SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_043918386.1 NCBI__GCF_000877395.1:WP_043918386.1 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 16 hits to proteins with known functional sites (download)

2y27B Crystal structure of paak1 in complex with atp from burkholderia cenocepacia (see paper)
67% identity, 98% coverage: 8:433/436 of query aligns to 1:427/427 of 2y27B

query
sites
2y27B

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binding adenosine-5'-triphosphate: K65 (= K72), S90 (= S97), S91 (= S98), G92 (= G99), T93 (= T100), T94 (= T101), F138 (= F145), A211 (= A218), E212 (= E219), P213 (= P220), D232 (= D239), I233 (= I240), Y234 (= Y241), G235 (= G242), L236 (= L243), S237 (= S244), D302 (= D309), I320 (= I327), R323 (= R330), K419 (= K425)
binding magnesium ion: V200 (≠ R207), S202 (≠ T209), L204 (= L211), M226 (≠ F233), G227 (≠ D234), Q347 (≠ T354), L350 (= L357)

2y4nA Paak1 in complex with phenylacetyl adenylate (see paper)
67% identity, 98% coverage: 8:433/436 of query aligns to 1:425/426 of 2y4nA

query
sites
2y4nA

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binding 5'-o-[hydroxy(phenylacetyl)phosphoryl]adenosine: Y131 (= Y140), F136 (= F145), G138 (= G147), G208 (= G217), A209 (= A218), E210 (= E219), P211 (= P220), I231 (= I240), Y232 (= Y241), G233 (= G242), L234 (= L243), S235 (= S244), P240 (= P249), D300 (= D309), R321 (= R330), K417 (= K425)
binding magnesium ion: V198 (≠ R207), S200 (≠ T209), Q345 (≠ T354), L348 (= L357)

2y4oA Crystal structure of paak2 in complex with phenylacetyl adenylate (see paper)
67% identity, 97% coverage: 11:433/436 of query aligns to 6:432/433 of 2y4oA

query
sites
2y4oA

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P

S

N

E

E

A

A

A

D

A

A

S

P

V

S

T

-

D

-

G

-

E

R

R

A

A

A

A

A

L

Q

A

A

R

E

E

L

L

A

Q

N

H

R

R

I

I

K

K

T

T

M

M

V

V

G

G

V

V

T

S

A

S

E

G

V

V

Q

T

V

V

G

L

G

A

P

A

D

G

S

G

V

I

-

P

A

A

R

T

S

A

Q

T

G

G

K

K

A

A

I

R

R

R

V

V

V

I

D

D

R

R

R

R

binding 5'-o-[hydroxy(phenylacetyl)phosphoryl]adenosine: F135 (≠ Y140), F140 (= F145), A213 (= A218), E214 (= E219), P215 (= P220), I235 (= I240), G237 (= G242), L238 (= L243), S239 (= S244), P244 (= P249), D304 (= D309), R325 (= R330), I331 (= I336), N336 (= N341)

2y4oB Crystal structure of paak2 in complex with phenylacetyl adenylate (see paper)
67% identity, 97% coverage: 11:433/436 of query aligns to 6:432/432 of 2y4oB

query
sites
2y4oB

L

L

E

E

P

P

I

I

E

E

T

T

A

A

S

S

L

R

D

D

E

E

L

L

R

Q

A

A

L

L

Q

Q

L

L

D

E

R

R

L

L

R

K

R

W

S

S

L

L

R

R

H

H

A

A

Y

Y

E

D

N

N

V

V

D

P

L

H

Y

Y

R

R

R

R

R

T

F

F

D

D

E

A

A

A

G

G

V

V

H

H

P

P

D

D

D

D

L

L

R

K

E

S

L

L

S

A

D

D

L

L

A

A

R

K

F

F

P

P

F

F

T

S

Q

T

K

K

S

N

D

D

L

L

R

R

D

D

A

N

Y

Y

P

P

F

F

G

G

L

L

F

F

A

A

V

V

P

P

R

R

E

E

R

Q

I

V

V

V

R

R

V

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

K

A

A

R

D

D

I

I

E

D

M

T

W

W

S

A

D

N

V

V

M

T

A

A

R

R

S

S

L

I

R

R

A

A

A

A

G

G

L

G

R

R

A

P

G

G

D

D

M

T

V

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

I

A

E

E

R

R

L

L

G

G

G

C

T

M

V

V

V

V

P

P

M

M

G

S

G

G

G

G

Q

Q

T

T

E

E

R

K

Q

Q

I

V

A

Q

L

L

I

I

A

R

D

D

F

F

R

E

P

P

K

K

G

I

I

I

L

L

V

V

T

T

P

P

S

S

Y

Y

M

M

L

L

N

N

V

L

L

I

E

D

A

E

H

M

L

V

A

R

A

Q

G

G

I

M

D

D

P

P

R

A

E

E

T
x
S

S

S

L

L

Q

K

V

I

G

G

V

I

F

F

G
|
G

A
|
A

E
|
E

P
|
P

W

W

T

T

D

Q

S

A

M

L

R

R

K

N

R

E

I

V

E

E

D

T

A

R

F
x
V

D

G

M

I

H

D

A

A

V

L

D

D

I
|
I

Y

Y

G
|
G

L
|
L

S
|
S

E

E

I

V

I

M

G

G

P
|
P

G

G

V

V

A

A

N

C

E

E

C

C

V

V

E

E

T

T

K

K

D

D

G

G

L

P

H

V

I

I

W

W

E

E

D

D

H

H

F

F

Y

Y

P

P

E

E

I

I

I

I

D

D

P

P

E

V

T

T

G

G

E

E

V

V

L

L

D

P

D

D

G

G

E

S

E

Q

G

G

E

E

L

L

V

V

F

F

T

T

T

S

L

L

T

T

R

K

E

E

G

A

M

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

M

L

P

P

G

P

T

T

A

A

R

R

T

A

M

M

R

R

R

R

M

L

E

A

K

K

I

I

T

T

G

G

R
|
R

S

S

D

D

D

D

M

M

I

L

I
|
I

L

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

Q

I

V

V

L

V

A

A

T

L

P

P

G

L

L

L

A

S

P

G

H

Q

F

F

Q

Q

I

I

E

T

L

L

V

S

S

R

D

D

G

G

P

H

M

M

A

D

S

R

M

L

R

D

V

L

L

A

V

V

E

E

A

L

S

R

P

S

N

E

E

A

A

A

D

A

A

S

P

V

S

T

-

D

-

G

-

E

R

R

A

A

A

A

A

L

Q

A

A

R

E

E

L

L

A

Q

N

H

R

R

I

I

K

K

T

T

M

M

V

V

G

G

V

V

T

S

A

S

E

G

V

V

Q

T

V

V

G

L

G

A

P

A

D

G

S

G

V

I

-

P

A

A

R

T

S

A

Q

T

G

G

K

K

A

A

I

R

R

R

V

V

V

I

D

D

R

R

R

R

binding 5'-o-[hydroxy(phenylacetyl)phosphoryl]adenosine: F135 (≠ Y140), F140 (= F145), G212 (= G217), A213 (= A218), E214 (= E219), P215 (= P220), I235 (= I240), G237 (= G242), L238 (= L243), S239 (= S244), P244 (= P249), D304 (= D309), R325 (= R330), I331 (= I336), N336 (= N341)
binding magnesium ion: S204 (≠ T209), V228 (≠ F233)

4r1mA Crystal structure of a putative acyl-coa ligase (bt_0428) from bacteroides thetaiotaomicron vpi-5482 at 2.48 a resolution
45% identity, 97% coverage: 12:434/436 of query aligns to 9:434/435 of 4r1mA

query
sites
4r1mA

E

E

P

E

I

I

E

E

T

I

A

M

S

S

L

R

D

E

E

K

L

L

R

Q

A

E

L

L

Q

Q

L

L

D

Q

R

R

L

L

R

K

R

K

S

T

L

I

R

N

H

I

A

A

Y

-

E

A

N

N

V

S

D

P

L

Y

Y

Y

R

K

R

E

R

V

F

F

D

S

E

K

A

N

G

G

V

I

H

T

P

G

D

D

D

S

L

I

R

Q

E

S

L

L

S

D

D

D

L

I

A

R

R

K

F

I

P

P

F

F

T

T

Q

T

K

K

S

S

D

D

L

M

R

R

D

A

A

N

Y

Y

P

P

F

F

G

G

L

L

F

V

A

A

V

G

P

D

R

M

E

K

R

R

I

D

-

G

V

V

R

R

V

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

K

Q

A

H

D

D

I

L

E

D

M

S

W

W

S

A

D

N

V

L

M

V

A

A

R

R

S

C

L

L

R

Y

A

M

A

V

G

G

L

I

R

R

A

K

G

T

D

D

M

V

V

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

I

A

E

E

R

R

L

L

G

G

G

C

T

L

V

T

V

V

P

P

M

A

G

A

G

A

G

G

Q

N

T

S

E

K

R

R

Q

Q

I

I

A

K

L

F

I

I

A

S

D

D

F

F

R

K

P

T

K

T

G

A

I

L

L

H

V

A

T

I

P

P

S

S

Y

Y

M

A

L

I

N

R

V

L

L

A

E

E

A

V

H

F

L

Q

A

E

A

E

G

G

I

I

D

D

P

P

R

R

E

E

T

T

S

T

L

L

Q

K

V

T

G

L

V

V

F

I

G

G

A
|
A

E
|
E

P
|
P

W

H

T

T

D

D

S

E

M

Q

R

R

K

R

R

K

I

I

E

E

D

R

A

M

F

L

D

N

M

V

H

K

A

A

V

Y

D
x
N

I
x
S

Y
x
F

G
|
G

L
x
M

S
x
T

E

E

I

M

I

N

G

G

P

P

G

G

V

V

A

A

N

F

E

E

C
|
C

V

Q

E

E

T

-

K

Q

D

N

G

G

L

M

H
|
H

I

F

W

W

E

E

D

D

H

C

F

Y

Y

L

P

V

E

E

I

I

I

I

D

D

P

P

E

E

T

T

G

G

E

E

V

P

L

V

D

P

D

E

G

G

E

E

E

I

G

G

E

E

L

L

V

V

F

L

T

T

T

T

L

L

T

D

R

R

E

E

G

M

M

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

M

L

P

P

G

G

T

K

A
x
C

-

P

-
x
C

-

G

R

R

T

T

M

H

R

L

R

R

M

I

E

D

K

R

I

I

T

K

G

G

R
|
R

S

S

D

D

D

D

M

M

I

F

I
|
I

L

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

Q

I

V

L

L

V

A

Q

T

F

P

P

G

E

L

L

A

G

P

S

H

N

F

Y

Q

L

I

I

E

T

L

L

V

E

S

T

D

V

G

N

P

N

M

Q

A

D

S

E

M

M

R

I

V

V

L

E

V

V

E

E

A

L

S

S

P

D

N

L

E

S

A

T

D

D

A

N

-

Y

P

I

S

E

R

L

A

E

A

K

A

I

Q

R

A

R

E

D

L

I

A

I

N

R

R

Q

I

L

K

K

T

D

M

E

V

I

G

L

V

V

T

T

A

P

E

K

V

V

Q

K

V

L

G

V

G

K

P

K

D

G

S

S

V

L

A

P

R

Q

S

S

Q

E

G

G

K

K

A

A

I

V

R

R

V

V

V

K

D

D

R

L

R

R

D

D

binding adenosine monophosphate: A215 (= A218), E216 (= E219), P217 (= P220), N236 (≠ D239), S237 (≠ I240), F238 (≠ Y241), G239 (= G242), M240 (≠ L243), T241 (≠ S244), D305 (= D309), R329 (= R330), I335 (= I336), N340 (= N341)
binding zinc ion: C252 (= C255), H259 (= H263), C314 (≠ A318), C316 (vs. gap)

4r1lA Crystal structure of a putative acyl-coa ligase (bt_0428) from bacteroides thetaiotaomicron vpi-5482 at 2.42 a resolution
44% identity, 97% coverage: 12:434/436 of query aligns to 9:432/433 of 4r1lA

query
sites
4r1lA

E

E

P

E

I

I

E

E

T

I

A

M

S

S

L

R

D

E

E

K

L

L

R

Q

A

E

L

L

Q

Q

L

L

D

Q

R

R

L

L

R

K

R

K

S

T

L

I

R

N

H

I

A

A

Y

-

E

A

N

N

V

S

D

P

L

Y

Y

Y

R

K

R

E

R

V

F

F

D

S

E

K

A

N

G

G

V

I

H

T

P

G

D

D

D

S

L

I

R

Q

E

S

L

L

S

D

D

D

L

I

A

R

R

K

F

I

P

P

F

F

T

T

Q

T

K

K

S

S

D

D

L

M

R

R

D

A

A

N

Y

Y

P

P

F

F

G

G

L

L

F

V

A

A

V

G

P

D

R

M

E

K

R

R

I

D

-

G

V

V

R

R

V

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

K

Q

A

H

D

D

I

L

E

D

M

S

W

W

S

A

D

N

V

L

M

V

A

A

R

R

S

C

L

L

R

Y

A

M

A

V

G

G

L

I

R

R

A

K

G

T

D

D

M

V

V

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

I

A

E

E

R

R

L

L

G

G

G

C

T

L

V

T

V

V

P

P

M

A

G

A

G
x
A

G
|
G

Q
x
N

T
x
S

E

K

R

R

Q

Q

I

I

A

K

L

F

I

I

A

S

D

D

F

F

R

K

P

T

K

T

G

A

I

L

L

H

V

A

T
x
I

P

P

S

S

Y
|
Y

M

A

L

I

N

R

V

L

L

A

E

E

A

V

H

F

L

Q

A

E

A

E

G

G

I

I

D

D

P

P

R

R

E

E

T

T

S

T

L

L

Q

K

V

T

G

L

V

V

F

I

G

G

A
|
A

E
|
E

P
|
P

W

H

T

T

D

D

S

E

M

Q

R

R

K

R

R

K

I

I

E

E

D

R

A

M

F

L

D

N

M

V

H

K

A

A

V

Y

D

N

I
x
S

Y
x
F

G
|
G

L
x
M

S
x
T

E

E

I

M

I

N

G

G

P

P

G

G

V

V

A

A

N

F

E

E

C
|
C

V

Q

E

E

T

-

K

Q

D

N

G

G

L

M

H
|
H

I

F

W

W

E

E

D

D

H

C

F

Y

Y

L

P

V

E

E

I

I

I

I

D

D

P

P

E

E

T

T

G

G

E

E

V

P

L

V

D

P

D

E

G

G

E

E

E

I

G

G

E

E

L

L

V

V

F

L

T

T

T

T

L

L

T

D

R

R

E

E

G

M

M

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

M

L

P

P

G

G

T

K

A
x
C

-

P

-
x
C

-

G

R

R

T

T

M

H

R

L

R

R

M

I

E

D

K

R

I

I

T

K

G

G

R
|
R

S

S

D

D

D

D

M

M

I

F

I

I

L

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

Q

I

V

L

L

V

A

Q

T

F

P

P

G

E

L

L

A

G

P

S

H

N

F

Y

Q

L

I

I

E

T

L

L

V

E

S

T

D

V

G

N

P

N

M

Q

A

D

S

E

M

M

R

I

V

V

L

E

V

V

E

E

A

L

S

S

P

D

N

L

E

S

A

T

D

D

A

N

-

Y

P

I

S

E

R

L

A

E

A

K

A

I

Q

R

A

R

E

D

L

I

A

I

N

R

R

Q

I

L

K

K

T

D

M

E

V

I

G

L

V

V

T
|
T

A

P

E

K

V

V

Q

K

V

L

G

V

G

K

P

K

D

G

S

S

V

L

A

P

R

Q

S

S

Q

E

G

-

K

-

A

A

I

V

R

R

V

V

V

K

D

D

R

L

R

R

D

D

binding adenosine-5'-diphosphate: A215 (= A218), E216 (= E219), P217 (= P220), S237 (≠ I240), F238 (≠ Y241), G239 (= G242), M240 (≠ L243), T241 (≠ S244), D305 (= D309), R329 (= R330), N340 (= N341)
binding adenosine monophosphate: A215 (= A218), E216 (= E219), P217 (= P220), S237 (≠ I240), F238 (≠ Y241), G239 (= G242), M240 (≠ L243), T241 (≠ S244), D305 (= D309), R329 (= R330), N340 (= N341)
binding coenzyme a: S136 (≠ A139), A164 (≠ G167), G165 (= G168), N166 (≠ Q169), S167 (≠ T170), I185 (≠ T188), Y188 (= Y191), K337 (≠ R338), T408 (= T408)
binding zinc ion: C252 (= C255), H259 (= H263), C314 (≠ A318), C316 (vs. gap)

6he0A Crystal structure of 2-hydroxyisobutyryl-coa ligase (hcl) in complex with 2-hib-amp and coa in the thioesterfication state (see paper)
33% identity, 94% coverage: 27:434/436 of query aligns to 42:465/477 of 6he0A

query
sites
6he0A

L

L

D

G

R

R

L

L

R

Q

R

Q

S

V

L

C

R

Q

H

Y

A

A

Y

W

E

E

N

H

V

A

D

P

L

F

Y

Y

R

R

R

R

R

K

F

W

D

E

E

E

A

A

G

G

V

F

H

Q

P

P

D

S

D

Q

L

L

R

K

E

S

L

L

S

E

D

D

L

F

-

E

A

A

R

R

F

V

P

P

F

V

T

V

Q

K

K

K

S

T

D

D

L

L

R

R

D

E

A

S

Y

Q

-

A

-

A

-

H

-

P

P

P

F

F

G

G

L

D

F

Y

-

V

A

C

V

V

P

P

R

N

E

S

R

E

I

I

V

F

R

H

V

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

K

R

A

A

D

D

I

W

E

R

M

A

W

I

S

A

D

N

V

A

M

H

A

A

R

R

S

I

L

M

R

W

A

G

A

M

G

G

L

I

R

R

A

P

G

G

D

D

M

L

V

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

I

A

E

E

R

R

L

L

G

R

G

A

T

K

V

A

V

F

P

P

M

F

G

G

G
x
A

-
x
G

-

A

-
x
P

G

G

Q

M

T
x
S

E

A

R

R

Q

L

I

V

A

Q

L

W

I

L

A

D

D

T

F

M

R

K

P

P

K

A

G

A

I

F

L
x
Y

V
x
G

T
|
T

P

P

S

S

Y
|
Y

M

A

L

I

N
x
H

V

L

L

A

E

E

A

V

H

A

L

R

A

E

A

E

G

K

I

L

D

N

P

P

R

R

E

N

T

F

S

G

L

L

Q

K

V

C

G

L

V

F

F

F

G
x
S

A
x
G

E
|
E

P
|
P

W

G

T

A

D

S

-

V

-

P

S

G

M

V

R

K

K

D

R

R

I

I

E

E

D

E

A

A

F

Y

D

G

M

A

H

K

A

V

V

Y

D

D

I
x
C

Y
x
G

G
x
S

L
x
M

S
x
A

E
|
E

I

M

I

S

G

P

P

F

G

M

V

N

A

V

N

A

E

G

C

T

V

E

E

Q

T

S

K

N

D

D

G

G

L

M

H

L

I

C

W

W

E

Q

D

D

H

I

F

I

Y

Y

P

T

E

E

I

V

I

C

D

D

P

P

E

A

T

N

G

M

E

R

V

R

L

V

D

P

D

Y

G

G

E

Q

E

R

G

G

E

T

L

P

V

V

F

Y

T

T

T

H

L

L

T

E

R

R

E

T

G

S

M

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

M

T

P

N

G

D

-

E

-

N

-

P

T

C

A

G

R

R

T

T

M

Y

R

P

R

R

M

L

-

P

E

Q

K

G

I
|
I

T

F

G

G

R

R

S

I

D

D

D

D

M

M

I

F

I

T

L

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

Q

A

V

L

L

N

A

Q

T

M

P

S

G

G

L

Y

A

G

P

G

H

E

F

H

Q

R

I

I

E

V

L

I

V

T

S

R

D

E

G

S

P

A

M
|
M

A

D

S

E

M

L

R

L

V

L

L

R

V

V

E

E

A

-

S

-

P

P

N

S

E

E

A

S

D

V

A

H

P

A

S

A

R

G

A

A

A

A

A

A

-

L

-

E

-

T

-

F

Q

R

A

T

E

E

L

A

A

S

N

H

R

R

I

V

K

Q

T

T

M

V

V

L

G

G

V
|
V

T
x
R

A

A

E

K

V

V

Q

E

V

L

G

V

G

A

P

P

D

N

S

S

V

I

A

A

R

R

S

T

Q

D

G

-

K

K

A

A

I

R

R

R

V

V

V

I

D

D

R

D

R

R

D

E

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 (≠ G217), G242 (≠ A218), E243 (= E219), P244 (= P220), G267 (≠ Y241), S268 (≠ G242), M269 (≠ L243), A270 (≠ S244), D335 (= D309), I357 (= I327), N371 (= N341)
binding adenosine monophosphate: G242 (≠ A218), E243 (= E219), P244 (= P220), C266 (≠ I240), G267 (≠ Y241), S268 (≠ G242), A270 (≠ S244), E271 (= E245), D335 (= D309), N371 (= N341)
binding coenzyme a: Y166 (≠ F145), A188 (≠ G167), G189 (vs. gap), P191 (vs. gap), S194 (≠ T170), Y210 (≠ L186), G211 (≠ V187), T212 (= T188), Y215 (= Y191), H218 (≠ N194), R368 (= R338), G369 (= G339), M401 (= M371), V439 (= V407), R440 (≠ T408)

6hdyA Crystal structure of 2-hydroxyisobutyryl-coa ligase (hcl) in the postadenylation state in complex with s3-hb-amp (see paper)
32% identity, 94% coverage: 27:434/436 of query aligns to 42:462/474 of 6hdyA

query
sites
6hdyA

L

L

D

G

R

R

L

L

R

Q

R

Q

S

V

L

C

R

Q

H

Y

A

A

Y

W

E

E

N

H

V

A

D

P

L

F

Y

Y

R

R

R

R

R

K

F

W

D

E

E

E

A

A

G

G

V

F

H

Q

P

P

D

S

D

Q

L

L

R

K

E

S

L

L

S

E

D

D

L

F

-

E

A

A

R

R

F

V

P

P

F

V

T

V

Q

K

K

K

S

T

D

D

L

L

R

R

D

E

A

S

Y

Q

-

A

-

A

-

H

-

P

P

P

F

F

G

G

L

D

F

Y

-

V

A

C

V

V

P

P

R

N

E

S

R

E

I

I

V

F

R

H

V

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

K

R

A

A

D

D

I

W

E

R

M

A

W

I

S

A

D

N

V

A

M

H

A

A

R

R

S

I

L

M

R

W

A

G

A

M

G

G

L

I

R

R

A

P

G

G

D

D

M

L

V

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

I

A

E

E

R

R

L

L

G

R

G

A

T

K

V

A

V

F

P

P

M

F

G

G

G

A

-

G

-

A

-

P

G

G

Q

M

T

S

E

A

R

R

Q

L

I

V

A

Q

L

W

I

L

A

D

D

T

F

M

R

K

P

P

K

A

G

A

I

F

L

Y

V

G

T

T

P

P

S

S

Y

Y

M

A

L

I

N

H

V

L

L

A

E

E

A

V

H

A

L

R

A

E

A

E

G

K

I

L

D

N

P

P

R

R

E

N

T

F

S

G

L

L

Q

K

V

C

G

L

V

F

F

F

G
x
S

A
x
G

E
|
E

P
|
P

W

G

T

A

D

S

-

V

-

P

S

G

M

V

R

K

K

D

R

R

I

I

E

E

D

E

A

A

F

Y

D

G

M

A

H

K

A

V

V

Y

D

D

I
x
C

Y
x
G

G
x
S

L
x
M

S
x
A

E

E

I

M

I

S

G

P

P
x
F

G

M

V

N

A

V

N

A

E

G

C

T

V

E

E

Q

T

S

K

N

D

D

G

G

L

M

H

L

I

C

W

W

E

Q

D

D

H

I

F

I

Y

Y

P

T

E

E

I

V

I

C

D

D

P

P

E

A

T

N

G

M

E

R

V

R

L

V

D

P

D

Y

G

G

E

Q

E

R

G

G

E

T

L

P

V

V

F

Y

T

T

T

H

L

L

T

E

R

R

E

T

G

S

M

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

M

T

P

N

G

D

-

E

-

N

-

P

T

C

A

G

R

R

T

T

M

Y

R

P

R

R

M

L

-

P

E

Q

K

G

I
|
I

T

F

G

G

R
|
R

S

I

D

D

D

D

M

M

I

F

I

T

L

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

Q

A

V

L

L

N

A

Q

T

M

P

S

G

G

L

Y

A

G

P

G

H

E

F

H

Q

R

I

I

E

V

L

I

V

T

S

R

D

E

G

S

P

A

M

M

A

D

S

E

M

L

R

L

V

L

L

R

V

V

E

E

A

-

S

-

P

P

N

S

E

E

A

S

D

V

A

H

P

A

S

A

R

G

A

A

A

A

A

A

-

L

-

E

-

T

-

F

Q

R

A

T

E

E

L

A

A

S

N

H

R

R

I

V

K

Q

T

T

M

V

V

L

G

G

V

V

T

R

A

A

E

K

V

V

Q

E

V

L

G

V

G

A

P

P

D

N

S

S

V

I

A

A

R

R

S

T

Q

D

G

F

K
|
K

A

A

I

R

R

R

V

V

V

I

D

D

R

D

R

R

D

E

binding (3s)-3-hydroxybutanoic acid: Y162 (≠ F145), S237 (≠ G217), G263 (≠ Y241), S264 (≠ G242), M265 (≠ L243), A266 (≠ S244), F271 (≠ P249)
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 (≠ F145), G164 (= G147), S237 (≠ G217), G238 (≠ A218), E239 (= E219), P240 (= P220), C262 (≠ I240), G263 (≠ Y241), S264 (≠ G242), A266 (≠ S244), F271 (≠ P249), D331 (= D309), I353 (= I327), R356 (= R330), K453 (= K425)

6hdxA Crystal structure of 2-hydroxyisobutyryl-coa ligase (hcl) in the postadenylation state in complex with r3-hib-amp (see paper)
32% identity, 94% coverage: 27:434/436 of query aligns to 42:462/474 of 6hdxA

query
sites
6hdxA

L

L

D

G

R

R

L

L

R

Q

R

Q

S

V

L

C

R

Q

H

Y

A

A

Y

W

E

E

N

H

V

A

D

P

L

F

Y

Y

R

R

R

R

R

K

F

W

D

E

E

E

A

A

G

G

V

F

H

Q

P

P

D

S

D

Q

L

L

R

K

E

S

L

L

S

E

D

D

L

F

-

E

A

A

R

R

F

V

P

P

F

V

T

V

Q

K

K

K

S

T

D

D

L

L

R

R

D

E

A

S

Y

Q

-

A

-

A

-

H

-

P

P

P

F

F

G

G

L

D

F

Y

-

V

A

C

V

V

P

P

R

N

E

S

R

E

I

I

V

F

R

H

V

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

K

R

A

A

D

D

I

W

E

R

M

A

W

I

S

A

D

N

V

A

M

H

A

A

R

R

S

I

L

M

R

W

A

G

A

M

G

G

L

I

R

R

A

P

G

G

D

D

M

L

V

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

I

A

E

E

R

R

L

L

G

R

G

A

T

K

V

A

V

F

P

P

M

F

G

G

G

A

-

G

-

A

-

P

G

G

Q

M

T

S

E

A

R

R

Q

L

I

V

A

Q

L

W

I

L

A

D

D

T

F

M

R

K

P

P

K

A

G

A

I

F

L

Y

V

G

T

T

P

P

S

S

Y

Y

M

A

L

I

N

H

V

L

L

A

E

E

A

V

H

A

L

R

A

E

A

E

G

K

I

L

D

N

P

P

R

R

E

N

T

F

S

G

L

L

Q

K

V

C

G

L

V

F

F

F

G
x
S

A
x
G

E
|
E

P
|
P

W

G

T

A

D

S

-

V

-

P

S

G

M

V

R

K

K

D

R

R

I

I

E

E

D

E

A

A

F

Y

D

G

M

A

H

K

A

V

V

Y

D

D

I
x
C

Y
x
G

G
x
S

L

M

S
x
A

E

E

I

M

I

S

G

P

P
x
F

G

M

V

N

A

V

N

A

E

G

C

T

V

E

E

Q

T

S

K

N

D

D

G

G

L

M

H

L

I

C

W

W

E

Q

D

D

H

I

F

I

Y

Y

P

T

E

E

I

V

I

C

D

D

P

P

E

A

T

N

G

M

E

R

V

R

L

V

D

P

D

Y

G

G

E

Q

E

R

G

G

E

T

L

P

V

V

F

Y

T

T

T

H

L

L

T

E

R

R

E

T

G

S

M

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

M

T

P

N

G

D

-

E

-

N

-

P

T

C

A

G

R

R

T

T

M

Y

R

P

R

R

M

L

-

P

E

Q

K

G

I
|
I

T

F

G

G

R
|
R

S

I

D

D

D

D

M

M

I

F

I

T

L

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

Q

A

V

L

L

N

A

Q

T

M

P

S

G

G

L

Y

A

G

P

G

H

E

F

H

Q

R

I

I

E

V

L

I

V

T

S

R

D

E

G

S

P

A

M

M

A

D

S

E

M

L

R

L

V

L

L

R

V

V

E

E

A

-

S

-

P

P

N

S

E

E

A

S

D

V

A

H

P

A

S

A

R

G

A

A

A

A

A

A

-

L

-

E

-

T

-

F

Q

R

A

T

E

E

L

A

A

S

N

H

R

R

I

V

K

Q

T

T

M

V

V

L

G

G

V

V

T

R

A

A

E

K

V

V

Q

E

V

L

G

V

G

A

P

P

D

N

S

S

V

I

A

A

R

R

S

T

Q

D

G

F

K
|
K

A

A

I

R

R

R

V

V

V

I

D

D

R

D

R

R

D

E

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 (≠ F145), G164 (= G147), S237 (≠ G217), G238 (≠ A218), E239 (= E219), P240 (= P220), C262 (≠ I240), G263 (≠ Y241), S264 (≠ G242), A266 (≠ S244), F271 (≠ P249), D331 (= D309), I353 (= I327), R356 (= R330), K453 (= K425)
binding (2r)-3-hydroxy-2-methylpropanoic acid: Y162 (≠ F145), G164 (= G147), S237 (≠ G217), G263 (≠ Y241), S264 (≠ G242), A266 (≠ S244), F271 (≠ P249)

6sixB Paak family amp-ligase with anp (see paper)
32% identity, 67% coverage: 17:309/436 of query aligns to 13:300/437 of 6sixB

query
sites
6sixB

A

S

S

S

L

P

D

A

E

E

L

L

R

A

A

E

L

L

Q

Q

L

R

D

S

R

Q

L

L

R

P

R

R

S

V

L

L

R

A

H

Q

A

A

Y

L

E

R

N

S

V

-

D

P

L

F

Y

Y

R

A

R

A

R

R

F

Y

D

R

E

-

A

-

G

G

V

T

H

T

P

P

D

P

D

-

L

-

R

R

E

T

L

A

S

D

D

D

L

F

A

A

R

G

F

V

P

E

F

V

T

T

Q

A

K

K

S

Q

D

D

L

L

R

R

D

D

A

Q

Y

Y

P

P

F

F

G

G

L

M

F

L

A

A

V

V

P

G

R
|
R

E
|
E

R

H

I

L

V

A

R

T

V

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

K

E

A

E

D

D

I

-

E

-

M

-

W

W

S

T

D

D

V

L

M

A

A

E

R

R

S

F

L

A

R

R

A

K

-

W

A

T

G

G

L

I

R

H

A
x
P

G

S

D

D

M

T

V

F

H

L

N

V

A

R

Y

T

G

P

Y

Y

G

G

L

L

F

V

T

I

G

T

G

G

L

H

G

L

A

A

H

Q

Y

A

G

A

I

G

E

R

R

L

L

R

G

G

G

A

T
|
T

V

V

V

V

P

P

M

-

G

G

G

D

G

A

Q

R

T

S

-

L

-

A

-

T

-

P

-

L

E

S

R

R

Q

M

I

V

A

R

L

V

I

L

A

K

D

T

F

L

R

D

P

V

K

T

G

L

I

T

L

W

V

C

T

N

P

P

S

T

Y

E

M

I

L

T

N

M

V

L

L

A

E

A

A

A

H

A

L

K

A

A

A

A

G

G

I

L

D

R

P

P

R

D

E

Q

-

D

-

F

T

P

S

H

L

L

Q

R

V

A

G

M

V

F

F

T

G

A

A
|
A

E
|
E

P
|
P

W

L

T

T

D

E

S

V

M

R

R

R

K

R

R

R

I

L

E

S

D

E

A

I

F

W

-

G

D

G

M

I

H

P

A

V

V

V

D

E

I
x
E

Y
|
Y

G
|
G

L
x
S

S
x
T

E
|
E

I

T

I

-

G

-

P

G

G

T

V

I

A

A

N

G

E

Q

C
|
C

V

P

E

E

T

G

K

R

D

-

G

-

L

M

H
|
H

I

L

W

W

E

A

D

D

H

R

F

A

Y

I

P

F

E

E

I

V

I

Y

D

D

P

P

E

R

T

T

G

G

E

-

V

T

L

L

D

S

D

E

G

A

E

G

E

R

G

G

E

Q

L

M

V

V

F

V

T

T

T

P

L

L

T

Y

R

R

E

D

G

A

M

M

P

P

M

L

I

L

R

R

Y

Y

R

N

T

L

R

A

D
|
D

binding phosphoaminophosphonic acid-adenylate ester: S88 (= S97), S89 (= S98), A213 (= A218), E214 (= E219), P215 (= P220), E236 (≠ I240), Y237 (= Y241), G238 (= G242), S239 (≠ L243), T240 (≠ S244), E241 (= E245), D300 (= D309)
binding magnesium ion: R79 (= R88), E80 (= E89), P121 (≠ A132), T150 (= T161)
binding zinc ion: C249 (= C255), H255 (= H263)

Sites not aligning to the query:

6siwA Paak family amp-ligase with amp (see paper)
32% identity, 67% coverage: 17:309/436 of query aligns to 8:295/432 of 6siwA

query
sites
6siwA

A

S

S

S

L

P

D

A

E

E

L

L

R

A

A

E

L

L

Q

Q

L

R

D

S

R

Q

L

L

R

P

R

R

S

V

L

L

R

A

H

Q

A

A

Y

L

E

R

N

S

V

-

D

P

L

F

Y

Y

R

A

R

A

R

R

F

Y

D

R

E

-

A

-

G

G

V

T

H

T

P

P

D

P

D

-

L

-

R

R

E

T

L

A

S

D

D

D

L

F

A

A

R

G

F

V

P

E

F

V

T

T

Q

A

K

K

S

Q

D

D

L

L

R

R

D

D

A

Q

Y

Y

P

P

F

F

G

G

L

M

F

L

A

A

V

V

P

G

R

R

E
|
E

R

H

I
x
L

V

A

R

T

V

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

K

E

A

E

D

D

I

-

E

-

M

-

W

W

S

T

D

D

V

L

M

A

A

E

R

R

S

F

L

A

R

R

A

K

-

W

A

T

G

G

L

I

R

H

A
x
P

G

S

D

D

M

T

V

F

H

L

N

V

A

R

Y

T

G

P

Y

Y

G

G

L

L

F

V

T

I

G

T

G

G

L

H

G

L

A

A

H

Q

Y

A

G

A

I

G

E

R

R

L

L

R

G