SitesBLAST

7k5zA Crystal structure of argininosuccinate synthase from legionella pneumophila philadelphia 1 in complex with anppnp and a substrate analogue arginine
48% identity, 99% coverage: 4:400/401 of query aligns to 4:386/390 of 7k5zA

query
sites
7k5zA

E

K

K

K

I

I

A

A

V

L

A
|
A

Y
|
Y

S
|
S

G

G

L

L

D
|
D

T

T

S

S

V

I

M

M

I

I

K

P

W

W

L

L

K

K

D

E

K

H

Y

Y

E

E

G

H

A

A

E

E

I

V

V

I

A

A

V

V

T

I

G
x
C

N

D

L

L

G

G

Q

Q

K

Q

M

E

E

D

V

L

D

D

N

A

L

I

E

K

P

N

K

K

A

A

L

L

A

K

T

S

G

G

A

A

A

S

S

K

F

A

H

Y

F

V

V

V

D

D

L

V

R

K

K

N

T

E

F

F

V

A

E

T

D

Q

C

Y

I

L

W

W

K

P

A

L

L

V

K

K

A

S

G

G

A

A

L

L

Y

Y

E

E

D

D

V

Q

Y
|
Y

P

I

L

L

A

G

T
|
T

A

-

L

I

G

S

R
|
R

P

P

I

L

L

I

A

A

K

Q

A

K

L

L

V

V

D

E

V

I

A

A

L

L

A

T

E

E

G

Q

C

V

T

N

M

A

L

V

T

A

H

H

G
|
G

C

A

T

T

G

G

K

K

G

G

N

N

D
|
D

Q

Q

V

V

R
|
R

F
|
F

E

E

V

Y

T

S

F

I

A

K

S

A

L

L

A

A

P

P

H

Q

M

L

K

E

V

I

A

A

P

P

L

W

R

R

E

T

W

W

E

D

F

I

T

K

S

S

R

R

E

Q

Q

E

E

A

I

I

T

V

Y

Y

A

A

L

K

E

A

H

H

N

G

I

I

P

E

V

V

S

P

A

V

T

T

K

P

K

K

N

A

P

P

Y

Y

S
|
S

I

R

D

D

E

H

N

N

I

I

W

W

G

Y

I

I

S
|
S

I

H

E
|
E

C

G

G

G

V

V

L

L

E

E

D

D

P

P

M

S

V

Q

P

E

P

M

P

P

A

N

D

D

A

V

Y

L

Q

L

I

M

T

T

T

A

S

P

P

V

E

S

E

Q

A

T

P

P

D

D

K

E

P

E

T

E

V

V

D

V

I

L

D

D

F

F

V

K

E

K

G

G

I

V

P

P

V

V

A

A

L

L

D

N

G

G

Q

Q

Q

E

M

L

E

S

G

P

L

V

D

D

L

L

I

L

V

N

K

S

L

L

N

N

E

Q

L

K

G

A

A

G

M

Q

N

H

G

G

V

I

G

G

R

V

L

A

D

D

M

I

I

V

E
|
E

N

N

R

R

V

L

V

V

G

G

I

M

K

K

S

I

R

R

E

G

I

I

Y
|
Y

E

E

A

A

P

P

A

A

T

A

I

V

L

L

H

Y

F

K

A

A

H

H

R

K

E

L

L

L

E

E

R

S

L

L

T

C

L

L

E

T

K

R

S

S

V

T

F

L

Q

H

Y

L

K

K

R

Q

N

S

I

L

G

Q

Q

Q

D

T

Y

Y

A

A

N

N

I

L

I

V

Y

Y

N

E

G

G

T

R

W

W

F

F

S

S

P

Q

M

T

R

K

E

Q

A

A

L

L

D

D

A

A

F

F

V

I

D

D

V

V

T

T

Q

Q

K

Q

P

H

V

V

T

T

G

G

M

C

V

V

R

K

L

L

K

K

L

L

Y

F

K

K

G

G

N

N

V

I

T

I

L

P

L

A

G

G

R

M

T

H

S

S

P

P

N

Y

S

S

L

L

Y

H

N

H

E

Q

E

-

L

-

A

-

T

-

Y

-

T

-

E

-

A

-

D

-

T

-

F

-

N

-

H

-

K

K

A

D

A

A

E

E

G

G

F

F

I

I

Q

N

L

L

Y

F

G

S

L

L

G

S

L

A

K

K

T

I

Y

Y

S

S

E

Q

V

V

N

H

L

Q

G

G

active site: D15 (= D15), R95 (= R96), D124 (= D125), S176 (= S177)
binding phosphoaminophosphonic acid-adenylate ester: A9 (= A9), Y10 (= Y10), S11 (= S11), C37 (≠ G37), G117 (= G118), F128 (= F129)
binding arginine: Y88 (= Y88), T92 (= T92), D124 (= D125), R127 (= R128), S185 (= S186), E187 (= E188), E261 (= E262), Y273 (= Y274)

1j20A Crystal structure of thermus thermophilus hb8 argininosuccinate synthetase in complex with product (see paper)
48% identity, 97% coverage: 5:393/401 of query aligns to 2:380/386 of 1j20A

query
sites
1j20A

K

K

I

I

A

V

V

L

A
|
A

Y

Y

S

S

G

G

L

L

D
|
D

T
|
T

S

S

V

I

M

I

I

L

K

K

W

W

L

L

K

K

D

E

K

T

Y

Y

E

R

G

-

A

A

E

E

I

V

V

I

A

A

V

F

T

T

G
x
A

N

D

L

I

G

G

Q

Q

K

G

M

E

E

E

V

V

D

E

N

E

L

A

E

R

P

E

K

K

A

A

L

L

A

R

T

T

G

G

A

A

A

S

S

K

F

A

H

I

F

A

V

L

D

D

L

L

R

K

K

E

T

E

F

F

V

V

E

R

D

D

C

F

I

V

W

F

K

P

A

M

L

M

K

R

A

A

G

G

A

A

L

V

Y

Y

E

E

D

G

V

Y

Y
|
Y

P

L

L

L

A

G

T
|
T

A

S

L

I

G

A

R
|
R

P

P

I

L

L

I

A

A

K

K

A

H

L

L

V

V

D

R

V

I

A

A

L

E

A

E

E

E

G

G

C

A

T

E

M

A

L

I

T

A

H
|
H

G
|
G

C
x
A

T
|
T

G

G

K

K

G
|
G

N
|
N

D
|
D

Q

Q

V

V

R
|
R

F
|
F

E

E

V

L

T

T

F

A

A

Y

S

A

L

L

A

K

P

P

H

D

M

I

K

K

V

V

V

I

A

A

P

P

L

W

R

R

E

E

W

W

E

S

F

F

T

Q

S

G

R

R

E

K

Q

E

E

M

I

I

T

A

Y

Y

A

A

L

E

E

A

H

H

N

G

I

I

P

P

V

V

S

P

A

-

T

-

K

-

N

-

P

P

Y

Y

S
|
S

I

M

D

D

E

A

N

N

I

L

W

L

G

H

I

I

S
|
S

I

Y

E
|
E

C

G

G

G

V

V

L

L

E

E

D

D

P

P

M

W

V

A

P

E

P

P

A

K

D

G

A

M

Y

F

Q

R

I

M

T

T

T

Q

S

D

P

P

E

E

A

A

P

P

D

D

K

A

P

P

T

E

V

Y

V

V

D

E

I

V

D

E

F

F

V

F

E

E

G

G

I

D

P

P

V

V

A

A

L

V

D

N

G

G

Q

E

Q

R

M

L

E

S

G

P

L

A

D

A

L

L

I

L

V

Q

K

R

L

L

N

N

E

E

L

I

G

G

A

G

M

R

N

H

G

G

V

V

G

G

R

R

L

V

D

D

M

I

I

V

E
|
E

N

N

R

R

V

F

V

V

G

G

I

M

K

K

S

S

R

R

E

G

I

V

Y
|
Y

E

E

A

T

P

P

A

G

T

T

I

I

L

L

H

Y

F

H

A

A

H

R

R

R

E

A

L

V

E

E

R

S

L

L

T

T

L

L

E

D

K

R

S

E

V

V

F

L

Q

H

Y

Q

K

R

R

D

N

M

I

L

G

S

Q

P

D

K

Y

Y

A

A

N

E

I

L

I

V

Y

Y

N

Y

G

G

T

F

W

W

F

Y

S

A

P

P

M

E

R

R

E

E

A

A

L

L

D

Q

A

A

F

Y

V

F

D

D

V

H

T

V

Q

A

K

R

P

S

V

V

T

T

G

G

M

V

V

A

R

R

L

L

K

K

L

L

Y

Y

K

K

G

G

N

N

V

V

T

Y

L

V

G

G

R

R

T

K

S

A

P

P

N

K

S

S

L

L

Y

Y

N

R

E

Q

E

D

L

L

A

V

T

S

Y

F

T

-

E

-

A

-

D

-

T

G

F

Y

N

D

H

Q

K

K

A

D

A

A

E

E

G

G

F

F

I

I

Q

K

L

I

Y

Q

G

A

L

L

G

R

L

L

K

R

T

V

active site: D12 (= D15), R92 (= R96), D121 (= D125), S168 (= S177)
binding adenosine monophosphate: A6 (= A9), T13 (= T16), A33 (≠ G37), R92 (= R96), H113 (= H117), G114 (= G118), F125 (= F129)
binding argininosuccinate: Y84 (= Y88), T88 (= T92), A115 (≠ C119), T116 (= T120), G119 (= G123), N120 (= N124), D121 (= D125), R124 (= R128), S177 (= S186), E179 (= E188), E253 (= E262), Y265 (= Y274)

1j1zA Crystal structure of thermus thermophilus hb8 argininosuccinate synthetase in complex with substrate (see paper)
48% identity, 97% coverage: 5:393/401 of query aligns to 2:380/386 of 1j1zA

query
sites
1j1zA

K

K

I

I

A

V

V

L

A
|
A

Y

Y

S

S

G

G

L

L

D
|
D

T
|
T

S

S

V

I

M

I

I

L

K

K

W

W

L

L

K

K

D

E

K

T

Y

Y

E

R

G

-

A

A

E

E

I

V

V

I

A

A

V

F

T

T

G
x
A

N

D

L

I

G

G

Q

Q

K

G

M

E

E

E

V

V

D

E

N

E

L

A

E

R

P

E

K

K

A

A

L

L

A

R

T

T

G

G

A

A

A

S

S

K

F

A

H

I

F

A

V

L

D

D

L

L

R

K

K

E

T

E

F

F

V

V

E

R

D

D

C

F

I

V

W

F

K

P

A

M

L

M

K

R

A

A

G

G

A

A

L

V

Y

Y

E

E

D

G

V

Y

Y
|
Y

P

L

L

L

A

G

T
|
T

A

S

L

I

G

A

R
|
R

P

P

I

L

L
x
I

A

A

K

K

A

H

L

L

V

V

D

R

V

I

A

A

L

E

A

E

E

E

G

G

C

A

T

E

M

A

L

I

T

A

H
|
H

G
|
G

C
x
A

T
|
T

G

G

K

K

G
|
G

N
|
N

D
|
D

Q

Q

V

V

R
|
R

F
|
F

E

E

V

L

T

T

F

A

A

Y

S

A

L

L

A

K

P

P

H

D

M

I

K

K

V

V

V

I

A

A

P

P

L

W

R

R

E

E

W

W

E

S

F

F

T

Q

S

G

R

R

E

K

Q

E

E

M

I

I

T

A

Y

Y

A

A

L

E

E

A

H

H

N

G

I

I

P

P

V

V

S

P

A

-

T

-

K

-

N

-

P

P

Y

Y

S
|
S

I
x
M

D

D

E

A

N

N

I

L

W

L

G

H

I

I

S
|
S

I

Y

E
|
E

C

G

G

G

V

V

L

L

E

E

D

D

P

P

M

W

V

A

P

E

P

P

A

K

D

G

A

M

Y

F

Q

R

I

M

T

T

T

Q

S

D

P

P

E

E

A

A

P

P

D

D

K

A

P

P

T

E

V

Y

V

V

D

E

I

V

D

E

F

F

V

F

E

E

G

G

I

D

P

P

V

V

A

A

L

V

D

N

G

G

Q

E

Q

R

M

L

E

S

G

P

L

A

D

A

L

L

I

L

V

Q

K

R

L

L

N

N

E

E

L

I

G

G

A

G

M

R

N

H

G

G

V

V

G

G

R

R

L

V

D

D

M

I

I

V

E
|
E

N

N

R

R

V

F

V

V

G

G

I

M

K

K

S

S

R

R

E

G

I

V

Y
|
Y

E

E

A

T

P

P

A

G

T

T

I

I

L

L

H

Y

F

H

A

A

H

R

R

R

E

A

L

V

E

E

R

S

L

L

T

T

L

L

E

D

K

R

S

E

V

V

F

L

Q

H

Y

Q

K

R

R

D

N

M

I

L

G

S

Q

P

D

K

Y

Y

A

A

N

E

I

L

I

V

Y

Y

N

Y

G

G

T

F

W

W

F

Y

S

A

P

P

M

E

R

R

E

E

A

A

L

L

D

Q

A

A

F

Y

V

F

D

D

V

H

T

V

Q

A

K

R

P

S

V

V

T

T

G

G

M

V

V

A

R

R

L

L

K

K

L

L

Y

Y

K

K

G

G

N

N

V

V

T

Y

L

V

G

G

R

R

T

K

S

A

P

P

N

K

S

S

L

L

Y

Y

N

R

E

Q

E

D

L

L

A

V

T

S

Y

F

T

-

E

-

A

-

D

-

T

G

F

Y

N

D

H

Q

K

K

A

D

A

A

E

E

G

G

F

F

I

I

Q

K

L

I

Y

Q

G

A

L

L

G

R

L

L

K

R

T

V

active site: D12 (= D15), R92 (= R96), D121 (= D125), S168 (= S177)
binding aspartic acid: A115 (≠ C119), T116 (= T120), G119 (= G123), N120 (= N124), D121 (= D125)
binding adenosine-5'-triphosphate: A6 (= A9), T13 (= T16), A33 (≠ G37), R92 (= R96), I95 (≠ L99), H113 (= H117), G114 (= G118), F125 (= F129)
binding citrulline: Y84 (= Y88), T88 (= T92), R124 (= R128), S168 (= S177), M169 (≠ I178), S177 (= S186), E179 (= E188), E253 (= E262), Y265 (= Y274)

4xfjB Crystal structure of argininosuccinate synthase from mycobacterium thermoresistibile in complex with amppnp and arginine
48% identity, 96% coverage: 4:389/401 of query aligns to 2:386/397 of 4xfjB

query
sites
4xfjB

E

E

K

R

I

V

A

I

V

L

A
|
A

Y
|
Y

S
|
S

G

G

L

L

D
|
D

T
|
T

S

S

V

V

M

A

I

I

K

S

W

W

L

I

K

G

D

-

K

K

Y

E

E

T

G

G

A

R

E

E

I

V

V

V

A

A

V

V

T

A

G
x
I

N

D

L

L

G

G

Q

Q

K

G

M

G

E

E

-

D

V

M

D

E

N

V

L

V

E

R

P

Q

K

R

A

A

L

L

A

D

T

C

G

G

A

A

A

V

S

E

F

S

H

I

F

V

V

I

D

D

L

A

R

R

K

D

T

E

F

F

V

A

E

N

D

D

C

Y

I

C

W

V

K

P

A

A

L

I

K

Q

A

S

G

N

A

A

L

L

Y

Y

E

M

D

D

V

R

Y
|
Y

P

P

L

L

A

V

T
x
S

A

A

L

L

G

S

R
|
R

P

P

I

L

L

I

A

V

K

K

A

H

L

L

V

V

D

K

V

A

A

A

L

R

A

E

E

H

G

G

C

G

T

T

M

I

L

V

T

A

H

H

G
|
G

C
|
C

T

T

G

G

K

K

G

G

N

N

D
|
D

Q

Q

V

V

R
|
R

F
|
F

E

E

V

V

T

G

F

F

A

A

S

S

L

L

A

A

P

P

H

D

M

L

K

E

V

V

V

L

A

A

P

P

L

V

R

R

E

D

W

Y

E

A

F

W

T

T

S

-

R

R

E

E

Q

K

E

A

I

I

T

A

Y

F

A

A

L

E

E

E

H

N

N

N

I

I

P

P

V

I

S

N

A

V

T

T

K

K

K

R

N

S

P

P

Y

F

S
|
S

I

I

D

D

E

Q

N

N

I

V

W

W

G

G

I

R

S
x
A

I

V

E
|
E

C

T

G

G

V

F

L

L

E

E

D

H

P

L

M

W

V

N

P

A

P

P

P

T

A

K

D

D

A

V

Y

Y

Q

S

I

Y

T

T

T

E

S

D

P

P

E

T

E

V

A

N

P

W

D

S

K

T

P

P

T

D

V

E

V

V

D

I

I

V

D

G

F

F

V

E

E

Q

G

G

I

V

P

P

V

V

A

S

L

I

D

D

G

G

Q

R

Q

S

M

V

E

T

G

P

L

L

D

Q

L

A

I

I

V

E

K

E

L

L

N

N

E

R

L

R

G

G

A

G

M

E

N

Q

G

G

V

V

G

G

R

R

L

L

D

D

M

V

I

V

E
|
E

N

D

R

R

V

L

V

V

G

G

I

I

K

K

S

S

R

R

E
|
E

I

I

Y
|
Y

E

E

A

A

P

P

A

G

A

A

T

M

I

V

L

L

H

I

F

T

A

A

H

H

R

T

E

E

L

L

E

E

R

H

L

V

T

T

L

L

E

E

K

R

S

E

V

L

F

G

Q

R

Y

F

K

K

R

R

N

I

I

T

G

D

Q

Q

D

K

Y

W

A

G

N

E

I

L

I

V

Y

Y

N

D

G

G

T

L

W

W

F

F

S

S

P

P

M

L

R

K

E

T

A

A

L

L

D

E

A

S

F

F

V

V

D

A

V

K

T

T

Q

Q

K

E

P

H

V

V

T

T

G

G

M

E

V

I

R

R

L

M

K

V

L

L

Y

H

K

G

G

G

N

H

V

I

T

A

L

V

L

N

G

G

R

R

T

R

S

S

P

P

N

K

S

S

L

L

Y

Y

N

D

E

F

E

N

L

L

A

A

T

T

Y

Y

T

D

E

E

A

G

D

D

T

T

F

F

N

D

H

Q

K

S

A

A

E

K

G

G

F

F

I

V

Q

Q

L

I

Y

H

G

G

L

L

active site: D13 (= D15), R94 (= R96), D123 (= D125), S174 (= S177)
binding phosphoaminophosphonic acid-adenylate ester: A7 (= A9), Y8 (= Y10), S9 (= S11), T14 (= T16), I34 (≠ G37), G116 (= G118), C117 (= C119), F127 (= F129)
binding arginine: Y86 (= Y88), S90 (≠ T92), R126 (= R128), A183 (≠ S186), E185 (= E188), E259 (= E262), E269 (= E272), Y271 (= Y274)

1kh3A Crystal structure of thermus thermophilus hb8 argininosuccinate synthetase in complex with inhibitor (see paper)
48% identity, 97% coverage: 5:393/401 of query aligns to 2:374/380 of 1kh3A

query
sites
1kh3A

K

K

I

I

A

V

V

L

A
|
A

Y

Y

S

S

G

G

L

L

D
|
D

T
|
T

S

S

V

I

M

I

I

L

K

K

W

W

L

L

K

K

D

E

K

T

Y

Y

E

R

G

-

A

A

E

E

I

V

V

I

A

A

V

F

T
|
T

G
x
A

N

D

L

I

G

G

Q

Q

K

G

M

E

E

E

V

V

D

E

N

E

L

A

E

R

P

E

K

K

A

A

L

L

A

R

T

T

G

G

A

A

A

S

S

K

F

A

H

I

F

A

V

L

D

D

L

L

R

K

K

E

T

E

F

F

V

V

E

R

D

D

C

F

I

V

W

F

K

P

A

M

L

M

K

R

A

A

G

G

A

A

L

V

Y

Y

E

E

D

G

V

Y

Y
|
Y

P

L

L

L

A

G

T
|
T

A

S

L

I

G

A

R
|
R

P

P

I

L

L

I

A

A

K

K

A

H

L

L

V

V

D

R

V

I

A

A

L

E

A

E

E

E

G

G

C

A

T

E

M

A

L

I

T

A

H
|
H

G
|
G

C
x
A

T
|
T

G

G

K

K

G
|
G

N
|
N

D
|
D

Q

Q

V

V

R
|
R

F
|
F

E

E

V

L

T

T

F

A

A

Y

S

A

L

L

A

K

P

P

H

D

M

I

K

K

V

V

V

I

A

A

P

P

L

W

R

R

E

E

W

W

E

S

F

F

T

Q

S

G

R

R

E

K

Q

E

E

M

I

I

T

A

Y

Y

A

A

L

E

E

A

H

H

N

G

I

I

P

P

V

V

S

P

A

-

T

-

K

-

N

-

P

P

Y

Y

S
|
S

I
x
M

D
|
D

E

A

N

N

I

L

W

L

G

H

I

I

S
|
S

I

Y

E
|
E

C

G

G

G

V

V

L

L

E

E

D

D

P

P

M

W

V

A

P

E

P

P

A

K

D

G

A

M

Y

F

Q

R

I

M

T

T

T

Q

S

D

P

P

E

E

A

A

P

P

D

D

K

A

P

P

T

E

V

Y

V

V

D

E

I

V

D

E

F

F

V

F

E

E

G

G

I

D

P

P

V

V

A

A

L

V

D

N

G

G

Q

E

Q

R

M

L

E

S

G

P

L

A

D

A

L

L

I

L

V

Q

K

R

L

L

N

N

E

E

L

I

G

G

A

G

M

R

N

H

G

G

V

V

G

G

R

R

L

V

D

D

M

I

I

V

E
|
E

N

N

R

R

V

F

V

V

G

G

I

M

K

K

S

S

R

R

E

G

I

V

Y
|
Y

E

E

A

T

P

P

A

G

T

T

I

I

L

L

H

Y

F

H

A

A

H

R

R

R

E

A

L

V

E

E

R

S

L

L

T

T

L

L

E

D

K

R

S

E

V

V

F

L

Q

H

Y

Q

K

R

R

D

N

M

I

L

G

S

Q

P

D

K

Y

Y

A

A

N

E

I

L

I

V

Y

Y

N

Y

G

G

T

F

W

W

F

Y

S

A

P

P

M

E

R

R

E

E

A

A

L

L

D

Q

A

A

F

Y

V

F

D

D

V

H

T

V

Q

A

K

R

P

S

V

V

T

T

G

G

M

V

V

A

R

R

L

L

K

K

L

L

Y

Y

K

K

G

G

N

N

V

V

T

Y

L

V

G

G

R

R

T

K

S

A

P

P

N

K

S

S

L

L

Y

Y

N

R

E

-

L

-

A

-

T

-

Y

-

T

-

E

-

A

-

D

-

T

G

F

Y

N

D

H

Q

K

K

A

D

A

A

E

E

G

G

F

F

I

I

Q

K

L

I

Y

Q

G

A

L

L

G

R

L

L

K

R

T

V

active site: D12 (= D15), R92 (= R96), D121 (= D125), S168 (= S177)
binding phosphoaminophosphonic acid-adenylate ester: A6 (= A9), T13 (= T16), T32 (= T36), A33 (≠ G37), H113 (= H117), G114 (= G118), F125 (= F129), S168 (= S177), M169 (≠ I178)
binding arginine: Y84 (= Y88), T88 (= T92), R124 (= R128), S168 (= S177), M169 (≠ I178), D170 (= D179), S177 (= S186), E179 (= E188), E253 (= E262), Y265 (= Y274)
binding aspartic acid: A115 (≠ C119), T116 (= T120), G119 (= G123), N120 (= N124), D121 (= D125)

2nz2A Crystal structure of human argininosuccinate synthase in complex with aspartate and citrulline (see paper)
43% identity, 99% coverage: 3:398/401 of query aligns to 1:401/402 of 2nz2A

query
sites
2nz2A

K

K

E

G

K

S

I

V

A

V

V

L

A

A

Y

Y

S

S

G

G

L

L

D
|
D

T

T

S

S

V

C

M

I

I

L

K

V

W

W

L

L

K

K

D

E

K

-

Y

-

E

Q

G

G

A

Y

E

D

I

V

V

I

A

A

V

Y

T

L

G

A

N

N

L

I

G

G

Q

Q

K

K

M

E

E

D

V

F

D

E

N

E

L

A

E

R

P

K

K

K

A

A

L

L

A

K

T

L

G

G

A

A

A

K

S

K

F

V

H

F

F

I

V

E

D

D

L

V

R

S

K

R

T

E

F

F

V

V

E

E

D

E

C

F

I

I

W

W

K

P

A

A

L

I

K

Q

A

S

G

S

A

A

L

L

Y

Y

E

E

D

D

V

R

Y
|
Y

P

L

L

L

A

G

T
|
T

A

S

L

L

G

A

R
|
R

P

P

I

C

L

I

A

A

K

R

A

K

L

Q

V

V

D

E

V

I

A

A

L

Q

A

R

E

E

G

G

C

A

T

K

M

Y

L

V

T

S

H

H

G

G

C
x
A

T
|
T

G

G

K

K

G
|
G

N
|
N

D
|
D

Q

Q

V

V

R
|
R

F

F

E

E

V

L

T

S

F

C

A

Y

S

S

L

L

A

A

P

P

H

Q

M

I

K

K

V

V

V

I

A

A

P

P

L

W

R

R

E

M

W

P

E

E

F

F

T

Y

S

N

R

R

E

F

Q

K

E

R

-

N

-

D

-

L

I

M

T

E

Y

Y

A

A

L

K

E

Q

H

H

N

G

I

I

P

P

V

I

S

P

A

V

T

T

K

P

K

K

N

N

P

P

Y

W

S
|
S

I

M

D
|
D

E

E

N

N

I

L

W

M

G

H

I

I

S
|
S

I

Y

E
|
E

C

A

G

G

V

I

L

L

E

E

D

N

P

P

M

K

V

N

P

Q

P

A

P

P

A

P

D

G

A

L

Y

Y

Q

T

I

K

T

T

T

Q

S

D

P

P

E

A

E

K

A

A

P

P

D

N

K

T

P

P

T

D

V

I

V

L

D

E

I

I

D

E

F

F

V

K

E

K

G

G

I

V

P

P

V

V

A

K

L

V

-

T

-

N

-

V

-

K

D

D

G

G

Q

T

M

H

E

Q

-

T

G

S

L

L

D

E

L

L

I

F

V

M

K

Y

L

L

N

N

E

E

L

V

G

A

A

G

M

K

N

H

G

G

V

V

G

G

R

R

L

I

D

D

M

I

I

V

E
|
E

N

N

R

R

V

F

V

I

G

G

I

M

K

K

S

S

R

R

E

G

I

I

Y
|
Y

E

E

A

T

P

P

A

A

A

G

T

T

I

I

L

L

H

Y

F

H

A

A

H

H

R

L

E

D

L

I

E

E

R

A

L

F

T

T

L

M

E

D

K

R

S

E

V

V

F

R

Q

K

Y

I

K

K

R

Q

N

G

I

L

G

G

Q

L

D

K

Y

F

A

A

N

E

I

L

I

V

Y

Y

N

T

G

G

T

F

W

W

F

H

S

S

P

P

M

E

R

C

E

E

A

F

L

V

D

R

A

H

F

C

V

I

D

A

V

K

T

S

Q

Q

K

E

P

R

V

V

T

E

G

G

M

K

V

V

R

Q

L

V

K

S

L

V

Y

L

K

K

G

G

N

Q

V

V

T

Y

L

I

L

L

G

G

R

R

T

E

S

S

P

P

N

L

S

S

L

L

Y

Y

N

N

E

E

L

L

A

V

T

S

Y

N

T

V

E

Q

A

G

D

D

T

-

F

Y

N

E

H

P

K

T

A

D

A

A

E

T

G

G

F

F

I

I

Q

N

L

I

Y

N

G

S

L

L

G

R

L

L

K

K

T

E

Y

Y

S

H

E

R

V

L

N

Q

active site: D13 (= D15), R92 (= R96), D121 (= D125), S176 (= S177)
binding aspartic acid: A115 (≠ C119), T116 (= T120), G119 (= G123), N120 (= N124), D121 (= D125)
binding citrulline: Y84 (= Y88), T88 (= T92), N120 (= N124), R124 (= R128), D178 (= D179), S185 (= S186), E187 (= E188), E266 (= E262), Y278 (= Y274)

P00966 Argininosuccinate synthase; Citrulline--aspartate ligase; EC 6.3.4.5 from Homo sapiens (Human) (see 16 papers)
43% identity, 99% coverage: 2:398/401 of query aligns to 3:406/412 of P00966

query
sites
P00966

S

S

K

K

E

G

K

S

I

V

A

V

V

L

A

A

Y

Y

S

S

G

G

L

L

D

D

T

T

S

S

V

C

M

I

I

L

K

V

W

W

L

L

K

K

D

E

K

-

Y

-

E

Q

G

G

A

Y

E

D

I

V

V

I

A

A

V

Y

T

L

G

A

N

N

L

I

G

G

Q

Q

K

K

M

E

E

D

V

F

D

E

N

E

L

A

E

R

P

K

K

K

A

A

L

L

A

K

T

L

G

G

A

A

A

K

S

K

F

V

H

F

F

I

V

E

D

D

L
x
V

R

S

K

R

T

E

F

F

V

V

E

E

D

E

C

F

I

I

W

W

K

P

A

A

L

I

K

Q

A

S

G

S

A

A

L

L

Y

Y

E

E

D

D

V

R

Y
|
Y

P

L

L

L

A

G

T
|
T

A
x
S

L

L

G

A

R
|
R

P
|
P

I

C

L

I

A

A

K

R

A

K

L

Q

V

V

D

E

V

I

A

A

L

Q

A

R

E

E

G

G

C

A

T

K

M

Y

L

V

T

S

H

H

G
|
G

C
x
A

T
|
T

G

G

K

K

G

G

N
|
N

D
|
D

Q

Q

V

V

R
|
R

F

F

E

E

V

L

T

S

F

C

A

Y

S

S

L

L

A

A

P

P

H

Q

M

I

K

K

V

V

V

I

A

A

P

P

L

W

R

R

E

M

W

P

E

E

F

F

T

Y

S

N

R

R

-

F

-

K

-

G

-
x
R

E

N

Q

D

E

L

I

M

T

E

Y

Y

A

A

L
x
K

E

Q

H

H

N

G

I

I

P

P

V

I

S

P

A

V

T

T

K

P

K
|
K

N

N

P

P

Y
x
W

S
|
S

I

M

D

D

E

E

N

N

I

L

W

M

G

H

I

I

S
|
S

I

Y

E
|
E

C
x
A

G

G

V

I

L

L

E

E

D

N

P

P

M

K

V

N

P

Q

P

A

P

P

A

P

D

G

A

L

Y

Y

Q

T

I

K

T

T

T

Q

S

D

P

P

E

A

E

K

A

A

P

P

D

N

K

T

P

P

T

D

V

I

V

L

D

E

I

I

D

E

F

F

V

K

E

K

G

G

I

V

P

P

V

V

A

K

L

V

-

T

-

N

-

V

-

K

D

D

G

G

Q

T

M

H

E

Q

-

T

G

S

L

L

D

E

L

L

I

F

V

M

K

Y

L

L

N

N

E

E

L

V

G

A

A

G

M

K

N

H

G

G

V
|
V

G

G

R
|
R

L

I

D

D

M

I

I

V

E
|
E

N

N

R
|
R

V

F

V

I

G

G

I

M

K

K

S

S

R

R

E
x
G

I

I

Y
|
Y

E

E

A
x
T

P

P

A

A

A

G

T

T

I

I

L

L

H

Y

F

H

A

A

H

H

R

L

E

D

L

I

E

E

R

A

L

F

T

T

L
x
M

E

D

K
x
R

S

E

V

V

F

R

Q

K

Y

I

K

K

R

Q

N

G

I

L

G

G

Q

L

D

K

Y

F

A

A

N

E

I

L

I

V

Y

Y

N

T

G
|
G

T

F

W

W

F

H

S

S

P

P

M

E

R

C

E

E

A

F

L

V

D

R

A

H

F

C

V

I

D

A

V

K

T

S

Q

Q

K

E

P

R

V

V

T

E

G
|
G

M

K

V

V

R

Q

L

V

K

S

L

V

Y

L

K

K

G

G

N

Q

V

V

T
x
Y

L

I

L

L

G
|
G

R

R

T

E

S

S

P

P

N

L

S

S

L

L

Y

Y

N

N

E

E

L

L

A

V

T

S

Y

M

T

N

E

V

A

Q

D

G

T

D

F

Y

N

E

H

P

K

T

A

D

A

A

E

T

G
|
G

F

F

I

I

Q

N

L

I

Y

N

G

S

L

L

G

R

L

L

K

K

T

E

Y

Y

S

H

E

R

V

L

N

Q

V64 (≠ L65) to I: in CTLN1; uncertain significance; dbSNP:rs556297791
Y87 (= Y88) binding L-citrulline
T91 (= T92) to P: in CTLN1; decreased affinity for aspartate; decreased affinity for citrulline; decreased argininosuccinate synthase activity; dbSNP:rs769018733
S92 (≠ A93) binding L-citrulline
R95 (= R96) to S: in CTLN1; increased thermal stability; loss of argininosuccinate synthase activity
P96 (= P97) to H: in CTLN1; decreased affinity for aspartate; decreased affinity for citrulline; decreased argininosuccinate synthase activity; to L: in CTLN1; decreased thermal stability; decreased affinity for aspartate; decreased affinity for citrulline; loss of argininosuccinate synthase activity; to S: in CTLN1; no effect on thermal stability; decreased argininosuccinate synthase activity
G117 (= G118) to S: in CTLN1; decreased thermal stability; loss of argininosuccinate synthase activity; dbSNP:rs770944877
A118 (≠ C119) to T: in CTLN1; decreased thermal stability; decreased affinity for aspartate; decreased affinity for citrulline; decreased argininosuccinate synthase activity; dbSNP:rs775305020
T119 (= T120) binding L-aspartate; to I: in CTLN1; decreased thermal stability; loss of argininosuccinate synthase activity
N123 (= N124) binding L-aspartate; binding L-citrulline
D124 (= D125) binding L-aspartate; to N: in CTLN1; loss of argininosuccinate synthase activity; dbSNP:rs936192871
R127 (= R128) binding L-citrulline; to L: increased thermal stability; loss of argininosuccinate synthase activity; dbSNP:rs201623252; to Q: in CTLN1; increased thermal stability; loss of argininosuccinate synthase activity; dbSNP:rs201623252; to W: in CTLN1; severe clinical course; loss of argininosuccinate synthase activity; dbSNP:rs771794639
R157 (vs. gap) to C: in CTLN1; decreased thermal stability; loss of argininosuccinate synthase activity; dbSNP:rs770585183; to H: in CTLN1; loss of argininosuccinate synthase activity; dbSNP:rs121908637
K165 (≠ L162) modified: N6-acetyllysine; by CLOCK; mutation K->Q,R: Significant loss of acetylation but no decrease in enzyme activity; when associated with Q-176 or R-176.
K176 (= K173) modified: N6-acetyllysine; by CLOCK; mutation K->Q,R: Significant loss of acetylation but no decrease in enzyme activity; when associated with Q-165 or R-165.
W179 (≠ Y176) to R: in CTLN1; mild; decreased affinity for aspartate; decreased affinity for citrulline; decreased argininosuccinate synthase activity; dbSNP:rs121908646
S180 (= S177) binding L-citrulline; to I: in CTLN1; increased thermal stability; loss of argininosuccinate synthase activity; dbSNP:rs121908638; to N: in CTLN1; decreased thermal stability; decreased affinity for aspartate; decreased affinity for citrulline; decreased argininosuccinate synthase activity; dbSNP:rs121908638
S189 (= S186) binding L-citrulline
E191 (= E188) to Q: in CTLN1; loss of argininosuccinate synthase activity
A192 (≠ C189) to V: in CTLN1; decreased protein abundance
V263 (= V255) to M: in CTLN1; mild clinical course; no effect on affinity for aspartate; no effect on affinity for citrulline; decreased argininosuccinate synthase activity; dbSNP:rs192838388
R265 (= R257) to C: in CTLN1; severe clinical course; loss of argininosuccinate synthase activity; dbSNP:rs148918985
E270 (= E262) binding L-citrulline; to Q: in CTLN1; loss of argininosuccinate synthase activity; dbSNP:rs775163147
R272 (= R264) to C: in CTLN1; increased thermal stability; decreased affinity for aspartate; decreased affinity for citrulline; decreased argininosuccinate synthase activity; dbSNP:rs762387914; to H: in CTLN1; increased thermal stability; decreased affinity for aspartate; decreased affinity for citrulline; decreased argininosuccinate synthase activity; dbSNP:rs768215008; to L: in CTLN1; increased thermal stability; decreased affinity for aspartate; decreased affinity for citrulline; decreased argininosuccinate synthase activity; dbSNP:rs768215008
G280 (≠ E272) to R: in CTLN1; loss of argininosuccinate synthase activity
Y282 (= Y274) binding L-citrulline
T284 (≠ A276) to I: in CTLN1; mild clinical course; dbSNP:rs886039853
M302 (≠ L294) to V: in CTLN1; no effect on affinity for aspartate; no effect on affinity for citrulline; decreased argininosuccinate synthase activity
R304 (≠ K296) to W: in CTLN1; decreased protein abundance; dbSNP:rs121908642
G324 (= G316) to S: in CTLN1; loss of argininosuccinate synthase activity; dbSNP:rs121908639
G347 (= G339) to R: in CTLN1; severe clinical course
Y359 (≠ T351) to D: in CTLN1; mild clinical course
G362 (= G354) to V: in CTLN1; mild; no effect on affinity for aspartate; no effect on affinity for citrulline; decreased argininosuccinate synthase activity; dbSNP:rs121908647
G390 (= G382) to R: in CTLN1; loss of argininosuccinate synthase activity; dbSNP:rs121908641

5us8A 2.15 angstrom resolution crystal structure of argininosuccinate synthase from bordetella pertussis
32% identity, 90% coverage: 4:365/401 of query aligns to 15:388/445 of 5us8A

query
sites
5us8A

E

Q

K

K

I

V

A

G

V

I

A

A

Y

F

S

S

G

G

L

L

D
|
D

T

T

S

S

V

A

M

A

I

L

K

L

W

W

L

M

K

R

D

Q

K

K

Y

-

E

-

G

G

A

A

E

V

I

P

V

Y

A

A

V

Y

T

T

G

A

N

N

L

L

G

G

Q

Q

K

P

M

D

E

E

-

P

-

D

V

Y

D

D

N

E

L

I

E

P

P

R

K

R

A

A

L

M

A

Q

T

Y

G

G

A

A

A

E

S

A

F

A

H

R

F

L

V

V

D

D

L

C

R

R

K

A

T

Q

F

L

V

V

E

A

D

E

C

G

I

I

W

-

K

A

A

A

L

L

K

Q

A

A

G

G

A

A

L

F

Y

H

E

I

D

S

V

T

Y

A

P

G

L

L

A

T

-

Y

-

F

-

N

-

T

T

T

A

P

L

I

G

G

R
|
R

P

A

I

V

L

T

A

G

K

T

A

M

L

L

V

V

D

A

V

A

A

M

L

K

A

E

E

D

G

G

C

V

T

N

M

I

L

W

T

G

H

D

G

G

C

S

T

T

G

F

K

K

G

G

N

N

D
|
D

Q

I

V

E

R

R

F

F

E

Y

V

R

T

Y

F

G

A

L

S

L

L

T

A

N

P

P

H

D

M

L

K

K

V

I

V

Y

A

K

P

P

L

W

R

L

E

D

W

Q

E

T

F

F

T

I

-

D

-

E

-

L

-

G

S

G

R

R

E

A

Q

E

E

M

I

S

T

E

Y

Y

A

M

L

R

E

Q

H

A

N

G

I

F

P

D

V

Y

S

K

A

M

T

S

K

A

K

E

N

K

P

A

Y

Y

S
|
S

I

T

D

D

E

S

N

N

I

M

W

L

G

G

I

A

S

T

I

H

E

E

C

A

G

K

V

D

L

L

E

E

-

L

-

S

-

A

-

G

-

I

-

R

-

I

-

V

D

Q

P

P

M

I

-

M

-

G

V

V

P

A

P

F

P

W

A

Q

D

D

A

S

Y

V

Q

Q

I

I

T

-

S

-

P

-

E

-

A

-

P

-

D

-

K

K

P

A

T

E

V

E

V

V

D

T

I

V

D

R

F

F

V

E

E

E

G

G

I

Q

P

P

V

V

A

A

L

L

D

N

G

G

-

V

Q

E

Q

Y

M

A

E

D

G

P

L

V

D

E

L

L

I

L

V

L

K

E

L

A

N

N

E

R

L

I

G

G

A

G

M

R

N

H

G

G

V

L

G

G

R

M

L

S

D

D

M

Q

I

I

E

E

N

N

R

R

V

I

G

E

I

A

K

K

S

S

R

R

E

G

I

I

Y

Y

E

E

A

A

P

P

A

G

A

L

T

A

I

L

L

L

H

F

F

I

A

A

H

Y

R

-

E

-

L

-

E

E

R

R

L

L

T

V

L

T

-

G

-

I

-

H

-

N

E

E

K

D

S

T

V

I

F
x
E

Q

Q

Y

Y

K
x
R

R
x
E

N

N

I

-

G

G

Q
x
R

D
x
K

Y

L

A

G

N

R

I

L

Y

Y

N

Q

G

G

T

R

W

W

F

F

S

D

P

P

-

Q

-

A

-

I

-

M

M

L

R

R

E

E

A

T

L

A

D

Q

A

R

F

W

V

V

D

-

V

-

T

-

Q

A

K

R

P

A

V

I

T

T

G

G

M

E

V

V

R

T

L

L

K

E

L

L

Y

R

K

R

G

G

N

N

-

D

V

Y

T

S

L

L

G

N

R

T

T

E

S

S

P

A

N

N

S

L

L

T

Y

Y

N

A

E

P

E

E

active site: D26 (= D15), R110 (= R96), D139 (= D125), S195 (= S177)
binding adenosine: E321 (≠ F299), R324 (≠ K302), E325 (≠ R303), R328 (≠ Q307), K329 (≠ D308)

6e5yA 1.50 angstrom resolution crystal structure of argininosuccinate synthase from bordetella pertussis in complex with amp.
32% identity, 90% coverage: 4:365/401 of query aligns to 11:384/438 of 6e5yA

query
sites
6e5yA

E

Q

K

K

I

V

A

G

V

I

A
|
A

Y

F

S

S

G

G

L

L

D
|
D

T

T

S

S

V

A

M

A

I

L

K

L

W

W

L

M

K

R

D

Q

K

K

Y

-

E

-

G

G

A

A

E

V

I

P

V

Y

A

A

V

Y

T
|
T

G
x
A

N

N

L

L

G

G

Q

Q

K

P

M

D

E

E

-

P

-

D

V

Y

D

D

N

E

L

I

E

P

P

R

K

R

A

A

L

M

A

Q

T

Y

G

G

A

A

A

E

S

A

F

A

H

R

F

L

V

V

D

D

L

C

R

R

K

A

T

Q

F

L

V

V

E

A

D

E

C

G

I

I

W

-

K

A

A

A

L

L

K

Q

A

A

G

G

A

A

L

F

Y

H

E

I

D

S

V

T

Y

A

P

G

L

L

A

T

-

Y

-

F

-

N

-

T

T

T

A

P

L

I

G

G

R
|
R

P

A

I

V

L

T

A

G

K

T

A

M

L

L

V

V

D

A

V

A

A

M

L

K

A

E

E

D

G

G

C

V

T

N

M

I

L

W

T

G

H

D

G

G

C

S

T

T

G

F

K

K

G

G

N

N

D
|
D

Q

I

V

E

R

R

F

F

E

Y

V

R

T

Y

F

G

A

L

S

L

L

T

A

N

P

P

H

D

M

L

K

K

V

I

V

Y

A

K

P

P

L

W

R

L

E

D

W

Q

E

T

F

F

T

I

-

D

-

E

-

L

-

G

S

G

R

R

E

A

Q

E

E

M

I

S

T

E

Y

Y

A

M

L

R

E

Q

H

A

N

G

I

F

P

D

V

Y

S

K

A

M

T

S

K

A

K

E

N

K

P

A

Y

Y

S
|
S

I

T

D
|
D

E

S

N

N

I

M

W

L

G

G

I

A

S

T

I

H

E

E

C

A

G

K

V

D

L

L

E

E

-

L

-

S

-

A

-

G

-

I

-

R

-

I

-

V

D

Q

P

P

M

I

-

M

-

G

V

V

P

A

P

F

P

W

A

Q

D

D

A

S

Y

V

Q

Q

I

I

T

-

S

-

P

-

E

-

A

-

P

-

D

-

K

K

P

A

T

E

V

E

V

V

D

T

I

V

D

R

F

F

V

E

E

E

G

G

I

Q

P

P

V

V

A

A

L

L

D

N

G

G

-

V

Q

E

Q

Y

M

A

E

D

G

P

L

V

D

E

L

L

I

L

V

L

K

E

L

A

N

N

E

R

L

I

G

G

A

G

M

R

N

H

G

G

V

L

G

G

R

M

L

S

D

D

M

Q

I

I

E

E

N

N

R

R

V

I

G

E

I

A

K

K

S

S

R

R

E

G

I

I

Y

Y

E

E

A

A

P

P

A

G

A

L

T

A

I

L

L

L

H

F

F

I

A

A

H

Y

R

-

E

-

L

-

E

E

R

R

L

L

T

V

L

T

-

G

-

I

-

H

-

N

E

E

K

D

S

T

V

I

F

E

Q

Q

Y

Y

K

R

R

E

N

N

I

-

G

G

Q

R

D

K

Y

L

A

G

N

R

I

L

Y

Y

N

Q

G

G

T

R

W

W

F

F

S

D

P

P

-

Q

-

A

-

I

-

M

M

L

R

R

E

E

A

T

L

A

D

Q

A

R

F

W

V

V

D

-

V

-

T

-

Q

A

K

R

P

A

V

I

T

T

G

G

M

E

V

V

R

T

L

L

K

E

L

L

Y

R

K

R

G

G

N

N

-

D

V

Y

T

S

L

L

G

N

R

T

T

E

S

S

P

A

N

N

S

L

L

T

Y

Y

N

A

E

P

E

E

active site: D22 (= D15), R106 (= R96), D135 (= D125), S191 (= S177)
binding adenosine monophosphate: A16 (= A9), T41 (= T36), A42 (≠ G37), D193 (= D179)

P0A6E4 Argininosuccinate synthase; Citrulline--aspartate ligase; EC 6.3.4.5 from Escherichia coli (strain K12) (see 4 papers)
30% identity, 93% coverage: 4:374/401 of query aligns to 12:394/447 of P0A6E4

query
sites
P0A6E4

E

Q

K

R

I

I

A

G

V

I

A
|
A

Y
x
F

S
|
S

G
|
G

L
|
L

D
|
D

T
|
T

S
|
S

V

A

M

A

I

L

K

L

W

W

L

M

K

R

D

Q

K

K

Y

-

E

-

G

G

A

A

E

V

I

P

V

Y

A

A

V

Y

T

T

G
x
A

N

N

L

L

G

G

Q

Q

K

P

M

D

E

E

-

E

-

D

V

Y

D

D

N

A

L

I

E

P

P

R

K

R

A

A

L

M

A

E

T

Y

G

G

A

A

A

E

S

N

F

A

H

R

F

L

V

I

D

D

L

C

R

R

K

K

T

Q

F

L

V

V

E

A

D

E

C

G

I

I

W

-

K

A

A

A

L

I

K

Q

A

C

G

G

A

A

L

F

Y

H

E

N

D

T

V

T

-

G

-

L

-

T

Y
|
Y

P

F

L

N

A

T

T

T

A

P

L

L

G

G

R

R

P

A

I

V

L

T

A

G

K

T

A

M

L

L

V

V

D

A

V

A

A

M

L

K

A

E

E

D

G

G

C

V

T

N

M

I

L

W

T

G

H

D

G
|
G

C

S

T
|
T

G

Y

K

K

G

G

N
|
N

D
|
D

Q

I

V

E

R
|
R

F

F

E

Y

V

R

T

Y

F

G

A

L

S

L

L

T

A

N

P

A

H

E

M

L

K

Q

V

I

V

Y

A

K

P

P

L

W

R

L

E

D

W

T

E

D

F

F

T

I

-

D

-

E

-

L

-

G

S

G

R

R

E

H

Q

E

E

M

I

S

T

E

Y

F

A

M

L

I

E

A

H

C

N

G

I

F

P

D

V

Y

S

K

A

M

T

S

K

V

K

E

N

K

P

A

Y

Y

S
|
S

I

T

D
|
D

E

S

N

N

I

M

W

L

G

G

I

A

S
x
T

I

H

E
|
E

C

A

G

K

V

D

L

L

E

E

-

Y

-

L

-

N

-

S

D

S

P

V

M

K

V

I

P

V

P

N

P

P

A

I

D

M

A

G

Y

V

Q

K

I

F

T

W

T

D

S

E

P

S

E

V

E

K

A

I

P

P

D

A

K

E

P

E

T

-

V

-

V

V

D

T

I

V

D

R

F

F

V

E

E

Q

G

G

I

H

P

P

V

V

A

A

L

L

D

N

G

G

Q

K

Q

T

M

F

-

S

E

D

G

D

L

V

D

E

L

M

I

M

V

L

K

E

L

A

N

N

E

R

L

I

G

G

A

G

M

R

N

H

G

G

V

L

G

G

R

M

L

S

D

D

M

Q

I

I

E
|
E

N

N

R

R

V

I

G

E

I

A

K

K

S

S

R

R

E

G

I

I

Y

Y

E

E

A

A

P

P

A

G

A

M

T

A

I

L

L

L

H

H

F

I

A

A

H

Y

-

E

R

R

E

L

L

L

E

T

R

G

L

I

T

H

L

N

E

E

K

D

S

T

V

I

F

E

Q

Q

Y

Y

K

H

R

A

N

H

I

-

G

G

Q

R

D

Q

Y

L

A

G

N

R

I

L

Y

Y

N

Q

G

G

T

R

W

W

F

F

S

D

P

S

-

Q

-

A

-

L

-

M

M

L

R

R

E

D

A

S

L

L

D

Q

A

R

F

W

V

V

D

-

V

-

T

-

Q

A

K

S

P

Q

V

I

T

T

G

G

M

E

V

V

R

T

L

L

K

E

L

L

Y

R

K

R

G

G

N

N

-

D

V

Y

T

S

L

I

L

L

G

N

R

T

T

V

S

S

P

E

N

N

S

L

L

T

Y

Y

N

K

E

P

E

E

L

R

A

L

T

T

Y

M

T

E

E

K

A

G

D

D

T

S

17:25 (vs. 9:17, 89% identical) binding ATP
A43 (≠ G37) binding ATP
Y99 (= Y88) binding L-citrulline
G129 (= G118) binding ATP
T131 (= T120) binding ATP; binding L-aspartate
N135 (= N124) binding L-aspartate; binding L-citrulline
D136 (= D125) binding ATP; binding L-aspartate
R139 (= R128) binding L-citrulline
S192 (= S177) binding L-citrulline
D194 (= D179) binding ATP
T201 (≠ S186) binding L-citrulline
E203 (= E188) binding L-citrulline
E280 (= E262) binding L-citrulline

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

1kp3A Crystal structure of e. Coli argininosuccinate synthetase in complex with atp and citrulline (see paper)
29% identity, 92% coverage: 4:373/401 of query aligns to 11:392/439 of 1kp3A

query
sites
1kp3A

E

Q

K

R

I

I

A

G

V

I

A
|
A

Y

F

S
|
S

G

G

G
|
G

L

L

D
|
D

T
|
T

S

S

V

A

M

A

I

L

K

L

W

W

L

M

K

R

D

Q

K

K

Y

-

E

-

G

G

A

A

E

V

I

P

V

Y

A

A

V

Y

T
|
T

G
x
A

N

N

L

L

G

G

Q

Q

K

P

M

D

E

E

-

E

-

D

V

Y

D

D

N

A

L

I

E

P

P

R

K

R

A

A

L

M

A

E

T

Y

G

G

A

A

A

E

S

N

F

A

H

R

F

L

V

I

D

D

L

C

R

R

K

K

T

Q

F

L

V

V

E

A

D

E

C

G

I

I

W

-

K

A

A

A

L

I

K

Q

A

C

G

G

A

A

L

F

Y

H

E

N

D

T

V

T

-

G

-

L

-

T

Y
|
Y

P

F

L

N

A

T

T
|
T

A
x
P

L

L

G

G

R
|
R

P

A

I

V

L

T

A

G

K

T

A

M

L

L

V

V

D

A

V

A

A

M

L

K

A

E

E

D

G

G

C

V

T

N

M

I

L

W

T

G

H
x
D

G
|
G

C
x
S

T
|
T

G

Y

K

K

G
|
G

N
|
N

D
|
D

Q

I

V

E

R
|
R

F
|
F

E

Y

V

R

T

Y

F

G

A

L

S

L

L

T

A

N

P

A

H

E

M

L

K

Q

V

I

V

Y

A

K

P

P

L

W

R

L

E

D

W

T

E

D

F

F

T

I

-

D

-

E

-

L

-

G

S

G

R

R

E

H

Q

E

E

M

I

S

T

E

Y

F

A

M

L

I

E

A

H

C

N

G

I

F

P

D

V

Y

S

K

A

M

T

S

K

V

K

E

N

K

P

A

Y

Y

S
|
S

I

T

D
|
D

E

S

N

N

I

M

W

L

G

G

I

A

S
x
T

I

H

E
|
E

C

A

G

K

V

D

L

L

E

E

-

Y

-

L

-

N

-

S

D

S

P

V

M

K

V

I

P

V

P

N

P

P

A

I

D

M

A

G

Y

V

Q

K

I

F

T

W

T

D

S

E

P

S

E

V

E

K

A

I

P

P

D

A

K

E

P

E

T

-

V

-

V

V

D

T

I

V

D

R

F

F

V

E

E

Q

G

G

I

H

P

P

V

V

A

A

L

L

D

N

G

G

Q

K

Q

T

M

F

-

S

E

D

G

D

L

V

D

E

L

M

I

M

V

L

K

E

L

A

N

N

E

R

L

I

G

G

A

G

M

R

N

H

G

G

V

L

G

G

R

M

L

S

D

D

M

Q

I

I

E
|
E

N

N

R

R

V

I

G

E

I

A

K

K

S
|
S

R

R

E

G

I

I

Y
|
Y

E

E

A

A

P

P

A

G

A

M

T

A

I

L

L

L

H

H

F

I

A

A

H

Y

-

E

R

R

E

L

L

L

E

T

R

G

L

I

T

H

L

N

E

E

K

D

S

T

V

I

F

E

Q

Q

Y

Y

K

H

R

A

N

H

I

-

G

G

Q

R

D

Q

Y

L

A

G

N

R

I

L

Y

Y

N

Q

G

G

T

R

W

W

F

F

S

D

P

S

-

Q

-

A

-

L

-

M

M

L

R

R

E

D

A

S

L

L

D

Q

A

R

F

W

V

V

D

-

V

-

T

-

Q

A

K

S

P

Q

V

I

T

T

G

G

M

E

V

V

R

T

L

L

K

E

L

L

Y

R

K

R

G

G

N

N

-

D

V

Y

T

S

L

I

L

L

G

N

R

T

T

V

S

S

P

E

N

N

S

L

L

T

Y

Y

N

K

E

P

E

E

L

R

A

S

T

V

Y

F

T

S

E

P

A

D

D

D

active site: D22 (= D15), R106 (= R96), D135 (= D125), S191 (= S177)
binding adenosine-5'-triphosphate: A16 (= A9), S18 (= S11), G20 (= G13), D22 (= D15), T23 (= T16), T41 (= T36), A42 (≠ G37), D127 (≠ H117), G128 (= G118), S129 (≠ C119), F139 (= F129), D193 (= D179)
binding citrulline: Y98 (= Y88), T102 (= T92), P103 (≠ A93), T130 (= T120), G133 (= G123), N134 (= N124), D135 (= D125), R138 (= R128), D193 (= D179), T200 (≠ S186), E202 (= E188), E202 (= E188), E279 (= E262), S287 (= S270), Y291 (= Y274)

1k97A Crystal structure of e. Coli argininosuccinate synthetase in complex with aspartate and citrulline (see paper)
30% identity, 90% coverage: 4:365/401 of query aligns to 11:384/432 of 1k97A

query
sites
1k97A

E

Q

K

R

I

I

A

G

V

I

A

A

Y

F

S

S

G

G

L

L

D
|
D

T

T

S

S

V

A

M

A

I

L

K

L

W

W

L

M

K

R

D

Q

K

K

Y

-

E

-

G

G

A

A

E

V

I

P

V

Y

A

A

V

Y

T

T

G

A

N

N

L

L

G

G

Q

Q

K

P

M

D

E

E

-

E

-

D

V

Y

D

D

N

A

L

I

E

P

P

R

K

R

A

A

L

M

A

E

T

Y

G

G

A

A

A

E

S

N

F

A

H

R

F

L

V

I

D

D

L

C

R

R

K

K

T

Q

F

L

V

V

E

A

D

E

C

G

I

I

W

-

K

A

A

A

L

I

K

Q

A

C

G

G

A

A

L

F

Y

H

E

N

D

T

V

T

-

G

-

L

-

T

Y
|
Y

P

F

L

N

A

T

T
|
T

A
x
P

L

L

G

G

R
|
R

P

A

I

V

L

T

A

G

K

T

A

M

L

L

V

V

D

A

V

A

A

M

L

K

A

E

E

D

G

G

C

V

T

N

M

I

L

W

T

G

H

D

G

G

C
x
S

T
|
T

G

Y

K

K

G
|
G

N
|
N

D
|
D

Q

I

V

E

R
|
R

F

F

E

Y

V

R

T

Y

F

G

A

L

S

L

L

T

A

N

P

A

H

E

M

L

K

Q

V

I

V

Y

A

K

P

P

L

W

R

L

E

D

W

T

E

D

F

F

T

I

-

D

-

E

-

L

-

G

S

G

R

R

E

H

Q

E

E

M

I

S

T

E

Y

F

A

M

L

I

E

A

H

C

N

G

I

F

P

D

V

Y

S

K

A

M

T

S

K

V

K

E

N

K

P

A

Y

Y

S
|
S

I
x
T

D
|
D

E

S

N

N

I

M

W

L

G

G

I

A

S
x
T

I

H

E
|
E

C

A

G

K

V

D

L

L

E

E

-

Y

-

L

-

N

-

S

D

S

P

V

M

K

V

I

P

V

P

N

P

P

A

I

D

M

A

G

Y

V

Q

K

I

F

T

W

T

D

S

E

P

S

E

V

E

K

A

I

P

P

D

A

K

E

P

E

T

-

V

-

V

V

D

T

I

V

D

R

F

F

V

E

E

Q

G

G

I

H

P

P

V

V

A

A

L

L

D

N

G

G

Q

K

Q

T

M

F

-

S

E

D

G

D

L

V

D

E

L

M

I

M

V

L

K

E

L

A

N

N

E

R

L

I

G

G

A

G

M

R

N

H

G

G

V

L

G

G

R

M

L

S

D

D

M

Q

I

I

E
|
E

N

N

R

R

V

I

G

E

I

A

K

K

S

S

R

R

E

G

I

I

Y
|
Y

E

E

A

A

P

P

A

G

A

M

T

A

I

L

L

L

H

H

F

I

A

A

H

Y

-

E

R

R

E

L

L

L

E

T

R

G

L

I

T

H

L

N

E

E

K

D

S

T

V

I

F

E

Q

Q

Y

Y

K

H

R

A

N

H

I

-

G

G

Q

R

D

Q

Y

L

A

G

N

R

I

L

Y
|
Y

N

Q

G

G

T

R

W

W

F

F

S

D

P

S

-

Q

-

A

-

L

-

M

M

L

R

R

E

D

A

S

L

L

D

Q

A

R

F

W

V

V

D

-

V

-

T

-

Q

A

K

S

P

Q

V

I

T

T

G

G

M

E

V

V

R

T

L

L

K

E

L

L

Y

R

K

R

G

G

N

N

-

D

V

Y

T

S

L

I

L

L

G

N

R

T

T

V

S

S

P

E

N

N

S

L

L

T

Y

Y

N

K

E

P

E

E

active site: D22 (= D15), R106 (= R96), D135 (= D125), S191 (= S177)
binding aspartic acid: S129 (≠ C119), T130 (= T120), G133 (= G123), N134 (= N124), D135 (= D125)
binding citrulline: Y98 (= Y88), T102 (= T92), P103 (≠ A93), R138 (= R128), S191 (= S177), T192 (≠ I178), D193 (= D179), T200 (≠ S186), E202 (= E188), E279 (= E262), Y291 (= Y274), Y331 (= Y314)

Query Sequence

>WP_012502227.1 NCBI__GCF_000020505.1:WP_012502227.1
MSKEKIAVAYSGGLDTSVMIKWLKDKYEGAEIVAVTGNLGQKMEVDNLEPKALATGAASF
HFVDLRKTFVEDCIWKALKAGALYEDVYPLATALGRPILAKALVDVALAEGCTMLTHGCT
GKGNDQVRFEVTFASLAPHMKVVAPLREWEFTSREQEITYALEHNIPVSATKKNPYSIDE
NIWGISIECGVLEDPMVPPPADAYQITTSPEEAPDKPTVVDIDFVEGIPVALDGQQMEGL
DLIVKLNELGAMNGVGRLDMIENRVVGIKSREIYEAPAATILHFAHRELERLTLEKSVFQ
YKRNIGQDYANIIYNGTWFSPMREALDAFVDVTQKPVTGMVRLKLYKGNVTLLGRTSPNS
LYNEELATYTEADTFNHKAAEGFIQLYGLGLKTYSEVNLGK

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