SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_111606234.1 NCBI__GCF_003259225.1:WP_111606234.1 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 13 hits to proteins with known functional sites (download)

2y4oB Crystal structure of paak2 in complex with phenylacetyl adenylate (see paper)
67% identity, 97% coverage: 12:436/439 of query aligns to 6:432/432 of 2y4oB

query
sites
2y4oB

L

L

D

E

P

P

M

I

E

E

T

T

A

A

S

S

I

R

D

D

E

E

L

L

R

Q

A

A

H

L

Q

Q

L

L

E

E

R

R

L

L

Q

K

W

W

T

S

V

L

R

R

H

H

A

A

Y

Y

N

D

N

N

V

V

P

P

M

H

Y

Y

K

R

Q

R

R

T

F

F

D

D

Q

A

L

A

G

G

L

V

H

H

P

P

D

D

D

D

I

L

K

K

T

S

L

L

D

A

D

D

L

L

A

A

K

K

L

F

P

P

F

F

T

S

T

T

K

K

S

N

D

D

L

L

R

R

D

D

N

N

Y

Y

P

P

Y

F

G

G

M

L

F

F

A

A

T

V

P

P

M

R

N

E

Q

Q

V

V

V

V

R

R

L

V

H

H

A

A

S

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S

S

G

G

T

T

T

T

G

G

K

K

P

P

T

T

V

V

V

V

G

G

Y

Y

T

T

Q

A

N

R

D

D

I

I

D

D

N

T

W

W

A

A

N

N

I

V

V

T

A

A

R

R

S

S

I

I

R

R

A

A

A

A

G

G

G

G

R

R

K

P

G

G

D

D

M

T

L

L

H

H

N

N

A

A

Y
x
F

G

G

Y

Y

G

G

L

L

F
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F

T

T

G

G

G

G

L

L

G

G

A

I

H

H

Y

Y

G

G

A

A

E

E

R

R

L

L

G

G

C

C

T

M

V

V

I

V

P

P

M

M

S

S

G

G

G

G

Q

Q

T

T

E

E

K

K

Q

Q

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V

R

Q

L

L

I

I

Q

R

D

D

F

F

Q

E

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P

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K

I

I

I

I

M

L

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V

T

T

P

P

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S

Y

Y

M

M

L

L

N

N

L

L

L

I

D

D

E

E

M

M

E

V

K

R

Q

Q

G

G

I

M

D

D

P

P

L

A

G

E

L
x
S

K

S

L

L

R

K

L

I

G

G

I

I

F

F

G
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G

A
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A

E
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E

P
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P

W

W

T

T

Q

Q

E

A

L

L

R

R

R

N

S

E

V

V

E

E

E

T

R

R

A
x
V

G

G

I

I

R

D

A

A

M

L

D

D

I
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I

Y

Y

G
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G

L
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L

S
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S

E

E

I

V

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M

G

G

P
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P

G

G

V

V

A

A

M

C

E

E

C

C

A

V

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E

S

T

Q

K

D

D

G

G

P

P

T

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V

I

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W

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E

D

D

H

H

F

F

Y

Y

P

P

E

E

I

I

V

I

D

D

P

P

N

V

T

T

G

G

E

E

V

V

L

L

P

P

D

D

G

G

E

S

M

Q

G

G

E

E

L

L

V

V

F

F

T

T

S

S

L

L

S

T

K

K

E

E

A

A

L

M

P

P

M

V

I

I

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R

Y

Y

R

R

T

T

R

R

D
|
D

L

L

T

T

R

A

L

L

L

L

P

P

G

P

T

T

A

A

R

R

R

A

M

M

R

R

R

R

I

L

D

A

K

K

I

I

T

T

G

G

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R

S

S

D

D

D

D

M

M

M

L

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I

I

V

R

R

G

G

V

V

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N

V

V

F

F

P

P

T

S

Q

Q

I

I

E

E

E

E

E

I

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V

I

V

K

A

V

L

N

P

H

L

F

L

S

S

E

G

S

Q

Y

F

E

Q

I

I

H

T

L

L

Y

S

R

R

K

D

G

G

N

H

M

M

D

D

S

R

M

L

D

D

V

L

H

A

V

V

E

E

L

L

R

R

P

S

D

E

C

A

A

A

G

A

-

S

F

V

D

T

E

D

Q

G

E

E

I

R

N

A

D

A

A

L

I

A

N

R

E

E

L

L

R

Q

H

H

H

R

V

I

K

K

S

T

S

M

V

V

G

G

I

V

S

S

I

S

S

G

V

V

K

T

L

V

R

L

E

A

I

A

G

G

S

G

I

I

-

P

A

A

R

T

S

A

E

T

G

G

K

K

A

A

K

R

H

R

V

V

Y

I

D

D

E

R

R

R

binding 5'-o-[hydroxy(phenylacetyl)phosphoryl]adenosine: F135 (≠ Y141), F140 (= F146), G212 (= G218), A213 (= A219), E214 (= E220), P215 (= P221), I235 (= I241), G237 (= G243), L238 (= L244), S239 (= S245), P244 (= P250), D304 (= D310), R325 (= R331), I331 (= I337), N336 (= N342)
binding magnesium ion: S204 (≠ L210), V228 (≠ A234)

2y4oA Crystal structure of paak2 in complex with phenylacetyl adenylate (see paper)
67% identity, 97% coverage: 12:436/439 of query aligns to 6:432/433 of 2y4oA

query
sites
2y4oA

L

L

D

E

P

P

M

I

E

E

T

T

A

A

S

S

I

R

D

D

E

E

L

L

R

Q

A

A

H

L

Q

Q

L

L

E

E

R

R

L

L

Q

K

W

W

T

S

V

L

R

R

H

H

A

A

Y

Y

N

D

N

N

V

V

P

P

M

H

Y

Y

K

R

Q

R

R

T

F

F

D

D

Q

A

L

A

G

G

L

V

H

H

P

P

D

D

D

D

I

L

K

K

T

S

L

L

D

A

D

D

L

L

A

A

K

K

L

F

P

P

F

F

T

S

T

T

K

K

S

N

D

D

L

L

R

R

D

D

N

N

Y

Y

P

P

Y

F

G

G

M

L

F

F

A

A

T

V

P

P

M

R

N

E

Q

Q

V

V

V

V

R

R

L

V

H

H

A

A

S

S

S

S

G

G

T

T

T

T

G

G

K

K

P

P

T

T

V

V

V

V

G

G

Y

Y

T

T

Q

A

N

R

D

D

I

I

D

D

N

T

W

W

A

A

N

N

I

V

V

T

A

A

R

R

S

S

I

I

R

R

A

A

A

A

G

G

G

G

R

R

K

P

G

G

D

D

M

T

L

L

H

H

N

N

A

A

Y
x
F

G

G

Y

Y

G

G

L

L

F
|
F

T

T

G

G

G

G

L

L

G

G

A

I

H

H

Y

Y

G

G

A

A

E

E

R

R

L

L

G

G

C

C

T

M

V

V

I

V

P

P

M

M

S

S

G

G

G

G

Q

Q

T

T

E

E

K

K

Q

Q

V

V

R

Q

L

L

I

I

Q

R

D

D

F

F

Q

E

P

P

D

K

I

I

I

I

M

L

V

V

T

T

P

P

S

S

Y

Y

M

M

L

L

N

N

L

L

L

I

D

D

E

E

M

M

E

V

K

R

Q

Q

G

G

I

M

D

D

P

P

L

A

G

E

L

S

K

S

L

L

R

K

L

I

G

G

I

I

F

F

G

G

A
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A

E
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E

P
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P

W

W

T

T

Q

Q

E

A

L

L

R

R

R

N

S

E

V

V

E

E

E

T

R

R

A

V

G

G

I

I

R

D

A

A

M

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I

Y

Y

G
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G

L
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L

S
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S

E

E

I

V

M

M

G

G

P
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P

G

G

V

V

A

A

M

C

E

E

C

C

A

V

E

E

S

T

Q

K

D

D

G

G

P

P

T

V

V

I

W

W

E

E

D

D

H

H

F

F

Y

Y

P

P

E

E

I

I

V

I

D

D

P

P

N

V

T

T

G

G

E

E

V

V

L

L

P

P

D

D

G

G

E

S

M

Q

G

G

E

E

L

L

V

V

F

F

T

T

S

S

L

L

S

T

K

K

E

E

A

A

L

M

P

P

M

V

I

I

R

R

Y

Y

R

R

T

T

R

R

D
|
D

L

L

T

T

R

A

L

L

L

L

P

P

G

P

T

T

A

A

R

R

R

A

M

M

R

R

R

R

I

L

D

A

K

K

I

I

T

T

G

G

R
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R

S

S

D

D

D

D

M

M

M

L

I
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I

I

V

R

R

G

G

V

V

N
|
N

V

V

F

F

P

P

T

S

Q

Q

I

I

E

E

E

E

E

I

V

V

I

V

K

A

V

L

N

P

H

L

F

L

S

S

E

G

S

Q

Y

F

E

Q

I

I

H

T

L

L

Y

S

R

R

K

D

G

G

N

H

M

M

D

D

S

R

M

L

D

D

V

L

H

A

V

V

E

E

L

L

R

R

P

S

D

E

C

A

A

A

G

A

-

S

F

V

D

T

E

D

Q

G

E

E

I

R

N

A

D

A

A

L

I

A

N

R

E

E

L

L

R

Q

H

H

H

R

V

I

K

K

S

T

S

M

V

V

G

G

I

V

S

S

I

S

S

G

V

V

K

T

L

V

R

L

E

A

I

A

G

G

S

G

I

I

-

P

A

A

R

T

S

A

E

T

G

G

K

K

A

A

K

R

H

R

V

V

Y

I

D

D

E

R

R

R

binding 5'-o-[hydroxy(phenylacetyl)phosphoryl]adenosine: F135 (≠ Y141), F140 (= F146), A213 (= A219), E214 (= E220), P215 (= P221), I235 (= I241), G237 (= G243), L238 (= L244), S239 (= S245), P244 (= P250), D304 (= D310), R325 (= R331), I331 (= I337), N336 (= N342)

2y27B Crystal structure of paak1 in complex with atp from burkholderia cenocepacia (see paper)
66% identity, 97% coverage: 9:436/439 of query aligns to 1:427/427 of 2y27B

query
sites
2y27B

P

P

D

L

Q

P

L

L

D

E

P

P

M

I

E

E

T

T

A

A

S

S

I

R

D

D

E

E

L

L

R

T

A

A

H

L

Q

Q

L

L

E

E

R

R

L

L

Q

K

W

W

T

S

V

L

R

R

H

H

A

A

Y

Y

N

D

N

H

V

S

P

P

M

V

Y

Y

K

R

Q

R

R

K

F

F

D

D

Q

E

L

A

G

G

L

V

H

H

P

P

D

D

D

D

I

L

K

K

T

T

L

L

D

A

D

D

L

L

A

S

K

R

L

F

P

P

F

F

T

T

T

T

K
|
K

S

G

D

D

L

L

R

R

D

D

N

S

Y

Y

P

P

Y

F

G

G

M

M

F

F

A

A

T

V

P

P

M

Q

N

D

Q

R

V

I

V

S

R

R

L

I

H

H

A

A

S
|
S

S
|
S

G
|
G

T
|
T

T
|
T

G

G

K

K

P

P

T

T

V

V

V

V

G

G

Y

Y

T

T

Q

A

N

A

D

D

I

I

D

D

N

T

W

W

A

A

N

N

I

L

V

V

A

A

R

R

S

S

I

I

R

R

A

A

A

A

G

G

G

A

R

R

K

R

G

G

D

D

M

K

L

V

H

H

N

V

A

S

Y

Y

G

G

Y

Y

G

G

L

L

F
|
F

T

T

G

G

G

G

L

L

G

G

A

A

H

H

Y

Y

G

G

A

A

E

E

R

R

L

A

G

G

C

L

T

T

V

V

I

I

P

P

M

F

S

G

G

G

G

G

Q

Q

T

T

E

E

K

K

Q

Q

V

V

R

Q

L

L

I

I

Q

Q

D

D

F

F

Q

R

P

P

D

D

I

I

I

I

M

M

V

V

T

T

P

P

S

S

Y

Y

M

M

L

L

N

S

L

I

L

A

D

D

E

E

M

I

E

E

K

R

Q

Q

G

G

I

L

D

D

P

P

L
x
V

G

Q

L
x
S

K

S

L
|
L

R

R

L

I

G

G

I

I

F

F

G

G

A
|
A

E
|
E

P
|
P

W

W

T

T

Q

N

E

D

L

M

R

R

R

V

S

A

V

I

E

E

E

Q

R

R

A
x
M

G
|
G

I

I

R

D

A

A

M

V

D
|
D

I
|
I

Y
|
Y

G
|
G

L
|
L

S
|
S

E

E

I

V

M

M

G

G

P

P

G

G

V

V

A

A

M

S

E

E

C

C

A

V

E

E

S

T

Q

K

D

D

G

G

P

P

T

T

V

I

W

W

E

E

D

D

H

H

F

F

Y

Y

P

P

E

E

I

I

V

I

D

D

P

P

N

E

T

T

G

G

E

E

V

V

L

L

P

P

D

D

G

G

E

E

M

L

G

G

E

E

L

L

V

V

F

F

T

T

S

S

L

L

S

T

K

K

E

E

A

A

L

L

P

P

M

I

I

I

R

R

Y

Y

R

R

T

T

R

R

D
|
D

L

L

T

T

R

R

L

L

L

L

P

P

G

G

T

T

A

A

R

R

R

T

M

M

R

R

R

R

I

M

D

E

K

K

I
|
I

T

T

G

G

R
|
R

S

S

D

D

D

D

M

M

M

M

I

I

I

V

R

R

G

G

V

V

N

N

V

V

F

F

P

P

T

T

Q

Q

I

I

E

E

E

E

E

Q

V

L

I

L

K

K

V
x
Q

N

R

H

A

F
x
L

S

A

E

P

S

H

Y

Y

E

Q

I

I

H

V

L

L

Y

T

R

K

K

E

G

G

N

P

M

L

D

D

S

V

M

L

D

T

V

L

H

N

V

V

E

E

L

P

R

C

P

P

D

E

C

T

A

A

G

P

F

-

D

D

E

T

Q

A

E

A

I

I

N

Q

D

V

A

A

I

K

N

Q

E

A

L

L

R

A

H

Y

H

D

V

I

K

K

S

S

S

L

V

I

G

G

I

V

S

T

I

A

S

V

V

I

K

N

L

V

R

L

E

P

I

V

G

N

S

G

I

I

A

E

R

R

S

S

E

V

G

G

K
|
K

A

A

K

R

H

R

V

V

Y

V

D

D

E

K

R

R

binding adenosine-5'-triphosphate: K65 (= K73), S90 (= S98), S91 (= S99), G92 (= G100), T93 (= T101), T94 (= T102), F138 (= F146), A211 (= A219), E212 (= E220), P213 (= P221), D232 (= D240), I233 (= I241), Y234 (= Y242), G235 (= G243), L236 (= L244), S237 (= S245), D302 (= D310), I320 (= I328), R323 (= R331), K419 (= K428)
binding magnesium ion: V200 (≠ L208), S202 (≠ L210), L204 (= L212), M226 (≠ A234), G227 (= G235), Q347 (≠ V355), L350 (≠ F358)

2y4nA Paak1 in complex with phenylacetyl adenylate (see paper)
65% identity, 97% coverage: 9:436/439 of query aligns to 1:425/426 of 2y4nA

query
sites
2y4nA

P

P

D

L

Q

P

L

L

D

E

P

P

M

I

E

E

T

T

A

A

S

S

I

R

D

D

E

E

L

L

R

T

A

A

H

L

Q

Q

L

L

E

E

R

R

L

L

Q

K

W

W

T

S

V

L

R

R

H

H

A

A

Y

Y

N

D

N

H

V

S

P

P

M

V

Y

Y

K

R

Q

R

R

K

F

F

D

D

Q

E

L

A

G

G

L

V

H

H

P

P

D

D

D

D

I

L

K

K

T

T

L

L

D

A

D

D

L

L

A

S

K

R

L

F

P

P

F

F

T

T

T

T

K

K

S

G

D

D

L

L

R

R

D

D

N

S

Y

Y

P

P

Y

F

G

G

M

M

F

F

A

A

T

V

P

P

M

Q

N

D

Q

R

V

I

V

S

R

R

L

I

H

H

A

A

S

S

S

S

G

G

T

-

T

-

G

G

K

K

P

P

T

T

V

V

V

V

G

G

Y

Y

T

T

Q

A

N

A

D

D

I

I

D

D

N

T

W

W

A

A

N

N

I

L

V

V

A

A

R

R

S

S

I

I

R

R

A

A

A

A

G

G

G

A

R

R

K

R

G

G

D

D

M

K

L

V

H

H

N

V

A

S

Y
|
Y

G

G

Y

Y

G

G

L

L

F
|
F

T

T

G
|
G

G

G

L

L

G

G

A

A

H

H

Y

Y

G

G

A

A

E

E

R

R

L

A

G

G

C

L

T

T

V

V

I

I

P

P

M

F

S

G

G

G

G

G

Q

Q

T

T

E

E

K

K

Q

Q

V

V

R

Q

L

L

I

I

Q

Q

D

D

F

F

Q

R

P

P

D

D

I

I

I

I

M

M

V

V

T

T

P

P

S

S

Y

Y

M

M

L

L

N

S

L

I

L

A

D

D

E

E

M

I

E

E

K

R

Q

Q

G

G

I

L

D

D

P

P

L
x
V

G

Q

L
x
S

K

S

L

L

R

R

L

I

G

G

I

I

F

F

G
|
G

A
|
A

E
|
E

P
|
P

W

W

T

T

Q

N

E

D

L

M

R

R

R

V

S

A

V

I

E

E

E

Q

R

R

A

M

G

G

I

I

R

D

A

A

M

V

D

D

I
|
I

Y
|
Y

G
|
G

L
|
L

S
|
S

E

E

I

V

M

M

G

G

P
|
P

G

G

V

V

A

A

M

S

E

E

C

C

A

V

E

E

S

T

Q

K

D

D

G

G

P

P

T

T

V

I

W

W

E

E

D

D

H

H

F

F

Y

Y

P

P

E

E

I

I

V

I

D

D

P

P

N

E

T

T

G

G

E

E

V

V

L

L

P

P

D

D

G

G

E

E

M

L

G

G

E

E

L

L

V

V

F

F

T

T

S

S

L

L

S

T

K

K

E

E

A

A

L

L

P

P

M

I

I

I

R

R

Y

Y

R

R

T

T

R

R

D
|
D

L

L

T

T

R

R

L

L

L

L

P

P

G

G

T

T

A

A

R

R

R

T

M

M

R

R

R

R

I

M

D

E

K

K

I

I

T

T

G

G

R
|
R

S

S

D

D

D

D

M

M

M

M

I

I

I

V

R

R

G

G

V

V

N

N

V

V

F

F

P

P

T

T

Q

Q

I

I

E

E

E

E

E

Q

V

L

I

L

K

K

V
x
Q

N

R

H

A

F
x
L

S

A

E

P

S

H

Y

Y

E

Q

I

I

H

V

L

L

Y

T

R

K

K

E

G

G

N

P

M

L

D

D

S

V

M

L

D

T

V

L

H

N

V

V

E

E

L

P

R

C

P

P

D

E

C

T

A

A

G

P

F

-

D

D

E

T

Q

A

E

A

I

I

N

Q

D

V

A

A

I

K

N

Q

E

A

L

L

R

A

H

Y

H

D

V

I

K

K

S

S

S

L

V

I

G

G

I

V

S

T

I

A

S

V

V

I

K

N

L

V

R

L

E

P

I

V

G

N

S

G

I

I

A

E

R

R

S

S

E

V

G

G

K
|
K

A

A

K

R

H

R

V

V

Y

V

D

D

E

K

R

R

binding 5'-o-[hydroxy(phenylacetyl)phosphoryl]adenosine: Y131 (= Y141), F136 (= F146), G138 (= G148), G208 (= G218), A209 (= A219), E210 (= E220), P211 (= P221), I231 (= I241), Y232 (= Y242), G233 (= G243), L234 (= L244), S235 (= S245), P240 (= P250), D300 (= D310), R321 (= R331), K417 (= K428)
binding magnesium ion: V198 (≠ L208), S200 (≠ L210), Q345 (≠ V355), L348 (≠ F358)

4r1mA Crystal structure of a putative acyl-coa ligase (bt_0428) from bacteroides thetaiotaomicron vpi-5482 at 2.48 a resolution
46% identity, 97% coverage: 13:436/439 of query aligns to 9:433/435 of 4r1mA

query
sites
4r1mA

D

E

P

E

M

I

E

E

T

I

A

M

S

S

I

R

D

E

E

K

L

L

R

Q

A

E

H

L

Q

Q

L

L

E

Q

R

R

L

L

Q

K

W

K

T

T

V

I

R

N

H

I

A

A

Y

A

N

N

N

S

V

-

P

P

M

Y

Y

Y

K

K

Q

E

R

V

F

F

D

S

Q

K

L

N

G

G

L

I

H

T

P

G

D

D

D

S

I

I

K

Q

T

S

L

L

D

D

D

D

L

I

A

R

K

K

L

I

P

P

F

F

T

T

T

T

K

K

S

S

D

D

L

M

R

R

D

A

N

N

Y

Y

P

P

Y

F

G

G

M

L

F

V

A

A

T

G

P

D

M

M

N

K

Q

R

-

D

V

G

V

V

R

R

L

I

H

H

A

S

S

S

S

S

G

G

T

T

T

T

G

G

K

N

P

P

T

T

V

V

V

I

G

V

Y

H

T

S

Q

Q

N

H

D

D

I

L

D

D

N

S

W

W

A

A

N

N

I

L

V

V

A

A

R

R

S

C

I

L

R

Y

A

M

A

V

G

G

G

I

R

R

K

K

G

T

D

D

M

V

L

F

H

Q

N

N

A

S

Y

S

G

G

Y

Y

G

G

L

M

F

F

T

T

G

G

G

G

L

L

G

G

A

F

H

Q

Y

Y

G

G

A

A

E

E

R

R

L

L

G

G

C

C

T

L

V

T

I

V

P

P

M

A

S

A

G

A

G

G

Q

N

T

S

E

K

K

R

Q

Q

V

I

R

K

L

F

I

I

Q

S

D

D

F

F

Q

K

P

T

D

T

I

A

I

L

M

H

V

A

T

I

P

P

S

S

Y

Y

M

A

L

I

N

R

L

L

L

A

D

E

E

V

M

F

E

Q

K

E

Q

E

G

G

I

I

D

D

P

P

L

R

G

E

L

T

K

T

L

L

R

K

L

T

G

L

I

V

F

I

G

G

A
|
A

E
|
E

P
|
P

W

H

T

T

Q

D

E

E

L

Q

R

R

R

R

S

K

V

I

E

E

E

R

R

M

A

L

G

N

I

V

R

K

A

A

M

Y

D
x
N

I
x
S

Y
x
F

G
|
G

L
x
M

S
x
T

E

E

I

M

M

N

G

G

P

P

G

G

V

V

A

A

M

F

E

E

C
|
C

A

Q

E

E

S

-

Q

Q

D

N

G

G

P

M

T
x
H

V

F

W

W

E

E

D

D

H

C

F

Y

Y

L

P

V

E

E

I

I

V

I

D

D

P

P

N

E

T

T

G

G

E

E

V

P

L

V

P

P

D

E

G

G

E

E

M

I

G

G

E

E

L

L

V

V

F

L

T

T

S

T

L

L

S

D

K

R

E

E

A

M

L

M

P

P

M

L

I

I

R

R

Y

Y

R

R

T

T

R

R

D
|
D

L

L

T

T

R

R

L

I

L

L

P

P

G

G

-

K

-
x
C

-

P

T
x
C

A

G

R

R

R

T

M

H

R

L

R

R

I

I

D

D

K

R

I

I

T

K

G

G

R
|
R

S

S

D

D

D

D

M

M

M

F

I
|
I

I

I

R

K

G

G

V

V

N
|
N

V

I

F

F

P

P

T

M

Q

Q

I

V

E

E

E

K

E

I

V

L

I

V

K

Q

V

F

N

P

H

E

F

L

S

G

E

S

S

N

Y

Y

E

L

I

I

H

T

L

L

Y

E

R

T

K

V

G

N

N

N

M

Q

D

D

S

E

M

M

D

I

V

V

H

E

V

V

E

E

L

L

R

-

P

S

D

D

C

L

A

S

G

T

F

D

D

N

E

Y

Q

I

E

E

I

L

N

E

D

K

A

I

I

R

N

R

E

D

L

I

R

I

H

R

H

Q

V

L

K

K

S

D

S

E

V

I

G

L

I

V

S

T

I

P

S

K

V

V

K

K

L

L

R

V

E

K

I

K

G

G

S

S

I

L

A

P

R

Q

S

S

E

E

G

G

K

K

A

A

K

V

H

R

V

V

Y

K

D

D

E

L

R

R

binding adenosine monophosphate: A215 (= A219), E216 (= E220), P217 (= P221), N236 (≠ D240), S237 (≠ I241), F238 (≠ Y242), G239 (= G243), M240 (≠ L244), T241 (≠ S245), D305 (= D310), R329 (= R331), I335 (= I337), N340 (= N342)
binding zinc ion: C252 (= C256), H259 (≠ T264), C314 (vs. gap), C316 (≠ T318)

4r1lA Crystal structure of a putative acyl-coa ligase (bt_0428) from bacteroides thetaiotaomicron vpi-5482 at 2.42 a resolution
45% identity, 95% coverage: 13:427/439 of query aligns to 9:424/433 of 4r1lA

query
sites
4r1lA

D

E

P

E

M

I

E

E

T

I

A

M

S

S

I

R

D

E

E

K

L

L

R

Q

A

E

H

L

Q

Q

L

L

E

Q

R

R

L

L

Q

K

W

K

T

T

V

I

R

N

H

I

A

A

Y

A

N

N

N

S

V

-

P

P

M

Y

Y

Y

K

K

Q

E

R

V

F

F

D

S

Q

K

L

N

G

G

L

I

H

T

P

G

D

D

D

S

I

I

K

Q

T

S

L

L

D

D

D

D

L

I

A

R

K

K

L

I

P

P

F

F

T

T

T

T

K

K

S

S

D

D

L

M

R

R

D

A

N

N

Y

Y

P

P

Y

F

G

G

M

L

F

V

A

A

T

G

P

D

M

M

N

K

Q

R

-

D

V

G

V

V

R

R

L

I

H

H

A

S

S

S

S

S

G

G

T

T

T

T

G

G

K

N

P

P

T

T

V

V

V

I

G

V

Y

H

T

S

Q

Q

N

H

D

D

I

L

D

D

N

S

W

W

A

A

N

N

I

L

V

V

A

A

R

R

S

C

I

L

R

Y

A

M

A

V

G

G

G

I

R

R

K

K

G

T

D

D

M

V

L

F

H

Q

N

N

A
x
S

Y

S

G

G

Y

Y

G

G

L

M

F

F

T

T

G

G

G

G

L

L

G

G

A

F

H

Q

Y

Y

G

G

A

A

E

E

R

R

L

L

G

G

C

C

T

L

V

T

I

V

P

P

M

A

S

A

G
x
A

G
|
G

Q
x
N

T
x
S

E

K

K

R

Q

Q

V

I

R

K

L

F

I

I

Q

S

D

D

F

F

Q

K

P

T

D

T

I

A

I

L

M

H

V

A

T
x
I

P

P

S

S

Y
|
Y

M

A

L

I

N

R

L

L

L

A

D

E

E

V

M

F

E

Q

K

E

Q

E

G

G

I

I

D

D

P

P

L

R

G

E

L

T

K

T

L

L

R

K

L

T

G

L

I

V

F

I

G

G

A
|
A

E
|
E

P
|
P

W

H

T

T

Q

D

E

E

L

Q

R

R

R

R

S

K

V

I

E

E

E

R

R

M

A

L

G

N

I

V

R

K

A

A

M

Y

D

N

I
x
S

Y
x
F

G
|
G

L
x
M

S
x
T

E

E

I

M

M

N

G

G

P

P

G

G

V

V

A

A

M

F

E

E

C
|
C

A

Q

E

E

S

-

Q

Q

D

N

G

G

P

M

T
x
H

V

F

W

W

E

E

D

D

H

C

F

Y

Y

L

P

V

E

E

I

I

V

I

D

D

P

P

N

E

T

T

G

G

E

E

V

P

L

V

P

P

D

E

G

G

E

E

M

I

G

G

E

E

L

L

V

V

F

L

T

T

S

T

L

L

S

D

K

R

E

E

A

M

L

M

P

P

M

L

I

I

R

R

Y

Y

R

R

T

T

R

R

D
|
D

L

L

T

T

R

R

L

I

L

L

P

P

G

G

-

K

-
x
C

-

P

T
x
C

A

G

R

R

R

T

M

H

R

L

R

R

I

I

D

D

K

R

I

I

T

K

G

G

R
|
R

S

S

D

D

D

D

M

M

M

F

I

I

I

I

R
x
K

G

G

V

V

N
|
N

V

I

F

F

P

P

T

M

Q

Q

I

V

E

E

E

K

E

I

V

L

I

V

K

Q

V

F

N

P

H

E

F

L

S

G

E

S

S

N

Y

Y

E

L

I

I

H

T

L

L

Y

E

R

T

K

V

G

N

N

N

M

Q

D

D

S

E

M

M

D

I

V

V

H

E

V

V

E

E

L

L

R

-

P

S

D

D

C

L

A

S

G

T

F

D

D

N

E

Y

Q

I

E

E

I

L

N

E

D

K

A

I

I

R

N

R

E

D

L

I

R

I

H

R

H

Q

V

L

K

K

S

D

S

E

V

I

G

L

I

V

S
x
T

I

P

S

K

V

V

K

K

L

L

R

V

E

K

I

K

G

G

S

S

I

L

A

P

R

Q

S

S

E

E

G

A

binding adenosine-5'-diphosphate: A215 (= A219), E216 (= E220), P217 (= P221), S237 (≠ I241), F238 (≠ Y242), G239 (= G243), M240 (≠ L244), T241 (≠ S245), D305 (= D310), R329 (= R331), N340 (= N342)
binding adenosine monophosphate: A215 (= A219), E216 (= E220), P217 (= P221), S237 (≠ I241), F238 (≠ Y242), G239 (= G243), M240 (≠ L244), T241 (≠ S245), D305 (= D310), R329 (= R331), N340 (= N342)
binding coenzyme a: S136 (≠ A140), A164 (≠ G168), G165 (= G169), N166 (≠ Q170), S167 (≠ T171), I185 (≠ T189), Y188 (= Y192), K337 (≠ R339), T408 (≠ S411)
binding zinc ion: C252 (= C256), H259 (≠ T264), C314 (vs. gap), C316 (≠ T318)

6he0A Crystal structure of 2-hydroxyisobutyryl-coa ligase (hcl) in complex with 2-hib-amp and coa in the thioesterfication state (see paper)
30% identity, 96% coverage: 16:436/439 of query aligns to 30:464/477 of 6he0A

query
sites
6he0A

E

E

T

T

A

M

S

P

I

A

D

A

E

E

L

R

R

D

A

K

H

A

Q

I

L

L

E

G

R

R

L

L

Q

Q

W

Q

T

V

V

C

R

Q

H

Y

A

A

Y

W

N

E

N

H

V

A

P

P

M

F

Y

Y

K

R

Q

R

R

K

F

W

D

E

Q

E

L

A

G

G

L

F

H

Q

P

P

D

S

D

Q

I

L

K

K

T

S

L

L

D

E

D

D

L

F

-

E

A

A

K

R

L

V

P

P

F

V

T

V

T

K

K

K

S

T

D

D

L

L

R

R

D

E

N

S

Y

Q

-

A

-

A

-

H

-

P

P

P

Y

F

G

G

M

D

F

Y

-

V

A

C

T

V

P

P

M

N

N

S

Q

E

V

I

V

F

R

H

L

V

H

H

A

G

S

T

S

S

G

G

T

T

T

T

G

G

K

R

P

P

T

T

V

A

V

F

G

G

Y

I

T

G

Q

R

N

A

D

D

I

W

D

R

N

A

W

I

A

A

N

N

I

A

V

H

A

A

R

R

S

I

I

M

R

W

A

G

A

M

G

G

G

I

R

R

K

P

G

G

D

D

M

L

L

V

H

C

N

V

A

A

Y

A

G

V

Y

F

G

S

L

L

F
x
Y

T

M

G

G

G

S

L

W

G

G

A

A

H

L

Y

A

G

G

A

A

E

E

R

R

L

L

G

R

C

A

T

K

V

A

I

F

P

P

M

F

S

G

G
x
A

G
|
G

Q

A

T
x
P

E

G

K

M

Q
x
S

V

A

R

R

L

L

I

V

Q

Q

-

W

-

L

-

D

D

T

F

M

Q

K

P

P

D

A

I

A

I

F

M
x
Y

V
x
G

T
|
T

P

P

S

S

Y
|
Y

M

A

L

I

N
x
H

L

L

L

A

D

E

E

V

M

A

E

R

K

E

Q

E

G

K

I

L

D

N

P

P

L

R

G

N

L

F

K

G

L

L

R

K

L

C

G

L

I

F

F

F

G
x
S

A
x
G

E
|
E

P
|
P

W

G

T

A

Q

S

-

V

-

P

E

G

L

V

R

K

R

D

S

R

V

I

E

E

E

E

R

A

A

Y

G

G

I

A

R

K

A

V

M

Y

D

D

I
x
C

Y
x
G

G
x
S

L
x
M

S
x
A

E
|
E

I

-

M

M

G

S

P

P

G

F

V

M

A

N

M

V

E

A

C

G

A

T

E

E

-

Q

S

S

Q

N

D

D

G

G

P

M

T

L

V

C

W

W

E

Q

D

D

H

I

F

I

Y

Y

P

T

E

E

I

V

V

C

D

D

P

P

N

A

T

N

G

M

E

R

V

R

L

V

P

P

D

Y

G

G

E

Q

M

R

G

G

E

T

L

P

V

V

F

Y

T

T

S

H

L

L

S

E

K

R

E

T

A

S

L

Q

P

P

M

M

I

I

R

R

Y

L

R

L

T

S

R

G

D
|
D

L

L

T

T

R

L

L

W

L

T

-

N

-

D

-

E

-

N

P

P

G

C

T

G

A

R

R

T

R

Y

M

P

R

R

R

L

I

P

D

Q

K

G

I
|
I

T

F

G

G

R

R

S

I

D

D

D

D

M

M

M

F

I

T

I

I

R
|
R

G
|
G

V

E

N
|
N

V

I

F

Y

P

P

T

S

Q

E

I

I

E

D

E

A

E

A

V

L

I

N

K

Q

V

M

N

S

H

G

F

Y

S

G

E

G

S

E

Y

H

E

R

I

I

H

V

L

I

Y

T

R

R

K

E

G

S

N

A

M
|
M

D

D

S

E

M

L

D

L

V

L

H

R

V

V

E

E

L

P

R

S

P

E

D

S

C

V

A

H

G

A

F

A

D

G

E

A

Q

A

E

A

I

L

N

E

D

T

A

F

I

R

N

T

E

E

L

A

R

S

H

H

H

R

V

V

K

Q

S

T

S

V

V

L

G

G

I
x
V

S
x
R

I

A

S

K

V

V

K

E

L

L

R

V

E

A

I

P

G

N

S

S

I

I

A

A

R

R

S

T

E

D

G

-

K

K

A

A

K

R

H

R

V

V

Y

I

D

D

E

D

R

R

binding [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 2-methyl-2-oxidanyl-propanoate: S241 (≠ G218), G242 (≠ A219), E243 (= E220), P244 (= P221), G267 (≠ Y242), S268 (≠ G243), M269 (≠ L244), A270 (≠ S245), D335 (= D310), I357 (= I328), N371 (= N342)
binding adenosine monophosphate: G242 (≠ A219), E243 (= E220), P244 (= P221), C266 (≠ I241), G267 (≠ Y242), S268 (≠ G243), A270 (≠ S245), E271 (= E246), D335 (= D310), N371 (= N342)
binding coenzyme a: Y166 (≠ F146), A188 (≠ G168), G189 (= G169), P191 (≠ T171), S194 (≠ Q174), Y210 (≠ M187), G211 (≠ V188), T212 (= T189), Y215 (= Y192), H218 (≠ N195), R368 (= R339), G369 (= G340), M401 (= M372), V439 (≠ I410), R440 (≠ S411)

6hdyA Crystal structure of 2-hydroxyisobutyryl-coa ligase (hcl) in the postadenylation state in complex with s3-hb-amp (see paper)
30% identity, 93% coverage: 28:436/439 of query aligns to 42:461/474 of 6hdyA

query
sites
6hdyA

L

L

E

G

R

R

L

L

Q

Q

W

Q

T

V

V

C

R

Q

H

Y

A

A

Y

W

N

E

N

H

V

A

P

P

M

F

Y

Y

K

R

Q

R

R

K

F

W

D

E

Q

E

L

A

G

G

L

F

H

Q

P

P

D

S

D

Q

I

L

K

K

T

S

L

L

D

E

D

D

L

F

-

E

A

A

K

R

L

V

P

P

F

V

T

V

T

K

K

K

S

T

D

D

L

L

R

R

D

E

N

S

Y

Q

-

A

-

A

-

H

-

P

P

P

Y

F

G

G

M

D

F

Y

-

V

A

C

T

V

P

P

M

N

N

S

Q

E

V

I

V

F

R

H

L

V

H

H

A

G

S

T

S

S

G

-

T

-

T

-

G

-

K

R

P

P

T

T

V

A

V

F

G

G

Y

I

T

G

Q

R

N

A

D

D

I

W

D

R

N

A

W

I

A

A

N

N

I

A

V

H

A

A

R

R

S

I

I

M

R

W

A

G

A

M

G

G

G

I

R

R

K

P

G

G

D

D

M

L

L

V

H

C

N

V

A

A

Y

A

G

V

Y

F

G

S

L

L

F
x
Y

T

M

G
|
G

G

S

L

W

G

G

A

A

H

L

Y

A

G

G

A

A

E

E

R

R

L

L

G

R

C

A

T

K

V

A

I

F

P

P

M

F

S

G

G

A

G

G

Q

A

T

P

E

G

K

M

Q

S

V

A

R

R

L

L

I

V

Q

Q

-

W

-

L

-

D

D

T

F

M

Q

K

P

P

D

A

I

A

I

F

M

Y

V

G

T

T

P

P

S

S

Y

Y

M

A

L

I

N

H

L

L

L

A

D

E

E

V

M

A

E

R

K

E

Q

E

G

K

I

L

D

N

P

P

L

R

G

N

L

F

K

G

L

L

R

K

L

C

G

L

I

F

F

F

G
x
S

A
x
G

E
|
E

P
|
P

W

G

T

A

Q

S

-

V

-

P

E

G

L

V

R

K

R

D

S

R

V

I

E

E

E

E

R

A

A

Y

G

G

I

A

R

K

A

V

M

Y

D

D

I
x
C

Y
x
G

G
x
S

L
x
M

S
x
A

E

E

I

-

M

M

G

S

P

P

G
x
F

V

M

A

N

M

V

E

A

C

G

A

T

E

E

-

Q

S

S

Q

N

D

D

G

G

P

M

T

L

V

C

W

W

E

Q

D

D

H

I

F

I

Y

Y

P

T

E

E

I

V

V

C

D

D

P

P

N

A

T

N

G

M

E

R

V

R

L

V

P

P

D

Y

G

G

E

Q

M

R

G

G

E

T

L

P

V

V

F

Y

T

T

S

H

L

L

S

E

K

R

E

T

A

S

L

Q

P

P

M

M

I

I

R

R

Y

L

R

L

T

S

R

G

D
|
D

L

L

T

T

R

L

L

W

L

T

-

N

-

D

-

E

-

N

P

P

G

C

T

G

A

R

R

T

R

Y

M

P

R

R

R

L

I

P

D

Q

K

G

I
|
I

T

F

G

G

R
|
R

S

I

D

D

D

D

M

M

M

F

I

T

I

I

R

R

G

G

V

E

N

N

V

I

F

Y

P

P

T

S

Q

E

I

I

E

D

E

A

E

A

V

L

I

N

K

Q

V

M

N

S

H

G

F

Y

S

G

E

G

S

E

Y

H

E

R

I

I

H

V

L

I

Y

T

R

R

K

E

G

S

N

A

M

M

D

D

S

E

M

L

D

L

V

L

H

R

V

V

E

E

L

P

R

S

P

E

D

S

C

V

A

H

G

A

F

A

D

G

E

A

Q

A

E

A

I

L

N

E

D

T

A

F

I

R

N

T

E

E

L

A

R

S

H

H

H

R

V

V

K

Q

S

T

S

V

V

L

G

G

I

V

S

R

I

A

S

K

V

V

K

E

L

L

R

V

E

A

I

P

G

N

S

S

I

I

A

A

R

R

S

T

E

D

G

F

K
|
K

A

A

K

R

H

R

V

V

Y

I

D

D

E

D

R

R

binding (3s)-3-hydroxybutanoic acid: Y162 (≠ F146), S237 (≠ G218), G263 (≠ Y242), S264 (≠ G243), M265 (≠ L244), A266 (≠ S245), F271 (≠ G251)
binding [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (3~{S})-3-oxidanylbutanoate: Y162 (≠ F146), G164 (= G148), S237 (≠ G218), G238 (≠ A219), E239 (= E220), P240 (= P221), C262 (≠ I241), G263 (≠ Y242), S264 (≠ G243), A266 (≠ S245), F271 (≠ G251), D331 (= D310), I353 (= I328), R356 (= R331), K453 (= K428)

6hdxA Crystal structure of 2-hydroxyisobutyryl-coa ligase (hcl) in the postadenylation state in complex with r3-hib-amp (see paper)
30% identity, 93% coverage: 28:436/439 of query aligns to 42:461/474 of 6hdxA

query
sites
6hdxA

L

L

E

G

R

R

L

L

Q

Q

W

Q

T

V

V

C

R

Q

H

Y

A

A

Y

W

N

E

N

H

V

A

P

P

M

F

Y

Y

K

R

Q

R

R

K

F

W

D

E

Q

E

L

A

G

G

L

F

H

Q

P

P

D

S

D

Q

I

L

K

K

T

S

L

L

D

E

D

D

L

F

-

E

A

A

K

R

L

V

P

P

F

V

T

V

T

K

K

K

S

T

D

D

L

L

R

R

D

E

N

S

Y

Q

-

A

-

A

-

H

-

P

P

P

Y

F

G

G

M

D

F

Y

-

V

A

C

T

V

P

P

M

N

N

S

Q

E

V

I

V

F

R

H

L

V

H

H

A

G

S

T

S

S

G

-

T

-

T

-

G

-

K

R

P

P

T

T

V

A

V

F

G

G

Y

I

T

G

Q

R

N

A

D

D

I

W

D

R

N

A

W

I

A

A

N

N

I

A

V

H

A

A

R

R

S

I

I

M

R

W

A

G

A

M

G

G

G

I

R

R

K

P

G

G

D

D

M

L

L

V

H

C

N

V

A

A

Y

A

G

V

Y

F

G

S

L

L

F
x
Y

T

M

G
|
G

G

S

L

W

G

G

A

A

H

L

Y

A

G

G

A

A

E

E

R

R

L

L

G

R

C

A

T

K

V

A

I

F

P

P

M

F

S

G

G

A

G

G

Q

A

T

P

E

G

K

M

Q

S

V

A

R

R

L

L

I

V

Q

Q

-

W

-

L

-

D

D

T

F

M

Q

K

P

P

D

A

I

A

I

F

M

Y

V

G

T

T

P

P

S

S

Y

Y

M

A

L

I

N

H

L

L

L

A

D

E

E

V

M

A

E

R

K

E

Q

E

G

K

I

L

D

N

P

P

L

R

G

N

L

F

K

G

L

L

R

K

L

C

G

L

I

F

F

F

G
x
S

A
x
G

E
|
E

P
|
P

W

G

T

A

Q

S

-

V

-

P

E

G

L

V

R

K

R

D

S

R

V

I

E

E

E

E

R

A

A

Y

G

G

I

A

R

K

A

V

M

Y

D

D

I
x
C

Y
x
G

G
x
S

L

M

S
x
A

E

E

I

-

M

M

G

S

P

P

G
x
F

V

M

A

N

M

V

E

A

C

G

A

T

E

E

-

Q

S

S

Q

N

D

D

G

G

P

M

T

L

V

C

W

W

E

Q

D

D

H

I

F

I

Y

Y

P

T

E

E

I

V

V

C

D

D

P

P

N

A

T

N

G

M

E

R

V

R

L

V

P

P

D

Y

G

G

E

Q

M

R

G

G

E

T

L

P

V

V

F

Y

T

T

S

H

L

L

S

E

K

R

E

T

A

S

L

Q

P

P

M

M

I

I

R

R

Y

L

R

L

T

S

R

G

D
|
D

L

L

T

T

R

L

L

W

L

T

-

N

-

D

-

E

-

N

P

P

G

C

T

G

A

R

R

T

R

Y

M

P

R

R

R

L

I

P

D

Q

K

G

I
|
I

T

F

G

G

R
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R

S

I

D

D

D

D

M

M

M

F

I

T

I

I

R

R

G

G

V

E

N

N

V

I

F

Y

P

P

T

S

Q

E

I

I

E

D

E

A

E

A

V

L

I

N

K

Q

V

M

N

S

H

G

F

Y

S

G

E

G

S

E

Y

H

E

R

I

I

H

V

L

I

Y

T

R

R

K

E

G

S

N

A

M

M

D

D

S

E

M

L

D

L

V

L

H

R

V

V

E

E

L

P

R

S

P

E

D

S

C

V

A

H

G

A

F

A

D

G

E

A

Q

A

E

A

I

L

N

E

D

T

A

F

I

R

N

T

E

E

L

A

R

S

H

H

H

R

V

V

K

Q

S

T

S

V

V

L

G

G

I

V

S

R

I

A

S

K

V

V

K

E

L

L

R

V

E

A

I

P

G

N

S

S

I

I

A

A

R

R

S

T

E

D

G

F

K
|
K

A

A

K

R

H

R

V

V

Y

I

D

D

E

D

R

R

binding [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] (2~{R})-2-methyl-3-oxidanyl-propanoate: Y162 (≠ F146), G164 (= G148), S237 (≠ G218), G238 (≠ A219), E239 (= E220), P240 (= P221), C262 (≠ I241), G263 (≠ Y242), S264 (≠ G243), A266 (≠ S245), F271 (≠ G251), D331 (= D310), I353 (= I328), R356 (= R331), K453 (= K428)
binding (2r)-3-hydroxy-2-methylpropanoic acid: Y162 (≠ F146), G164 (= G148), S237 (≠ G218), G263 (≠ Y242), S264 (≠ G243), A266 (≠ S245), F271 (≠ G251)

6sixB Paak family amp-ligase with anp (see paper)
27% identity, 98% coverage: 5:435/439 of query aligns to 3:426/437 of 6sixB

query
sites
6sixB

S

S

R

R

F

S

N

R

P

P

D

E

Q

L

L

G

D

D

P

W

M

S

E

S

T

P

A

A

S

E

I

L

D

A

E

E

L

L

R

Q

A

R

H

S

Q

Q

L

L

E

P

R

R

L

V

Q

-

W

-

T

-

V

L

R

A

H

Q

A

A

Y

L

N

R

N

S

V

-

P

P

M

F

Y

Y

K

A

Q

A

R

R

F

Y

D

R

Q

-

L

-

G

G

L

T

H

T

P

P

D

P

D

-

I

-

K

R

T

T

L

A

D

D

D

D

L

F

A

A

K

G

L

V

P

E

F

V

T

T

T

A

K

K

S

Q

D

D

L

L

R

R

D

D

N

Q

Y

Y

P

P

Y

F

G

G

M

M

F

L

A

A

T

V

P

G

M
x
R

N
x
E

Q

H

V

L

V

A

R

T

L

Y

H

H

A

E

S
|
S

S
|
S

G

G

T

T

T

A

G

G

K

E

P

P

T

T

V

A

V

S

G

Y

Y

Y

T

T

Q

E

N

E

D

D

I

-

D

-

N

-

W

W

A

T

N

D

I

L

V

A

A

E

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R

S

F

I

A

R

R

A

K

A

W

G

T

G

G

-

I

R

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K
x
P

G

S

D

D

M

T

L

F

H

L

N

V

A

R

Y

T

G

P

Y

Y

G

G

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L

F

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I

G

T

G

G

L

H

G

L

A

A

H

Q

Y

A

G

A

A

G

E

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R

L

L

R

G

G

C

A

T
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T

V

V

I

V

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P

M

G

S

D

-

A

-

R

-

S

-

L

G

A

G

T

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P

T

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E

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K

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Q

M

V

V

R

R

L

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I

L

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K

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F

L

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T

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I

T

M

W

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C

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P

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Y

E

M

I

L

T

N

M

L

L

L

A

D

A

E

A

M

A

E

K

K

A

Q

A

G

G

I

L

D

R

P

P

L

D

G

Q

-

D

-

F

L

P

K

H

L

L

R

R

L

A

G

M

I

F

F

T

G

A

A
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A

E
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E

P
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P

W

L

T

T

Q

E

E

V

L

R

R

R

R

R

S

R

V

L

E

S

E

E

-

I

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W

A

G

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G

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I

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M

V

D

E

I
x
E

Y
|
Y

G
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G

L
x
S

S
x
T

E
|
E

I

T

M

G

G

-

P

-

G

T

V

I

A

A

M

G

E

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C
|
C

A

P

E

E

S

G

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M

G

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-

T
x
H

V

L

W

W

E

A

D

D

H

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F

A

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I

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F

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E

I

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Y

D

D

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P

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R

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T

G

G

E

-

V

T

L

L

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D

E

G

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E

G

M

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G

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E

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M

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T

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L

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Y

K

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E

D

A

A

L

M

P

P

M

L

I

L

R

R

Y

Y

R

N

T

L

R

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D
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D

L

D

T

V

R

E

L

V

L

S

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T

-

D

P

P

G
x
C

T

G

A
x
C

R

G

R

W

M

L

R

L

R

P

I

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V

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T

I
x
V

T

L

G

G

R
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R

S

A

D

G

D

T

M

G

M

H

I

R

I

I

R

G

G

P

V

A

N

T

V

V

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T

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Q

T

Q

Q

R

I

L

E

E

E

E

E

L

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V

I

F

K

S

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N

-

H

-

F

-

S

P

E

A

S

A

Y

Y

E

E

I

V

H

M

L

F

Y

W

R

R

-

A

K

K

G

A

N

H

M

P

D

D

S

V

M

L

D

E

V

L

H

E

V

F

E

E

L

A

R

-

P

-

D

-

C

-

A

-

G

-

F

-

D

P

E

E

Q

P

E

V

I

R

N

Q

D

R

A

A

I

V

N

K

E

E

L

L

R

G

H

A

H

A

V

L

K

D

S

R

S

E

V

L

G

G

I

V

S

P

I

H

S

R

V

I

K

T

L

G

R

L

E

A

I

P

G

G

S

T

I

L

A

V

R

P

S

A

E

E

G

A

-

L

-

T

-

A

-

Q

-

R

-

D

-

I

-

L

K

K

A

A

K

R

H

Y

V

L

Y

F

D

A

E

E

binding phosphoaminophosphonic acid-adenylate ester: S88 (= S98), S89 (= S99), A213 (= A219), E214 (= E220), P215 (= P221), E236 (≠ I241), Y237 (= Y242), G238 (= G243), S239 (≠ L244), T240 (≠ S245), E241 (= E246), D300 (= D310), V320 (≠ I328), R323 (= R331)
binding magnesium ion: R79 (≠ M89), E80 (≠ N90), P121 (≠ K133),