T

F

A

G

A

R

D

A

G

V

L

S

N

F

F

M

L

F

W

S

T

P

P

D

D

F

F

S

E

K

K

L

L

T

K

T

D

A

P

G

G

V

V

-

W

L

I

T

A

A

A

L

V

G

G

H

Q

A

I

A

F

F
|
F

T
|
T

L

L

S
|
S

I

L

G

G

I
x
F

G

G

V

A

L

I

M

I

A

T

Y

Y

G

A

S

S

Y

Y

L

V

P

R

K

K

T

D

V

Q

N

D

I

I

A

V

R

L

T

S

A

G

M

L

T

T

I

A

A

A

V

T

V

L

D
x
N

T

E

-

K

-

A

-

E

-

V

-

I

-

L

-

G

-

G

S

S

V

I

A

S

L

I

L

P

A

A

G

A

L

V

A

A

I

F

F

F

P

G

L

V

V

A

F

N

A

A

N

V

G

A

L

I

E

A

P

K

G

A

A

G

G

A

P

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

Q

Q

M

T

S

A

G

G

G

G

A

T

L

F

F

L

G

G

T

F

I

L

F

W

F

F

A

F

L

L

L

L

L

F

V

F

A
|
A

A

G

I

L

T
|
T

S
|
S

A

S

I

I

S

A

M

I

L

M

E

Q

P

P

V

M

V

I

E

A

W

F

L

L

E

E

E

D

H

E

K

L

G

K

V

L

S

S

R

R

A

K

K

H

S

A

A

V

I

L

G

W

G

T

G

A

L

A

A

I

I

V

W

F

F

F

I

-

G

-

I

-

G

-

T

-

V

-

L

-

S

-

F

-

N

-

V

-

W

-

E

-

S

S

V

A

H

H

P

L

L

V

G

M

F

F

I

L

P

-

F

-

F

-

E

-

G

-

K

N

T

K

V

S

F

L

D

D

L

E

L

M

D

D

F

F

L

W

V

A

S

G

N

T

L

I

M

G

M

V

P

V

L

F

G

F

G

G

L

L

A

T

I

E

A

L

L

I

F

I

A

F

G

F

W

W

A

I

M

F

K

G

R

A

E

D

S

K

L

A

P

W

A

E

D

E

I

I

G

N

L

R

Q

G

G

G

-

I

-

I

S

K

S

V

Y

P

K

R

A

I

F

Y

M

Y

F

Y

V

V

L

M

R

R

Y

Y

L

I

T

T

P

P

A

A

G

F

I

L

A

A

V

V

V

L

binding leucine: A18 (= A29), G20 (= G31), G22 (= G33), F246 (= F236), T247 (= T237), S249 (= S239), F252 (≠ I242)
binding sodium ion: G16 (= G27), N17 (≠ S28), A18 (= A29), V19 (= V30), V19 (= V30), G20 (= G31), N23 (= N34), T247 (= T237), N279 (≠ D269), A344 (= A326), T347 (= T329), S348 (= S330)
binding phosphocholine: N83 (≠ A94), R84 (= R95)

3gwvA Leucine transporter leut in complex with r-fluoxetine (see paper)
29% identity, 96% coverage: 15:454/460 of query aligns to 4:457/498 of 3gwvA

query
sites
3gwvA

W

W

S

A

S

T

R

R

M

L

A

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

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

I

P

Y

Y

L

I

A

I

C

A

I

F

F

L

L

L

I

V

G

G

V

I

P

P

V

L

L

M

I

W

A

I

E

E

T

W

M

A

I

M

G

G

R

R

R

Y

G

G

G

G

Q

A

S

Q

P

G

V

H

A

G

T

T

M

T

R

P

T

A

L

I

T

F

K

Y

T

L

E

L

G

W

T

R

A

N

R

R

G

F

W

A

R

K

A

I

I

L

G

G

W

V

N

F

G

G

V

L

I

W

A

I

S

P

F

L

L

V

V

V

L

A

S

I

F

Y

Y
|
Y

A

V

V

Y

I

I

G

E

G

S

W

W

A

T

L

L

V

G

Y

F

I

A

G

I

K

K

A

F

A

L

T

V

G

G

L

L

F

V

T

P

G

E

-

P

-

P

-

P

A

T

D

D

A

P

E

D

A

S

I

I

G

L

G

R

Q

P

F

F

G

K

G

E

L

F

L

L

A

Y

N

S

-

Y

-

I

-

G

-

V

P

P

W

K

-

G

-

D

E

E

L

P

L

I

M

L

W

K

H

P

S

S

V

L

F

F

-

A

-

Y

-

I

-

V

-

F

-

L

-

I

-

T

M

M

V

F

I

I

V

N

V

V

F

S

I

I

V

L

G

I

R

R

G

G

I

I

R

S

S

K

G

G

L

I

E

E

K

R

A

F

V

A

N

K

M

I

L

A

M

M

P

P

L

T

L

L

F

F

V

I

L

L

L

A

V

V

A

F

M

L

V

V

I

I

Y

R

A

V

M

F

-

L

-

L

-

E

-

T

N

P

S

N

G

G

S

T

F

A

G

A

R

D

A

G

V

L

S

N

F

F

M

L

F

W

S

T

P

P

D

D

F

F

S

E

K

K

L

L

T

K

T

D

A

P

G

G

V

V

-

W

L

I

T

A

A

A

L

V

G

G

H

Q

A

I

A

F

F
|
F

T
|
T

L

L

S
|
S

I

L

G

G

I
x
F

G

G

V

A

L

I

M

I

A

T

Y

Y

G

A

S

S

Y

Y

L

V

P

R

K

K

T

D

V

Q

N

D

I

I

A

V

R

L

T

S

A

G

M

L

T

T

I

A

A

A

V

T

V

L

D

N

T

E

-

K

-

A

-

E

-

V

-

I

-

L

-

G

-

G

S

S

V

I

A

S

L

I

L

P

A

A

G

A

L

V

A

A

I

F

F

F

P

G

L

V

V

A

F

N

A

A

N

V

G

A

L

I

E

A

P

K

G

A

A

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

Q

Q

M

T

S

A

G

G

G

G

A

T

L

F

F

L

G

G

T

F

I

L

F

W

F

F

A

F

L

L

L

L

L

F

V

F

A

A

A

G

I

L

T

T

S

S

A

S

I

I

S

A

M

I

L

M

E

Q

P

P

V

M

V

I

E

A

W

F

L

L

E

E

E

D

H

E

K

L

G

K

V

L

S

S

R

R

A

K

K

H

S

A

A

V

I

L

G

W

G

T

G

A

L

A

A

I

I

V

W

F

F

F

I

-

G

-

I

-

G

-

T

-

V

-

L

-

S

-

F

-

N

-

V

-

W

-

E

-

S

S

V

A

H

H

P

L

L

V

G

M

F

F

I

L

P

-

F

-

F

-

E

-

G

-

K

N

T

K

V

S

F
x
L

D
|
D

L

E

L

M

D
|
D

F

F

L

W

V

A

S

G

N

T

L

I

M

G

M

V

P

V

L

F

G

F

G

G

L

L

A

T

I

E

A

L

L

I

F

I

A

F

G

F

W

W

A

I

M

F

K

G

R

A

E

D

S

K

L

A

P

W

A

E

D

E

I

I

G

N

L

R

Q

G

G

G

-

I

-

I

S

K

S

V

Y

P

K

R

A

I

F

Y

M

Y

F

Y

V

V

L

M

R

R

Y

Y

L

I

T

T

P

P

A

A

G

F

I

L

A

A

V

V

V

L

binding leucine: A18 (= A29), G20 (= G31), G22 (= G33), Y104 (= Y115), F247 (= F236), T248 (= T237), S250 (= S239), F253 (≠ I242)
binding (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine: L21 (= L32), R26 (≠ K37), A313 (≠ G294), F314 (≠ P295), L394 (≠ F393), D395 (= D394), D398 (= D397)

2qeiA Crystal structure analysis of leut complexed with l-alanine, sodium, and clomipramine (see paper)
29% identity, 96% coverage: 15:456/460 of query aligns to 5:460/511 of 2qeiA

query
sites
2qeiA

W

W

S

A

S

T

R

R

M

L

A

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

K
x
R

F

F

P

P

Y
x
V

I
x
Q

T

A

G

A

E

E

N

N

G

G

G

G

G

G

A

A

F

F

V

M

L

I

I

P

Y

Y

L

I

A

I

C

A

I

F

F

L

L

L

I

V

G

G

V

I

P

P

V

L

L

M

I

W

A

I

E

E

T

W

M

A

I

M

G

G

R

R

R

Y

G

G

G

G

Q

A

S

Q

P

G

V

H

A

G

T

T

M

T

R

P

T

A

L

I

T

F

K

Y

T

L

E

L

G

W

T

R

A

N

R

R

G

F

W

A

R

K

A

I

I

L

G

G

W

V

N

F

G

G

V

L

I

W

A

I

S

P

F

L

L

V

V

V

L

A

S

I

F
x
Y

Y
|
Y

A

V

V

Y

I

I

G

E

G

S

W

W

A

T

L

L

V

G

Y

F

I

A

G

I

K

K

A

F

A

L

T

V

G

G

L

L

F

V

T

P

G

E

-

P

-

P

-

P

A

T

D

D

A

P

E

D

A

S

I

I

G

L

G

R

Q

P

F

F

G

K

G

E

L

F

L

L

A

Y

N

S

-

Y

-

I

-

G

-

V

P

P

W

K

-

G

-

D

E

E

L

P

L

I

M

L

W

K

H

P

S

S

V

L

F

F

-

A

-

Y

-

I

-

V

-

F

-

L

-

I

-

T

M

M

V

F

I

I

V

N

V

V

F

S

I

I

V

L

G

I

R
|
R

G

G

I

I

R

S

S

K

G

G

L

I

E

E

K
x
R

A
x
F

V

A

N

K

M

I

L

A

M

M

P

P

L

T

L

L

F

F

V

I

L

L

L

A

V

V

A

F

M

L

V

V

I

I

Y

R

A

V

M

F

-

L

-

L

-

E

-

T

N

P

S

N

G

G

S

T

F

A

G

A

R

D

A

G

V

L

S

N

F

F

M

L

F

W

S

T

P

P

D

D

F

F

S

E

K

K

L

L

T

K

T

D

A

P

G

G

V

V

-

W

L

I

T

A

A

A

L

V

G

G

H

Q

A

I

A

F

F
|
F

T
|
T

L

L

S
|
S

I

L

G

G

I

F

G

G

V

A

L

I

M

I

A

T

Y

Y

G

A

S

S

Y

Y

L

V

P

R

K

K

T

D

V

Q

N

D

I

I

A

V

R

L

T

S

A

G

M

L

T

T

I

A

A

A

V

T

V

L

D
x
N

T

E

-

K

-

A

-

E

-

V

-

I

-

L

-

G

-

G

S

S

V

I

A

S

L

I

L

P

A

A

G

A

L

V

A

A

I

F

F

F

P

G

L

V

V

A

F

N

A

A

N

V

G

A

L

I

E

A

P

K

G

A

A

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

Q

Q

M

T

S

A

G

G

G

G

A

T

L

F

F

L

G

G

T

F

I

L

F

W

F

F

A

F

L

L

L

L

L

F

V
x
F

A
|
A

A

G

I

L

T
|
T

S
|
S

A

S

I

I

S

A

M

I

L

M

E

Q

P

P

V

M

V

I

E

A

W

F

L

L

E

E

E

D

H

E

K

L

G

K

V

L

S

S

R

R

A

K

K

H

S

A

A

V

I

L

G

W

G

T

G

A

L

A

A

I

I

V

W

F

F

F

I

-

G

-

I

-

G

-

T

-

V

-

L

-

S

-

F

-

N

-

V

-

W

-

E

-

S

S

V

A

H

H

P

L

L

V

G

M

F

F

I

L

P

-

F

-

F

-

E

-

G

-

K

N

T

K

V

S

F

L

D
|
D

L

E

L

M

D
|
D

F

F

L

W

V

A

S

G

N

T

L

I

M

G

M

V

P

V

L

F

G

F

G

G

L

L

A

T

I

E

A

L

L

I

F

I

A

F

G

F

W

W

A

I

M

F

K

G

R

A

E

D

S

K

L

A

P

W

A

E

D

E

I

I

G

N

L

R

Q

G

G

G

-

I

-

I

S

K

S

V

Y

P

K

R

A

I

F

Y

M

Y

F

Y

V

V

L

M

R

R

Y

Y

L

I

T

T

P

P

A

A

G

F

I

L

A

A

V

V

V

L

F

L

L

V

binding alanine: A19 (= A29), G21 (= G31), G23 (= G33), Y105 (= Y115), F248 (= F236), T249 (= T237), S251 (= S239)
binding 3-(3-chloro-5h-dibenzo[b,f]azepin-5-yl)-n,n-dimethylpropan-1-amine: R27 (≠ K37), V30 (≠ Y40), Q31 (≠ I41), Y104 (≠ F114), R180 (= R173), R188 (≠ K181), F189 (≠ A182), F315 (≠ P295), F345 (≠ V325), D396 (= D394), D399 (= D397)
binding sodium ion: G17 (= G27), A19 (= A29), V20 (= V30), V20 (= V30), G21 (= G31), N24 (= N34), T249 (= T237), N281 (≠ D269), A346 (= A326), T349 (= T329), S350 (= S330)

2q72A Crystal structure analysis of leut complexed with l-leucine, sodium, and imipramine (see paper)
29% identity, 96% coverage: 15:456/460 of query aligns to 5:460/511 of 2q72A

query
sites
2q72A

W

W

S

A

S

T

R

R

M

L

A

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

K
x
R

F

F

P

P

Y
x
V

I
x
Q

T

A

G

A

E

E

N

N

G

G

G

G

G

G

A

A

F

F

V

M

L

I

I

P

Y

Y

L

I

A

I

C

A

I

F

F

L

L

L

I

V

G

G

V

I

P

P

V

L

L

M

I

W

A

I

E

E

T

W

M

A

I

M

G

G

R

R

R

Y

G

G

G

G

Q

A

S

Q

P

G

V

H

A

G

T

T

M

T

R

P

T

A

L

I

T

F

K

Y

T

L

E

L

G

W

T

R

A

N

R

R

G

F

W

A

R

K

A

I

I

L

G

G

W

V

N

F

G

G

V

L

I

W

A

I

S

P

F

L

L

V

V

V

L

A

S

I

F

Y

Y
|
Y

A

V

V

Y

I

I

G

E

G

S

W

W

A

T

L

L

V

G

Y

F

I

A

G

I

K

K

A

F

A

L

T

V

G

G

L

L

F

V

T

P

G

E

-

P

-

P

-

P

A

T

D

D

A

P

E

D

A

S

I

I

G

L

G

R

Q

P

F

F

G

K

G

E

L

F

L

L

A

Y

N

S

-

Y

-

I

-

G

-

V

P

P

W

K

-

G

-

D

E

E

L

P

L

I

M

L

W

K

H

P

S

S

V

L

F

F

-

A

-

Y

-

I

-

V

-

F

-

L

-

I

-

T

M

M

V

F

I

I

V

N

V

V

F

S

I

I

V

L

G

I

R

R

G

G

I

I

R

S

S

K

G

G

L

I

E

E

K
x
R

A
x
F

V

A

N

K

M
x
I

L

A

M

M

P

P

L

T

L

L

F

F

V

I

L

L

L

A

V

V

A

F

M

L

V

V

I

I

Y

R

A

V

M

F

-

L

-

L

-

E

-

T

N

P

S

N

G

G

S

T

F

A

G

A

R

D

A

G

V

L

S

N

F

F

M

L

F

W

S

T

P

P

D

D

F

F

S

E

K

K

L

L

T

K

T

D

A

P

G

G

V

V

-

W

L

I

T

A

A

A

L

V

G

G

H

Q

A

I

A

F

F
|
F

T
|
T

L

L

S
|
S

I

L

G

G

I
x
F

G

G

V

A

L

I

M

I

A

T

Y

Y

G

A

S

S

Y

Y

L

V

P

R

K

K

T

D

V

Q

N

D

I

I

A

V

R

L

T

S

A

G

M

L

T

T

I

A

A

A

V

T

V

L

D
x
N

T

E

-

K

-

A

-

E

-

V

-

I

-

L

-

G

-

G

S

S

V

I

A

S

L

I

L

P

A

A

G

A

L

V

A

A

I

F

F

F

P

G

L

V

V

A

F

N

A

A

N

V

G

A

L

I

E

A

P

K

G

A

A

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

Q

Q

M

T

S

A

G

G

G

G

A

T

L

F

F

L

G

G

T

F

I

L

F

W

F

F

A

F

L

L

L

L

L

F

V
x
F

A
|
A

A

G

I

L

T
|
T

S
|
S

A

S

I

I

S

A

M

I

L

M

E

Q

P

P

V

M

V

I

E

A

W

F

L

L

E

E

E

D

H

E

K

L

G

K

V

L

S

S

R

R

A

K

K

H

S

A

A

V

I

L

G

W

G

T

G

A

L

A

A

I

I

V

W

F

F

F

I

-

G

-

I

-

G

-

T

-

V

-

L

-

S

-

F

-

N

-

V

-

W

-

E

-

S

S

V

A

H

H

P

L

L

V

G

M

F

F

I

L

P

-

F

-

F

-

E

-

G

-

K

N

T

K

V

S

F

L

D
|
D

L

E

L

M

D

D

F

F

L

W

V

A

S

G

N

T

L

I

M

G

M

V

P

V

L

F

G

F

G

G

L

L

A

T

I

E

A

L

L

I

F

I

A

F

G

F

W

W

A

I

M

F

K

G

R

A

E

D

S

K

L

A

P

W

A

E

D

E

I

I

G

N

L

R

Q

G

G

G

-

I

-

I

S

K

S

V

Y

P

K

R

A

I

F

Y

M

Y

F

Y

V

V

L

M

R

R

Y

Y

L

I

T

T

P

P

A

A

G

F

I

L

A

A

V

V

V

L

F

L

L

V

binding 3-(5h-dibenzo[b,f]azepin-5-yl)-n,n-dimethylpropan-1-amine: R27 (≠ K37), V30 (≠ Y40), Q31 (≠ I41), R188 (≠ K181), F189 (≠ A182), I192 (≠ M185), A314 (≠ G294), F315 (≠ P295), F345 (≠ V325), D396 (= D394)
binding leucine: A19 (= A29), G21 (= G31), L22 (= L32), G23 (= G33), Y105 (= Y115), F248 (= F236), T249 (= T237), S251 (= S239), F254 (≠ I242)
binding sodium ion: G17 (= G27), A19 (= A29), V20 (= V30), V20 (= V30), G21 (= G31), N24 (= N34), T249 (= T237), N281 (≠ D269), A346 (= A326), T349 (= T329), S350 (= S330)

3gwuA Leucine transporter leut in complex with sertraline (see paper)
29% identity, 96% coverage: 15:456/460 of query aligns to 4:459/509 of 3gwuA

query
sites
3gwuA

W

W

S

A

S

T

R

R

M

L

A

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
x
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

I

P

Y

Y

L

I

A

I

C

A

I

F

F

L

L

L

I

V

G

G

V

I

P

P

V

L

L

M

I

W

A

I

E

E

T

W

M

A

I

M

G

G

R

R

R

Y

G

G

G

G

Q

A

S

Q

P

G

V

H

A

G

T

T

M

T

R

P

T

A

L

I

T

F

K

Y

T

L

E

L

G

W

T

R

A

N

R

R

G

F

W

A

R

K

A

I

I

L

G

G

W

V

N

F

G

G

V

L

I

W

A

I

S

P

F

L

L

V

V

V

L

A

S

I

F

Y

Y
|
Y

A

V

V

Y

I

I

G

E

G

S

W

W

A

T

L

L

V

G

Y

F

I

A

G

I

K

K

A

F

A

L

T

V

G

G

L

L

F

V

T

P

G

E

-

P

-

P

-

P

A

T

D

D

A

P

E

D

A

S

I

I

G

L

G

R

Q

P

F

F

G

K

G

E

L

F

L

L

A

Y

N

S

-

Y

-

I

-

G

-

V

P

P

W

K

-

G

-

D

E

E

L

P

L

I

M

L

W

K

H

P

S

S

V

L

F

F

-

A

-

Y

-

I

-

V

-

F

-

L

-

I

-

T

M

M

V

F

I

I

V

N

V

V

F

S

I

I

V

L

G

I

R

R

G

G

I

I

R

S

S

K

G

G

L

I

E

E

K

R

A

F

V

A

N

K

M

I

L

A

M

M

P

P

L

T

L

L

F

F

V

I

L

L

L

A

V

V

A

F

M

L

V

V

I

I

Y

R

A

V

M

F

-

L

-

L

-

E

-

T

N

P

S

N

G

G

S

T

F

A

G

A

R

D

A

G

V

L

S

N

F

F

M

L

F

W

S

T

P

P

D

D

F

F

S

E

K

K

L

L

T

K

T

D

A

P

G

G

V

V

-

W

L

I

T

A

A

A

L

V

G

G

H

Q

A

I

A

F

F
|
F

T
|
T

L

L

S
|
S

I

L

G

G

I
x
F

G

G

V

A

L

I

M

I

A

T

Y

Y

G

A

S

S

Y

Y

L

V

P

R

K

K

T

D

V

Q

N

D

I

I

A

V

R

L

T

S

A

G

M

L

T

T

I

A

A

A

V

T

V

L

D

N

T

E

-

K

-

A

-

E

-

V

-

I

-

L

-

G

-

G

S

S

V

I

A

S

L

I

L

P

A

A

G

A

L

V

A

A

I

F

F

F

P

G

L

V

V

A

F

N

A

A

N

V

G

A

L

I

E

A

P

K

G

A

A

G

G
x
A

P

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

Q

Q

M

T

S

A

G

G

G

G

A

T

L

F

F

L

G

G

T

F

I

L

F

W

F

F

A

F

L

L

L

L

L

F

V

F

A

A

A

G

I

L

T

T

S

S

A

S

I

I

S

A

M

I

L

M

E

Q

P

P

V

M

V

I

E

A

W

F

L

L

E

E

E

D

H

E

K

L

G

K

V

L

S

S

R

R

A

K

K

H

S

A

A

V

I

L

G

W

G

T

G

A

L

A

A

I

I

V

W

F

F

F

I

-

G

-

I

-

G

-

T

-

V

-

L

-

S

-

F

-

N

-

V

-

W

-

E

-

S

S

V

A

H

H

P

L

L

V

G

M

F

F

I

L

P

-

F

-

F

-

E

-

G

-

K

N

T

K

V

S

F

L

D
|
D

L

E

L

M

D
|
D

F

F

L

W

V

A

S

G

N

T

L

I

M

G

M

V

P

V

L

F

G

F

G

G

L

L

A

T

I

E

A

L

L

I

F

I

A

F

G

F

W

W

A

I

M

F

K

G

R

A

E

D

S

K

L

A

P

W

A

E

D

E

I

I

G

N

L

R

Q

G

G

G

-

I

-

I

S

K

S

V

Y

P

K

R

A

I

F

Y

M

Y

F

Y

V

V

L

M

R

R

Y

Y

L

I

T

T

P

P

A

A

G

F

I

L

A

A

V

V

V

L

F

L

L

V

binding leucine: A18 (= A29), G20 (= G31), G22 (= G33), Y104 (= Y115), F247 (= F236), T248 (= T237), S250 (= S239), F253 (≠ I242)
binding (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine: L25 (≠ W36), R26 (≠ K37), Y104 (= Y115), F247 (= F236), A313 (≠ G294), D395 (= D394), D398 (= D397)

3f4jA Crystal structure of leut bound to glycine and sodium (see paper)
29% identity, 96% coverage: 15:456/460 of query aligns to 4:459/509 of 3f4jA

query
sites
3f4jA

W

W

S

A

S

T

R

R

M

L

A

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

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

I

P

Y

Y

L

I

A

I

C

A

I

F

F

L

L

L

I

V

G

G

V

I

P

P

V

L

L

M

I

W

A

I

E

E

T

W

M

A

I

M

G

G

R

R

R

Y

G

G

G

G

Q

A

S

Q

P

G

V

H

A

G

T

T

M

T

R

P

T

A

L

I

T

F

K

Y

T

L

E

L

G

W

T

R

A

N

R

R

G

F

W

A

R

K

A

I

I

L

G

G

W

V

N

F

G

G

V

L

I

W

A

I

S

P

F

L

L

V

V

V

L

A

S

I

F

Y

Y
|
Y

A

V

V

Y

I

I

G

E

G

S

W

W

A

T

L

L

V

G

Y

F

I

A

G

I

K

K

A

F

A

L

T

V

G

G

L

L

F

V

T

P

G

E

-

P

-

P

-

P

A

T

D

D

A

P

E

D

A

S

I

I

G

L

G

R

Q

P

F

F

G

K

G

E

L

F

L

L

A

Y

N

S

-

Y

-

I

-

G

-

V

P

P

W

K

-

G

-

D

E

E

L

P

L

I

M

L

W

K

H

P

S

S

V

L

F

F

-

A

-

Y

-

I

-

V

-

F

-

L

-

I

-

T

M

M

V

F

I

I

V

N

V

V

F

S

I

I

V

L

G

I

R

R

G

G

I

I

R

S

S

K

G

G

L

I

E

E

K

R

A

F

V

A

N

K

M

I

L

A

M

M

P

P

L

T

L

L

F

F

V

I

L

L

L

A

V

V

A

F

M

L

V

V

I

I

Y

R

A

V

M

F

-

L

-

L

-

E

-

T

N

P

S

N

G

G

S

T

F

A

G

A

R

D

A

G

V

L

S

N

F

F

M

L

F

W

S

T

P

P

D

D

F

F

S

E

K

K

L

L

T

K

T

D

A

P

G

G

V

V

-

W

L

I

T

A

A

A

L

V

G

G

H

Q

A

I

A

F

F
|
F

T
|
T

L

L

S
|
S

I

L

G

G

I

F

G

G

V

A

L

I

M

I

A

T

Y

Y

G

A

S

S

Y

Y

L

V

P

R

K

K

T

D

V

Q

N

D

I

I

A

V

R

L

T

S

A

G

M

L

T

T

I

A

A

A

V

T

V

L

D
x
N

T

E

-

K

-

A

-

E

-

V

-

I

-

L

-

G

-

G

S

S

V

I

A

S

L

I

L

P

A

A

G

A

L

V

A

A

I

F

F

F

P

G

L

V

V

A

F

N

A

A

N

V

G

A

L

I

E

A

P

K

G

A

A

G

G

A

P

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

Q

Q

M

T

S

A

G

G

G

G

A

T

L

F

F

L

G

G

T

F

I

L

F

W

F

F

A

F

L

L

L

L

L

F

V

F

A
|
A

A
x
G

I

L

T
|
T

S
|
S

A

S

I

I

S

A

M

I

L

M

E

Q

P

P

V

M

V

I

E

A

W

F

L

L

E

E

E

D

H

E

K

L

G

K

V

L

S

S

R

R

A

K

K

H

S

A

A

V

I

L

G

W

G

T

G

A

L

A

A

I

I

V

W

F

F

F

I

-

G

-

I

-

G

-

T

-

V

-

L

-

S

-

F

-

N

-

V

-

W

-

E

-

S

S

V

A

H

H

P

L

L

V

G

M

F

F

I

L

P

-

F

-

F

-

E

-

G

-

K

N

T

K

V

S

F

L

D

D

L

E

L

M

D

D

F

F

L

W

V

A

S

G

N

T

L

I

M

G

M

V

P

V

L

F

G

F

G

G

L

L

A

T

I

E

A

L

L

I

F

I

A

F

G

F

W

W

A

I

M

F

K

G

R

A

E

D

S

K

L

A

P

W

A

E

D

E

I

I

G

N

L

R

Q

G

G

G

-

I

-

I

S

K

S

V

Y

P

K

R

A

I

F

Y

M

Y

F

Y

V

V

L

M

R

R

Y

Y

L

I

T

T

P

P

A

A

G

F

I

L

A

A

V

V

V

L

F

L

L

V

binding glycine: A18 (= A29), G20 (= G31), G22 (= G33), Y104 (= Y115), F247 (= F236), T248 (= T237), S250 (= S239)
binding sodium ion: G16 (= G27), A18 (= A29), V19 (= V30), V19 (= V30), G20 (= G31), G22 (= G33), N23 (= N34), T248 (= T237), N280 (≠ D269), A345 (= A326), G346 (≠ A327), T348 (= T329), S349 (= S330)

3f3dA Crystal structure of leut bound to l-methionine and sodium (see paper)
29% identity, 96% coverage: 15:456/460 of query aligns to 4:459/509 of 3f3dA

query
sites
3f3dA

W

W

S

A

S

T

R

R

M

L

A

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

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

I

P

Y

Y

L

I

A

I

C

A

I

F

F

L

L

L

I

V

G

G

V

I

P

P

V

L

L

M

I

W

A

I

E

E

T

W

M

A

I

M

G

G

R

R

R

Y

G

G

G

G

Q

A

S

Q

P

G

V

H

A

G

T

T

M

T

R

P

T

A

L

I

T

F

K

Y

T

L

E

L

G

W

T

R

A

N

R

R

G

F

W

A

R

K

A

I

I

L

G

G

W

V

N

F

G

G

V

L

I

W

A

I

S

P

F

L

L

V

V

V

L

A

S

I

F

Y

Y
|
Y

A

V

V

Y

I

I

G

E

G

S

W

W

A

T

L

L

V

G

Y

F

I

A

G

I

K

K

A

F

A

L

T

V

G

G

L

L

F

V

T

P

G

E

-

P

-

P

-

P

A

T

D

D

A

P

E

D

A

S

I

I

G

L

G

R

Q

P

F

F

G

K

G

E

L

F

L

L

A

Y

N

S

-

Y

-

I

-

G

-

V

P

P

W

K

-

G

-

D

E

E

L

P

L

I

M

L

W

K

H

P

S

S

V

L

F

F

-

A

-

Y

-

I

-

V

-

F

-

L

-

I

-

T

M

M

V

F

I

I

V

N

V

V

F

S

I

I

V

L

G

I

R

R

G

G

I

I

R

S

S

K

G

G

L

I

E

E

K

R

A

F

V

A

N

K

M

I

L

A

M

M

P

P

L

T

L

L

F

F

V

I

L

L

L

A

V

V

A

F

M

L

V

V

I

I

Y

R

A

V

M

F

-

L

-

L

-

E

-

T

N

P

S

N

G

G

S

T

F

A

G

A

R

D

A

G

V

L

S

N

F

F

M

L

F

W

S

T

P

P

D

D

F

F

S

E

K

K

L

L

T

K

T

D

A

P

G

G

V

V

-

W

L

I

T

A

A

A

L

V

G

G

H

Q

A

I

A

F

F
|
F

T
|
T

L

L

S
|
S

I

L

G

G

I

F

G

G

V

A

L

I

M

I

A

T

Y

Y

G

A

S

S

Y

Y

L

V

P

R

K

K

T

D

V

Q

N

D

I

I

A

V

R

L

T

S

A

G

M

L

T

T

I

A

A

A

V

T

V

L

D
x
N

T

E

-

K

-

A

-

E

-

V

-

I

-

L

-

G

-

G

S

S

V

I

A

S

L

I

L

P

A

A

G

A

L

V

A

A

I

F

F

F

P

G

L

V

V

A

F

N

A

A

N

V

G

A

L

I

E

A

P

K

G

A

A

G

G

A

P

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

Q

Q

M

T

S

A

G

G

G

G

A

T

L

F

F

L

G

G

T

F

I

L

F

W

F

F

A

F

L

L

L

L

L

F

V

F

A
|
A

A

G

I

L

T
|
T

S
|
S

A

S

I

I

S

A

M
x
I

L

M

E

Q

P

P

V

M

V

I

E

A

W

F

L

L

E

E

E

D

H

E

K

L

G

K

V

L

S

S

R

R

A

K

K

H

S

A

A

V

I

L

G

W

G

T

G

A

L

A

A

I

I

V

W

F

F

F

I

-

G

-

I

-

G

-

T

-

V

-

L

-

S

-

F

-

N

-

V

-

W

-

E

-

S

S

V

A

H

H

P

L

L

V

G

M

F

F

I

L

P

-

F

-

F

-

E

-

G

-

K

N

T

K

V

S

F

L

D

D

L

E

L

M

D

D

F

F

L

W

V

A

S

G

N

T

L

I

M

G

M

V

P

V

L

F

G

F

G

G

L

L

A

T

I

E

A

L

L

I

F

I

A

F

G

F

W

W

A

I

M

F

K

G

R

A

E

D

S

K

L

A

P

W

A

E

D

E

I

I

G

N

L

R

Q

G

G

G

-

I

-

I

S

K

S

V

Y

P

K

R

A

I

F

Y

M

Y

F

Y

V

V

L

M

R

R

Y

Y

L

I

T

T

P

P

A

A

G

F

I

L

A

A

V

V

V

L

F

L

L

V

binding methionine: N17 (≠ S28), A18 (= A29), G20 (= G31), G22 (= G33), Y104 (= Y115), F247 (= F236), T248 (= T237), S250 (= S239), S349 (= S330), I353 (≠ M334)
binding sodium ion: G16 (= G27), A18 (= A29), V19 (= V30), V19 (= V30), G20 (= G31), N23 (= N34), T248 (= T237), N280 (≠ D269), A345 (= A326), T348 (= T329), S349 (= S330)

3f3cA Crystal structure of leut bound to 4-fluoro-l-phenylalanine and sodium (see paper)
29% identity, 96% coverage: 15:456/460 of query aligns to 4:459/509 of 3f3cA

query
sites
3f3cA

W

W

S

A

S

T

R

R

M

L

A

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

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

I

P

Y

Y

L

I

A

I

C

A

I

F

F

L

L

L

I

V

G

G

V

I

P

P

V

L

L

M

I

W

A

I

E

E

T

W

M

A

I

M

G

G

R

R

R

Y

G

G

G

G

Q

A

S

Q

P

G

V

H

A

G

T

T

M

T

R

P

T

A

L

I

T

F

K

Y

T

L

E

L

G

W

T

R

A

N

R

R

G

F

W

A

R

K

A

I

I

L

G

G

W

V

N

F

G

G

V

L

I

W

A

I

S

P

F

L

L

V

V

V

L

A

S

I

F

Y

Y
|
Y

A

V

V

Y

I

I

G

E

G

S

W

W

A

T

L

L

V

G

Y

F

I

A

G

I

K

K

A

F

A

L

T

V

G

G

L

L

F

V

T

P

G

E

-

P

-

P

-

P

A

T

D

D

A

P

E

D

A

S

I

I

G

L

G

R

Q

P

F

F

G

K

G

E

L

F

L

L

A

Y

N

S

-

Y

-

I

-

G

-

V

P

P

W

K

-

G

-

D

E

E

L

P

L

I

M

L

W

K

H

P

S

S

V

L

F

F

-

A

-

Y

-

I

-

V

-

F

-

L

-

I

-

T

M

M

V

F

I

I

V

N

V

V

F

S

I

I

V

L

G

I

R

R

G

G

I

I

R

S

S

K

G

G

L

I

E

E

K

R

A

F

V

A

N

K

M

I

L

A

M

M

P

P

L

T

L

L

F

F

V

I

L

L

L

A

V

V

A

F

M

L

V

V

I

I

Y

R

A

V

M

F

-

L

-

L

-

E

-

T

N

P

S

N

G

G

S

T

F

A

G

A

R

D

A

G

V

L

S

N

F

F

M

L

F

W

S

T

P

P

D

D

F

F

S

E

K

K

L

L

T

K

T

D

A

P

G

G

V

V

-

W

L

I

T

A

A

A

L

V

G

G

H

Q

A

I

A

F

F
|
F

T
|
T

L

L

S
|
S

I

L

G

G

I
x
F

G

G

V

A

L

I

M

I

A

T

Y

Y

G

A

S

S

Y

Y

L

V

P

R

K

K

T

D

V

Q

N

D

I

I

A

V

R

L

T

S

A

G

M

L

T

T

I

A

A

A

V

T

V

L

D
x
N

T

E

-

K

-

A

-

E

-

V

-

I

-

L

-

G

-

G

S

S

V

I

A

S

L

I

L

P

A

A

G

A

L

V

A

A

I

F

F

F

P

G

L

V

V

A

F

N

A

A

N

V

G

A

L

I

E

A

P

K

G

A

A

G

G

A

P

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

Q

Q

M

T

S

A

G

G

G

G

A

T

L

F

F

L

G

G

T

F

I

L

F

W

F

F

A

F

L

L

L

L

L

F

V

F

A
|
A

A

G

I

L

T
|
T

S
|
S

A

S

I

I

S

A

M
x
I

L

M

E

Q

P

P

V

M

V

I

E

A

W

F

L

L

E

E

E

D

H

E

K

L

G

K

V

L

S

S

R

R

A

K

K

H

S

A

A

V

I

L

G

W

G

T

G

A

L

A

A

I

I

V

W

F

F

F

I

-

G

-

I

-

G

-

T

-

V

-

L

-

S

-

F

-

N

-

V

-

W

-

E

-

S

S

V

A

H

H

P

L

L

V

G

M

F

F

I

L

P

-

F

-

F

-

E

-

G

-

K

N

T

K

V

S

F

L

D

D

L

E

L

M

D

D

F

F

L

W

V

A

S

G

N

T

L

I

M

G

M

V

P

V

L

F

G

F

G

G

L

L

A

T

I

E

A

L

L

I

F

I

A

F

G

F

W

W

A

I

M

F

K

G

R

A

E

D

S

K

L

A

P

W

A

E

D

E

I

I

G

N

L

R

Q

G

G

G

-

I

-

I

S

K

S

V

Y

P

K

R

A

I

F

Y

M

Y

F

Y

V

V

L

M

R

R

Y

Y

L

I

T

T

P

P

A

A

G

F

I

L

A

A

V

V

V

L

F

L

L

V

binding sodium ion: G16 (= G27), A18 (= A29), V19 (= V30), V19 (= V30), G20 (= G31), N23 (= N34), T248 (= T237), N280 (≠ D269), A345 (= A326), T348 (= T329), S349 (= S330)
binding 4-fluoro-l-phenylalanine: N17 (≠ S28), A18 (= A29), G20 (= G31), G22 (= G33), Y104 (= Y115), F247 (= F236), T248 (= T237), S250 (= S239), F253 (≠ I242), S349 (= S330), I353 (≠ M334)

Query Sequence

>GFF878 FitnessBrowser__Marino:GFF878
MSESTQPHQQANNLWSSRMAFILAAAGSAVGLGNIWKFPYITGENGGGAFVLIYLACIFL
IGVPVLIAETMIGRRGGQSPVATMRTLTKTEGTARGWRAIGWNGVIASFLVLSFYAVIGG
WALVYIGKAATGLFTGADAEAIGGQFGGLLANPWELLMWHSVFMVIVVFIVGRGIRSGLE
KAVNMLMPLLFVLLVAMVIYAMNSGSFGRAVSFMFSPDFSKLTTAGVLTALGHAAFTLSI
GIGVLMAYGSYLPKTVNIARTAMTIAVVDTSVALLAGLAIFPLVFANGLEPGAGPGLIFV
TLPLAFGQMSGGALFGTIFFALLLVAAITSAISMLEPVVEWLEEHKGVSRAKSAIGGGLA
IWFIGIGTVLSFNVWESVHPLGFIPFFEGKTVFDLLDFLVSNLMMPLGGLAIALFAGWAM
KRESLPADIGLQGSSYKAFMFVLRYLTPAGIAVVFLYNLL

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory