SitesBLAST

7k5zA Crystal structure of argininosuccinate synthase from legionella pneumophila philadelphia 1 in complex with anppnp and a substrate analogue arginine
52% identity, 97% coverage: 4:391/398 of query aligns to 5:379/390 of 7k5zA

query
sites
7k5zA

K

K

V

I

V

A

L

L

A
|
A

Y
|
Y

S
|
S

G

G

L

L

D
|
D

T

T

S

S

I

I

I

M

I

I

P

P

W

W

L

L

K

K

E

E

N

H

Y

Y

D

E

-

H

L

A

E

E

V

V

I

I

A

A

A

V

C

I

M
x
C

D

D

V

L

G

G

Q

Q

G

Q

D

E

D

D

L

L

K

D

A

A

V

I

E

K

E

N

K

K

A

A

I

L

R

K

T

S

G

G

A

A

S

S

K

K

V

A

Y

Y

V

V

E

V

D

D

L

V

K

K

A

N

E

E

F

F

V

A

K

T

E

Q

Y

Y

L

L

F

W

K

P

A

L

V

V

K

K

A

S

H

G

L

A

V

L

Y

Y

E

E

D

D

E

Q

Y
|
Y

L

I

L

L

G

G

T
|
T

S

-

L

I

A

S

R
|
R

P

P

L

L

M

I

S

A

K

Q

R

K

L

L

V

V

E

E

I

I

A

A

H

L

K

T

E

E

G

Q

A

V

K

N

Y

A

I

V

A

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

T

Y

G

S

I

I

A

K

S

A

F

L

D

A

P

P

T

Q

I

L

Q

E

I

I

A

A

P

P

W

W

R

R

L

T

W

W

D

D

I

I

E

K

S

S

R

R

E

Q

D

E

A

A

I

I

D

V

Y

Y

A

A

H

K

A

A

K

H

G

G

V

I

E

E

V

V

T

P

A

V

T

T

K

P

K

K

K

A

I

P

Y

Y

S
|
S

E

R

D

D

K

H

N

N

V

I

W

W

H

Y

V

I

S
|
S

H

H

E
|
E

G

G

D

V

L

L

E

E

D

D

P

P

R

S

N

Q

E

E

H

M

K

P

R

N

S

D

M

V

Y

L

S

L

M

M

T

T

T

A

P

P

V

V

E

S

E

Q

A

T

P

P

D

D

K

E

P

E

E

E

Y

V

I

V

E

V

I

L

Y

D

F

F

E

K

Q

K

G

G

V

V

P

P

K

V

K

A

L

L

D

N

G

G

K

Q

E

E

L

L

E

S

P

P

L

V

E

D

L

L

T

N

K

S

L

L

N

N

E

Q

I

K

A

A

G

G

R

Q

N

H

G

G

V

I

G

G

I

V

I

A

D

D

I

I

V

V

E
|
E

N

N

R

R

L

L

V

V

G

G

M

M

K

K

S

I

R

R

G

G

V

I

Y
|
Y

E

E

T

A

P

P

G

A

T

A

V

V

L

L

Y

Y

A

K

A

A

H

H

R

K

C

L

L

L

E

E

R

S

I

L

T

C

I

L

D

T

K

R

N

S

T

T

Y

L

H

H

Y

L

K

K

Q

Q

V

S

I

L

S

Q

Q

Q

K

T

Y

Y

S

A

E

N

L

L

V

V

Y

Y

D

E

G

G

L

R

W

W

F

F

T

S

P

Q

L

T

R

K

E

Q

A

A

L

L

D

D

A

A

F

F

V

I

E

D

S

V

T

T

Q

Q

S

Q

N

H

V

V

T

T

G

G

S

C

V

V

K

K

L

L

K

K

I

L

Y

F

K

K

G

G

N

N

V

I

I

I

T

P

A

A

G

G

T

M

D

H

A

S

K

P

K

Y

P

S

L

L

Y

H

N

H

E

Q

S

-

I

-

S

-

F

-

G

-

A

-

S

-

N

-

L

-

Y

-

D

-

H

-

K

K

D

D

A

A

A

E

G

G

F

F

I

I

K

N

I

L

F

F

T

S

L

L

P

S

S

A

K

K

I

I

active site: D15 (= D14), R95 (= R94), D124 (= D123), S176 (= S175)
binding phosphoaminophosphonic acid-adenylate ester: A9 (= A8), Y10 (= Y9), S11 (= S10), C37 (≠ M35), G117 (= G116), F128 (= F127)
binding arginine: Y88 (= Y86), T92 (= T90), D124 (= D123), R127 (= R126), S185 (= S184), E187 (= E186), E261 (= E260), Y273 (= Y272)

1j20A Crystal structure of thermus thermophilus hb8 argininosuccinate synthetase in complex with product (see paper)
54% identity, 99% coverage: 4:397/398 of query aligns to 2:386/386 of 1j20A

query
sites
1j20A

K

K

V

I

V

V

L

L

A
|
A

Y

Y

S

S

G

G

L

L

D
|
D

T
|
T

S

S

I

I

I

L

P

K

W

W

L

L

K

K

E

E

N

T

Y

Y

D

R

L

A

E

E

V

V

I

I

A

A

A

F

C

T

M
x
A

D

D

V

I

G

G

Q

Q

G

G

D

E

L

V

K

E

A

E

V

A

E

R

E

E

K

K

A

A

I

L

R

R

T

T

G

G

A

A

S

S

K

K

V

A

Y

I

V

A

E

L

D

D

L

L

K

K

A

E

E

E

F

F

V

V

K

R

E

D

Y

F

L

V

F

F

K

P

A

M

V

M

K

R

A

A

H

G

L

A

V

V

Y

Y

E

E

D

G

E

Y

Y
|
Y

L

L

G

G

T
|
T

S

S

L

I

A

A

R
|
R

P

P

L

L

M

I

S

A

K

K

R

H

L

L

V

V

E

R

I

I

A

A

H

E

K

E

E

E

G

G

A

A

K

E

Y

A

I

I

A

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

T

L

G

T

I

A

A

Y

S

A

F

L

D

K

P

P

T

D

I

I

Q

K

I

V

I

I

A

A

P

P

W

W

R

R

L

E

W

W

D

S

I

F

E

Q

S

G

R

R

E

K

D

E

A

M

I

I

D

A

Y

Y

A

A

H

E

A

A

K

H

G

G

V

I

E

P

V

V

T

P

A

P

T

-

K

-

I

-

Y

Y

S
|
S

E

M

D

D

K

A

N

N

V

L

W

L

H

H

V

I

S
|
S

H

Y

E
|
E

G

G

D

V

L

L

E

E

D

D

P

P

R

W

N

A

E

E

H

P

K

P

R

K

S

G

M

M

Y

F

S

R

M

M

T

T

T

Q

P

D

V

P

E

E

A

A

P

P

D

D

K

A

P

P

E

E

Y

Y

I

V

E

E

I

V

Y

E

F

F

E

F

Q

E

G

G

V

D

P

P

K

V

K

A

L

V

D

N

G

G

K

E

E

R

L

L

E

S

P

P

L

A

E

A

L

L

T

Q

K

R

L

L

N

N

E

E

I

I

A

G

G

G

R

R

N

H

G

G

V

V

G

G

I

R

I

V

D

D

I

I

V

V

E
|
E

N

N

R

R

L

F

V

V

G

G

M

M

K

K

S

S

R

R

G

G

V

V

Y
|
Y

E

E

T

T

P

P

G

G

T

T

V

I

L

L

Y

Y

A

H

A

A

H

R

R

R

C

A

L

V

E

E

R

S

I

L

T

T

I

L

D

D

K

R

N

E

T

V

Y

L

H

H

Y

Q

K

R

Q

D

V

M

I

L

S

S

Q

P

K

K

Y

Y

S

A

E

E

L

L

V

V

Y

Y

D

Y

G

G

L

F

W

W

F

Y

T

A

P

P

L

E

R

R

E

E

A

A

L

L

D

Q

A

A

F

Y

V

F

E

D

S

H

T

V

Q

A

S

R

N

S

V

V

T

T

G

G

S

V

V

A

K

R

L

L

K

K

I

L

Y

Y

K

K

G

G

N

N

V

V

I

Y

T

V

A

V

G

G

T

R

D

K

A

A

K

P

K

K

P

S

L

L

Y

Y

N

R

E

Q

S

D

I

L

S

V

S

S

F

F

G

G

A

-

S

-

N

-

L

-

Y

Y

D

D

H

Q

K

K

D

D

A

A

A

E

G

G

F

F

I

I

K

K

I

I

F

Q

T

A

L

L

P

R

S

L

K

R

I

V

K

R

A

A

M

L

A

V

D

E

K

R

active site: D12 (= D14), R92 (= R94), D121 (= D123), S168 (= S175)
binding adenosine monophosphate: A6 (= A8), T13 (= T15), A33 (≠ M35), R92 (= R94), H113 (= H115), G114 (= G116), F125 (= F127)
binding argininosuccinate: Y84 (= Y86), T88 (= T90), A115 (≠ C117), T116 (= T118), G119 (= G121), N120 (= N122), D121 (= D123), R124 (= R126), S177 (= S184), E179 (= E186), E253 (= E260), Y265 (= Y272)

1j1zA Crystal structure of thermus thermophilus hb8 argininosuccinate synthetase in complex with substrate (see paper)
54% identity, 99% coverage: 4:397/398 of query aligns to 2:386/386 of 1j1zA

query
sites
1j1zA

K

K

V

I

V

V

L

L

A
|
A

Y

Y

S

S

G

G

L

L

D
|
D

T
|
T

S

S

I

I

I

L

P

K

W

W

L

L

K

K

E

E

N

T

Y

Y

D

R

L

A

E

E

V

V

I

I

A

A

A

F

C

T

M
x
A

D

D

V

I

G

G

Q

Q

G

G

D

E

L

V

K

E

A

E

V

A

E

R

E

E

K

K

A

A

I

L

R

R

T

T

G

G

A

A

S

S

K

K

V

A

Y

I

V

A

E

L

D

D

L

L

K

K

A

E

E

E

F

F

V

V

K

R

E

D

Y

F

L

V

F

F

K

P

A

M

V

M

K

R

A

A

H

G

L

A

V

V

Y

Y

E

E

D

G

E

Y

Y
|
Y

L

L

G

G

T
|
T

S

S

L

I

A

A

R
|
R

P

P

L

L

M
x
I

S

A

K

K

R

H

L

L

V

V

E

R

I

I

A

A

H

E

K

E

E

E

G

G

A

A

K

E

Y

A

I

I

A

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

T

L

G

T

I

A

A

Y

S

A

F

L

D

K

P

P

T

D

I

I

Q

K

I

V

I

I

A

A

P

P

W

W

R

R

L

E

W

W

D

S

I

F

E

Q

S

G

R

R

E

K

D

E

A

M

I

I

D

A

Y

Y

A

A

H

E

A

A

K

H

G

G

V

I

E

P

V

V

T

P

A

P

T

-

K

-

I

-

Y

Y

S
|
S

E
x
M

D

D

K

A

N

N

V

L

W

L

H

H

V

I

S
|
S

H

Y

E
|
E

G

G

D

V

L

L

E

E

D

D

P

P

R

W

N

A

E

E

H

P

K

P

R

K

S

G

M

M

Y

F

S

R

M

M

T

T

T

Q

P

D

V

P

E

E

A

A

P

P

D

D

K

A

P

P

E

E

Y

Y

I

V

E

E

I

V

Y

E

F

F

E

F

Q

E

G

G

V

D

P

P

K

V

K

A

L

V

D

N

G

G

K

E

E

R

L

L

E

S

P

P

L

A

E

A

L

L

T

Q

K

R

L

L

N

N

E

E

I

I

A

G

G

G

R

R

N

H

G

G

V

V

G

G

I

R

I

V

D

D

I

I

V

V

E
|
E

N

N

R

R

L

F

V

V

G

G

M

M

K

K

S

S

R

R

G

G

V

V

Y
|
Y

E

E

T

T

P

P

G

G

T

T

V

I

L

L

Y

Y

A

H

A

A

H

R

R

R

C

A

L

V

E

E

R

S

I

L

T

T

I

L

D

D

K

R

N

E

T

V

Y

L

H

H

Y

Q

K

R

Q

D

V

M

I

L

S

S

Q

P

K

K

Y

Y

S

A

E

E

L

L

V

V

Y

Y

D

Y

G

G

L

F

W

W

F

Y

T

A

P

P

L

E

R

R

E

E

A

A

L

L

D

Q

A

A

F

Y

V

F

E

D

S

H

T

V

Q

A

S

R

N

S

V

V

T

T

G

G

S

V

V

A

K

R

L

L

K

K

I

L

Y

Y

K

K

G

G

N

N

V

V

I

Y

T

V

A

V

G

G

T

R

D

K

A

A

K

P

K

K

P

S

L

L

Y

Y

N

R

E

Q

S

D

I

L

S

V

S

S

F

F

G

G

A

-

S

-

N

-

L

-

Y

Y

D

D

H

Q

K

K

D

D

A

A

A

E

G

G

F

F

I

I

K

K

I

I

F

Q

T

A

L

L

P

R

S

L

K

R

I

V

K

R

A

A

M

L

A

V

D

E

K

R

active site: D12 (= D14), R92 (= R94), D121 (= D123), S168 (= S175)
binding aspartic acid: A115 (≠ C117), T116 (= T118), G119 (= G121), N120 (= N122), D121 (= D123)
binding adenosine-5'-triphosphate: A6 (= A8), T13 (= T15), A33 (≠ M35), R92 (= R94), I95 (≠ M97), H113 (= H115), G114 (= G116), F125 (= F127)
binding citrulline: Y84 (= Y86), T88 (= T90), R124 (= R126), S168 (= S175), M169 (≠ E176), S177 (= S184), E179 (= E186), E253 (= E260), Y265 (= Y272)

1kh3A Crystal structure of thermus thermophilus hb8 argininosuccinate synthetase in complex with inhibitor (see paper)
53% identity, 99% coverage: 4:397/398 of query aligns to 2:380/380 of 1kh3A

query
sites
1kh3A

K

K

V

I

V

V

L

L

A
|
A

Y

Y

S

S

G

G

L

L

D
|
D

T
|
T

S

S

I

I

I

L

P

K

W

W

L

L

K

K

E

E

N

T

Y

Y

D

R

L

A

E

E

V

V

I

I

A

A

A

F

C
x
T

M
x
A

D

D

V

I

G

G

Q

Q

G

G

D

E

L

V

K

E

A

E

V

A

E

R

E

E

K

K

A

A

I

L

R

R

T

T

G

G

A

A

S

S

K

K

V

A

Y

I

V

A

E

L

D

D

L

L

K

K

A

E

E

E

F

F

V

V

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R

E

D

Y

F

L

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F

F

K

P

A

M

V

M

K

R

A

A

H

G

L

A

V

V

Y

Y

E

E

D

G

E

Y

Y
|
Y

L

L

G

G

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T

S

S

L

I

A

A

R
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R

P

P

L

L

M

I

S

A

K

K

R

H

L

L

V

V

E

R

I

I

A

A

H

E

K

E

E

E

G

G

A

A

K

E

Y

A

I

I

A

A

H
|
H

G
|
G

C
x
A

T
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T

G

G

K

K

G
|
G

N
|
N

D
|
D

Q

Q

V

V

R
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R

F
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F

E

E

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L

G

T

I

A

A

Y

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A

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I

I

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Y

A

A

H

E

A

A

K

H

G

G

V

I

E

P

V

V

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P

A

P

T

-

K

-

I

-

Y

Y

S
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S

E
x
M

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D

K

A

N

N

V

L

W

L

H

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I

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S

H

Y

E
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E

G

G

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V

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L

E

E

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D

P

P

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N

A

E

E

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M

Y

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S

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E

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A

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K

A

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F

F

E

F

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E

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P

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A

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N

G

G

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E

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R

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L

E

S

P

P

L

A

E

A

L

L

T

Q

K

R

L

L

N

N

E

E

I

I

A

G

G

G

R

R

N

H

G

G

V

V

G

G

I

R

I

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E
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E

N

N

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R

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F

V

V

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G

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M

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K

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S

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R

G

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Y
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Y

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E

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T

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P

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L

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Y

A

H

A

A

H

R

R

R

C

A

L

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E

R

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T

I

L

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N

E

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H

Y

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P

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Y

S

A

E

E

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L

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V

Y

Y

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Y

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G

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W

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A

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P

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R

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E

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A

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L

D

Q

A

A

F

Y

V

F

E

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H

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V

Q

A

S

R

N

S

V

V

T

T

G

G

S

V

V

A

K

R

L

L

K

K

I

L

Y

Y

K

K

G

G

N

N

V

V

I

Y

T

V

A

V

G

G

T

R

D

K

A

A

K

P

K

K

P

S

L

L

Y

Y

N

R

E

G

S

-

I

-

S

-

F

-

G

-

A

-

S

-

N

-

L

-

Y

Y

D

D

H

Q

K

K

D

D

A

A

A

E

G

G

F

F

I

I

K

K

I

I

F

Q

T

A

L

L

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L

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K

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A

M

L

A

V

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E

K

R

active site: D12 (= D14), R92 (= R94), D121 (= D123), S168 (= S175)
binding phosphoaminophosphonic acid-adenylate ester: A6 (= A8), T13 (= T15), T32 (≠ C34), A33 (≠ M35), H113 (= H115), G114 (= G116), F125 (= F127), S168 (= S175), M169 (≠ E176)
binding arginine: Y84 (= Y86), T88 (= T90), R124 (= R126), S168 (= S175), M169 (≠ E176), D170 (= D177), S177 (= S184), E179 (= E186), E253 (= E260), Y265 (= Y272)
binding aspartic acid: A115 (≠ C117), T116 (= T118), G119 (= G121), N120 (= N122), D121 (= D123)

P00966 Argininosuccinate synthase; Citrulline--aspartate ligase; EC 6.3.4.5 from Homo sapiens (Human) (see 16 papers)
46% identity, 97% coverage: 2:387/398 of query aligns to 4:397/412 of P00966

query
sites
P00966

K

K

D

G

K

S

V

V

L

L

A

A

Y

Y

S

S

G

G

L

L

D

D

T

T

S

S

I

C

I

I

I

L

P

V

W

W

L

L

K

K

E

E

N

Q

-

G

Y

Y

D

D

L

-

E

-

V

V

I

I

A

A

A

Y

C

L

M

A

D

N

V

I

G

G

Q

Q

G

K

D

E

D

D

L

F

K

E

A

E

V

A

E

R

E

K

K

K

A

A

I

L

R

K

T

L

G

G

A

A

S

K

K

K

V

V

Y

F

V

I

E

E

D

D

L
x
V

K

S

A

R

E

E

F

F

V

V

K

E

E

E

Y

F

L

I

F

W

K

P

A

A

V

I

K

Q

A

S

H

S

L

A

V

L

Y

Y

E

E

D

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Y
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Y

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S

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R

P
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P

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A

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E

E

G

G

A

A

K

K

Y

Y

I

V

A

S

H

H

G
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G

C
x
A

T
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T

G

G

K

K

G

G

N
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N

D
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D

Q

Q

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R

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F

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L

G

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Y

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Q

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I

A

A

P

P

W

W

R

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W

P

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E

-

F

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Y

-

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-

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R

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N

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x
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K

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x
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E

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E

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x
A

G

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L

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N

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F

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K

Q

K

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-

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G

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L

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K

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G

N

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x
Y

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A

L

G
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G

T

R

D

E

A

S

K

P

K

L

P

S

L

L

Y

Y

N

N

E

E

S

E

I

L

S

V

S

S

F

M

G

N

A

V

S

Q

N

G

L

D

Y

Y

D

E

H

P

K

T

D

D

A

A

A

T

G
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G

F

F

I

I

K

N

I

I

F

N

T

S

L

L

V64 (≠ L63) to I: in CTLN1; uncertain significance; dbSNP:rs556297791
Y87 (= Y86) binding L-citrulline
T91 (= T90) to P: in CTLN1; decreased affinity for aspartate; decreased affinity for citrulline; decreased argininosuccinate synthase activity; dbSNP:rs769018733
S92 (= S91) binding L-citrulline
R95 (= R94) to S: in CTLN1; increased thermal stability; loss of argininosuccinate synthase activity
P96 (= P95) 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 (= G116) to S: in CTLN1; decreased thermal stability; loss of argininosuccinate synthase activity; dbSNP:rs770944877
A118 (≠ C117) to T: in CTLN1; decreased thermal stability; decreased affinity for aspartate; decreased affinity for citrulline; decreased argininosuccinate synthase activity; dbSNP:rs775305020
T119 (= T118) binding L-aspartate; to I: in CTLN1; decreased thermal stability; loss of argininosuccinate synthase activity
N123 (= N122) binding L-aspartate; binding L-citrulline
D124 (= D123) binding L-aspartate; to N: in CTLN1; loss of argininosuccinate synthase activity; dbSNP:rs936192871
R127 (= R126) 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 (= R152) 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 (≠ H160) 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 (= K171) 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 (≠ Y174) to R: in CTLN1; mild; decreased affinity for aspartate; decreased affinity for citrulline; decreased argininosuccinate synthase activity; dbSNP:rs121908646
S180 (= S175) 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 (= S184) binding L-citrulline
E191 (= E186) to Q: in CTLN1; loss of argininosuccinate synthase activity
A192 (≠ G187) to V: in CTLN1; decreased protein abundance
V263 (= V253) 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 (≠ I255) to C: in CTLN1; severe clinical course; loss of argininosuccinate synthase activity; dbSNP:rs148918985
E270 (= E260) binding L-citrulline; to Q: in CTLN1; loss of argininosuccinate synthase activity; dbSNP:rs775163147
R272 (= R262) 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 (= G270) to R: in CTLN1; loss of argininosuccinate synthase activity
Y282 (= Y272) binding L-citrulline
T284 (= T274) to I: in CTLN1; mild clinical course; dbSNP:rs886039853
M302 (≠ I292) to V: in CTLN1; no effect on affinity for aspartate; no effect on affinity for citrulline; decreased argininosuccinate synthase activity
R304 (≠ K294) to W: in CTLN1; decreased protein abundance; dbSNP:rs121908642
G324 (= G314) to S: in CTLN1; loss of argininosuccinate synthase activity; dbSNP:rs121908639
G347 (= G337) to R: in CTLN1; severe clinical course
Y359 (≠ I349) to D: in CTLN1; mild clinical course
G362 (= G352) to V: in CTLN1; mild; no effect on affinity for aspartate; no effect on affinity for citrulline; decreased argininosuccinate synthase activity; dbSNP:rs121908647
G390 (= G380) to R: in CTLN1; loss of argininosuccinate synthase activity; dbSNP:rs121908641

2nz2A Crystal structure of human argininosuccinate synthase in complex with aspartate and citrulline (see paper)
46% identity, 97% coverage: 2:387/398 of query aligns to 1:392/402 of 2nz2A

query
sites
2nz2A

K

K

D

G

K

S

V

V

L

L

A

A

Y

Y

S

S

G

G

L

L

D
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D

T

T

S

S

I

C

I

I

I

L

P

V

W

W

L

L

K

K

E

E

N

Q

-

G

Y

Y

D

D

L

-

E

-

V

V

I

I

A

A

A

Y

C

L

M

A

D

N

V

I

G

G

Q

Q

G

K

D

E

D

D

L

F

K

E

A

E

V

A

E

R

E

K

K

K

A

A

I

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R

K

T

L

G

G

A

A

S

K

K

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Y

F

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E

E

D

D

L

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R

E

E

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F

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V

K

E

E

E

Y

F

L

I

F

W

K

P

A

A

V

I

K

Q

A

S

H

S

L

A

V

L

Y

Y

E

E

D

D

E

R

Y
|
Y

L

L

G

G

T
|
T

S

S

L

L

A

A

R
|
R

P

P

L

C

M

I

S

A

K

R

R

K

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Q

V

V

E

E

I

I

A

A

H

Q

K

R

E

E

G

G

A

A

K

K

Y

Y

I

V

A

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

T

L

G

S

I

C

A

Y

S

S

F

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D

A

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P

T

Q

I

I

Q

K

I

V

I

I

A

A

P

P

W

W

R

R

L

M

-

P

-

E

-

F

W

Y

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N

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K

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N

D

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Y

Y

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G

G

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P

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A

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T

K

P

K

K

K

N

I

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Y

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S
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S

E

M

D
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D

K

E

N

N

V

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M

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S

H

Y

E
|
E

G

A

G

G

D

I

L

L

E

E

D

N

P

P

R

K

N

N

E

Q

H

A

K

P

R

P

S

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M

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Y

Y

S

T

M

K

T

T

T

Q

P

D

V

P

E

A

E

K

A

A

P

P

D

N

K

T

P

P

E

D

Y

I

I

L

E

E

I

I

Y

E

F

F

E

K

Q

K

G

G

V

V

P

P

K

V

K

K

L

V

-

T

-

N

-

V

-

K

D

D

G

G

K

T

E

T

L

H

E

Q

-

T

P

S

L

L

E

E

L

L

L

F

T

M

K

Y

L

L

N

N

E

E

I

V

A

A

G

G

R

K

N

H

G

G

V

V

G

G

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I

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E

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M

K

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S

S

R

R

G

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Y

E

E

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T

P

P

G

A

G

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T

V

I

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Y

Y

A

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A

A

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A

I

F

T

T

I

M

D

D

K

R

N

E

T

V

Y

R

H

K

Y

I

K

K

Q

Q

V

G

I

L

S

G

Q

L

K

K

Y

F

S

A

E

E

L

L

V

V

Y

Y

D

T

G

G

L

F

W

W

F

H

T

S

P

P

L

E

R

C

E

E

A

F

L

V

D

R

A

H

F

C

V

I

E

A

S

K

T

S

Q

Q

S

E

N

R

V

V

T

E

G

G

S

K

V

V

K

Q

L

V

K

S

I

V

Y

L

K

K

G

G

N

Q

V

V

I

Y

T

I

A

L

G

G

T

R

D

E

A

S

K

P

K

L

P

S

L

L

Y

Y

N

N

E

E

S

E

I

L

S

V

S

S

F

-

G

N

A

V

S

Q

N

G

L

D

Y

Y

D

E

H

P

K

T

D

D

A

A

A

T

G

G

F

F

I

I

K

N

I

I

F

N

T

S

L

L

active site: D13 (= D14), R92 (= R94), D121 (= D123), S176 (= S175)
binding aspartic acid: A115 (≠ C117), T116 (= T118), G119 (= G121), N120 (= N122), D121 (= D123)
binding citrulline: Y84 (= Y86), T88 (= T90), N120 (= N122), R124 (= R126), D178 (= D177), S185 (= S184), E187 (= E186), E266 (= E260), Y278 (= Y272)

4xfjB Crystal structure of argininosuccinate synthase from mycobacterium thermoresistibile in complex with amppnp and arginine
41% identity, 99% coverage: 3:398/398 of query aligns to 2:397/397 of 4xfjB

query
sites
4xfjB

D

E

K

R

V

V

V

I

L

L

A
|
A

Y
|
Y

S
|
S

G

G

L

L

D
|
D

T
|
T

S

S

I

V

I

A

I

I

P

S

W

W

L

I

K

G

E

K

N

E

Y

T

D

G

L

R

E

E

V

V

I

V

A

A

A

V

C

A

M
x
I

D

D

V

L

G

G

Q

Q

G

G

-

G

D

E

D

D

L

M

K

E

A

V

V

V

E

R

E

Q

K

R

A

A

I

L

R

D

T

C

G

G

A

A

S

V

K

E

V

S

Y

I

V

V

E

I

D

D

L

A

K

R

A

D

E

E

F

F

V

A

K

N

E

D

Y

Y

L

C

F

V

K

P

A

A

V

I

K

Q

A

S

H

N

L

A

V

L

Y

Y

E

M

D

D

E

R

Y
|
Y

L

P

L

L

G

V

T
x
S

S

A

L

L

A

S

R
|
R

P

P

L

L

M

I

S

V

K

K

R

H

L

L

V

V

E

K

I

A

A

A

H

R

K

E

E

H

G

G

A

G

K

T

Y

I

I

V

A

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

T

V

G

G

I

F

A

A

S

S

F

L

D

A

P

P

T

D

I

L

Q

E

I

V

I

L

A

A

P

P

W

V

R

R

-

D

-

Y

L

A

W

W

D

-

I

-

E

-

S

T

R

R

E

E

D

K

A

A

I

I

D

A

Y

F

A

A

H

E

A

E

K

N

G

N

V

I

E

P

V

I

T

N

A

V

T

T

K

K

K

R

K

S

I

P

Y

F

S
|
S

E

I

D

D

K

Q

N

N

V

V

W

W

H

G

V

R

S
x
A

H

V

E
|
E

G

T

G

G

D

F

L

L

E

E

D

H

P

L

R

W

N

N

E

A

H

P

K

T

R

K

S

D

M

V

Y

Y

S

S

M

Y

T

T

T

E

P

D

V

P

E

T

E

V

A

N

P

W

D

S

K

T

P

P

E

D

Y

E

I

V

E

I

I

V

Y

G

F

F

E

E

Q

Q

G

G

V

V

P

P

K

V

K

S

L

I

D

D

G

G

K

R

E

S

L

V

E

T

P

P

L

L

E

Q

L

A

L

I

T

E

K

E

L

L

N

N

E

R

I

R

A

G

G

G

R

E

N

Q

G

G

V

V

G

G

I

R

I

L

D

D

I

V

V

V

E
|
E

N

D

R

R

L

L

V

V

G

G

M

I

K

K

S

S

R

R

G
x
E

V

I

Y
|
Y

E

E

T

A

P

P

G

G

G

A

T

M

V

V

L

L

Y

I

A

T

A

A

H

H

R

T

C

E

L

L

E

E

R

H

I

V

T

T

I

L

D

E

K

R

N

E

T

L

Y

G

H

R

Y

F

K

K

Q

R

V

I

I

T

S

D

Q

Q

K

K

Y

W

S

G

E

E

L

L

V

V

Y

Y

D

D

G

G

L

L

W

W

F

F

T

S

P

P

L

L

R

K

E

T

A

A

L

L

D

E

A

S

F

F

V

V

E

A

S

K

T

T

Q

Q

S

E

N

H

V

V

T

T

G

G

S

E

V

I

K

R

L

M

K

V

I

L

Y

H

K

G

G

G

N

H

V

I

I

A

T

V

A

N

G

G

T

R

D

R

A

S

K

P

K

K

P

S

L

L

Y

Y

N

D

E

F

S

N

I

L

S

A

S

T

F

Y

G

D

A

E

S

G

N

D

L

T

Y

F

D

D

H

Q

K

S

D

A

A

A

A

K

G

G

F

F

I

V

K

Q

I

I

F

H

T

G

L

L

P

S

S

S

K

S

I

I

K

S

A

A

M

R

A

R

D

D

K

L

Q

Q

active site: D13 (= D14), R94 (= R94), D123 (= D123), S174 (= S175)
binding phosphoaminophosphonic acid-adenylate ester: A7 (= A8), Y8 (= Y9), S9 (= S10), T14 (= T15), I34 (≠ M35), G116 (= G116), C117 (= C117), F127 (= F127)
binding arginine: Y86 (= Y86), S90 (≠ T90), R126 (= R126), A183 (≠ S184), E185 (= E186), E259 (= E260), E269 (≠ G270), Y271 (= Y272)

6e5yA 1.50 angstrom resolution crystal structure of argininosuccinate synthase from bordetella pertussis in complex with amp.
30% identity, 86% coverage: 4:347/398 of query aligns to 12:367/438 of 6e5yA

query
sites
6e5yA

K

K

V

V

V

G

L

I

A
|
A

Y

F

S

S

G

G

L

L

D
|
D

T

T

S

S

I

A

I

L

P

L

W

W

L

M

K

R

E

Q

N

K

Y

G

D

A

L

V

E

P

V

Y

I

-

A

A

A

Y

C
x
T

M
x
A

D

N

V

L

G

G

Q

Q

G

P

D

D

-

E

-

P

D

D

L

Y

K

D

A

E

V

I

E

P

E

R

K

R

A

A

I

M

R

Q

T

Y

G

G

A

A

S

E

K

A

V

A

Y

R

V

L

E

V

D

D

L

C

K

R

A

A

E

Q

F

L

V

V

K

A

E

E

Y

G

L

I

-

A

F

L

K

Q

A

A

V

G

K

A

A

F

H

H

L

I

V

S

Y

T

E

A

D

G

-

L

E

T

Y

Y

L

F

L

N

G

T

T

T

S

P

L

I

A

G

R
|
R

P

A

L

V

M

T

S

G

K

T

R

M

L

L

V

V

E

A

I

A

A

M

H

K

K

E

E

D

G

G

A

V

K

N

Y

I

I

W

A

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

T

R

G

Y

I

G

A

L

S

L

F

T

D

N

P

P

T

D

I

L

Q

K

I

I

I

Y

A

K

P

P

W

W

R

L

-

D

-

Q

-

T

-

F

L

I

W

D

D

E

I

L

E

G

S

G

R

R

E

A

D

E

A

M

I

S

D

E

Y

Y

A

M

H

R

A

Q

K

A

G

G

V

F

E

D

V

Y

T

K

A

M

T

S

K

A

K

E

K

K

I

A

Y

Y

S
|
S

E

T

D
|
D

K

S

N

N

V

M

W

L

H

G

V

A

S

T

H

H

E

E

G

A

G

K

D

D

L

L

E

E

D

-

P

-

R

-

N

-

E

-

H

L

K

L

R

S

S

A

M

G

Y

I

S

R

M

I

T

V

T

Q

P

P

V

I

-

M

-

G

-

V

-

A

-

F

-

W

-

Q

E

D

E

S

A

V

P

Q

D

I

K

K

P

A

E

E

Y

E

I

V

E

T

I

V

Y

R

F

F

E

E

Q

E

G

G

V

Q

P

P

K

V

K

A

L

L

D

N

G

G

K

V

E

E

L

Y

-

A

E

D

P

P

L

V

E

E

L

L

T

L

K

E

L

A

N

N

E

R

I

I

A

G

G

G

R

R

N

H

G

G

V

L

G

G

I

M

I

S

D

D

I

Q

V

I

E

E

N

N

R

R

L

I

V

I

G

E

M

A

K

K

S

S

R

R

G

G

V

I

Y

Y

E

E

T

A

P

P

G

G

G

L

T

A

V

L

L

L

Y

F

A

I

A

A

H

Y

R

E

C

R

L

L

E

V

R

T

I

G

T

I

I

H

D

N

K

E

N

D

T

T

Y

I

H

E

Y

Q

K

Y

Q

R

V

E

I

N

S

G

Q

R

K

K

Y

L

S

G

E

R

L

L

V

L

Y

Y

D

Q

G

G

L

R

W

W

F

F

T

D

P

P

-

Q

-

A

-

I

-

M

L

L

R

R

E

E

A

T

L

A

D

Q

A

R

F

W

V

V

E

A

S

R

T

A

Q

-

S

-

N

-

V

I

T

T

G

G

S

E

V

V

K

T

L

L

K

E

I

L

Y

R

K

R

G

G

N

N

active site: D22 (= D14), R106 (= R94), D135 (= D123), S191 (= S175)
binding adenosine monophosphate: A16 (= A8), T41 (≠ C34), A42 (≠ M35), D193 (= D177)

5us8A 2.15 angstrom resolution crystal structure of argininosuccinate synthase from bordetella pertussis
30% identity, 86% coverage: 4:347/398 of query aligns to 16:371/445 of 5us8A

query
sites
5us8A

K

K

V

V

V

G

L

I

A

A

Y

F

S

S

G

G

L

L

D
|
D

T

T

S

S

I

A

I

L

P

L

W

W

L

M

K

R

E

Q

N

K

Y

G

D

A

L

V

E

P

V

Y

I

-

A

A

A

Y

C

T

M

A

D

N

V

L

G

G

Q

Q

G

P

D

D

-

E

-

P

D

D

L

Y

K

D

A

E

V

I

E

P

E

R

K

R

A

A

I

M

R

Q

T

Y

G

G

A

A

S

E

K

A

V

A

Y

R

V

L

E

V

D

D

L

C

K

R

A

A

E

Q

F

L

V

V

K

A

E

E

Y

G

L

I

-

A

F

L

K

Q

A

A

V

G

K

A

A

F

H

H

L

I

V

S

Y

T

E

A

D

G

-

L

E

T

Y

Y

L

F

L

N

G

T

T

T

S

P

L

I

A

G

R
|
R

P

A

L

V

M

T

S

G

K

T

R

M

L

L

V

V

E

A

I

A

A

M

H

K

K

E

E

D

G

G

A

V

K

N

Y

I

I

W

A

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

T

R

G

Y

I

G

A

L

S

L

F

T

D

N

P

P

T

D

I

L

Q

K

I

I

I

Y

A

K

P

P

W

W

R

L

-

D

-

Q

-

T

-

F

L

I

W

D

D

E

I

L

E

G

S

G

R

R

E

A

D

E

A

M

I

S

D

E

Y

Y

A

M

H

R

A

Q

K

A

G

G

V

F

E

D

V

Y

T

K

A

M

T

S

K

A

K

E

K

K

I

A

Y

Y

S
|
S

E

T

D

D

K

S

N

N

V

M

W

L

H

G

V

A

S

T

H

H

E

E

G

A

G

K

D

D

L

L

E

E

D

-

P

-

R

-

N

-

E

-

H

L

K

L

R

S

S

A

M

G

Y

I

S

R

M

I

T

V

T

Q

P

P

V

I

-

M

-

G

-

V

-

A

-

F

-

W

-

Q

E

D

E

S

A

V

P

Q

D

I

K

K

P

A

E

E

Y

E

I

V

E

T

I

V

Y

R

F

F

E

E

Q

E

G

G

V

Q

P

P

K

V

K

A

L

L

D

N

G

G

K

V

E

E

L

Y

-

A

E

D

P

P

L

V

E

E

L

L

T

L

K

E

L

A

N

N

E

R

I

I

A

G

G

G

R

R

N

H

G

G

V

L

G

G

I

M

I

S

D

D

I

Q

V

I

E

E

N

N

R

R

L

I

V

I

G

E

M

A

K

K

S

S

R

R

G

G

V

I

Y

Y

E

E

T

A

P

P

G

G

G

L

T

A

V

L

L

L

Y

F

A

I

A

A

H

Y

R

E

C

R

L

L

E

V

R

T

I

G

T

I

I

H

D

N

K

E

N

D

T

T

Y

I

H
x
E

Y

Q

K

Y

Q
x
R

V
x
E

I

N

S

G

Q
x
R

K
|
K

Y

L

S

G

E

R

L

L

V

L

Y

Y

D

Q

G

G

L

R

W

W

F

F

T

D

P

P

-

Q

-

A

-

I

-

M

L

L

R

R

E

E

A

T

L

A

D

Q

A

R

F

W

V

V

E

A

S

R

T

A

Q

-

S

-

N

-

V

I

T

T

G

G

S

E

V

V

K

T

L

L

K

E

I

L

Y

R

K

R

G

G

N

N

active site: D26 (= D14), R110 (= R94), D139 (= D123), S195 (= S175)
binding adenosine: E321 (≠ H298), R324 (≠ Q301), E325 (≠ V302), R328 (≠ Q305), K329 (= K306)

1k97A Crystal structure of e. Coli argininosuccinate synthetase in complex with aspartate and citrulline (see paper)
29% identity, 86% coverage: 4:347/398 of query aligns to 12:367/432 of 1k97A

query
sites
1k97A

K

R

V

I

V

G

L

I

A

A

Y

F

S

S

G

G

L

L

D
|
D

T

T

S

S

I

A

I

L

P

L

W

W

L

M

K

R

E

Q

N

K

Y

G

D

A

L

V

E

P

V

Y

I

-

A

A

A

Y

C

T

M

A

D

N

V

L

G

G

Q

Q

G

P

D

D

-

E

D

D

L

Y

K

D

A

A

V

I

E

P

E

R

K

R

A

A

I

M

R

E

T

Y

G

G

A

A

S

E

K

N

V

A

Y

R

V

L

E

I

D

D

L

C

K

R

A

K

E

Q

F

L

V

V

K

A

E

E

Y

G

L

I

F

-

K

A

A

A

V

I

K

Q

A

C

H

G

L

A

V

F

Y

H

E

N

D

T

E

T

-

G

-

L

-

T

Y
|
Y

L

F

L

N

G

T

T
|
T

S
x
P

L

L

A

G

R
|
R

P

A

L

V

M

T

S

G

K

T

R

M

L

L

V

V

E

A

I

A

A

M

H

K

K

E

E

D

G

G

A

V

K

N

Y

I

I

W

A

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

T

R

G

Y

I

G

A

L

S

L

F

T

D

N

P

A

T

E

I

L

Q

Q

I

I

I

Y

A

K

P

P

W

W

R

L

L

D

W

T

D

D

-

F

-

I

-

D

-

E

I

L

E

G

S

G

R

R

E

H

D

E

A

M

I

S

D

E

Y

F

A

M

H

I

A

A

K

C

G

G

V

F

E

D

V

Y

T

K

A

M

T

S

K

V

K

E

K

K

I

A

Y

Y

S
|
S

E
x
T

D
|
D

K

S

N

N

V

M

W

L

H

G

V

A

S
x
T

H

H

E
|
E

G

A

G

K

D

D

L

L

E

E

D

-

P

-

R

-

N

-

E

-

H

Y

K

L

R

N

S

S

M

S

Y

V

S

K

M

I

T

V

T

N

P

P

V

I

-

M

-

G

-

V

-

K

-

F

-

W

E

D

E

E

A

S

P

V

D

K

K

I

P

P

-

A

E

E

Y

E

I

V

E

T

I

V

Y

R

F

F

E

E

Q

Q

G

G

V

H

P

P

K

V

K

A

L

L

D

N

G

G

K

K

E

T

L

F

-

S

E

D

P

D

L

V

E

E

L

M

T

L

K

E

L

A

N

N

E

R

I

I

A

G

G

G

R

R

N

H

G

G

V

L

G

G

I

M

I

S

D

D

I

Q

V

I

E
|
E

N

N

R

R

L

I

V

I

G

E

M

A

K

K

S

S

R

R

G

G

V

I

Y
|
Y

E

E

T

A

P

P

G

G

G

M

T

A

V

L

L

L

Y

H

A

I

A

A

H

Y

R

E

C

R

L

L

E

L

R

T

I

G

T

I

I

H

D

N

K

E

N

D

T

T

Y

I

H

E

Y

Q

K

Y

Q

H

V

A

I

H

S

G

Q

R

K

Q

Y

L

S

G

E

R

L

L

V

L

Y
|
Y

D

Q

G

G

L

R

W

W

F

F

T

D

P

S

-

Q

-

A

-

L

-

M

L

L

R

R

E

D

A

S

L

L

D

Q

A

R

F

W

V

V

E

-

S

-

T

-

Q

A

S

S

N

Q

V

I

T

T

G

G

S

E

V

V

K

T

L

L

K

E

I

L

Y

R

K

R

G

G

N

N

active site: D22 (= D14), R106 (= R94), D135 (= D123), S191 (= S175)
binding aspartic acid: S129 (≠ C117), T130 (= T118), G133 (= G121), N134 (= N122), D135 (= D123)
binding citrulline: Y98 (= Y86), T102 (= T90), P103 (≠ S91), R138 (= R126), S191 (= S175), T192 (≠ E176), D193 (= D177), T200 (≠ S184), E202 (= E186), E279 (= E260), Y291 (= Y272), Y331 (= Y312)

1kp3A Crystal structure of e. Coli argininosuccinate synthetase in complex with atp and citrulline (see paper)
29% identity, 86% coverage: 4:347/398 of query aligns to 12:367/439 of 1kp3A

query
sites
1kp3A

K

R

V

I

V

G

L

I

A
|
A

Y

F

S
|
S

G

G

G
|
G

L

L

D
|
D

T
|
T

S

S

I

A

I

L

P

L

W

W

L

M

K

R

E

Q

N

K

Y

G

D

A

L

V

E

P

V

Y

I

-

A

A

A

Y

C
x
T

M
x
A

D

N

V

L

G

G

Q

Q

G

P

D

D

-

E

D

D

L

Y

K

D

A

A

V

I

E

P

E

R

K

R

A

A

I

M

R

E

T

Y

G

G

A

A

S

E

K

N

V

A

Y

R

V

L

E

I

D

D

L

C

K

R

A

K

E

Q

F

L

V

V

K

A

E

E

Y

G

L

I

F

-

K

A

A

A

V

I

K

Q

A

C

H

G

L

A

V

F

Y

H

E

N

D

T

E

T

-

G

-

L

-

T

Y
|
Y

L

F

L

N

G

T

T
|
T

S
x
P

L

L

A

G

R
|
R

P

A

L

V

M

T

S

G

K

T

R

M

L

L

V

V

E

A

I

A

A

M

H

K

K

E

E

D

G

G

A

V

K

N

Y

I

I

W

A

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

T

R

G

Y

I

G

A

L

S

L

F

T

D

N

P

A

T

E

I

L

Q

Q

I

I

I

Y

A

K

P

P

W

W

R

L

L

D

W

T

D

D

-

F

-

I

-

D

-

E

I

L

E

G

S

G

R

R

E

H

D

E

A

M

I

S

D

E

Y

F

A

M

H

I

A

A

K

C

G

G

V

F

E

D

V

Y

T

K

A

M

T

S

K

V

K

E

K

K

I

A

Y

Y

S
|
S

E

T

D
|
D

K

S

N

N

V

M

W

L

H

G

V

A

S
x
T

H

H

E
|
E

G

A

G

K

D

D

L

L

E

E

D

-

P

-

R

-

N

-

E

-

H

Y

K

L

R

N

S

S

M

S

Y

V

S

K

M

I

T

V

T

N

P

P

V

I

-

M

-

G

-

V

-

K

-

F

-

W

E

D

E

E

A

S

P

V

D

K

K

I

P

P

-

A

E

E

Y

E

I

V

E

T

I

V

Y

R

F

F

E

E

Q

Q

G

G

V

H

P

P

K

V

K

A

L

L

D

N

G

G

K

K

E

T

L

F

-

S

E

D

P

D

L

V

E

E

L

M

T

L

K

E

L

A

N

N

E

R

I

I

A

G

G

G

R

R

N

H

G

G

V

L

G

G

I

M

I

S

D

D

I

Q

V

I

E
|
E

N

N

R

R

L

I

V

I

G

E

M

A

K

K

S
|
S

R

R

G

G

V

I

Y
|
Y

E

E

T

A

P

P

G

G

G

M

T

A

V

L

L

L

Y

H

A

I

A

A

H

Y

R

E

C

R

L

L

E

L

R

T

I

G

T

I

I

H

D

N

K

E

N

D

T

T

Y

I

H

E

Y

Q

K

Y

Q

H

V

A

I

H

S

G

Q

R

K

Q

Y

L

S

G

E

R

L

L

V

L

Y

Y

D

Q

G

G

L

R

W

W

F

F

T

D

P

S

-

Q

-

A

-

L

-

M

L

L

R

R

E

D

A

S

L

L

D

Q

A

R

F

W

V

V

E

-

S

-

T

-

Q

A

S

S

N

Q

V

I

T

T

G

G

S

E

V

V

K

T

L

L

K

E

I

L

Y

R

K

R

G

G

N

N

active site: D22 (= D14), R106 (= R94), D135 (= D123), S191 (= S175)
binding adenosine-5'-triphosphate: A16 (= A8), S18 (= S10), G20 (= G12), D22 (= D14), T23 (= T15), T41 (≠ C34), A42 (≠ M35), D127 (≠ H115), G128 (= G116), S129 (≠ C117), F139 (= F127), D193 (= D177)
binding citrulline: Y98 (= Y86), T102 (= T90), P103 (≠ S91), T130 (= T118), G133 (= G121), N134 (= N122), D135 (= D123), R138 (= R126), D193 (= D177), T200 (≠ S184), E202 (= E186), E202 (= E186), E279 (= E260), S287 (= S268), Y291 (= Y272)

P0A6E4 Argininosuccinate synthase; Citrulline--aspartate ligase; EC 6.3.4.5 from Escherichia coli (strain K12) (see 4 papers)
29% identity, 86% coverage: 4:347/398 of query aligns to 13:368/447 of P0A6E4

query
sites
P0A6E4

K

R

V

I

V

G

L

I

A
|
A

Y
x
F

S
|
S

G
|
G

L
|
L

D
|
D

T
|
T

S
|
S

I

A

I

L

P

L

W

W

L

M

K

R

E

Q

N

K

Y

G

D

A

L

V

E

P

V

Y

I

-

A

A

A

Y

C

T

M
x
A

D

N

V

L

G

G

Q

Q

G

P

D

D

-

E

D

D

L

Y

K

D

A

A

V

I

E

P

E

R

K

R

A

A

I

M

R

E

T

Y

G

G

A

A

S

E

K

N

V

A

Y

R

V

L

E

I

D

D

L

C

K

R

A

K

E

Q

F

L

V

V

K

A

E

E

Y

G

L

I

F

-

K

A

A

A

V

I

K

Q

A

C

H

G

L

A

V

F

Y

H

E

N

D

T

E

T

-

G

-

L

-

T

Y
|
Y

L

F

L

N

G

T

T

T

S

P

L

L

A

G

R

R

P

A

L

V

M

T

S

G

K

T

R

M

L

L

V

V

E

A

I

A

A

M

H

K

K

E

E

D

G

G

A

V

K

N

Y

I

I

W

A

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

T

R

G

Y

I

G

A

L

S

L

F

T

D

N

P

A

T

E

I

L

Q

Q

I

I

I

Y

A

K

P

P

W

W

R

L

L

D

W

T

D

D

-

F

-

I

-

D

-

E

I

L

E

G

S

G

R

R

E

H

D

E

A

M

I

S

D

E

Y

F

A

M

H

I

A

A

K

C

G

G

V

F

E

D

V

Y

T

K

A

M

T

S

K

V

K

E

K

K

I

A

Y

Y

S
|
S

E

T

D
|
D

K

S

N

N

V

M

W

L

H

G

V

A

S
x
T

H

H

E
|
E

G

A

G

K

D

D

L

L

E

E

D

-

P

-

R

-

N

-

E

-

H

Y

K

L

R

N

S

S

M

S

Y

V

S

K

M

I

T

V

T

N

P

P

V

I

-

M

-

G

-

V

-

K

-

F

-

W

E

D

E

E

A

S

P

V

D

K

K

I

P

P

-

A

E

E

Y

E

I

V

E

T

I

V

Y

R

F

F

E

E

Q

Q

G

G

V

H

P

P

K

V

K

A

L

L

D

N

G

G

K

K

E

T

L

F

-

S

E

D

P

D

L

V

E

E

L

M

T

L

K

E

L

A

N

N

E

R

I

I

A

G

G

G

R

R

N

H

G

G

V

L

G

G

I

M

I

S

D

D

I

Q

V

I

E
|
E

N

N

R

R

L

I

V

I

G

E

M

A

K

K

S

S

R

R

G

G

V

I

Y

Y

E

E

T

A

P

P

G

G

G

M

T

A

V

L

L

L

Y

H

A

I

A

A

H

Y

R

E

C

R

L

L

E

L

R

T

I

G

T

I

I

H

D

N

K

E

N

D

T

T

Y

I

H

E

Y

Q

K

Y

Q

H

V

A

I

H

S

G

Q

R

K

Q

Y

L

S

G

E

R

L

L

V

L

Y

Y

D

Q

G

G

L

R

W

W

F

F

T

D

P

S

-

Q

-

A

-

L

-

M

L

L

R

R

E

D

A

S

L

L

D

Q

A

R

F

W

V

V

E

-

S

-

T

-

Q

A

S

S

N

Q

V

I

T

T

G

G

S

E

V

V

K

T

L

L

K

E

I

L

Y

R

K

R

G

G

N

N

17:25 (vs. 8:16, 89% identical) binding ATP
A43 (≠ M35) binding ATP
Y99 (= Y86) binding L-citrulline
G129 (= G116) binding ATP
T131 (= T118) binding ATP; binding L-aspartate
N135 (= N122) binding L-aspartate; binding L-citrulline
D136 (= D123) binding ATP; binding L-aspartate
R139 (= R126) binding L-citrulline
S192 (= S175) binding L-citrulline
D194 (= D177) binding ATP
T201 (≠ S184) binding L-citrulline
E203 (= E186) binding L-citrulline
E280 (= E260) binding L-citrulline

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

Query Sequence

>WP_017895928.1 NCBI__GCF_000816635.1:WP_017895928.1
MKDKVVLAYSGGLDTSIIIPWLKENYDLEVIAACMDVGQGDDLKAVEEKAIRTGASKVYV
EDLKAEFVKEYLFKAVKAHLVYEDEYLLGTSLARPLMSKRLVEIAHKEGAKYIAHGCTGK
GNDQVRFETGIASFDPTIQIIAPWRLWDIESREDAIDYAHAKGVEVTATKKKIYSEDKNV
WHVSHEGGDLEDPRNEHKRSMYSMTTPVEEAPDKPEYIEIYFEQGVPKKLDGKELEPLEL
LTKLNEIAGRNGVGIIDIVENRLVGMKSRGVYETPGGTVLYAAHRCLERITIDKNTYHYK
QVISQKYSELVYDGLWFTPLREALDAFVESTQSNVTGSVKLKIYKGNVITAGTDAKKPLY
NESISSFGASNLYDHKDAAGFIKIFTLPSKIKAMADKQ

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