SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing H281DRAFT_00178 H281DRAFT_00178 agmatinase 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)

Q9I3S3 Guanidinobutyrase; EC 3.5.3.7 from Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) (see paper)
72% identity, 94% coverage: 16:325/329 of query aligns to 7:319/319 of Q9I3S3

query
sites
Q9I3S3

Q

Q

P

P

L

L

S

G

G

G

N

N

A

E

M

M

P

P

R

R

S

F

G

G

I

I

A

A

T

T

M

M

R

R

L

L

P

P

N

H

V

V

G

Q

S

S

-

P

-

A

-

E

A

L

E

D

G

A

F

L

D

D

A

A

C

A

F

F

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G

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F

L

D

D

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I

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G

T

T

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N

L

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G

A

T

R

R

F

F

G

G

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P

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E

I

I

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A

E

E

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S

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M

L

I

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P

Y

Y

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M

M

A

A

T

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G

A

A

P

P

F

F

D

D

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S

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N

V

V

A

A

D

D

L

I

G

G

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H

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K

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G

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D
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D

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H

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A

D
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D

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V

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E

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D

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D

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L

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A

A

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Y

E

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R

H129 (= H135) binding
D152 (= D158) binding ; binding
H154 (= H160) binding
D156 (= D162) binding
M161 (= M167) mutation to Y: Loss of activity.
D243 (= D249) binding
D245 (= D251) binding

3nioA Crystal structure of pseudomonas aeruginosa guanidinobutyrase (see paper)
72% identity, 94% coverage: 16:325/329 of query aligns to 4:316/316 of 3nioA

query
sites
3nioA

Q

Q

P

P

L

L

S

G

G

G

N

N

A

E

M

M

P

P

R

R

S

F

G

G

I

I

A

A

T

T

M

M

R

R

L

L

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P

N

H

V

V

G

Q

S

S

-

P

-

A

-

E

A

L

E

D

G

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L

D

D

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A

C

A

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F

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G

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D

D

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G

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E

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E

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Y

Y

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M

A

A

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T

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A

A

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P

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F

D

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V

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D

D

L

I

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G

D

D

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A

A

I

I

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F

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V

V

N

N

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M

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M

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G

D

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L

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D

C

C

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D

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G

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Y

Y

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A

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E

D

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F

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D

N

W

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C

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D

K

Q

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D
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I

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D

G

G

I

I

D

D

P

P

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A

F

W

A

A

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P

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T

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E

E

I

I

A

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Q

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G

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I

G

G

C

C

D

D

L

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V

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E
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E

V

V

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P

Y

Y

D

D

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F

T

G

G

T

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T

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Y

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E

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C

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Y

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R

R

active site: H126 (= H135), D149 (= D158), H151 (= H160), D153 (= D162), H165 (= H174), D240 (= D249), D242 (= D251), E284 (= E293)
binding manganese (ii) ion: H126 (= H135), D149 (= D158), D149 (= D158), H151 (= H160), D153 (= D162), D240 (= D249), D240 (= D249), D242 (= D251)

3niqA Crystal structure of pseudomonas aeruginosa guanidinopropionase (see paper)
48% identity, 96% coverage: 13:327/329 of query aligns to 1:315/315 of 3niqA

query
sites
3niqA

E

D

R

H

P

P

Q

Q

P

P

L

L

S

D

G

A

N

A

A

E

M

I

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P

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R

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F

G

A

G

G

I

I

A

P

T

T

M

F

M

M

R

R

L

L

P

P

N

A

V

F

G

T

S

D

A

P

E

A

G

A

F

L

D

Q

A

V

C

G

F

L

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I

G

G

V

V

P

P

F

W

D

D

L

G

G

G

T

T

S

T

N

N

R

R

T

A

G

G

A

A

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F

H

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G

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E

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Y

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A

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A

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Y

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R

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V

A

G

D

D

L

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D

D

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D

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V

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C

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F

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G

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P

A

A

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F

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P

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A

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A

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R

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C

A

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D

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F

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G

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T

A

T

T

A

A

L

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M

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F

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E

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E

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E

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Y

A

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S

A

A

active site: H123 (= H135), D145 (= D158), H147 (= H160), D149 (= D162), H162 (= H174), D237 (= D249), D239 (= D251), E281 (= E293)
binding manganese (ii) ion: H123 (= H135), D145 (= D158), D145 (= D158), H147 (= H160), D149 (= D162), D237 (= D249), D237 (= D249), D239 (= D251)

Q9I6K2 Guanidinopropionase; EC 3.5.3.17 from Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) (see paper)
47% identity, 96% coverage: 11:327/329 of query aligns to 2:318/318 of Q9I6K2

query
sites
Q9I6K2

A

S

G

N

E

D

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H

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P

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Q

P

P

L

L

S

D

G

A

N

A

A

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I

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F

G

A

G

G

I

I

A

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T

M

F

M

M

R

R

L

L

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P

N

A

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F

G

T

S

D

A

P

E

A

G

A

F

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D

Q

A

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C

G

F

L

V

I

G

G

V

V

P

P

F

W

D

D

L

G

G

G

T

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T

N

N

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T

A

G

G

A

A

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H

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R

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E

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N

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H

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H

A

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D

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V

A

G

D

D

L

L

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G

D

D

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A

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D

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H

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N

N

D

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M
x
Y

M

F

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G

E

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F

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G

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A

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M

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E

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A

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A

A

H126 (= H135) binding
D148 (= D158) binding
H150 (= H160) binding
D152 (= D162) binding
Y157 (≠ M167) mutation to M: Reduces substrate affinity 10-fold and catalytic efficiency 3-fold.
D240 (= D249) binding
D242 (= D251) binding

3nipB Crystal structure of pseudomonas aeruginosa guanidinopropionase complexed with 1,6-diaminohexane (see paper)
48% identity, 96% coverage: 13:327/329 of query aligns to 2:316/316 of 3nipB

query
sites
3nipB

E

D

R

H

P

P

Q

Q

P

P

L

L

S

D

G

A

N

A

A

E

M

I

P

P

R

R

S

F

G

A

G

G

I

I

A

P

T

T

M

F

M

M

R

R

L

L

P

P

N

A

V

F

G

T

S

D

A

P

E

A

G

A

F

L

D

Q

A

V

C

G

F

L

V

I

G

G

V

V

P

P

F

W

D

D

L

G

G

G

T

T

S

T

N

N

R
|
R

T

A

G

G

A

A

R

R

F

H

G

G

P

P

R

R

Q

E

I

V

R

R

S

N

E

L

S

S

V

S

L

L

L

M

R

R

P

K

Y

V

N

H

M

H

A

V

T

S

R

R

A

I

A

A

P

P

F

Y

D

D

S

L

L

V

R

R

V

V

A

G

D

D

L

L

G

G

D

D

V

A

A

P

I

V

N

N

P

P

Y

I

N

D

L

L

H

L

D

D

S

S

I

L

A

R

R

R

I

I

E

E

T

G

A

F

Y

Y

D

R

E

Q

I

V

L

H

Q

A

H

A

D

G

C

T

K

L

P

P

V

L

T

S

L

V

G

G

D

D

H
|
H

T

L

I

V

A

T

L

L

P

P

I

I

L

F

R

R

A

A

I

L

H

G

R

R

K

E

H

R

G

-

K

P

V

L

G

G

L

M

I

V

H

H

V

F

D
|
D

A

A

H
|
H

A

S

D
|
D

V

T

N

N

D

D

T

R

M

Y

M

F

G

G

E

D

K

N

-

P

I

Y

A

T

H
|
H

G

G

T

T

P

P

F

F

R

R

A

A

V

I

E

E

G

G

L

L

D

D

C

P

E

L

R

R

V

T

V

V

Q

Q

I

I

G

G

L

I

R

R

G

G

T

S

G

V

Y

Y

A

S

A

P

E

D

D

D

F

D

D

A

W

F

C

A

R

R

D

E

Q

C

G

G

F

I

D

R

V

V

V

I

Q

H

A

M

E

E

A

E

C

F

W

V

N

E

Q

L

S

G

L

V

A

E

P

A

L

T

M

L

A

A

R

E

V

A

R

R

E

R

R

V

M

V

G

G

D

A

G

G

P

P

V

T

Y

Y

I

V

T

S

F

F

D
|
D

I

V

D
|
D

G

V

I

L

D

D

P
|
P

A

A

F
|
F

A

A

P
|
P

G

G

T

T

G

G

T

T

P
|
P

E

E

I
|
I

A

G

G

G

L

M

T

T

V

S

P

L

Q

Q

A

A

L

Q

E

Q

I

L

I

V

R

R

G

G

A

L

R

R

G

G

L

L

N

D

I

L

V

V

G

G

C

A

D

D

L

V

V

V

E
|
E

V

V

A

S

P

P

Y

F

D

D

P

V

F
x
G

G

G

T
x
A

T

T

A

A

L
|
L

L
x
V

A

G

A

A

N

T

L

M

A

M

F

F

E

E

L

L

C

C

V

L

L

L

P

A

G

E

V

S

E

A

Y

A

R

R

S

S

A

A

active site: H124 (= H135), D146 (= D158), H148 (= H160), D150 (= D162), H163 (= H174), D238 (= D249), D240 (= D251), E282 (= E293)
binding hexane-1,6-diamine: R49 (= R60), P244 (= P255), F246 (= F257), P248 (= P259), P253 (= P264), I255 (= I266), G290 (≠ F301), A292 (≠ T303), L295 (= L306), V296 (≠ L307)

1gq6B Proclavaminate amidino hydrolase from streptomyces clavuligerus (see paper)
39% identity, 89% coverage: 24:316/329 of query aligns to 2:294/301 of 1gq6B

query
sites
1gq6B

P

P

R

R

S

Y

G

A

G

Q

I

I

A

P

T

T

M

F

M

M

R

R

L

L

P

P

N

H

V

D

G

P

S

Q

A

P

E

R

G

G

F

Y

D

D

A

V

C

V

F

V

V

I

G

G

V

A

P

P

F

Y

D

D

L

G

G

G

T

T

S

S

N

Y

R

R

T

P

G

G

A

A

R

R

F

F

G

G

P

P

R

Q

Q

A

I

I

R

R

S

S

E

E

S

S

V

G

L

L

L

I

R

H

P

G

Y

V

N

G

M

I

A

D

T

R

R

G

A

P

A

G

P

T

F

F

D

D

S

L

L

I

R

N

V

C

A

V

D

D

L

A

G

G

D

D

V

I

A

N

I

L

N

T

P

P

Y

F

N

D

L

M

H

N

D

I

S

A

I

I

A

D

R

T

I

A

E

Q

T

S

A

H

Y

L

D

S

E

G

I

L

L

L

Q

K

H

A

D

N

C

A

K

A

P

F

V

L

T

M

L

I

G

G

D

D

H
|
H

T

S

I

L

A

T

L

V

P

A

I

A

L

L

R

R

A

A

I

V

H

A

R

E

K

Q

H

H

G

G

K

P

V

L

G

A

L

V

I

V

H

H

V

L

D
|
D

A

A

H
|
H

A

S

D
|
D

V

T

N

N

D

P

T

A

M

F

M

Y

G

G

E

G

K

R

I

Y

A

H

H
|
H

G

G

T

T

P

P

F

F

R

R

R

H

A

G

V

I

E

D

E

E

G

K

L

L

L

I

D

D

C

P

E

A

R

A

V

M

V

V

Q

Q

I

I

G

G

L

I

R

R

G

G

T

H

G

N

Y

P

A

K

A

P

E

D

D

S

F

L

D

D

W

Y

C

A

R

R

D

G

Q

H

G

G

F

V

D

R

V

V

Q

T

A

A

E

D

A

E

C

F

W

G

N

E

Q

L

S

G

L

V

A

G

P

G

L

T

M

A

A

D

R

L

V

I

R

R

E

E

R

K

M

V

G

G

D

Q

G

R

P

P

V

V

Y

Y

I

V

T

S

F

V

D
|
D

I

I

D
|
D

G

V

I

V

D

D

P

P

A

A

F

F

A

A

P

P

G

G

T

T

G

G

T

T

P

P

E

A

I

P

A

G

G

G

L

L

T

L

V

S

P

R

Q

E

A

V

L

L

E

A

I

L

R

R

G

C

A

V

R

G

G

D

L

L

N

K

I

P

V

V

G

G

C

F

D

D

L

V

V

M

E
|
E

V

V

A

S

P

P

P

L

Y

Y

D

D

P

H

F

G

G

G

T

I

T

T

A

S

L

I

L

L

A

A

A

T

N

E

L

I

A

G

F

A

E

E

L

L

active site: H113 (= H135), D136 (= D158), H138 (= H160), D140 (= D162), H152 (= H174), D227 (= D249), D229 (= D251), E271 (= E293)
binding manganese (ii) ion: H113 (= H135), D136 (= D158), D136 (= D158), H138 (= H160), D140 (= D162), D227 (= D249), D227 (= D249), D229 (= D251)

P0DJQ3 Proclavaminate amidinohydrolase; Proclavaminic acid amidino hydrolase; EC 3.5.3.22 from Streptomyces clavuligerus (see paper)
38% identity, 91% coverage: 18:316/329 of query aligns to 4:302/313 of P0DJQ3

query
sites
P0DJQ3

L

I

S

D

G

S

N

H

A

V

M

S

P

P

R

R

S

Y

G

A

G

Q

I

I

A

P

T

T

M

F

M

M

R

R

L

L

P

P

N

H

V

D

G

P

S

Q

A

P

E

R

G

G

F

Y

D

D

A

V

C

V

F

V

V

I

G

G

V

A

P

P

F

Y

D

D

L

G

G

G

T

T

S

S

N

Y

R

R

T

P

G

G

A

A

R

R

F

F

G

G

P

P

R

Q

Q

A

I

I

R

R

S

S

E

E

S

S

V

G

L

L

L

I

R

H

P

G

Y

V

N

G

M

I

A

D

T

R

R

G

A

P

A

G

P

T

F

F

D

D

S

L

L

I

R

N

V

C

A

V

D

D

L

A

G

G

D

D

V

I

A

N

I

L

N

T

P

P

Y

F

N

D

L

M

H

N

D

I

S

A

I

I

A

D

R

T

I

A

E

Q

T

S

A

H

Y

L

D

S

E

G

I

L

L

L

Q

K

H

A

D

N

C

A

K

A

P

F

V

L

T

M

L

I

G

G

D

D

H
|
H

T

S

I

L

A

T

L

V

P

A

I

A

L

L

R

R

A

A

I

V

H

A

R

E

K

Q

H

H

G

G

K

P

V

L

G

A

L

V

I

V

H

H

V

L

D
|
D

A

A

H
|
H

A

S

D
|
D

V

T

N

N

D

P

T

A

M

F

M

Y

G

G

E

G

K

R

I

Y

A

H

H

H

G

G

T

T

P

P

F

F

R

R

R

H

A

G

V

I

E

D

E

E

G

K

L

L

L

I

D

D

C

P

E

A

R

A

V

M

V

V

Q

Q

I

I

G

G

L

I

R

R

G

G

T

H

G

N

Y

P

A

K

A

P

E

D

D

S

F

L

D

D

W

Y

C

A

R

R

D

G

Q

H

G

G

F

V

D

R

V

V

Q

T

A

A

E

D

A

E

C

F

W

G

N

E

Q

L

S

G

L

V

A

G

P

G

L

T

M

A

A

D

R

L

V

I

R

R

E

E

R

K

M

V

G

G

D

Q

G

R

P

P

V

V

Y

Y

I

V

T

S

F

V

D
|
D

I

I

D
|
D

G

V

I

V

D

D

P

P

A

A

F

F

A

A

P

P

G

G

T

T

G

G

T

T

P

P

E

A

I

P

A

G

G

G

L

L

T

L

V

S

P

R

Q

E

A

V

L

L

E

A

I

L

R

R

G

C

A

V

R

G

G

D

L

L

N

K

I

P

V

V

G

G

C

F

D

D

L

V

V

M

E

E

V

V

A

S

P

P

P

L

Y

Y

D

D

P

H

F

G

G

G

T

I

T

T

A

S

L

I

L

L

A

A

A

T

N

E

L

I

A

G

F

A

E

E

L

L

H121 (= H135) binding
D144 (= D158) binding ; binding
H146 (= H160) binding
D148 (= D162) binding
D235 (= D249) binding ; binding
D237 (= D251) binding

4dz4B X-ray crystal structure of a hypothetical agmatinase from burkholderia thailandensis (see paper)
40% identity, 93% coverage: 13:318/329 of query aligns to 15:314/323 of 4dz4B

query
sites
4dz4B

E

R

R

R

P

P

Q

S

P

V

L

Y

S

G

G

S

N

S

A

I

M

E

P

N

R

T

S

Y

G

A

G

G

I

V

A

L

T

S

M

F

M

M

R

R

L

R

P

N

N

Y

V

T

G

R

S

D

A

L

E

D

G

G

F

V

D

D

A

V

C

V

F

V

V

S

G

G

V

V

P

P

F

L

D

D

L

L

G

A

T

T

S

T

N

F

R

R

T

S

G

G

A

A

R

R

F

L

G

G

P

P

R

S

Q

A

I

V

R

R

S

A

E

A

S

S

V

V

L

Q

L

L

-

A

-

E

-

L

R

N

P

P

Y

Y

N

P

M

W

A

G

T

F

R

D

A

-

P

P

F

F

D

D

S

D

L

L

R

A

V

V

A

I

D

D

L

Y

G

G

D

D

V

C

A

W

I

F

N

D

P

A

Y

H

N

H

-

P

L

L

H

S

D

I

S

K

I

P

A

A

R

I

I

V

E

E

T

H

A

A

Y

-

D

R

E

T

I

I

L

L

Q

Q

H

S

D

D

C

A

K

R

P

M

V

L

T

T

L

L

G

G

D

D

H
|
H

T

Y

I

I

A

T

L

Y

P

P

I

L

L

L

R

I

A

A

I

H

H

A

R

Q

K

K

H

Y

G

G

K

K

-

P

V

L

G

S

L

L

I

I

H

H

V

F

D
|
D

A

A

H
|
H

A

C

D
|
D

V

T

N

W

D

A

T

D

M

D

M

A

G

P

E

D

K

S

I

L

A

N

H
|
H

G

G

T

T

P

M

F

F

R

Y

R

K

A

A

V

V

E

K

E

D

G

G

L

L

L

I

D

D

C

P

E

K

R

A

V

S

V

V

Q

Q

I

V

G

G

L

I

R

R

G

-

T

-

G

-

Y

-

A

-

E

-

D

-

F

-

D

T

W

W

C

N

R

D

D

D

Q

Y

-

L

G

G

F

I

D

N

V

V

V

L

Q

D

A

A

E

A

A

W

C

V

W

H

N

E

Q

H

S

G

L

A

A

R

P

A

L

T

M

L

A

E

R

R

V

I

R

E

E

S

R

I

M

V

G

G

D

G

G

R

P

P

V

A

Y

Y

I

L

T

T

F

F

D
|
D

I

I

D
|
D

G

C

I

L

D

D

P

P

A

A

F

F

A

A

P

P

G

G

T

T

G

G

T
|
T

P

P

E

V

I

A

A

G

G

G

L

L

T

S

V

S

P

A

Q

Q

A

A

L

L

E

A

I

I

I

V

R

R

G

G

A

L

R

G

G

G

L

V

N

N

I

L

V

I

G

G

C

A

D

D

L

V

V

V

E
|
E

V

V

A

A

P

P

P

A

Y

Y

D

D

P

Q

F

S

G

E

T

I

T

T

A

A

L

I

L

A

A

A

N

H

L

V

A

A

F

C

E

D

L

L

C

C

V

L

active site: H138 (= H135), D162 (= D158), H164 (= H160), D166 (= D162), H178 (= H174), D245 (= D249), D247 (= D251), E289 (= E293)
binding manganese (ii) ion: H138 (= H135), D162 (= D158), D162 (= D158), H164 (= H160), D166 (= D162), D245 (= D249), D245 (= D249), D247 (= D251)
binding unknown: H138 (= H135), H164 (= H160), D166 (= D162), H178 (= H174), H178 (= H174), T259 (= T263), E289 (= E293)

7lbaB E. Coli agmatinase (see paper)
41% identity, 81% coverage: 32:299/329 of query aligns to 26:287/310 of 7lbaB

query
sites
7lbaB

M

F

M

L

R

R

L

L

P

P

N

M

V

N

G

F

S

Q

A

P

E

Y

G

D

F

S

D

D

A

A

C

D

F

W

V

V

-

I

-

T

G

G

V

V

P

P

F

F

D

D

L

M

G

A

T

T

S

S

N

G

R

R

T

A

G

G

A

G

R

R

F

H

G

G

P

P

R

A

Q

A

I

I

R

R

S

Q

E

V

S

S

V

T

L

N

L

L

R

A

-

W

-

E

-

H

-

N

-

R

-

F

P

P

Y

W

N

N

M

F

A

D

T

M

R

R

A

-

P

-

F

-

D

E

S

R

L

L

R

N

V

V

A

V

D

D

L

C

G

G

D

D

V

L

A

V

I

Y

N

A

P

F

Y

G

N

D

L

A

H

R

D

E

S

M

I

S

A

E

R

K

I

L

E

Q

T

A

A

H

Y

A

D

E

E

K

I

L

L

L

Q

A

H

A

D

G

C

K

K

R

P

M

V

L

T

S

L

F

G

G

D

D

H
|
H

T

F

I

V

A

T

L

L

P

P

I

L

L

L

R

R

A

A

I

H

H

A

R

K

K

H

H

F

G

G

K

K

V

M

G

A

L

L

I

V

H

H

V

F

D
|
D

A

A

H
|
H

A

T

D
|
D

V

T

N

Y

D

A

T

N

M

-

G

G

E

C

K

E

I

F

A

D

H

H

G

G

T

T

P

M

F

F

R

Y

R

T

A

A

V

P

E

K

E

E

G

G

L

L

L

I

D

D

C

P

E

N

R

H

V

S

V

V

Q

Q

I

I

G

G

L

I

R

R

G

-

T

-

G

-

Y

-

A

-

E

T

D

E

F

F

D

D

W

-

C

-

R

K

D

D

Q

N

G

G

F

F

D

T

V

V

V

L

Q

D

A

A

E

C

A

Q

C

V

W

N

N

D

Q

R

S

S

L

V

A

D

P

D

L

V

M

I

A

A

R

Q

V

V

R

K

E

Q

R

I

M

V

G

G

D

D

G

M

P

P

V

V

Y

Y

I

L

T

T

F

F

D
|
D

I

I

D
|
D

G

C

I

L

D

D

P

P

A

A

F

F

A

A

P

P

G

G

T

T

G

G

T

T

P

P

E

V

I

I

A

G

G

G

L

L

T

T

V

S

P

D

Q

R

A

A

L

I

E

K

I

L

I

V

R

R

G

G

A

L

R

K

G

D

L

L

N

N

I

I

V

V

G

G

C

M

D

D

L

V

V

V

E

E

V

V

A

A

P

P

P

A

Y

Y

D

D

binding manganese (ii) ion: H133 (= H135), D156 (= D158), D156 (= D158), H158 (= H160), D160 (= D162), D237 (= D249), D237 (= D249), D239 (= D251)

P60651 Agmatinase; Agmatine ureohydrolase; AUH; EC 3.5.3.11 from Escherichia coli (strain K12) (see paper)
41% identity, 81% coverage: 32:299/329 of query aligns to 19:280/306 of P60651

query
sites
P60651

M

F

M

L

R

R

L

L

P

P

N

M

V

N

G

F

S

Q

A

P

E

Y

G

D

F

S

D

D

A

A

C

D

F

W

V

V

-

I

-

T

G

G

V

V

P

P

F

F

D

D

L

M

G

A

T

T

S

S

N

G

R

R

T

A

G

G

A

G

R

R

F

H

G

G

P

P

R

A

Q

A

I

I

R

R

S

Q

E

V

S

S

V

T

L

N

L

L

R

A

-

W

-

E

-

H

-

N

-

R

-

F

P

P

Y

W

N

N

M

F

A

D

T

M

R

R

A

-

P

-

F

-

D

E

S

R

L

L

R

N

V

V

A

V

D

D

L

C

G

G

D

D

V

L

A

V

I

Y

N

A

P

F

Y

G

N

D

L

A

H

R

D

E

S

M

I

S

A

E

R

K

I

L

E

Q

T

A

A

H

Y

A

D

E

E

K

I

L

L

L

Q

A

H

A

D

G

C

K

K

R

P

M

V

L

T

S

L

F

G

G

D

D

H

H

T

F

I

V

A

T

L

L

P

P

I

L

L

L

R

R

A

A

I

H

H

A

R

K

K

H

H

F

G

G

K

K

V

M

G

A

L

L

I

V

H

H

V

F

D

D

A

A

H

H

A

T

D

D

V

T

N

Y

D

A

T

N

M

-

G

G

E

C

K

E

I

F

A

D

H
|
H

G

G

T

T

P

M

F

F

R

Y

R

T

A

A

V

P

E

K

E

E

G

G

L

L

L

I

D

D

C

P

E

N

R

H

V

S

V

V

Q

Q

I

I

G

G

L

I

R

R

G

-

T

-

G

-

Y

-

A

-

E

T

D

E

F

F

D

D

W

-

C

-

R

K

D

D

Q

N

G

G

F

F

D

T

V

V

V

L

Q

D

A

A

E

C

A

Q

C

V

W

N

N

D

Q

R

S

S

L

V

A

D

P

D

L

V

M

I

A

A

R

Q

V

V

R

K

E

Q

R

I

M

V

G

G

D

D

G

M

P

P

V

V

Y

Y

I

L

T

T

F

F

D

D

I

I

D

D

G

C

I

L

D

D

P

P

A

A

F

F

A

A

P

P

G

G

T

T

G

G

T

T

P

P

E

V

I

I

A

G

G

G

L

L

T

T

V

S

P

D

Q

R

A

A

L

I

E

K

I

L

I

V

R

R

G

G

A

L

R

K

G

D

L

L

N

N

I

I

V

V

G

G

C

M

D

D

L

V

V

V

E

E

V

V

A

A

P

P

P

A

Y

Y

D

D

H163 (= H174) mutation to F: Loss of activity.

7lolA The structure of agmatinase from e. Coli at 1.8 a displaying urea and agmatine (see paper)
41% identity, 81% coverage: 32:299/329 of query aligns to 9:270/294 of 7lolA

query
sites
7lolA

M

F

M

L

R

R

L

L

P

P

N

M

V

N

G

F

S

Q

A

P

E

Y

G

D

F

S

D

D

A

A

C

D

F

W

V

V

-

I

-

T

G

G

V

V

P

P

F

F

D

D

L

M

G

A

T

T

S

S

N

G

R

R

T

A

G

G

A

G

R

R

F

H

G

G

P

P

R

A

Q

A

I

I

R

R

S

Q

E

V

S

S

V

T

L

N

L

L

R

A

-

W

-

E

-

H

-

N

-

R

-

F

P

P

Y

W

N

N

M

F

A

D

T

M

R

R

A

-

P

-

F

-

D

E

S

R

L

L

R

N

V

V

A

V

D

D

L

C

G

G

D

D

V

L

A

V

I

Y

N

A

P

F

Y

G

N

D

L

A

H

R

D

E

S

M

I

S

A

E

R

K

I

L

E

Q

T

A

A

H

Y

A

D

E

E

K

I

L

L

L

Q

A

H

A

D

G

C

K

K

R

P

M

V

L

T

S

L

F

G

G

D

D

H
|
H

T

F

I

V

A

T

L

L

P

P

I

L

L

L

R

R

A

A

I

H

H

A

R

K

K

H

H

F

G

G

K

K

V

M

G

A

L

L

I

V

H

H

V

F

D
|
D

A

A

H
|
H

A

T

D
|
D

V

T

N
x
Y

D

A

T

N

M

-

G

G

E

C

K

E

I

F

A

D

H
|
H

G

G

T

T

P

M

F

F

R

Y

R

T

A

A

V

P

E

K

E

E

G

G

L

L

L

I

D

D

C

P

E

N

R

H

V

S

V

V

Q

Q

I

I

G

G

L

I

R

R

G

-

T

-

G

-

Y

-

A

-

E

T

D

E

F

F

D

D

W

-

C

-

R

K

D

D

Q

N

G

G

F

F

D

T

V

V

V

L

Q

D

A

A

E

C

A

Q

C

V

W

N

N

D

Q

R

S

S

L

V

A

D

P

D

L

V

M

I

A

A

R

Q

V

V

R

K

E

Q

R

I

M

V

G

G

D

D

G

M

P

P

V

V

Y

Y

I

L

T

T

F

F

D
|
D

I

I

D
|
D

G

C

I

L

D

D

P

P

A

A

F

F

A

A

P

P

G

G

T

T

G

G

T
|
T

P

P

E

V

I

I

A

G

G

G

L

L

T

T

V

S

P

D

Q

R

A

A

L

I

E

K

I

L

I

V

R

R

G

G

A

L

R

K

G

D

L

L

N

N

I

I

V

V

G

G

C

M

D

D

L

V

V

V

E
|
E

V

V

A

A

P

P

P

A

Y

Y

D

D

binding agmatine: H141 (= H160), Y145 (≠ N164), H153 (= H174), T234 (= T263)
binding manganese (ii) ion: H116 (= H135), D139 (= D158), D139 (= D158), H141 (= H160), D143 (= D162), D220 (= D249), D220 (= D249), D222 (= D251)
binding urea: H116 (= H135), H141 (= H160), D143 (= D162), H153 (= H174), D220 (= D249), E264 (= E293)

7loxA The structure of agmatinase from e. Coli at 3.2 a displaying guanidine in the active site (see paper)
40% identity, 81% coverage: 32:299/329 of query aligns to 5:260/284 of 7loxA

query
sites
7loxA

M

F

M

L

R

R

L

L

P

P

N

M

V

N

G

F

S

Q

A

P

E

Y

G

D

F

S

D

D

A

A

C

D

F

W

V

V

-

I

-

T

G

G

V

V

P

P

F

F

D

D

L

-

G

-

T

-

S

-

N

-

R

-

T

A

G

G

A

G

R

R

F

H

G

G

P

P

R

A

Q

A

I

I

R

R

S

Q

E

V

S

S

V

T

L

N

L

L

R

A

-

W

-

E

-

H

-

N

-

R

-

F

P

P

Y

W

N

N

M

F

A

D

T

M

R

R

A

-

P

-

F

-

D

E

S

R

L

L

R

N

V

V

A

V

D

D

L

C

G

G

D

D

V

L

A

V

I

Y

N

A

P

F

Y

G

N

D

L

A

H

R

D

E

S

M

I

S

A

E

R

K

I

L

E

Q

T

A

A

H

Y

A

D

E

E

K

I

L

L

L

Q

A

H

A

D

G

C

K

K

R

P

M

V

L

T

S

L

F

G

G

D

D

H
|
H

T

F

I

V

A

T

L

L

P

P

I

L

L

L

R

R

A

A

I

H

H

A

R

K

K

H

H

F

G

G

K

K

V

M

G

A

L

L

I

V

H

H

V

F

D
|
D

A

A

H
|
H

A
x
T

D
|
D

V

T

N
x
Y

D

A

T

N

M

-

G

G

E

C

K

E

I

F

A

D

H
|
H

G

G

T

T

P

M

F

F

R

Y

R

T

A

A

V

P

E

K

E

E

G

G

L

L

L

I

D

D

C

P

E

N

R

H

V

S

V

V

Q

Q

I

I

G

G

L

I

R

R

G

-

T

-

G

-

Y

-

A

-

E

T

D

E

F

F

D

D

W

-

C

-

R

K

D

D

Q

N

G

G

F

F

D

T

V

V

V

L

Q

D

A

A

E

C

A

Q

C

V

W

N

N

D

Q

R

S

S

L

V

A

D

P

D

L

V

M

I

A

A

R

Q

V

V

R

K

E

Q

R

I

M

V

G

G

D

D

G

M

P

P

V

V

Y

Y

I

L

T

T

F

F

D
|
D

I

I

D
|
D

G

C

I

L

D

D

P

P

A

A

F

F

A

A

P

P

G

G

T

T

G

G

T

T

P

P

E

V

I

I

A

G

G

G

L

L

T

T

V

S

P

D

Q

R

A

A

L

I

E

K

I

L

I

V

R

R

G

G

A

L

R

K

G

D

L

L

N

N

I

I

V

V

G

G

C

M

D

D

L

V

V

V

E

E

V

V

A

A

P

P

P

A

Y

Y

D

D

binding guanidine: H106 (= H135), D129 (= D158), H131 (= H160), H131 (= H160), T132 (≠ A161), D133 (= D162), D133 (= D162), Y135 (≠ N164), H143 (= H174), D210 (= D249), D212 (= D251)
binding manganese (ii) ion: H106 (= H135), D129 (= D158), D129 (= D158), H131 (= H160), D133 (= D162), D210 (= D249), D210 (= D249), D212 (= D251)

7esrA Crystal structure of synechocystis sp pcc6803 guanidinium hydrolase (r32) (see paper)
35% identity, 92% coverage: 18:319/329 of query aligns to 46:354/378 of 7esrA

query
sites
7esrA

L

F

S

S

G

R

N

G

A

E

M

L

P

P

R

H

S

Y

G

A

G

G

I

I

A

N

T

T

M

F

M

M

R

K

L

A

P

P

-

Y

-

L

-

E

N

D

V

V

G

R

S

E

A

V

E

G

G

K

F

Y

D

D

A

V

C

A

F

I

V

V

G

G

V

V

P

P

F

H

D

D

L

S

G

G

T

T

S

T

N

Y

R

R

T

P

G

G

A

T

R

R

F

F

G

G

P

P

R

Q

Q

G

I

I

R

R

S

R

E

I

S

S

V

A

L

L

L

Y

R

T

P

P

Y

Y

N

N

M

F

A

E

T

M

R

G

A

V

A

D

P

L

F

R

D

E

S

Q

L

I

R

S

V

L

A

C

D

D

L

V

G

G

D

D

V

I

A

F

I

T

N

I

P

P

Y

A

N

N

L

N

H

E

D

K

S

S

I

F

A

D

R

Q

I

I

E

S

T

K

A

G

Y

I

D

A

E

H

I

I

L

F

Q

S

H

S

D

G

C

A

K

F

P

P

V

I

T

I

L

L

G

G

D

D

H
|
H

T

S

I

I

A

G

L

F

P

P

I

T

L

V

R

R

A

G

I

I

H

C

R

R

K

H

H

L

G

G

-

D

-

K

K

K

V

V

G

G

L

I

I

I

H

H

V

F

D
|
D

A

R

H
|
H

A

V

D
|
D

V

T

N

Q

D

E

T

T

M

D

M

L

G

D

E

E

K

R

I

M

A

-

H

H

G

T

T

C

P

P

F

W

R

F

R

H

A

A

V

T

E

N

E

M

G

A

L

N

L

A

D

P

C

A

E

K

R

N

V

L

V

V

Q

Q

I

L

G

G

L

I

R

G

G

G

T

W

G

Q

Y

V

A

P

A

R

E

Q

D

G

F

V

D

K

W

V

C

C

R

R

D

E

Q

R

G

A

F

T

D

N

V

I

V

L

Q

T

A

V

E

T

A

D

C

I

W

T

N

E

Q

M

S

S

L

L

A

D

P

A

L

A

M

A

A

D

R

F

V

A

R

I

E

A

R

R

M

A

G

T

D

D

G

G

P

T

-

D

-

C

V

V

Y

W

I

I

T

S

F

F

D
|
D

I

I

D
|
D

G

C

I

I

D

D

P

A

A

G

F

F

A

V

P

P

G

G

T

T

G

G

T

W

P

P

E

E

I

P

A

G

G

G

L

L

T

L

V

P

P

R

Q

E

A

A

L

L

E

Y

I

L

-

K

R

R

G

I

A

I

R

R

G

E

L

T

N

N

I

V

V

C

G

G

C

M

D

E

L

V

V

V

E

E

V

V

A

S

P

P

Y

Y

D

D

P

I

F

S

G

D

T

M

T

T

A

S

L

L

L

M

A

A

A

T

N

R

L

V

A

I

F

C

E

D

L

T

L

M

C

A

V

H

L

L

binding calcium ion: H166 (= H135), D191 (= D158), D191 (= D158), H193 (= H160), D195 (= D162), D283 (= D249), D283 (= D249), D285 (= D251)

1wogA Crystal structure of agmatinase reveals structural conservation and inhibition mechanism of the ureohydrolase superfamily (see paper)
36% identity, 88% coverage: 27:317/329 of query aligns to 8:296/303 of 1wogA

query
sites
1wogA

G

G

I

I

A

P

T

T

M

F

M

A

R

R

L

A

P

P

N

L

V

V

G

Q

S

P

A

D

E

G

G

D

F

W

-

Q

-

A

D

D

A

V

C

A

F

A

V

L

G

G

V

V

P

P

F

F

D

D

L

I

G

A

T

L

S

G

N

F

R

R

T

P

G

G

A

A

R

R

F

F

G

A

P

P

R

R

Q

A

I

L

R

R

S

E

E

A

S

S

V

L

L

R

-

S

L

V

R

P

P

P

Y

F

N

T

M

G

A

L

T

D

R

G

A

K

A

T

P

R

F

L

D

Q

S

G

L

V

R

T

V

F

A

A

D

D

L

A

G

G

D

D

V

V

-

I

-

L

-

P

A

S

I

L

N

E

P

P

Y

Q

N

L

L

A

H

H

D

D

S

-

I

-

A

-

R

R

I

I

E

T

T

E

A

A

Y

A

D

R

E

Q

I

V

L

R

Q

G

H

R

D

C

C

R

K

V

P

P

V

V

T

F

L

L

G

G

D

D

H
|
H

T

S

I

V

A

S

L

Y

P

P

I

L

L

L

R

R

A

A

I

F

H

A

R

-

K

D

H

V

G

P

K

D

V

L

G

H

L

V

I

V

H

Q

V

L

D
|
D

A

A

H
|
H

A
x
L

D
|
D

V

F

N

T

D

D

T

T

M

R

M

N

G

D

E

T

K

K

I

W

A

S

H
x
N

G
x
S

T

S

P

P

F

F

R

R

A

A

V

C

E

E

E

-

G

A

L

L

L

P

D

N

C

L

E

V

R

H

V

I

V

T

Q

T

I

V

G

G

L

L

R

R

G

G

T

L

G

R

Y

F

A

D

A

P

E

E

D

A

F

V

D

A

W

A

C

A

R

R

D

A

Q

R

G

G

F

H

D

T

V

I

Q

P

A

M

E

D

A

D

C

V

W

-

N

T

Q

A

S

D

L

L

A

A

P

G

L

V

M

L

A

A

R

Q

V

L

R

P

E

R

R

G

M

Q

G

N

D

-

G

-

P

-

V

V

Y

Y

I

F

T

S

F

V

D
|
D

I

V

D
|
D

G

G

I

F

D

D

P

P

A

A

F

V

A

I

P

P

G

G

T

T

G

S

T

S

P

P

E

E

I

P

A

D

G

G

L

L

T

T

V

Y

P

A

Q

Q

A

G

L

M

E

K

I

I

I

L

-

A

R

A

G

A

A

A

R

A

G

N

L

N

N

T

I

V

V

V

G

G

C

L

D

D

L

L

V

V

E
|
E

V

L

A

A

P

P

P

N

Y

L

D

D

P

P

F

T

G

G

T

R

T

S

A

E

L

L

A

M

A

A

N

R

L

L

A

V

F

M

E

E

L

T

L

L

C

C

active site: H119 (= H135), D141 (= D158), H143 (= H160), D145 (= D162), N157 (≠ H174), D227 (= D249), D229 (= D251), E272 (= E293)
binding hexane-1,6-diamine: H143 (= H160), L144 (≠ A161), D145 (= D162), N157 (≠ H174), S158 (≠ G175), D227 (= D249), E272 (= E293)
binding manganese (ii) ion: H119 (= H135), D141 (= D158), D141 (= D158), H143 (= H160), D145 (= D162), D227 (= D249), D227 (= D249), D229 (= D251)

3lhlA Crystal structure of a putative agmatinase from clostridium difficile
30% identity, 82% coverage: 50:319/329 of query aligns to 11:271/276 of 3lhlA

query
sites
3lhlA

G

G

V

V

P

G

F

F

D

D

L

G

G

T

T

T

S

S

N

N

R

R

T

P

G

G

A

A

R

R

F

F

G

A

P

S

R

S

Q

S

I

M

R

R

S

K

E

E

S

F

V

Y

L

G

L

L

R

E

P

T

Y

Y

N

-

M

-

A

-

T

-

R

-

A

-

A

S

P

P

F

F

D

L

S

D

L

L

R

-

V

-

A

-

D

D

L

L

G

E

D

D

V

Y

A

N

I

I

N

C

P

D

Y

Y

-

G

N

D

L

L

H

E

D

I

S

S

I

V

A

G

R

S

I

T

E

E

T

Q

A

V

Y

L

D

K

E

E

I

I

L

Y

Q

Q

H

E

D

T

C

Y

K

K

-

I

-

V

-

R

-

D

-

S

-

K

-

V

P

P

V

F

T

M

L

I

G

G

D

E

H
|
H

T

L

I

V

A

T

L

L

P

P

I

A

L

F

R

K

A

A

I

V

H

H

R

E

K

K

H

Y

G

N

K

D

V

I

G

Y

L

V

I

I

H

H

V

F

D
|
D

A

A

H
|
H

A

T

D
|
D

V

L

N

R

D

E

T

E

M

Y

M

N

G

N

E

S

K

K

I

N

A

S

H
|
H

G

A

T

T

P

V

F

I

R

K

R

R

A

I

V

W

E

D

E

-

G

-

L

I

L

V

D

G

C

D

E

N

R

K

V

I

V

F

Q

Q

I

F

G

G

L

I

R

R

G

S

T

G

G

-

Y

-

A

T

A

K

E

E

D

E

F

F

D

K

W

F

C

A

R

T

D

E

Q

E

G

K

F

H

D

T

V

Y

V

M

Q

E

A

I

E

G

A

G

C

I

W

-

N

-

Q

-

S

-

L

-

A

-

P

D

L

T

M

F

A

E

R

N

V

I

R

V

E

N

R

M

M

L

G

N

D

G

G

K

P

N

V

I

Y

Y

I

L

T

T

F

I

D
|
D

I

L

D
|
D

G

V

I

L

D

D

P

A

A

S

F

V

A

F

P

P

G

G

T

T

G

G

T

T

P

P

E

E

I

P

A

G

G

G

L

V

T

N

V

Y

P

R

Q

E

A

F

L

Q

E

E

I

I

I

F

R

K

G

I

A

I

R

K

-

N

-

S