SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 206527 MicrobesOnline__882:206527 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)
41% identity, 99% coverage: 7:453/453 of query aligns to 1:444/446 of 6yu6B

query
sites
6yu6B

G

G

R

R

D

E

G

Q

F

W

A

A

T

S

R

R

L

L

G

G

V

F

L

I

A

L

A

A

T

A

L

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

A

Y

L

V

T

T

G

G

Q

E

N

N

G

G

G

G

A

A

T

A

F

F

L

L

L

L

V

V

Y

Y

I

L

I

G

A

F

T

I

L

A

L

L

V

I

G

G

L

I

P

P

V

I

M

V

I

L

S

A

E

E

I

F

M

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I

G

G

R

R

K

R

A

A

K

Q

A

S

N

D

A

A

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V

R

G

T

S

Y

F

R

E

E

K

L

L

G

A

P

P

K

-

G

G

Q

K

P

P

W

W

S

K

L

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I

A

G

G

I

L

S

M

G

G

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I

A

A

A

A

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F

L

L

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I

M

L

G

S

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F

Y

Y

T

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D

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V

I

A

A

G

G

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I

F

L

A

F

Y

Y

I

L

F

F

K

N

A

Y

M

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G

S

Q

I

L

A

W

T

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T

A

D

P

P

A

A

E

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G

A

F

K

G

E

G

A

F

F

F

V

E

A

G

L

F

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I

G

A

S

N

P

P

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L

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L

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F

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Q

W

A

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A

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M

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V

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C

A

A

I

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L

P

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K

G

A

A

A

K

E

E

G

G

L

L

A

A

F

F

L

L

F

F

T

S

P

P

D

D

F

W

S

S

K

A

I

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K

G

D

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P

G

G

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V

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Y

L

L

M

A

A

A

L

I

G

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L

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A

A

F

F

F
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F

K
x
T

L

L

S
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S

I

L

G

G

M
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M

G

G

T

A

M

L

T

I

T

T

Y

Y

G

G

S

S

Y

Y

F

V

R

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D

K

D

D

Q

S

N

R

I

L

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P

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G

T

A

A

A

A

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S

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V

M

A

L

G

C

L

D

D

L

T

S

A

I

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S

A

I

I

L

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A

A

G

G

V

I

A

M

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I

F

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P

A

A

V

V

F

F

N

A

F

L

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G

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P

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S

A

G

G

G

P

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S

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L

L

L

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F

M

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T

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I

L

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P

A

D

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I

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F

A

D

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S

M

I

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R

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L

G

G

Q

P

L

I

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T

G

V

I

I

A

F

F

F

F

C

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L

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T

L

A

G

I

A

A

A

A

A

T

L

G

S

A

S

M

A

L

V

S

S

L
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L

F

L

E

E

V

V

P

P

V

V

A

A

W

Y

L

F

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M

E

R

E

K

F

F

K

D

M

W

S

S

R

R

A

K

K

Q

A

A

T

A

I

I

G

T

T

L

A

G

L

V

V

I

L

I

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T

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M

L

G

G

A

I

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P

A

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T

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L

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S

M

F

S

G

V

V

L

L

G

G

D

E

F

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K

T

M

I

F

I

-

P

G

G

L

L

N

N

M

I

F

F

D

D

L

S

Y

V

D

D

F

F

V

I

S

A

S

S

N

S

I

V

L

F

L

L

P

P

V

L

G

G

G

G

I

M

F

I

I

I

C

A

I

L

F

F

A

I

G

G

W

W

V

G

W

W

G

-

S

-

K

-

R

K

T

T

R

S

E

D

L

A

L

L

S

A

N

E

G

S

G

D

H

L

L

T

D

D

N

S

A

-

A

-

V

-

V

V

S

W

G

G

F

K

L

L

F

W

V

I

-

L

-

S

V

L

K

R

W

F

V

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S

A

P

P

V

I

L

A

V

I

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L

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I

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V

L

F

L

L

N

S

G

A

L

F

K

Q

L

I

F

F

binding leucine: S18 (= S24), A19 (= A25), G21 (= G27), G23 (= G29), F223 (= F229), T224 (≠ K230), S226 (= S232), M229 (= M235), L321 (= L327)

6yu7A Crystal structure of mhst in complex with l-tyrosine (see paper)
41% identity, 98% coverage: 7:451/453 of query aligns to 1:442/442 of 6yu7A

query
sites
6yu7A

G

G

R

R

D

E

G

Q

F

W

A

A

T

S

R

R

L

L

G

G

V

F

L

I

A

L

A

A

T

A

L

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

A

Y

L

V

T

T

G

G

Q

E

N

N

G

G

G

G

A

A

T

A

F

F

L

L

L

L

V

V

Y

Y

I

L

I

G

A

F

T

I

L

A

L

L

V

I

G

G

L

I

P

P

V

I

M

V

I

L

S

A

E

E

I

F

M

T

L

I

G

G

R

R

K

R

A

A

K

Q

A

S

N

D

A

A

V

V

R

G

T

S

Y

F

R

E

E

K

L

L

G

A

P

P

K

-

G

G

Q

K

P

P

W

W

S

K

L

V

I

A

G

G

I

L

S

M

G

G

V

V

I

A

A

A

A

G

V

F

L

L

I

I

M

L

G

S

F

F

Y
|
Y

T

G

D

V

V

I

A

A

G

G

W

W

V

I

F

L

A

F

Y

Y

I

L

F

F

K

N

A

Y

M

I

S

T

G

G

S

Q

I

L

A

W

T

S

T

A

D

P

P

A

A

E

V

G

A

F

K

G

E

G

A

F

F

F

V

E

A

G

L

F

V

I

G

A

S

N

P

P

T

T

Q

L

S

P

L

L

M

F

W

W

Q

Q

W

A

I

L

V

F

L

M

A

I

L

A

V

T

S

I

A

W

I

I

I

V

L

A

G

I

G

G

V

V

S

K

S

K

G

G

I

I

E

E

R

R

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S

T

N

K

K

I

I

L

L

M

M

P

P

V

L

L

L

L

G

L

V

L

L

L

L

C

I

V

A

V

L

C

A

A

I

R

Y

S

S

L

L

T

T

L

L

P

G

K

G

A

A

A

K

E

E

G

G

L

L

A

A

F

F

L

L

F

F

T

S

P

P

D

D

F

W

S

S

K

A

I

L

T

K

G

D

-

P

G

G

V

V

I

Y

L

L

M

A

A

A

L

I

G

S

L

Q

A

A

F

F

F
|
F

K
x
T

L

L

S
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S

I

L

G

G

M
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M

G

G

T

A

M

L

T

I

T

T

Y

Y

G

G

S

S

Y

Y

F

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K

D

D

Q

S

N

R

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T

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A

A

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A

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C

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D

L

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S

A

I

I

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I

A

A

G

G

V

I

A

M

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I

F

F

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P

A

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V

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F

N

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V

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A

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F

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I

A

A

A

A

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A

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M

A

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S

L
|
L

F

L

E

E

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V

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P

V

V

A

A

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Y

L

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K

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L

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V

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L

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V

L

L

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G

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E

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V

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T

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I

F

I

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P

G

G

L

L

N

N

M

I

F

F

D

D

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Y

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D

F

F

V

I

S

A

S

S

N

S

I

V

L

F

L

L

P

P

V

L

G

G

G

G

I

M

F

I

I

I

C

A

I

L

F

F

A

I

G

G

W

W

V

G

W

W

G

-

S

-

K

-

R

K

T

T

R

S

E

D

L

A

L

L

S

A

N

E

G

S

G

D

H

L

L

T

D

D

N

S

A

-

A

-

V

-

V

V

S

W

G

G

F

K

L

L

F

W

V

I

-

L

-

S

V

L

K

R

W

F

V

I

S

A

P

P

V

I

L

A

V

I

T

L

I

I

V

V

L

F

L

L

N

S

G

A

L

F

K

Q

binding tyrosine: S18 (= S24), A19 (= A25), G21 (= G27), G23 (= G29), Y101 (= Y108), F223 (= F229), T224 (≠ K230), S226 (= S232), M229 (= M235), L321 (= L327)

6yu4A Crystal structure of mhst in complex with l-4f-phenylalanine (see paper)
41% identity, 98% coverage: 7:451/453 of query aligns to 1:442/442 of 6yu4A

query
sites
6yu4A

G

G

R

R

D

E

G

Q

F

W

A

A

T

S

R

R

L

L

G

G

V

F

L

I

A

L

A

A

T

A

L

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

A

Y

L

V

T

T

G

G

Q

E

N

N

G

G

G

G

A

A

T

A

F

F

L

L

L

L

V

V

Y

Y

I

L

I

G

A

F

T

I

L

A

L

L

V

I

G

G

L

I

P

P

V

I

M

V

I

L

S

A

E

E

I

F

M

T

L

I

G

G

R

R

K

R

A

A

K

Q

A

S

N

D

A

A

V

V

R

G

T

S

Y

F

R

E

E

K

L

L

G

A

P

P

K

-

G

G

Q

K

P

P

W

W

S

K

L

V

I

A

G

G

I

L

S

M

G

G

V

V

I

A

A

A

A

G

V

F

L

L

I

I

M

L

G

S

F

F

Y
|
Y

T

G

D

V

V

I

A

A

G

G

W

W

V

I

F

L

A

F

Y

Y

I

L

F

F

K

N

A

Y

M

I

S

T

G

G

S

Q

I

L

A

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T

A

D

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P

A

A

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V

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A

F

K

G

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G

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F

F

F

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F

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I

G

A

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N

P

P

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T

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P

L

L

M

F

W

W

Q

Q

W

A

I

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F

L

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A

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L

A

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A

W

I

I

I

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A

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I

G

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V

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S

K

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G

I

I

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T

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K

K

I

I

L

L

M

M

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L

L

L

L

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L

V

L

L

L

L

C

I

V

A

V

L

C

A

A

I

R

Y

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S

L

L

T

T

L

L

P

G

K

G

A

A

A

K

E

E

G

G

L

L

A

A

F

F

L

L

F

F

T

S

P

P

D

D

F

W

S

S

K

A

I

L

T

K

G

D

-

P

G

G

V

V

I

Y

L

L

M

A

A

A

L

I

G

S

L

Q

A

A

F

F

F
|
F

K
x
T

L

L

S
|
S

I

L

G

G

M
|
M

G

G

T

A

M

L

T

I

T

T

Y

Y

G

G

S

S

Y

Y

F

V

R

S

D

K

D

D

Q

S

N

R

I

L

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P

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A

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A

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I

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I

A

A

G

G

V

I

A

M

I

I

F

F

P

P

A

A

V

V

F

F

N

A

F

L

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G

F

L

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P

S

S

A

G

G

G

P

P

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L

L

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F

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A

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F

F

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G

I

A

A

A

A

A

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A

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M

A

L

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S

S

L
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F

L

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E

V

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P

P

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V

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A

W

Y

L

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M

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L

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G

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I

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P

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F

S

G

V

V

L

L

G

G

D

E

F

V

K

T

M

I

F

I

-

P

G

G

L

L

N

N

M

I

F

F

D

D

L

S

Y

V

D

D

F

F

V

I

S

A

S

S

N

S

I

V

L

F

L

L

P

P

V

L

G

G

G

G

I

M

F

I

I

I

C

A

I

L

F

F

A

I

G

G

W

W

V

G

W

W

G

-

S

-

K

-

R

K

T

T

R

S

E

D

L

A

L

L

S

A

N

E

G

S

G

D

H

L

L

T

D

D

N

S

A

-

A

-

V

-

V

V

S

W

G

G

F

K

L

L

F

W

V

I

-

L

-

S

V

L

K

R

W

F

V

I

S

A

P

P

V

I

L

A

V

I

T

L

I

I

V

V

L

F

L

L

N

S

G

A

L

F

K

Q

binding 4-fluoro-l-phenylalanine: S18 (= S24), A19 (= A25), G21 (= G27), L22 (= L28), G23 (= G29), Y101 (= Y108), F223 (= F229), T224 (≠ K230), S226 (= S232), M229 (= M235), L321 (= L327)

6yu5A Crystal structure of mhst in complex with l-valine (see paper)
42% identity, 98% coverage: 7:448/453 of query aligns to 1:439/441 of 6yu5A

query
sites
6yu5A

G

G

R

R

D

E

G

Q

F

W

A

A

T

S

R

R

L

L

G

G

V

F

L

I

A

L

A

A

T

A

L

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

A

Y

L

V

T

T

G

G

Q

E

N

N

G

G

G

G

A

A

T

A

F

F

L

L

L

L

V

V

Y

Y

I

L

I

G

A

F

T

I

L

A

L

L

V

I

G

G

L

I

P

P

V

I

M

V

I

L

S

A

E

E

I

F

M

T

L

I

G

G

R

R

K

R

A

A

K

Q

A

S

N

D

A

A

V

V

R

G

T

S

Y

F

R

E

E

K

L

L

G

A

P

P

K

-

G

G

Q

K

P

P

W

W

S

K

L

V

I

A

G

G

I

L

S

M

G

G

V

V

I

A

A

A

A

G

V

F

L

L

I

I

M

L

G

S

F

F

Y
|
Y

T

G

D

V

V

I

A

A

G

G

W

W

V

I

F

L

A

F

Y

Y

I

L

F

F

K

N

A

Y

M

I

S

T

G

G

S

Q

I

L

A

W

T

S

T

A

D

P

P

A

A

E

V

G

A

F

K

G

E

G

A

F

F

F

V

E

A

G

L

F

V

I

G

A

S

N

P

P

T

T

Q

L

S

P

L

L

M

F

W

W

Q

Q

W

A

I

L

V

F

L

M

A

I

L

A

V

T

S

I

A

W

I

I

I

V

L

A

G

I

G

G

V

V

S

K

S

K

G

G

I

I

E

E

R

R

T

S

T

N

K

K

I

I

L

L

M

M

P

P

V

L

L

L

L

G

L

V

L

L

L

L

C

I

V

A

V

L

C

A

A

I

R

Y

S

S

L

L

T

T

L

L

P

G

K

G

A

A

A

K

E

E

G

G

L

L

A

A

F

F

L

L

F

F

T

S

P

P

D

D

F

W

S

S

K

A

I

L

T

K

G

D

-

P

G

G

V

V

I

Y

L

L

M

A

A

A

L

I

G

S

L

Q

A

A

F

F

F
|
F

K
x
T

L

L

S
|
S

I

L

G

G

M

M

G

G

T

A

M

L

T

I

T

T

Y

Y

G

G

S

S

Y

Y

F

V

R

S

D

K

D

D

Q

S

N

R

I

L

P

P

V

G

T

A

A

A

A

V

R

S

V

V

M

A

L

G

C

L

D

D

L

T

S

A

I

F

S

A

I

I

L

I

A

A

G

G

V

I

A

M

I

I

F

F

P

P

A

A

V

V

F

F

N

A

F

L

G

G

F

L

E

S

P

P

S

S

A

G

G

G

P

P

S

G

L

L

L

V

F

F

M

V

T

V

I

L

P

P

A

D

V

I

F

F

A

D

S

S

M

I

P

R

G

L

G

G

Q

P

L

I

F

V

T

G

V

I

I

A

F

F

F

F

C

I

L

L

T

L

A

G

I

A

A

A

A

A

T

L

G

S

A
x
S

M

A

L

V

S

S

L

L

F

L

E

E

V

V

P

P

V

V

A

A

W

Y

L

F

V

M

E

R

E

K

F

F

K

D

M

W

S

S

R

R

A

K

K

Q

A

A

T

A

I

I

G

T

T

L

A

G

L

V

V

I

L

I

G

T

V

L

M

L

G

G

A

I

P

P

A

S

T

S

L

L

S

S

M

F

S

G

V

V

L

L

G

G

D

E

F

V

K

T

M

I

F

I

-

P

G

G

L

L

N

N

M

I

F

F

D

D

L

S

Y

V

D

D

F

F

V

I

S

A

S

S

N

S

I

V

L

F

L

L

P

P

V

L

G

G

G

G

I

M

F

I

I

I

C

A

I

L

F

F

A

I

G

G

W

W

V

G

W

W

G

-

S

-

K

-

R

K

T

T

R

S

E

D

L

A

L

L

S

A

N

E

G

S

G

D

H

L

L

T

D

D

N

S

A

-

A

-

V

-

V

V

S

W

G

G

F

K

L

L

F

W

V

I

-

L

-

S

V

L

K

R

W

F

V

I

S

A

P

P

V

I

L

A

V

I

T

L

I

I

V

V

L

F

L

L

N

S

binding valine: S18 (= S24), A19 (= A25), G23 (= G29), Y101 (= Y108), F223 (= F229), T224 (≠ K230), S226 (= S232), S317 (≠ A323)

6yu3A Crystal structure of mhst in complex with l-phenylalanine (see paper)
42% identity, 98% coverage: 7:448/453 of query aligns to 1:439/441 of 6yu3A

query
sites
6yu3A

G

G

R

R

D

E

G

Q

F

W

A

A

T

S

R

R

L

L

G

G

V

F

L

I

A

L

A

A

T

A

L

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

A

Y

L

V

T

T

G

G

Q

E

N

N

G

G

G

G

A

A

T

A

F

F

L

L

L

L

V

V

Y

Y

I

L

I

G

A

F

T

I

L

A

L

L

V

I

G

G

L

I

P

P

V

I

M

V

I

L

S

A

E

E

I

F

M

T

L

I

G

G

R

R

K

R

A

A

K

Q

A

S

N

D

A

A

V

V

R

G

T

S

Y

F

R

E

E

K

L

L

G

A

P

P

K

-

G

G

Q

K

P

P

W

W

S

K

L

V

I

A

G

G

I

L

S

M

G

G

V

V

I

A

A

A

A

G

V

F

L

L

I

I

M

L

G

S

F

F

Y
|
Y

T

G

D

V

V

I

A

A

G

G

W

W

V

I

F

L

A

F

Y

Y

I

L

F

F

K

N

A

Y

M

I

S

T

G

G

S

Q

I

L

A

W

T

S

T

A

D

P

P

A

A

E

V

G

A

F

K

G

E

G

A

F

F

F

V

E

A

G

L

F

V

I

G

A

S

N

P

P

T

T

Q

L

S

P

L

L

M

F

W

W

Q

Q

W

A

I

L

V

F

L

M

A

I

L

A

V

T

S

I

A

W

I

I

I

V

L

A

G

I

G

G

V

V

S

K

S

K

G

G

I

I

E

E

R

R

T

S

T

N

K

K

I

I

L

L

M

M

P

P

V

L

L

L

L

G

L

V

L

L

L

L

C

I

V

A

V

L

C

A

A

I

R

Y

S

S

L

L

T

T

L

L

P

G

K

G

A

A

A

K

E

E

G

G

L

L

A

A

F

F

L

L

F

F

T

S

P

P

D

D

F

W

S

S

K

A

I

L

T

K

G

D

-

P

G

G

V

V

I

Y

L

L

M

A

A

A

L

I

G

S

L

Q

A

A

F

F

F
|
F

K
x
T

L

L

S
|
S

I

L

G

G

M
|
M

G

G

T

A

M

L

T

I

T

T

Y

Y

G

G

S

S

Y

Y

F

V

R

S

D

K

D

D

Q

S

N

R

I

L

P

P

V

G

T

A

A

A

A

V

R

S

V

V

M

A

L

G

C

L

D

D

L

T

S

A

I

F

S

A

I

I

L

I

A

A

G

G

V

I

A

M

I

I

F

F

P

P

A

A

V

V

F

F

N

A

F

L

G

G

F

L

E

S

P

P

S

S

A

G

G

G

P

P

S

G

L

L

L

V

F

F

M

V

T

V

I

L

P

P

A

D

V

I

F

F

A

D

S

S

M

I

P

R

G

L

G

G

Q

P

L

I

F

V

T

G

V

I

I

A

F

F

F

F

C

I

L

L

T

L

A

G

I

A

A

A

A

A

T

L

G

S

A

S

M

A

L

V

S

S

L
|
L

F

L

E

E

V

V

P

P

V

V

A

A

W

Y

L

F

V

M

E

R

E

K

F

F

K

D

M

W

S

S

R

R

A

K

K

Q

A

A

T

A

I

I

G

T

T

L

A

G

L

V

V

I

L

I

G

T

V

L

M

L

G

G

A

I

P

P

A

S

T

S

L

L

S

S

M

F

S

G

V

V

L

L

G

G

D

E

F

V

K

T

M

I

F

I

-

P

G

G

L

L

N

N

M

I

F

F

D

D

L

S

Y

V

D

D

F

F

V

I

S

A

S

S

N

S

I

V

L

F

L

L

P

P

V

L

G

G

G

G

I

M

F

I

I

I

C

A

I

L

F

F

A

I

G

G

W

W

V

G

W

W

G

-

S

-

K

-

R

K

T

T

R

S

E

D

L

A

L

L

S

A

N

E

G

S

G

D

H

L

L

T

D

D

N

S

A

-

A

-

V

-

V

V

S

W

G

G

F

K

L

L

F

W

V

I

-

L

-

S

V

L

K

R

W

F

V

I

S

A

P

P

V

I

L

A

V

I

T

L

I

I

V

V

L

F

L

L

N

S

binding phenylalanine: S18 (= S24), A19 (= A25), G21 (= G27), G23 (= G29), Y101 (= Y108), F223 (= F229), T224 (≠ K230), S226 (= S232), M229 (= M235), L321 (= L327)

6yu2A Crystal structure of mhst in complex with l-isoleucine (see paper)
42% identity, 98% coverage: 7:448/453 of query aligns to 1:439/441 of 6yu2A

query
sites
6yu2A

G

G

R

R

D

E

G

Q

F

W

A

A

T

S

R

R

L

L

G

G

V

F

L

I

A

L

A

A

T

A

L

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

A

Y

L

V

T

T

G

G

Q

E

N

N

G

G

G

G

A

A

T

A

F

F

L

L

L

L

V

V

Y

Y

I

L

I

G

A

F

T

I

L

A

L

L

V

I

G

G

L

I

P

P

V

I

M

V

I

L

S

A

E

E

I

F

M

T

L

I

G

G

R

R

K

R

A

A

K

Q

A

S

N

D

A

A

V

V

R

G

T

S

Y

F

R

E

E

K

L

L

G

A

P

P

K

-

G

G

Q

K

P

P

W

W

S

K

L

V

I

A

G

G

I

L

S

M

G

G

V

V

I

A

A

A

A

G

V

F

L

L

I

I

M

L

G

S

F

F

Y
|
Y

T

G

D

V

V

I

A

A

G

G

W

W

V

I

F

L

A

F

Y

Y

I

L

F

F

K

N

A

Y

M

I

S

T

G

G

S

Q

I

L

A

W

T

S

T

A

D

P

P

A

A

E

V

G

A

F

K

G

E

G

A

F

F

F

V

E

A

G

L

F

V

I

G

A

S

N

P

P

T

T

Q

L

S

P

L

L

M

F

W

W

Q

Q

W

A

I

L

V

F

L

M

A

I

L

A

V

T

S

I

A

W

I

I

I

V

L

A

G

I

G

G

V

V

S

K

S

K

G

G

I

I

E

E

R

R

T

S

T

N

K

K

I

I

L

L

M

M

P

P

V

L

L

L

L

G

L

V

L

L

L

L

C

I

V

A

V

L

C

A

A

I

R

Y

S

S

L

L

T

T

L

L

P

G

K

G

A

A

A

K

E

E

G

G

L

L

A

A

F

F

L

L

F

F

T

S

P

P

D

D

F

W

S

S

K

A

I

L

T

K

G

D

-

P

G

G

V

V

I

Y

L

L

M

A

A

A

L

I

G

S

L

Q

A

A

F

F

F
|
F

K

T

L

L

S

S

I

L

G

G

M
|
M

G

G

T

A

M

L

T

I

T

T

Y

Y

G

G

S

S

Y

Y

F

V

R

S

D

K

D

D

Q

S

N

R

I

L

P

P

V

G

T

A

A

A

A

V

R

S

V

V

M

A

L

G

C

L

D

D

L

T

S

A

I

F

S

A

I

I

L

I

A

A

G

G

V

I

A

M

I

I

F

F

P

P

A

A

V

V

F

F

N

A

F

L

G

G

F

L

E

S

P

P

S

S

A

G

G

G

P

P

S

G

L

L

L

V

F

F

M

V

T

V

I

L

P

P

A

D

V

I

F

F

A

D

S

S

M

I

P

R

G

L

G

G

Q

P

L

I

F

V

T

G

V

I

I

A

F

F

F

F

C

I

L

L

T

L

A

G

I

A

A

A

A

A

T

L

G

S

A
x
S

M

A

L

V

S

S

L

L

F

L

E

E

V

V

P

P

V

V

A

A

W

Y

L

F

V

M

E

R

E

K

F

F

K

D

M

W

S

S

R

R

A

K

K

Q

A

A

T

A

I

I

G

T

T

L

A

G

L

V

V

I

L

I

G

T

V

L

M

L

G

G

A

I

P

P

A

S

T

S

L

L

S

S

M

F

S

G

V

V

L

L

G

G

D

E

F

V

K

T

M

I

F

I

-

P

G

G

L

L

N

N

M

I

F

F

D

D

L

S

Y

V

D

D

F

F

V

I

S

A

S

S

N

S

I

V

L

F

L

L

P

P

V

L

G

G

G

G

I

M

F

I

I

I

C

A

I

L

F

F

A

I

G

G

W

W

V

G

W

W

G

-

S

-

K

-

R

K

T

T

R

S

E

D

L

A

L

L

S

A

N

E

G

S

G

D

H

L

L

T

D

D

N

S

A

-

A

-

V

-

V

V

S

W

G

G

F

K

L

L

F

W

V

I

-

L

-

S

V

L

K

R

W

F

V

I

S

A

P

P

V

I

L

A

V

I

T

L

I

I

V

V

L

F

L

L

N

S

binding isoleucine: S18 (= S24), A19 (= A25), G21 (= G27), G23 (= G29), Y101 (= Y108), F223 (= F229), M229 (= M235), S317 (≠ A323)

4us3A Crystal structure of the bacterial nss member mhst in an occluded inward-facing state (see paper)
42% identity, 98% coverage: 7:448/453 of query aligns to 1:439/441 of 4us3A

query
sites
4us3A

G

G

R

R

D

E

G

Q

F

W

A

A

T

S

R

R

L

L

G

G

V

F

L

I

A

L

A

A

T

A

L

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

A

Y

L

V

T

T

G

G

Q

E

N

N

G

G

G

G

A

A

T

A

F

F

L

L

L

L

V

V

Y

Y

I

L

I

G

A

F

T

I

L

A

L

L

V

I

G

G

L

I

P

P

V

I

M

V

I

L

S

A

E

E

I

F

M

T

L

I

G

G

R

R

K

R

A

A

K

Q

A

S

N

D

A

A

V

V

R

G

T

S

Y

F

R

E

E

K

L

L

G

A

P

P

K

-

G

G

Q

K

P

P

W

W

S

K

L

V

I

A

G

G

I

L

S

M

G

G

V

V

I

A

A

A

A

G

V

F

L

L

I

I

M

L

G

S

F

F

Y
|
Y

T

G

D

V

V

I

A

A

G

G

W

W

V

I

F

L

A

F

Y

Y

I

L

F

F

K

N

A

Y

M

I

S

T

G

G

S

Q

I

L

A

W

T

S

T

A

D

P

P

A

A

E

V

G

A

F

K

G

E

G

A

F

F

F

V

E

A

G

L

F

V

I

G

A

S

N

P

P

T

T

Q

L

S

P

L

L

M

F

W

W

Q

Q

W

A

I

L

V

F

L

M

A

I

L

A

V

T

S

I

A

W

I

I

I

V

L

A

G

I

G

G

V

V

S

K

S

K

G

G

I

I

E

E

R

R

T

S

T

N

K

K

I

I

L

L

M

M

P

P

V

L

L

L

L

G

L

V

L

L

L

L

C

I

V

A

V

L

C

A

A

I

R

Y

S

S

L

L

T

T

L

L

P

G

K

G

A

A

A

K

E

E

G

G

L

L

A

A

F

F

L

L

F

F

T

S

P

P

D

D

F

W

S

S

K

A

I

L

T

K

G

D

-

P

G

G

V

V

I

Y

L

L

M

A

A

A

L

I

G

S

L

Q

A

A

F

F

F
|
F

K
x
T

L

L

S
|
S

I

L

G

G

M
|
M

G

G

T

A

M

L

T

I

T

T

Y

Y

G

G

S

S

Y

Y

F

V

R

S

D

K

D

D

Q

S

N

R

I

L

P

P

V

G

T

A

A

A

A

V

R

S

V

V

M

A

L

G

C

L

D
|
D

L

T

S

A

I

F

S

A

I

I

L

I

A

A

G

G

V

I

A

M

I

I

F

F

P

P

A

A

V

V

F

F

N

A

F

L

G

G

F

L

E

S

P

P

S

S

A

G

G

G

P

P

S

G

L

L

L

V

F

F

M

V

T

V

I

L

P

P

A

D

V

I

F

F

A

D

S

S

M

I

P

R

G

L

G

G

Q

P

L

I

F

V

T

G

V

I

I

A

F

F

F

F

C

I

L

L

T

L

A

G

I

A

A
|
A

A

A

T

L

G
x
S

A
x
S

M

A

L

V

S
|
S

L
|
L

F

L

E

E

V

V

P

P

V

V

A

A

W

Y

L

F

V

M

E

R

E

K

F

F

K

D

M

W

S

S

R

R

A

K

K

Q

A

A

T

A

I

I

G

T

T

L

A

G

L

V

V

I

L

I

G

T

V

L

M

L

G

G

A

I

P

P

A

S

T

S

L

L

S

S

M

F

S

G

V

V

L

L

G

G

D

E

F

V

K

T

M

I

F

I

-

P

G

G

L

L

N

N

M

I

F

F

D

D

L

S

Y

V

D

D

F

F

V

I

S

A

S

S

N

S

I

V

L

F

L

L

P

P

V

L

G

G

G

G

I

M

F

I

I

I

C

A

I

L

F

F

A

I

G

G

W

W

V

G

W

W

G

-

S

-

K

-

R

K

T

T

R

S

E

D

L

A

L

L

S

A

N

E

G

S

G

D

H

L

L

T

D

D

N

S

A

-

A

-

V

-

V

V

S

W

G

G

F

K

L

L

F

W

V

I

-

L

-

S

V

L

K

R

W

F

V

I

S

A

P

P

V

I

L

A

V

I

T

L

I

I

V

V

L

F

L

L

N

S

binding sodium ion: G17 (= G23), A19 (= A25), V20 (= V26), V20 (= V26), G21 (= G27), N24 (= N30), T224 (≠ K230), D256 (= D262), A313 (= A319), S316 (≠ G322), S317 (≠ A323)
binding tryptophan: S18 (= S24), A19 (= A25), L22 (= L28), G23 (= G29), Y101 (= Y108), F223 (= F229), T224 (≠ K230), S226 (= S232), M229 (= M235), S320 (= S326), L321 (= L327)

4us4A Crystal structure of the bacterial nss member mhst in an occluded inward-facing state (lipidic cubic phase form) (see paper)
41% identity, 96% coverage: 16:451/453 of query aligns to 1:433/433 of 4us4A

query
sites
4us4A

G

G

V

F

L

I

A

L

A

A

T

A

L

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

A

Y

L

V

T

T

G

G

Q

E

N

N

G

G

G

G

A

A

T

A

F

F

L

L

L

L

V

V

Y

Y

I

L

I

G

A

F

T

I

L

A

L

L

V

I

G

G

L

I

P

P

V

I

M

V

I

L

S

A

E

E

I

F

M

T

L

I

G

G

R

R

K

R

A

A

K

Q

A

S

N

D

A

A

V

V

R

G

T

S

Y

F

R

E

E

K

L

L

G

A

P

P

K

-

G

G

Q

K

P

P

W

W

S

K

L

V

I

A

G

G

I

L

S

M

G

G

V

V

I

A

A

A

A

G

V

F

L

L

I

I

M

L

G

S

F

F

Y
|
Y

T

G

D

V

V

I

A

A

G

G

W

W

V

I

F

L

A

F

Y

Y

I

L

F

F

K

N

A

Y

M

I

S

T

G

G

S

Q

I

L

A

W

T

S

T

A

D

P

P

A

A

E

V

G

A

F

K

G

E

G

A

F

F

F

V

E

A

G

L

F

V

I

G

A

S

N

P

P

T

T

Q

L

S

P

L

L

M

F

W

W

Q

Q

W

A

I

L

V

F

L

M

A

I

L

A

V

T

S

I

A

W

I

I

I

V

L

A

G

I

G

G

V

V

S

K

S

K

G

G

I

I

E

E

R

R

T

S

T

N

K

K

I

I

L

L

M

M

P

P

V

L

L

L

L

G

L

V

L

L

L

L

C

I

V
x
A

V

L

C

A

A

I

R

Y

S

S

L

L

T
|
T

L

L

P

G

K

G

A

A

A

K

E

E

G

G

L

L

A

A

F

F

L

L

F

F

T

S

P

P

D

D

F

W

S

S

K

A

I

L

T

K

G

D

-

P

G

G

V

V

I

Y

L

L

M

A

A

A

L

I

G

S

L

Q

A

A

F

F

F
|
F

K
x
T

L

L

S
|
S

I

L

G

G

M
|
M

G

G

T

A

M

L

T

I

T

T

Y

Y

G

G

S

S

Y

Y

F

V

R

S

D

K

D

D

Q

S

N

R

I

L

P

P

V

G

T

A

A

A

A

V

R

S

V

V

M

A

L

G

C

L

D
|
D

L

T

S

A

I

F

S

A

I

I

L

I

A

A

G

G

V

I

A

M

I

I

F

F

P

P

A

A

V

V

F

F

N

A

F

L

G

G

F

L

E

S

P

P

S

S

A

G

G

G

P

P

S

G

L

L

L

V

F

F

M

V

T

V

I

L

P

P

A

D

V

I

F

F

A

D

S

S

M
x
I

P
x
R

G
x
L

G

G

Q

P

L

I

F

V

T

G

V

I

I

A

F

F

F

F

C

I

L

L

T

L

A

G

I

A

A
|
A

A

A

T

L

G
x
S

A
x
S

M

A

L

V

S

S

L
|
L

F

L

E

E

V

V

P

P

V

V

A

A

W

Y

L

F

V

M

E

R

E

K

F

F

K

D

M

W

S

S

R

R

A

K

K

Q

A

A

T

A

I

I

G

T

T

L

A

G

L

V

V

I

L

I

G

T

V

L

M

L

G

G

A

I

P

P

A

S

T

S

L

L

S

S

M

F

S

G

V

V

L

L

G

G

D

E

F

V

K

T

M

I

F

I

-

P

G

G

L

L

N

N

M

I

F

F

D

D

L

S

Y

V

D

D

F

F

V

I

S

A

S

S

N

S

I

V

L

F

L

L

P

P

V

L

G

G

G

G

I

M

F

I

I

I

C

A

I

L

F

F

A

I

G

G

W

W

V

G

W

W

G

-

S

-

K

-

R

K

T

T

R

S

E

D

L

A

L

L

S

A

N

E

G

S

G

D

H

L

L

T

D

D

N

S

A

-

A

-

V

-

V

V

S

W

G

G

F

K

L

L

F

W

V

I

-

L

-

S

V

L

K

R

W

F

V

I

S

A

P

P

V

I

L

A

V

I

T

L

I

I

V

V

L

F

L

L

N

S

G

A

L

F

K

Q

binding (2s)-2,3-dihydroxypropyl(7z)-pentadec-7-enoate: A173 (≠ V189), T180 (= T196), I287 (≠ M302), R288 (≠ P303), L289 (≠ G304)
binding sodium ion: G8 (= G23), S9 (= S24), A10 (= A25), V11 (= V26), V11 (= V26), N15 (= N30), T215 (≠ K230), D247 (= D262), A304 (= A319), S307 (≠ G322), S308 (≠ A323)
binding tryptophan: S9 (= S24), A10 (= A25), G12 (= G27), G14 (= G29), Y92 (= Y108), F214 (= F229), T215 (≠ K230), S217 (= S232), M220 (= M235), L312 (= L327)

3f3aA Crystal structure of leut bound to l-tryptophan and sodium (see paper)
30% identity, 97% coverage: 8:447/453 of query aligns to 1:458/504 of 3f3aA

query
sites
3f3aA

R

R

D

E

G

H

F

W

A

A

T

T

R
|
R

L

L

G

G

V

L

L

I

A

L

A

A

T

M

L

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

A

V

L

Q

T

A

G

A

Q

E

N

N

G

G

G

G

A

G

T

A

F

F

L

M

L

I

V

P

Y

Y

I

I

I

I

A

A

T

F

L

L

L

L

V

V

G

G

L

I

P

P

V

L

M

M

I

W

S

I

E

E

I

W

M

A

L

M

G

G

R

R

K

Y

A

G

K

G

A

A

N

Q

A

G

V

H

R

G

T

T

-

T

-

P

-

A

-

I

-

F

-

Y

-

L

-

L

Y

W

R

R

E

N

L

R

G

F

P

A

K

K

G

-

Q

-

P

-

W

-

S

-

L

I

I

L

G

G

I

V

S

F

G

G

V

L

I

W

A

I

A

P

V

L

L

V

I

V

M

A

G

I

F

Y

Y
|
Y

T

V

D

Y

V

I

A

E

G

S

W

W

V

T

F

L

A

G

Y

F

I

A

F

I

K

K

A

F

M

L

S

V

G

G

S

L

I

V

A

P

T

E

-

P

-

P

T

T

D

D

P

P

A

D

V

S

A

I

-

L

-

R

-

P

-

F

K

K

E

E

A

F

F

L

V

Y

A

S

L

Y

V

I

G

G

S

V

P

P

T

K

-

G

-

D

-

E

-

P

-

I

-

L

Q

K

S

P

L

S

M

L

W

F

Q

A

W

Y

I

I

V

V

L

F

A

L

L

I

V

T

S

M

-

F

-

I

-

N

-

V

A

S

I

I

I

L

L

I

G

R

G

G

V

I

S

S

S

K

G

G

I

I

E

E

R

R

T

F

T

A

K

K

I

I

L

A

M

M

P

P

V

T

L

L

L

F

L

I

L

L

L

A

C

V

V

F

V

L

C

V

A

I

R

R

S

V

L

F

T

L

L

L

P

E

-

T

-

P

-

N

-

G

K

T

A

A

A

A

E

D

G

G

L

L

A

N

F

F

L

L

F

W

T

T

P

P

D

D

F

F

S

E

K

K

I

L

T

K

G

D

-

P

G

G

V

V

I

W

L

I

M

A

A

A

L

V

G
|
G

L

Q

A

I

F

F

F
|
F

K
x
T

L

L

S
|
S

I

L

G

G

M
x
F

G

G

T

A

M

I

T

I

T

T

Y

Y

G

A

S

S

Y

Y

F

V

R

R

D

K

D
|
D

Q
|
Q

N
x
D

I

I

P

V

V

L

T

S

-

G

-

L

-

T

-

A

-

A

-

T

-

L

-
x
N

-

E

A

K

A

A

R

E

V

V

M

I

L

L

C

G

D

G

L

-

S

S

I

I

S

S

I

I

L

P

A

A

G

A

V

V

A

A

I

F

F
|
F

P

G

A

V

V

A

F
x
N

N

A

F

V

G
x
A

F
x
I

E

A

P

K

S
x
A

A

G

G

A

P

F

S
x
N

L

L

L

G

F

F

M

I

T

T

I

L

P

P

A

A

V

I

F

F

A

S

S

Q

M

T

P

A

G

G

G

G

Q

T

L

F

F

L

T

G

V

F

I

L

F

W

F

F

C

F

L

L

T

L

A

F

I

F

A
|
A

A

G

T

L

G
x
T

A
x
S

M

S

L

I

S

A

L
x
I

F

M

E

Q

V

P

P

M

V

I

A

A

W

F

L

L

V

E

E

D

E

E

F

L

K

K

M

L

S

S

R

R

A

K

K

H

A

A

T

V

I

L

G

W

T

T

A

A

L

A

V

I

L

V

G

-

V

-

M

-

G

-

A

-

P

-

A

-

T

F

L

F

S

S

M

A

S

H

V

L

L

V

G

-

D

-

F

-

K

-

M

M

F

F

G

L

L

N

N

K

M

S

F

L

D

D

L

E

Y

M

D
|
D

F

F

V

W

S

A

S
x
G

N
x
T

I

I

L

G

L

V

P

V

V

F

G

F

G

G

I

L

F

T

I

E

C

L

I

I

F

I

A

F

G

F

W

W

V

I

W

F

G

G

S

A

K

D

R

K

T

A

R

W

E

E

L

E

L

I

S

N

N

R

G
|
G

G

G

H

I

L

I

D

K

N

V

A

P

A

R

V

I

V

-

S

-

G

-

F

Y

L

Y

F

Y

V

V

V

M

K

R

W

Y

V

I

S

T

P

P

V

A

L

F

V

L

T

A

I

V

V

L

L

L

L

V

binding sodium ion: G16 (= G23), N17 (≠ S24), A18 (= A25), V19 (= V26), V19 (= V26), G20 (= G27), N23 (= N30), T247 (≠ K230), N279 (vs. gap), A344 (= A319), T347 (≠ G322), S348 (≠ A323)
binding tryptophan: R7 (= R14), A18 (= A25), G20 (= G27), L21 (= L28), G22 (= G29), R26 (≠ K33), Y104 (= Y108), G242 (= G225), F246 (= F229), F246 (= F229), T247 (≠ K230), S249 (= S232), F252 (≠ M235), D265 (= D248), Q266 (= Q249), D267 (≠ N250), F299 (= F274), N303 (≠ F278), A306 (≠ G281), I307 (≠ F282), A310 (≠ S285), N314 (≠ S289), S348 (≠ A323), I352 (≠ L327), D397 (= D383), G401 (≠ S387), T402 (≠ N388), G432 (= G418)

3uslA Crystal structure of leut bound to l-selenomethionine in space group c2 from lipid bicelles (see paper)
30% identity, 97% coverage: 8:447/453 of query aligns to 1:458/502 of 3uslA

query
sites
3uslA

R

R

D

E

G

H

F

W

A

A

T

T

R

R

L

L

G

G

V

L

L

I

A

L

A

A

T

M

L

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

A

V

L

Q

T

A

G

A

Q

E

N

N

G

G

G

G

A

G

T

A

F

F

L

M

L

I

V

P

Y

Y

I

I

I

I

A

A

T

F

L

L

L

L

V

V

G

G

L

I

P

P

V

L

M

M

I

W

S

I

E

E

I

W

M

A

L

M

G

G

R

R

K

Y

A

G

K

G

A

A

N

Q

A

G

V

H

R

G

T

T

-

T

-

P

-

A

-

I

-

F

-

Y

-

L

-

L

Y

W

R

R

E
x
N

L
x
R

G
x
F

P

A

K

K

G

-

Q

-

P

-

W

-

S

-

L

I

I

L

G

G

I

V

S

F

G

G

V

L

I

W

A

I

A

P

V

L

L

V

I

V

M

A

G

I

F

Y

Y
|
Y

T

V

D

Y

V

I

A

E

G

S

W

W

V

T

F

L

A

G

Y

F

I

A

F

I

K

K

A

F

M

L

S

V

G

G

S

L

I

V

A

P

T

E

-

P

-

P

T

T

D

D

P

P

A

D

V

S

A

I

-

L

-

R

-

P

-

F

K

K

E

E

A

F

F

L

V

Y

A

S

L

Y

V

I

G

G

S

V

P

P

T

K

-

G

-

D

-

E

-

P

-

I

-

L

Q

K

S

P

L

S

M

L

W

F

Q

A

W

Y

I

I

V

V

L

F

A

L

L

I

V

T

S

M

-

F

-

I

-

N

-

V

A

S

I

I

I

L

L

I

G

R

G

G

V

I

S

S

S

K

G

G

I

I

E

E

R

R

T

F

T

A

K

K

I

I

L

A

M

M

P

P

V

T

L

L

L

F

L

I

L

L

L

A

C

V

V

F

V

L

C

V

A

I

R

R

S

V

L

F

T

L

L

L

P

E

-

T

-

P

-

N

-

G

K

T

A

A

A

A

E

D

G

G

L

L

A

N

F

F

L

L

F

W

T

T

P

P

D

D

F

F

S

E

K

K

I

L

T

K

G

D

-

P

G

G

V

V

I

W

L

I

M

A

A

A

L

V

G

G

L

Q

A

I

F

F

F
|
F

K
x
T

L

L

S
|
S

I

L

G

G

M

F

G

G

T

A

M

I

T

I

T

T

Y

Y

G

A

S

S

Y

Y

F

V

R

R

D

K

D

D

Q

Q

N

D

I

I

P

V

V

L

T

S

-

G

-

L

-

T

-

A

-

A

-

T

-

L

-
x
N

-

E

A

K

A

A

R

E

V

V

M

I

L

L

C

G

D

G

L

-

S

S

I

I

S

S

I

I

L

P

A

A

G

A

V

V

A

A

I

F

F

F

P

G

A

V

V

A

F

N

N

A

F

V

G

A

F

I

E

A

P

K

S

A

A

G

G

A

P

F

S

N

L

L

L

G

F

F

M

I

T

T

I

L

P

P

A

A

V

I

F

F

A

S

S

Q

M

T

P

A

G

G

G

G

Q

T

L

F

F

L

T

G

V

F

I

L

F

W

F

F

C

F

L

L

T

L

A

F

I

F

A
|
A

A

G

T

L

G
x
T

A
x
S

M

S

L

I

S

A

L
x
I

F

M

E

Q

V

P

P

M

V

I

A

A

W

F

L

L

V

E

E

D

E

E

F

L

K

K

M

L

S

S

R

R

A

K

K

H

A

A

T

V

I

L

G

W

T

T

A

A

L

A

V

I

L

V

G

-

V

-

M

-

G

-

A

-

P

-

A

-

T

F

L

F

S

S

M

A

S

H

V

L

L

V

G

-

D

-

F

-

K

-

M

M

F

F

G

L

L

N

N

K

M

S

F

L

D

D

L

E

Y

M

D

D

F

F

V

W

S

A

S

G

N

T

I

I

L

G

L

V

P

V

V

F

G

F

G

G

I

L

F

T

I

E

C

L

I

I

F

I

A

F

G

F

W

W

V

I

W

F

G

G

S

A

K

D

R

K

T

A

R

W

E

E

L

E

L

I

S

N

N

R

G

G

G

G

H

I

L

I

D

K

N

V

A

P

A

R

V

I

V

-

S

-

G

-

F

Y

L

Y

F

Y

V

V

V

M

K

R

W

Y

V

I

S

T

P

P

V

A

L

F

V

L

T

A

I

V

V

L

L

L

L

V

binding selenomethionine: A18 (= A25), G20 (= G27), G22 (= G29), Y104 (= Y108), F246 (= F229), T247 (≠ K230), S249 (= S232), S348 (≠ A323), I352 (≠ L327)
binding sodium ion: G16 (= G23), N17 (≠ S24), A18 (= A25), V19 (= V26), V19 (= V26), G20 (= G27), N23 (= N30), T247 (≠ K230), N279 (vs. gap), A344 (= A319), T347 (≠ G322), S348 (≠ A323)
binding phosphocholine: N83 (≠ E82), R84 (≠ L83), F85 (≠ G84)

3usgA Crystal structure of leut bound to l-leucine in space group c2 from lipid bicelles (see paper)
30% identity, 97% coverage: 8:447/453 of query aligns to 1:458/502 of 3usgA

query
sites
3usgA

R

R

D

E

G

H

F

W

A

A

T

T

R

R

L

L

G

G

V

L

L

I

A

L

A

A

T

M

L

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

A

V

L

Q

T

A

G

A

Q

E

N

N

G

G

G

G

A

G

T

A

F

F

L

M

L

I

V

P

Y

Y

I

I

I

I

A

A

T

F

L

L

L

L

V

V

G

G

L

I

P

P

V

L

M

M

I

W

S

I

E

E

I

W

M

A

L

M

G

G

R

R

K

Y

A

G

K

G

A

A

N

Q

A

G

V

H

R

G

T

T

-

T

-

P

-

A

-

I

-

F

-

Y

-

L

-

L

Y

W

R

R

E
x
N

L
x
R

G

F

P

A

K

K

G

-

Q

-

P

-

W

-

S

-

L

I

I

L

G

G

I

V

S

F

G

G

V

L

I

W

A

I

A

P

V

L

L

V

I

V

M

A

G

I

F

Y

Y

Y

T

V

D

Y

V

I

A

E

G

S

W

W

V

T

F

L

A

G

Y

F

I

A

F

I

K

K

A

F

M

L

S

V

G

G

S

L

I

V

A

P

T

E

-

P

-

P

T

T

D

D

P

P

A

D

V

S

A

I

-

L

-

R

-

P

-

F

K

K

E

E

A

F

F

L

V

Y

A

S

L

Y

V

I

G

G

S

V

P

P

T

K

-

G

-

D

-

E

-

P

-

I

-

L

Q

K

S

P

L

S

M

L

W

F

Q

A

W

Y

I

I

V

V

L

F

A

L

L

I

V

T

S

M

-

F

-

I

-

N

-

V

A

S

I

I

I

L

L

I

G

R

G

G

V

I

S

S

S

K

G

G

I

I

E

E

R

R

T

F

T

A

K

K

I

I

L

A

M

M

P

P

V

T

L

L

L

F

L

I

L

L

L

A

C

V

V

F

V

L

C

V

A

I

R

R

S

V

L

F

T

L

L

L

P

E

-

T

-

P

-

N

-

G

K

T

A

A

A

A

E

D

G

G

L

L

A

N

F

F

L

L

F

W

T

T

P

P

D

D

F

F

S

E

K

K

I

L

T

K

G

D

-

P

G

G

V

V

I

W

L

I

M

A

A

A

L

V

G

G

L

Q

A

I

F

F

F
|
F

K
x
T

L

L

S
|
S

I

L

G

G

M
x
F

G

G

T

A

M

I

T

I

T

T

Y

Y

G

A

S

S

Y

Y

F

V

R

R

D

K

D

D

Q

Q

N

D

I

I

P

V

V

L

T

S

-

G

-

L

-

T

-

A

-

A

-

T

-

L

-
x
N

-

E

A

K

A

A

R

E

V

V

M

I

L

L

C

G

D

G

L

-

S

S

I

I

S

S

I

I

L

P

A

A

G

A

V

V

A

A

I

F

F

F

P

G

A

V

V

A

F

N

N

A

F

V

G

A

F

I

E

A

P

K

S

A

A

G

G

A

P

F

S

N

L

L

L

G

F

F

M

I

T

T

I

L

P

P

A

A

V

I

F

F

A

S

S

Q

M

T

P

A

G

G

G

G

Q

T

L

F

F

L

T

G

V

F

I

L

F

W

F

F

C

F

L

L

T

L

A

F

I

F

A
|
A

A

G

T

L

G
x
T

A
x
S

M

S

L

I

S

A

L

I

F

M

E

Q

V

P

P

M

V

I

A

A

W

F

L

L

V

E

E

D

E

E

F

L

K

K

M

L

S

S

R

R

A

K

K

H

A

A

T

V

I

L

G

W

T

T

A

A

L

A

V

I

L

V

G

-

V

-

M

-

G

-

A

-

P

-

A

-

T

F

L

F

S

S

M

A

S

H

V

L

L

V

G

-

D

-

F

-

K

-

M

M

F

F

G

L

L

N

N

K

M

S

F

L

D

D

L

E

Y

M

D

D

F

F

V

W

S

A

S

G

N

T

I

I

L

G

L

V

P

V

V

F

G

F

G

G

I

L

F

T

I

E

C

L

I

I

F

I

A

F

G

F

W

W

V

I

W

F

G

G

S

A

K

D

R

K

T

A

R

W

E

E

L

E

L

I

S

N

N

R

G

G

G

G

H

I

L

I

D

K

N

V

A

P

A

R

V

I

V

-

S

-

G

-

F

Y

L

Y

F

Y

V

V

V

M

K

R

W

Y

V

I

S

T

P

P

V

A

L

F

V

L

T

A

I

V

V

L

L

L

L

V

binding leucine: A18 (= A25), G20 (= G27), G22 (= G29), F246 (= F229), T247 (≠ K230), S249 (= S232), F252 (≠ M235)
binding sodium ion: G16 (= G23), N17 (≠ S24), A18 (= A25), V19 (= V26), V19 (= V26), G20 (= G27), N23 (= N30), T247 (≠ K230), N279 (vs. gap), A344 (= A319), T347 (≠ G322), S348 (≠ A323)
binding phosphocholine: N83 (≠ E82), R84 (≠ L83)

3mpnA F177r1 mutant of leut (see paper)
30% identity, 97% coverage: 8:447/453 of query aligns to 1:459/505 of 3mpnA

query
sites
3mpnA

R

R

D

E

G

H

F

W

A

A

T

T

R

R

L

L

G

G

V

L

L

I

A

L

A

A

T

M

L

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

A

V

L

Q

T

A

G

A

Q

E

N

N

G

G

G

G

A

G

T

A

F

F

L

M

L

I

V

P

Y

Y

I

I

I

I

A

A

T

F

L

L

L

L

V

V

G

G

L

I

P

P

V

L

M

M

I

W

S

I

E

E

I

W

M

A

L

M

G

G

R

R

K

Y

A

G

K

G

A

A

N

Q

A

G

V

H

R

G

T

T

-

T

-

P

-

A

-

I

-

F

-

Y

-

L

-

L

Y

W

R

R

E

N

L

R

G

F

P

A

K

K

G

-

Q

-

P

-

W

-

S

-

L

I

I

L

G

G

I

V

S

F

G

G

V

L

I

W

A

I

A

P

V

L

L

V

I

V

M

A

G

I

F

Y

Y
|
Y

T

V

D

Y

V

I

A

E

G

S

W

W

V

T

F

L

A

G

Y

F

I

A

F

I

K

K

A

F

M

L

S

V

G

G

S

L

I

V

A

P

T

E

-

P

-

P

-

P

T

T

D

D

P

P

A

D

V

S

A

I

-

L

-

R

-

P

-

F

K

K

E

E

A

F

F

L

V

Y

A

S

L

Y

V

I

G

G

S

V

P

P

T

K

-

G

-

D

-

E

-

P

-

I

-

L

Q

K

S

P

L

S

M

L

W

F

Q

A

W

Y

I

I

V

V

-

F

-

L

-

I

-

T

L

M

A
x
C

L

I

V

N

S

V

A

S

I

I

I

L

L

I

G

R

G

G

V

I

S

S

S

K

G

G

I

I

E

E

R

R

T

F

T

A

K

K

I

I

L

A

M

M

P

P

V

T

L

L

L

F

L

I

L

L

L

A

C

V

V

F

V

L

C

V

A

I

R

R

S

V

L

F

T

L

L

L

P

E

-

T

-

P

-

N

-

G

K

T

A

A

A

A

E

D

G

G

L

L

A

N

F

F

L

L

F

W

T

T

P

P

D

D

F

F

S

E

K

K

I

L

T

K

G

D

-

P

G

G

V

V

I

W

L

I

M

A

A

A

L

V

G

G

L

Q

A

I

F

F

F
|
F

K
x
T

L

L

S
|
S

I

L

G

G

M
x
F

G

G

T

A

M

I

T

I

T

T

Y

Y

G

A

S

S

Y

Y

F

V

R

R

D

K

D

D

Q

Q

N

D

I

I

P

V

V

L

T

S

-

G

-

L

-

T

-

A

-

A

-

T

-

L

-

N

-

E

A

K

A

A

R

E

V

V

M

I

L

L

C

G

D

G

L

-

S

S

I

I

S

S

I

I

L

P

A

A

G

A

V

V

A

A

I

F

F

F

P

G

A

V

V

A

F

N

N

A

F

V

G

A

F

I

E

A

P

K

S

A

A

G

G

A

P

F

S

N

L

L

L

G

F

F

M

I

T

T

I

L

P

P

A

A

V

I

F

F

A

S

S

Q

M

T

P

A

G

G

G

G

Q

T

L

F

F

L

T

G

V

F

I

L

F

W

F

F

C

F

L

L

T

L

A

F

I

F

A

A

A

G

T

L

G

T

A
x
S

M

S

L

I

S

A

L

I

F

M

E

Q

V

P

P

M

V

I

A

A

W

F

L

L

V

E

E

D

E

E

F

L

K

K

M

L

S

S

R

R

A

K

K

H

A

A

T

V

I

L

G

W

T

T

A
|
A

L

A

V

I

L

V

G

-

V

-

M

-

G

-

A

-

P

-

A

-

T

F

L

F

S

S

M

A

S

H

V

L

L

V

G

-

D

-

F

-

K

-

M

M

F

F

G

L

L

N

N

K

M

S

F

L

D

D

L

E

Y

M

D

D

F

F

V

W

S

A

S

G

N

T

I

I

L

G

L

V

P

V

V

F

G

F

G

G

I

L

F

T

I

E

C

L

I

I

F

I

A

F

G

F

W

W

V

I

W

F

G

G

S

A

K

D

R

K

T

A

R

W

E

E

L

E

L

I

S

N

N

R

G

G

G

G

H

I

L

I

D

K

N

V

A

P

A

R

V

I

V

-

S

-

G

-

F

Y

L

Y

F

Y

V

V

V

M

K

R

W

Y

V

I

S

T

P

P

V

A

L

F

V

L

T

A

I

V

V

L

L

L

L

V

binding leucine: N17 (≠ S24), A18 (= A25), G20 (= G27), L21 (= L28), G22 (= G29), Y104 (= Y108), F247 (= F229), T248 (≠ K230), S250 (= S232), F253 (≠ M235), S349 (≠ A323)
binding S-[(1-oxyl-2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)methyl] methanesulfonothioate: C171 (≠ A158), A377 (= A351)

3gwvA Leucine transporter leut in complex with r-fluoxetine (see paper)
30% identity, 97% coverage: 8:447/453 of query aligns to 1:459/498 of 3gwvA

query
sites
3gwvA

R

R

D

E

G

H

F

W

A

A

T

T

R

R

L

L

G

G

V

L

L

I

A

L

A

A

T

M

L

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

A

V

L

Q

T

A

G

A

Q

E

N

N

G

G

G

G

A

G

T

A

F

F

L

M

L

I

V

P

Y

Y

I

I

I

I

A

A

T

F

L

L

L

L

V

V

G

G

L

I

P

P

V

L

M

M

I

W

S

I

E

E

I

W

M

A

L

M

G

G

R

R

K

Y

A

G

K

G

A

A

N

Q

A

G

V

H

R

G

T

T

-

T

-

P

-

A

-

I

-

F

-

Y

-

L

-

L

Y

W

R

R

E

N

L

R

G

F

P

A

K

K

G

-

Q

-

P

-

W

-

S

-

L

I

I

L

G

G

I

V

S

F

G

G

V

L

I

W

A

I

A

P

V

L

L

V

I

V

M

A

G

I

F

Y

Y
|
Y

T

V

D

Y

V

I

A

E

G

S

W

W

V

T

F

L

A

G

Y

F

I

A

F

I

K

K

A

F

M

L

S

V

G

G

S

L

I

V

A

P

T

E

-

P

-

P

-

P

T

T

D

D

P

P

A

D

V

S

A

I

-

L

-

R

-

P

-

F

K

K

E

E

A

F

F

L

V

Y

A

S

L

Y

V

I

G

G

S

V

P

P

T

K

-

G

-

D

-

E

-

P

-

I

-

L

Q

K

S

P

L

S

M

L

W

F

Q

A

W

Y

I

I

V

V

L

F

A

L

L

I

V

T

S

M

-

F

-

I

-

N

-

V

A

S

I

I

I

L

L

I

G

R

G

G

V

I

S

S

S

K

G

G

I

I

E

E

R

R

T

F

T

A

K

K

I

I

L

A

M

M

P

P

V

T

L

L

L

F

L

I

L

L

L

A

C

V

V

F

V

L

C

V

A

I

R

R

S

V

L

F

T

L

L

L

P

E

-

T

-

P

-

N

-

G

K

T

A

A

A

A

E

D

G

G

L

L

A

N

F

F

L

L

F

W

T

T

P

P

D

D

F

F

S

E

K

K

I

L

T

K

G

D

-

P

G

G

V

V

I

W

L

I

M

A

A

A

L

V

G

G

L

Q

A

I

F

F

F
|
F

K
x
T

L

L

S
|
S

I

L

G

G

M
x
F

G

G

T

A

M

I

T

I

T

T

Y

Y

G

A

S

S

Y

Y

F

V

R

R

D

K

D

D

Q

Q

N

D

I

I

P

V

V

L

T

S

-

G

-

L

-

T

-

A

-

A

-

T

-

L

-

N

-

E

A

K

A

A

R

E

V

V

M

I

L

L

C

G

D

G

L

-

S

S

I

I

S

S

I

I

L

P

A

A

G

A

V

V

A

A

I

F

F

F

P

G

A

V

V

A

F

N

N

A

F

V

G

A

F

I

E

A

P

K

S

A

A

G

G
x
A

P
x
F

S

N

L

L

L

G

F

F

M

I

T

T

I

L

P

P

A

A

V

I

F

F

A

S

S

Q

M

T

P

A

G

G

G

G

Q

T

L

F

F

L

T

G

V

F

I

L

F

W

F

F

C

F

L

L

T

L

A

F

I

F

A

A

A

G

T

L

G

T

A

S

M

S

L

I

S

A

L

I

F

M

E

Q

V

P

P

M

V

I

A

A

W

F

L

L

V

E

E

D

E

E

F

L

K

K

M

L

S

S

R

R

A

K

K

H

A

A

T

V

I

L

G

W

T

T

A

A

L

A

V

I

L

V

G

-

V

-

M

-

G

-

A

-

P

-

A

-

T

F

L

F

S

S

M

A

S

H

V

L

L

V

G

-

D

-

F

-

K

-

M

M

F

F

G

L

L

N

N

K

M

S

F
x
L

D
|
D

L

E

Y

M

D
|
D

F

F

V

W

S

A

S

G

N

T

I

I

L

G

L

V

P

V

V

F

G

F

G

G

I

L

F

T

I

E

C

L

I

I

F

I

A

F

G

F

W

W

V

I

W

F

G

G

S

A

K

D

R

K

T

A

R

W

E

E

L

E

L

I

S

N

N

R

G

G

G

G

H

I

L

I

D

K

N

V

A

P

A

R

V

I

V

-

S

-

G

-

F

Y

L

Y

F

Y

V

V

V

M

K

R

W

Y

V

I

S

T

P

P

V

A

L

F

V

L

T

A

I

V

V

L

L

L

L

V

binding leucine: A18 (= A25), G20 (= G27), G22 (= G29), Y104 (= Y108), F247 (= F229), T248 (≠ K230), S250 (= S232), F253 (≠ M235)
binding (3R)-N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy]propan-1-amine: L21 (= L28), R26 (≠ K33), A313 (≠ G287), F314 (≠ P288), L394 (≠ F379), D395 (= D380), D398 (= D383)

3gwuA Leucine transporter leut in complex with sertraline (see paper)
30% identity, 97% coverage: 8:447/453 of query aligns to 1:459/509 of 3gwuA

query
sites
3gwuA

R

R

D

E

G

H

F

W

A

A

T

T

R

R

L

L

G

G

V

L

L

I

A

L

A

A

T

M

L

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

A

V

L

Q

T

A

G

A

Q

E

N

N

G

G

G

G

A

G

T

A

F

F

L

M

L

I

V

P

Y

Y

I

I

I

I

A

A

T

F

L

L

L

L

V

V

G

G

L

I

P

P

V

L

M

M

I

W

S

I

E

E

I

W

M

A

L

M

G

G

R

R

K

Y

A

G

K

G

A

A

N

Q

A

G

V

H

R

G

T

T

-

T

-

P

-

A

-

I

-

F

-

Y

-

L

-

L

Y

W

R

R

E

N

L

R

G

F

P

A

K

K

G

-

Q

-

P

-

W

-

S

-

L

I

I

L

G

G

I

V

S

F

G

G

V

L

I

W

A

I

A

P

V

L

L

V

I

V

M

A

G

I

F

Y

Y
|
Y

T

V

D

Y

V

I

A

E

G

S

W

W

V

T

F

L

A

G

Y

F

I

A

F

I

K

K

A

F

M

L

S

V

G

G

S

L

I

V

A

P

T

E

-

P

-

P

-

P

T

T

D

D

P

P

A

D

V

S

A

I

-

L

-

R

-

P

-

F

K

K

E

E

A

F

F

L

V

Y

A

S

L

Y

V

I

G

G

S

V

P

P

T

K

-

G

-

D

-

E

-

P

-

I

-

L

Q

K

S

P

L

S

M

L

W

F

Q

A

W

Y

I

I

V

V

L

F

A

L

L

I

V

T

S

M

-

F

-

I

-

N

-

V

A

S

I

I

I

L

L

I

G

R

G

G

V

I

S

S

S

K

G

G

I

I

E

E

R

R

T

F

T

A

K

K

I

I

L

A

M

M

P

P

V

T

L

L

L

F

L

I

L

L

L

A

C

V

V

F

V

L

C

V

A

I

R

R

S

V

L

F

T

L

L

L

P

E

-

T

-

P

-

N

-

G

K

T

A

A

A

A

E

D

G

G

L

L

A

N

F

F

L

L

F

W

T

T

P

P

D

D

F

F

S

E

K

K

I

L

T

K

G

D

-

P

G

G

V

V

I

W

L

I

M

A

A

A

L

V

G

G

L

Q

A

I

F

F

F
|
F

K
x
T

L

L

S
|
S

I

L

G

G

M
x
F

G

G

T

A

M

I

T

I

T

T

Y

Y

G

A

S

S

Y

Y

F

V

R

R

D

K

D

D

Q

Q

N

D

I

I

P

V

V

L

T

S

-

G

-

L

-

T

-

A

-

A

-

T

-

L

-

N

-

E

A

K

A

A

R

E

V

V

M

I

L

L

C

G

D

G

L

-

S

S

I

I

S

S

I

I

L

P

A

A

G

A

V

V

A

A

I

F

F

F

P

G

A

V

V

A

F

N

N

A

F

V

G

A

F

I

E

A

P

K

S

A

A

G

G
x
A

P

F

S

N

L

L

L

G

F

F

M

I

T

T

I

L

P

P

A

A

V

I

F

F

A

S

S

Q

M

T

P

A

G

G

G

G

Q

T

L

F

F

L

T

G

V

F

I

L

F

W

F

F

C

F

L

L

T

L

A

F

I

F

A

A

A

G

T

L

G

T

A

S

M

S

L

I

S

A

L

I

F

M

E

Q

V

P

P

M

V

I

A

A

W

F

L

L

V

E

E

D

E

E

F

L

K

K

M

L

S

S

R

R

A

K

K

H

A

A

T

V

I

L

G

W

T

T

A

A

L

A

V

I

L

V

G

-

V

-

M

-

G

-

A

-

P

-

A

-

T

F

L

F

S

S

M

A

S

H

V

L

L

V

G

-

D

-

F

-

K

-

M

M

F

F

G

L

L

N

N

K

M

S

F

L

D
|
D

L

E

Y

M

D
|
D

F

F

V

W

S

A

S

G

N

T

I

I

L

G

L

V

P

V

V

F

G

F

G

G

I

L

F

T

I

E

C

L

I

I

F

I

A

F

G

F

W

W

V

I

W

F

G

G

S

A

K

D

R

K

T

A

R

W

E

E

L

E

L

I

S

N

N

R

G

G

G

G

H

I

L

I

D

K

N

V

A

P

A

R

V

I

V

-

S

-

G

-

F

Y

L

Y

F

Y

V

V

V

M

K

R

W

Y

V

I

S

T

P

P

V

A

L

F

V

L

T

A

I

V

V

L

L

L

L

V

binding leucine: A18 (= A25), G20 (= G27), G22 (= G29), Y104 (= Y108), F247 (= F229), T248 (≠ K230), S250 (= S232), F253 (≠ M235)
binding (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine: L25 (≠ W32), R26 (≠ K33), Y104 (= Y108), F247 (= F229), A313 (≠ G287), D395 (= D380), D398 (= D383)

3f4jA Crystal structure of leut bound to glycine and sodium (see paper)
30% identity, 97% coverage: 8:447/453 of query aligns to 1:459/509 of 3f4jA

query
sites
3f4jA

R

R

D

E

G

H

F

W

A

A

T

T

R

R

L

L

G

G

V

L

L

I

A

L

A

A

T

M

L

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

A

V

L

Q

T

A

G

A

Q

E

N

N

G

G

G

G

A

G

T

A

F

F

L

M

L

I

V

P

Y

Y

I

I

I

I

A

A

T

F

L

L

L

L

V

V

G

G

L

I

P

P

V

L

M

M

I

W

S

I

E

E

I

W

M

A

L

M

G

G

R

R

K

Y

A

G

K

G

A

A

N

Q

A

G

V

H

R

G

T

T

-

T

-

P

-

A

-

I

-

F

-

Y

-

L

-

L

Y

W

R

R

E

N

L

R

G

F

P

A

K

K

G

-

Q

-

P

-

W

-

S

-

L

I

I

L

G

G

I

V

S

F

G

G

V

L

I

W

A

I

A

P

V

L

L

V

I

V

M

A

G

I

F

Y

Y
|
Y

T

V

D

Y

V

I

A

E

G

S

W

W

V

T

F

L

A

G

Y

F

I

A

F

I

K

K

A

F

M

L

S

V

G

G

S

L

I

V

A

P

T

E

-

P

-

P

-

P

T

T

D

D

P

P

A

D

V

S

A

I

-

L

-

R

-

P

-

F

K

K

E

E

A

F

F

L

V

Y

A

S

L

Y

V

I

G

G

S

V

P

P

T

K

-

G

-

D

-

E

-

P

-

I

-

L

Q

K

S

P

L

S

M

L

W

F

Q

A

W

Y

I

I

V

V

L

F

A

L

L

I

V

T

S

M

-

F

-

I

-

N

-

V

A

S

I

I

I

L

L

I

G

R

G

G

V

I

S

S

S

K

G

G

I

I

E

E

R

R

T

F

T

A

K

K

I

I

L

A

M

M

P

P

V

T

L

L

L

F

L

I

L

L

L

A

C

V

V

F

V

L

C

V

A

I

R

R

S

V

L

F

T

L

L

L

P

E

-

T

-

P

-

N

-

G

K

T

A

A

A

A

E

D

G

G

L

L

A

N

F

F

L

L

F

W

T

T

P

P

D

D

F

F

S

E

K

K

I

L

T

K

G

D

-

P

G

G

V

V

I

W

L

I

M

A

A

A

L

V

G

G

L

Q

A

I

F

F

F
|
F

K
x
T

L

L

S
|
S

I

L

G

G

M

F

G

G

T

A

M

I

T

I

T

T

Y

Y

G

A

S

S

Y

Y

F

V

R

R

D

K

D

D

Q

Q

N

D

I

I

P

V

V

L

T

S

-

G

-

L

-

T

-

A

-

A

-

T

-

L

-
x
N

-

E

A

K

A

A

R

E

V

V

M

I

L

L

C

G

D

G

L

-

S

S

I

I

S

S

I

I

L

P

A

A

G

A

V

V

A

A

I

F

F

F

P

G

A

V

V

A

F

N

N

A

F

V

G

A

F

I

E

A

P

K

S

A

A

G

G

A

P

F

S

N

L

L

L

G

F

F

M

I

T

T

I

L

P

P

A

A

V

I

F

F

A

S

S

Q

M

T

P

A

G

G

G

G

Q

T

L

F

F

L

T

G

V

F

I

L

F

W

F

F

C

F

L

L

T

L

A

F

I

F

A
|
A

A
x
G

T

L

G
x
T

A
x
S

M

S

L

I

S

A

L

I

F

M

E

Q

V

P

P

M

V

I

A

A

W

F

L

L

V

E

E

D

E

E

F

L

K

K

M

L

S

S

R

R

A

K

K

H

A

A

T

V

I

L

G

W

T

T

A

A

L

A

V

I

L

V

G

-

V

-

M

-

G

-

A

-

P

-

A

-

T

F

L

F

S

S

M

A

S

H

V

L

L

V

G

-

D

-

F

-

K

-

M

M

F

F

G

L

L

N

N

K

M

S

F

L

D

D

L

E

Y

M

D

D

F

F

V

W

S

A

S

G

N

T

I

I

L

G

L

V

P

V

V

F

G

F

G

G

I

L

F

T

I

E

C

L

I

I

F

I

A

F

G

F

W

W

V

I

W

F

G

G

S

A

K

D

R

K

T

A

R

W

E

E

L

E

L

I

S

N

N

R

G

G

G

G

H

I

L

I

D

K

N

V

A

P

A

R

V

I

V

-

S

-

G

-

F

Y

L

Y

F

Y

V

V

V

M

K

R

W

Y

V

I

S

T

P

P

V

A

L

F

V

L

T

A

I

V

V

L

L

L

L

V

binding glycine: A18 (= A25), G20 (= G27), G22 (= G29), Y104 (= Y108), F247 (= F229), T248 (≠ K230), S250 (= S232)
binding sodium ion: G16 (= G23), A18 (= A25), V19 (= V26), V19 (= V26), G20 (= G27), G22 (= G29), N23 (= N30), T248 (≠ K230), N280 (vs. gap), A345 (= A319), G346 (≠ A320), T348 (≠ G322), S349 (≠ A323)

3f3dA Crystal structure of leut bound to l-methionine and sodium (see paper)
30% identity, 97% coverage: 8:447/453 of query aligns to 1:459/509 of 3f3dA

query
sites
3f3dA

R

R

D

E

G

H

F

W

A

A

T

T

R

R

L

L

G

G

V

L

L

I

A

L

A

A

T

M

L

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

A

V

L

Q

T

A

G

A

Q

E

N

N

G

G

G

G

A

G

T

A

F

F

L

M

L

I

V

P

Y

Y

I

I

I

I

A

A

T

F

L

L

L

L

V

V

G

G

L

I

P

P

V

L

M

M

I

W

S

I

E

E

I

W

M

A

L

M

G

G

R

R

K

Y

A

G

K

G

A

A

N

Q

A

G

V

H

R

G

T

T

-

T

-

P

-

A

-

I

-

F

-

Y

-

L

-

L

Y

W

R

R

E

N

L

R

G

F

P

A

K

K

G

-

Q

-

P

-

W

-

S

-

L

I

I

L

G

G

I

V

S

F

G

G

V

L

I

W

A

I

A

P

V

L

L

V

I

V

M

A

G

I

F

Y

Y
|
Y

T

V

D

Y

V

I

A

E

G

S

W

W

V

T

F

L

A

G

Y

F

I

A

F

I

K

K

A

F

M

L

S

V

G

G

S

L

I

V

A

P

T

E

-

P

-

P

-

P

T

T

D

D

P

P

A

D

V

S

A

I

-

L

-

R

-

P

-

F

K

K

E

E

A

F

F

L

V

Y

A

S

L

Y

V

I

G

G

S

V

P

P

T

K

-

G

-

D

-

E

-

P

-

I

-

L

Q

K

S

P

L

S

M

L

W

F

Q

A

W

Y

I

I

V

V

L

F

A

L

L

I

V

T

S

M

-

F

-

I

-

N

-

V

A

S

I

I

I

L

L

I

G

R

G

G

V

I

S

S

S

K

G

G

I

I

E

E

R

R

T

F

T

A

K

K

I

I

L

A

M

M

P

P

V

T

L

L

L

F

L

I

L

L

L

A

C

V

V

F

V

L

C

V

A

I

R

R

S

V

L

F

T

L

L

L

P

E

-

T

-

P

-

N

-

G

K

T

A

A

A

A

E

D

G

G

L

L

A

N

F

F

L

L

F

W

T

T

P

P

D

D

F

F

S

E

K

K

I

L

T

K

G

D

-

P

G

G

V

V

I

W

L

I

M

A

A

A

L

V

G

G

L

Q

A

I

F

F

F
|
F

K
x
T

L

L

S
|
S

I

L

G

G

M

F

G

G

T

A

M

I

T

I

T

T

Y

Y

G

A

S

S

Y

Y

F

V

R

R

D

K

D

D

Q

Q

N

D

I

I

P

V

V

L

T

S

-

G

-

L

-

T

-

A

-

A

-

T

-

L

-
x
N

-

E

A

K

A

A

R

E

V

V

M

I

L

L

C

G

D

G

L

-

S

S

I

I

S

S

I

I

L

P

A

A

G

A

V

V

A

A

I

F

F

F

P

G

A

V

V

A

F

N

N

A

F

V

G

A

F

I

E

A

P

K

S

A

A

G

G

A

P

F

S

N

L

L

L

G

F

F

M

I

T

T

I

L

P

P

A

A

V

I

F

F

A

S

S

Q

M

T

P

A

G

G

G

G

Q

T

L

F

F

L

T

G

V

F

I

L

F

W

F

F

C

F

L

L

T

L

A

F

I

F

A
|
A

A

G

T

L

G
x
T

A
x
S

M

S

L

I

S

A

L
x
I

F

M

E

Q

V

P

P

M

V

I

A

A

W

F

L

L

V

E

E

D

E

E

F

L

K

K

M

L

S

S

R

R

A

K

K

H

A

A

T

V

I

L

G

W

T

T

A

A

L

A

V

I

L

V

G

-

V

-

M

-

G

-

A

-

P

-

A

-

T

F

L

F

S

S

M

A

S

H

V

L

L

V

G

-

D

-

F

-

K

-

M

M

F

F

G

L

L

N

N

K

M

S

F

L

D

D

L

E

Y

M

D

D

F

F

V

W

S

A

S

G

N

T

I

I

L

G

L

V

P

V

V

F

G

F

G

G

I

L

F

T

I

E

C

L

I

I

F

I

A

F

G

F

W

W

V

I

W

F

G

G

S

A

K

D

R

K

T

A

R

W

E

E

L

E

L

I

S

N

N

R

G

G

G

G

H

I

L

I

D

K

N

V

A

P

A

R

V

I

V

-

S

-

G

-

F

Y

L

Y

F

Y

V

V

V

M

K

R

W

Y

V

I

S

T

P

P

V

A

L

F

V

L

T

A

I

V

V

L

L

L

L

V

binding methionine: N17 (≠ S24), A18 (= A25), G20 (= G27), G22 (= G29), Y104 (= Y108), F247 (= F229), T248 (≠ K230), S250 (= S232), S349 (≠ A323), I353 (≠ L327)
binding sodium ion: G16 (= G23), A18 (= A25), V19 (= V26), V19 (= V26), G20 (= G27), N23 (= N30), T248 (≠ K230), N280 (vs. gap), A345 (= A319), T348 (≠ G322), S349 (≠ A323)

3f3cA Crystal structure of leut bound to 4-fluoro-l-phenylalanine and sodium (see paper)
30% identity, 97% coverage: 8:447/453 of query aligns to 1:459/509 of 3f3cA

query
sites
3f3cA

R

R

D

E

G

H

F

W

A

A

T

T

R

R

L

L

G

G

V

L

L

I

A

L

A

A

T

M

L

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

A

V

L

Q

T

A

G

A

Q

E

N

N

G

G

G

G

A

G

T

A

F

F

L

M

L

I

V

P

Y

Y

I

I

I

I

A

A

T

F

L

L

L

L

V

V

G

G

L

I

P

P

V

L

M

M

I

W

S

I

E

E

I

W

M

A

L

M

G

G

R

R

K

Y

A

G

K

G

A

A

N

Q

A

G

V

H

R

G

T

T

-

T

-

P

-

A

-

I

-

F

-

Y

-

L

-

L

Y

W

R

R

E

N

L

R

G

F

P

A

K

K

G

-

Q

-

P

-

W

-

S

-

L

I

I

L

G

G

I

V

S

F

G

G

V

L

I

W

A

I

A

P

V

L

L

V

I

V

M

A

G

I

F

Y

Y
|
Y

T

V

D

Y

V

I

A

E

G

S

W

W

V

T

F

L

A

G

Y

F

I

A

F

I

K

K

A

F

M

L

S

V

G

G

S

L

I

V

A

P

T

E

-

P

-

P

-

P

T

T

D

D

P

P

A

D

V

S

A

I

-

L

-

R

-

P

-

F

K

K

E

E

A

F

F

L

V

Y

A

S

L

Y

V

I

G

G

S

V

P

P

T

K

-

G

-

D

-

E

-

P

-

I

-

L

Q

K

S

P

L

S

M

L

W

F

Q

A

W

Y

I

I

V

V

L

F

A

L

L

I

V

T

S

M

-

F

-

I

-

N

-

V

A

S

I

I

I

L

L

I

G

R

G

G

V

I

S

S

S

K

G

G

I

I

E

E

R

R

T

F

T

A

K

K

I

I

L

A

M

M

P

P

V

T

L

L

L

F

L

I

L

L

L

A

C

V

V

F

V

L

C

V

A

I

R

R

S

V

L

F

T

L

L

L

P

E

-

T

-

P

-

N

-

G

K

T

A

A

A

A

E

D

G

G

L

L

A

N

F

F

L

L

F

W

T

T

P

P

D

D

F

F

S

E

K

K

I

L

T

K

G

D

-

P

G

G

V

V

I

W

L

I

M

A

A

A

L

V

G

G

L

Q

A

I

F

F

F
|
F

K
x
T

L

L

S
|
S

I

L

G

G

M
x
F

G

G

T

A

M

I

T

I

T

T

Y

Y

G

A

S

S

Y

Y

F

V

R

R

D

K

D

D

Q

Q

N

D

I

I

P

V

V

L

T

S

-

G

-

L

-

T

-

A

-

A

-

T

-

L

-
x
N

-

E

A

K

A

A

R

E

V

V

M

I

L

L

C

G

D

G

L

-

S

S

I

I

S

S

I

I

L

P

A

A

G

A

V

V

A

A

I

F

F

F

P

G

A

V

V

A

F

N

N

A

F

V

G

A

F

I

E

A

P

K

S

A

A

G

G

A

P

F

S

N

L

L

L

G

F

F

M

I

T

T

I

L

P

P

A

A

V

I

F

F

A

S

S

Q

M

T

P

A

G

G

G

G

Q

T

L

F

F

L

T

G

V

F

I

L

F

W

F

F

C

F

L

L

T

L

A

F

I

F

A
|
A

A

G

T

L

G
x
T

A
x
S

M

S

L

I

S

A

L
x
I

F

M

E

Q

V

P

P

M

V

I

A

A

W

F

L

L

V

E

E

D

E

E

F

L

K

K

M

L

S

S

R

R

A

K

K

H

A

A

T

V

I

L

G

W

T

T

A

A

L

A

V

I

L

V

G

-

V

-

M

-

G

-

A

-

P

-

A

-

T

F

L

F

S

S

M

A

S

H

V

L

L

V

G

-

D

-

F

-

K

-

M

M

F

F

G

L

L

N

N

K

M

S

F

L

D

D

L

E

Y

M

D

D

F

F

V

W

S

A

S

G

N

T

I

I

L

G

L

V

P

V

V

F

G

F

G

G

I

L

F

T

I

E

C

L

I

I

F

I

A

F

G

F

W

W

V

I

W

F

G

G

S

A

K

D

R

K

T

A

R

W

E

E

L

E

L

I

S

N

N

R

G

G

G

G

H

I

L

I

D

K

N

V

A

P

A

R

V

I

V

-

S

-

G

-

F

Y

L

Y

F

Y

V

V

V

M

K

R

W

Y

V

I

S

T

P

P

V

A

L

F

V

L

T

A

I

V

V

L

L

L

L

V

binding sodium ion: G16 (= G23), A18 (= A25), V19 (= V26), V19 (= V26), G20 (= G27), N23 (= N30), T248 (≠ K230), N280 (vs. gap), A345 (= A319), T348 (≠ G322), S349 (≠ A323)
binding 4-fluoro-l-phenylalanine: N17 (≠ S24), A18 (= A25), G20 (= G27), G22 (= G29), Y104 (= Y108), F247 (= F229), T248 (≠ K230), S250 (= S232), F253 (≠ M235), S349 (≠ A323), I353 (≠ L327)

2q6hA Crystal structure analysis of leut complexed with l-leucine, sodium, and clomipramine (see paper)
30% identity, 97% coverage: 8:447/453 of query aligns to 3:461/512 of 2q6hA

query
sites
2q6hA

R

R

D

E

G

H

F

W

A

A

T

T

R

R

L

L

G

G

V

L

L

I

A

L

A

A

T

M

L

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

A

V

L
x
Q

T

A

G

A

Q

E

N

N

G

G

G

G

A

G

T

A

F

F

L

M

L

I

V

P

Y

Y

I

I

I

I

A

A

T

F

L

L

L

L

V

V

G

G

L

I

P

P

V

L

M

M

I

W

S

I

E

E

I

W

M

A

L

M

G

G

R

R

K

Y

A

G

K

G

A

A

N

Q

A

G

V

H

R

G

T

T

-

T

-

P

-

A

-

I

-

F

-

Y

-

L

-

L

Y

W

R

R

E

N

L

R

G

F

P

A

K

K

G

-

Q

-

P

-

W

-

S

-

L

I

I

L

G

G

I

V

S

F

G

G

V

L

I

W

A

I

A

P

V

L

L

V

I

V

M

A

G

I

F

Y

Y
|
Y

T

V

D

Y

V

I

A

E

G

S

W

W

V

T

F

L

A

G

Y

F

I

A

F

I

K

K

A

F

M

L

S

V

G

G

S

L

I

V

A

P

T

E

-

P

-

P

-

P

T

T

D

D

P

P

A

D

V

S

A

I

-

L

-

R

-

P

-

F

K

K

E

E

A

F

F

L

V

Y

A

S

L

Y

V

I

G

G

S

V

P

P

T

K

-

G

-

D

-

E

-

P

-

I

-

L

Q

K

S

P

L

S

M

L

W

F

Q

A

W

Y

I

I

V

V

L

F

A

L

L

I

V

T

S

M

-

F

-

I

-

N

-

V

A

S

I

I

I

L

L

I

G

R

G

G

V

I

S

S

S

K

G

G

I

I

E

E

R
|
R

T
x
F

T

A

K

K

I
|
I

L

A

M

M

P

P

V

T

L

L

L

F

L

I

L

L

L

A

C

V

V

F

V

L

C

V

A

I

R

R

S

V

L

F

T

L

L

L

P

E

-

T

-

P

-

N

-

G

K

T

A

A

A

A

E

D

G

G

L

L

A

N

F

F

L

L

F

W

T

T

P

P

D

D

F

F

S

E

K

K

I

L

T

K

G

D

-

P

G

G

V

V

I

W

L

I

M

A

A

A

L

V

G

G

L

Q

A

I

F

F

F
|
F

K
x
T

L

L

S
|
S

I

L

G

G

M
x
F

G

G

T

A

M

I

T

I

T

T

Y

Y

G

A

S

S

Y

Y

F

V

R

R

D

K

D

D

Q

Q

N

D

I

I

P

V

V

L

T

S

-

G

-

L

-

T

-

A

-

A

-

T

-

L

-
x
N

-

E

A

K

A

A

R

E

V

V

M

I

L

L

C

G

D

G

L

-

S

S

I

I

S

S

I

I

L

P

A

A

G

A

V

V

A

A

I

F

F

F

P

G

A

V

V

A

F

N

N

A

F

V

G

A

F

I

E

A

P

K

S

A

A

G

G

A

P
x
F

S

N

L

L

L

G

F

F

M

I

T

T

I

L

P

P

A

A

V

I

F

F

A

S

S

Q

M

T

P

A

G

G

G

G

Q

T

L

F

F

L

T

G

V

F

I

L

F

W

F

F

C

F

L

L

T

L

A

F

I
x
F

A
|
A

A

G

T

L

G
x
T

A
x
S

M

S

L

I

S

A

L

I

F

M

E

Q

V

P

P

M

V

I

A

A

W

F

L

L

V

E

E

D

E

E

F

L

K

K

M

L

S

S

R

R

A

K

K

H

A

A

T

V

I

L

G

W

T

T

A

A

L

A

V

I

L

V

G

-

V

-

M

-

G

-

A

-

P

-

A

-

T

F

L

F

S

S

M

A

S

H

V

L

L

V

G

-

D

-

F

-

K

-

M

M

F

F

G

L

L

N

N

K

M

S

F
x
L

D
|
D

L

E

Y

M

D

D

F

F

V

W

S

A

S

G

N

T

I

I

L

G

L

V

P

V

V

F

G

F

G

G

I

L

F

T

I

E

C

L

I

I

F

I

A

F

G

F

W

W

V

I

W

F

G

G

S

A

K

D

R

K

T

A

R

W

E

E

L

E

L

I

S

N

N

R

G

G

G

G

H

I

L

I

D

K

N

V

A

P

A

R

V

I

V

-

S

-

G

-

F

Y

L

Y

F

Y

V

V

V

M

K

R

W

Y

V

I

S

T

P

P

V

A

L

F

V

L

T

A

I

V

V

L

L

L

L

V

binding 3-(3-chloro-5h-dibenzo[b,f]azepin-5-yl)-n,n-dimethylpropan-1-amine: R28 (≠ K33), Q32 (≠ L37), R189 (= R174), F190 (≠ T175), I193 (= I178), F316 (≠ P288), F346 (≠ I318), L396 (≠ F379), D397 (= D380)
binding leucine: A20 (= A25), G22 (= G27), G24 (= G29), Y106 (= Y108), F249 (= F229), T250 (≠ K230), S252 (= S232), F255 (≠ M235)
binding sodium ion: G18 (= G23), A20 (= A25), V21 (= V26), V21 (= V26), G22 (= G27), N25 (= N30), T250 (≠ K230), N282 (vs. gap), A347 (= A319), T350 (≠ G322), S351 (≠ A323)

2qeiA Crystal structure analysis of leut complexed with l-alanine, sodium, and clomipramine (see paper)
30% identity, 97% coverage: 8:447/453 of query aligns to 2:460/511 of 2qeiA

query
sites
2qeiA

R

R

D

E

G

H

F

W

A

A

T

T

R

R

L

L

G

G

V

L

L

I

A

L

A

A

T

M

L

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

A
x
V

L
x
Q

T

A

G

A

Q

E

N

N

G

G

G

G

A

G

T

A

F

F

L

M

L

I

V

P

Y

Y

I

I

I

I

A

A

T

F

L

L

L

L

V

V

G

G

L

I

P

P

V

L

M

M

I

W

S

I

E

E

I

W

M

A

L

M

G

G

R

R

K

Y

A

G

K

G

A

A

N

Q

A

G

V

H

R

G

T

T

-

T

-

P

-

A

-

I

-

F

-

Y

-

L

-

L

Y

W

R

R

E

N

L

R

G

F

P

A

K

K

G

-

Q

-

P

-

W

-

S

-

L

I

I

L

G

G

I

V

S

F

G

G

V

L

I

W

A

I

A

P

V

L

L

V

I

V

M

A

G

I

F
x
Y

Y
|
Y

T

V

D

Y

V

I

A

E

G

S

W

W

V

T

F

L

A

G

Y

F

I

A

F

I

K

K

A

F

M

L

S

V

G

G

S

L

I

V

A

P

T

E

-

P

-

P

-

P

T

T

D

D

P

P

A

D

V

S

A

I

-

L

-

R

-

P

-

F

K

K

E

E

A

F

F

L

V

Y

A

S

L

Y

V

I

G

G

S

V

P

P

T

K

-

G

-

D

-

E

-

P

-

I

-

L

Q

K

S

P

L

S

M

L

W

F

Q

A

W

Y

I

I

V

V

L

F

A

L

L

I

V

T

S

M

-

F

-

I

-

N

-

V

A

S

I

I

I

L

L

I

G
x
R

G

G

V

I

S

S

S

K

G

G

I

I

E

E

R
|
R

T
x
F

T

A

K

K

I

I

L

A

M

M

P

P

V

T

L

L

L

F

L

I

L

L

L

A

C

V

V

F

V

L

C

V

A

I

R

R

S

V

L

F

T

L

L

L

P

E

-

T

-

P

-

N

-

G

K

T

A

A

A

A

E

D

G

G

L

L

A

N

F

F

L

L

F

W

T

T

P

P

D

D

F

F

S

E

K

K

I

L

T

K

G

D

-

P

G

G

V

V

I

W

L

I

M

A

A

A

L

V

G

G

L

Q

A

I

F

F

F
|
F

K
x
T

L

L

S
|
S

I

L

G

G

M

F

G

G

T

A

M

I

T

I

T

T

Y

Y

G

A

S

S

Y

Y

F

V

R

R

D

K

D

D

Q

Q

N

D

I

I

P

V

V

L

T

S

-

G

-

L

-

T

-

A

-

A

-

T

-

L

-
x
N

-

E

A

K

A

A

R

E

V

V

M

I

L

L

C

G

D

G

L

-

S

S

I

I

S

S

I

I

L

P

A

A

G

A

V

V

A

A

I

F

F

F

P

G

A

V

V

A

F

N

N

A

F

V

G

A

F

I

E

A

P

K

S

A

A

G

G

A

P
x
F

S

N

L

L

L

G

F

F

M

I

T

T

I

L

P

P

A

A

V

I

F

F

A

S

S

Q

M

T

P

A

G

G

G

G

Q

T

L

F

F

L

T

G

V

F

I

L

F

W

F

F

C

F

L

L

T

L

A

F

I
x
F

A
|
A

A

G

T

L

G
x
T

A
x
S

M

S

L

I

S

A

L

I

F

M

E

Q

V

P

P

M

V

I

A

A

W

F

L

L

V

E

E

D

E

E

F

L

K

K

M

L

S

S

R

R

A

K

K

H

A

A

T

V

I

L

G

W

T

T

A

A

L

A

V

I

L

V

G

-

V

-

M

-

G

-

A

-

P

-

A

-

T

F

L

F

S

S

M

A

S

H

V

L

L

V

G

-

D

-

F

-

K

-

M

M

F

F

G

L

L

N

N

K

M

S

F

L

D
|
D

L

E

Y

M

D
|
D

F

F

V

W

S

A

S

G

N

T

I

I

L

G

L

V

P

V

V

F

G

F

G

G

I

L

F

T

I

E

C

L

I

I

F

I

A

F

G

F

W

W

V

I

W

F

G

G

S

A

K

D

R

K

T

A

R

W

E

E

L

E

L

I

S

N

N

R

G

G

G

G

H

I

L

I

D

K

N

V

A

P

A

R

V

I

V

-

S

-

G

-

F

Y

L

Y

F

Y

V

V

V

M

K

R

W

Y

V

I

S

T

P

P

V

A

L

F

V

L

T

A

I

V

V

L

L

L

L

V

binding alanine: A19 (= A25), G21 (= G27), G23 (= G29), Y105 (= Y108), F248 (= F229), T249 (≠ K230), S251 (= S232)
binding 3-(3-chloro-5h-dibenzo[b,f]azepin-5-yl)-n,n-dimethylpropan-1-amine: R27 (≠ K33), V30 (≠ A36), Q31 (≠ L37), Y104 (≠ F107), R180 (≠ G166), R188 (= R174), F189 (≠ T175), F315 (≠ P288), F345 (≠ I318), D396 (= D380), D399 (= D383)
binding sodium ion: G17 (= G23), A19 (= A25), V20 (= V26), V20 (= V26), G21 (= G27), N24 (= N30), T249 (≠ K230), N281 (vs. gap), A346 (= A319), T349 (≠ G322), S350 (≠ A323)

2q72A Crystal structure analysis of leut complexed with l-leucine, sodium, and imipramine (see paper)
30% identity, 97% coverage: 8:447/453 of query aligns to 2:460/511 of 2q72A

query
sites
2q72A

R

R

D

E

G

H

F

W

A

A

T

T

R

R

L

L

G

G

V

L

L

I

A

L

A

A

T

M

L

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

A
x
V

L
x
Q

T

A

G

A

Q

E

N

N

G

G

G

G

A

G

T

A

F

F

L

M

L

I

V

P

Y

Y

I

I

I

I

A

A

T

F

L

L

L

L

V

V

G

G

L

I

P

P

V

L

M

M

I

W

S

I

E

E

I

W

M

A

L

M

G

G

R

R

K

Y

A

G

K

G

A

A

N

Q

A

G

V

H

R

G

T

T

-

T

-

P

-

A

-

I

-

F

-

Y

-

L

-

L

Y

W

R

R

E

N

L

R

G

F

P

A

K

K

G

-

Q

-

P

-

W

-

S

-

L

I

I

L

G

G

I

V

S

F

G

G

V

L

I

W

A

I

A

P

V

L

L

V

I

V

M

A

G

I

F

Y

Y
|
Y

T

V

D

Y

V

I

A

E

G

S

W

W

V

T

F

L

A

G

Y

F

I

A

F

I

K

K

A

F

M

L

S

V

G

G

S

L

I

V

A

P

T

E

-

P

-

P

-

P

T

T

D

D

P

P

A

D

V

S

A

I

-

L

-

R

-

P

-

F

K

K

E

E

A

F

F

L

V

Y

A

S

L

Y

V

I

G

G

S

V

P

P

T

K

-

G

-

D

-

E

-

P

-

I

-

L

Q

K

S

P

L

S

M

L

W

F

Q

A

W

Y

I

I

V

V

L

F

A

L

L

I

V

T

S

M

-

F

-

I

-

N

-

V

A

S

I

I

I

L

L

I

G

R

G

G

V

I

S

S

S

K

G

G

I

I

E

E

R
|
R

T
x
F

T

A

K

K

I
|
I

L

A

M

M

P

P

V

T

L

L

L

F

L

I

L

L

L

A

C

V

V

F

V

L

C

V

A

I

R

R

S

V

L

F

T

L

L

L

P

E

-

T

-

P

-

N

-

G

K

T

A

A

A

A

E

D

G

G

L

L

A

N

F

F

L

L

F

W

T

T

P

P

D

D

F

F

S

E

K

K

I

L

T

K

G

D

-

P

G

G

V

V

I

W

L

I

M

A

A

A

L

V

G

G

L

Q

A

I

F

F

F
|
F

K
x
T

L

L

S
|
S

I

L

G

G

M
x
F

G

G

T

A

M

I

T

I

T

T

Y

Y

G

A

S

S

Y

Y

F

V

R

R

D

K

D

D

Q

Q

N

D

I

I

P

V

V

L

T

S

-

G

-

L

-

T

-

A

-

A

-

T

-

L

-
x
N

-

E

A

K

A

A

R

E

V

V

M

I

L

L

C

G

D

G

L

-

S

S

I

I

S

S

I

I

L

P

A

A

G

A

V

V

A

A

I

F

F

F

P

G

A

V

V

A

F

N

N

A

F

V

G

A

F

I

E

A

P

K

S

A

A

G

G
x
A

P
x
F

S

N

L

L

L

G

F

F

M

I

T

T

I

L

P

P

A

A

V

I

F

F

A

S

S

Q

M

T

P

A

G

G

G

G

Q

T

L

F

F

L

T

G

V

F

I

L

F

W

F

F

C

F

L

L

T

L

A

F

I
x
F

A
|
A

A

G

T

L

G
x
T

A
x
S

M

S

L

I

S

A

L

I

F

M

E

Q

V

P

P

M

V

I

A

A

W

F

L

L

V

E

E

D

E

E

F

L

K

K

M

L

S

S

R

R

A

K

K

H

A

A

T

V

I

L

G

W

T

T

A

A

L

A

V

I

L

V

G

-

V

-

M

-

G

-

A

-

P

-

A

-

T

F

L

F

S

S

M

A

S

H

V

L

L

V

G

-

D

-

F

-

K

-

M

M

F

F

G

L

L

N

N

K

M

S

F

L

D
|
D

L

E

Y

M

D

D

F

F

V

W

S

A

S

G

N

T

I

I

L

G

L

V

P

V

V

F

G

F

G

G

I

L

F

T

I

E

C

L

I

I

F

I

A

F

G

F

W

W

V

I

W

F

G

G

S

A

K

D

R

K

T

A

R

W

E

E

L

E

L

I

S

N

N

R

G

G

G

G

H

I

L

I

D

K

N

V

A

P

A

R

V

I

V

-

S

-

G

-

F

Y

L

Y

F

Y

V

V

V

M

K

R

W

Y

V

I

S

T

P

P

V

A

L

F

V

L

T

A

I

V

V

L

L

L

L

V

binding 3-(5h-dibenzo[b,f]azepin-5-yl)-n,n-dimethylpropan-1-amine: R27 (≠ K33), V30 (≠ A36), Q31 (≠ L37), R188 (= R174), F189 (≠ T175), I192 (= I178), A314 (≠ G287), F315 (≠ P288), F345 (≠ I318), D396 (= D380)
binding leucine: A19 (= A25), G21 (= G27), L22 (= L28), G23 (= G29), Y105 (= Y108), F248 (= F229), T249 (≠ K230), S251 (= S232), F254 (≠ M235)
binding sodium ion: G17 (= G23), A19 (= A25), V20 (= V26), V20 (= V26), G21 (= G27), N24 (= N30), T249 (≠ K230), N281 (vs. gap), A346 (= A319), T349 (≠ G322), S350 (≠ A323)

Query Sequence

>206527 MicrobesOnline__882:206527
MAQQTSGRDGFATRLGVLAATLGSAVGLGNIWKFPALTGQNGGATFLLVYIIATLLVGLP
VMISEIMLGRKAKANAVRTYRELGPKGQPWSLIGISGVIAAVLIMGFYTDVAGWVFAYIF
KAMSGSIATTDPAVAKEAFVALVGSPTQSLMWQWIVLALVSAIILGGVSSGIERTTKILM
PVLLLLLCVVCARSLTLPKAAEGLAFLFTPDFSKITGGVILMALGLAFFKLSIGMGTMTT
YGSYFRDDQNIPVTAARVMLCDLSISILAGVAIFPAVFNFGFEPSAGPSLLFMTIPAVFA
SMPGGQLFTVIFFCLTAIAATGAMLSLFEVPVAWLVEEFKMSRAKATIGTALVLGVMGAP
ATLSMSVLGDFKMFGLNMFDLYDFVSSNILLPVGGIFICIFAGWVWGSKRTRELLSNGGH
LDNAAVVSGFLFVVKWVSPVLVTIVLLNGLKLF

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