SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_109969346.1 NCBI__GCF_003173355.1:WP_109969346.1 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 20 (the maximum) hits to proteins with known functional sites (download)

4r1mA Crystal structure of a putative acyl-coa ligase (bt_0428) from bacteroides thetaiotaomicron vpi-5482 at 2.48 a resolution
48% identity, 99% coverage: 2:427/429 of query aligns to 6:434/435 of 4r1mA

query
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4r1mA

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binding adenosine monophosphate: A215 (= A208), E216 (= E209), P217 (= P210), N236 (≠ D229), S237 (= S230), F238 (≠ Y231), G239 (= G232), M240 (= M233), T241 (≠ S234), D305 (= D298), R329 (= R321), I335 (≠ V327), N340 (= N332)
binding zinc ion: C252 (= C245), H259 (= H252), C314 (= C307), C316 (= C309)

4r1lA Crystal structure of a putative acyl-coa ligase (bt_0428) from bacteroides thetaiotaomicron vpi-5482 at 2.42 a resolution
48% identity, 99% coverage: 2:427/429 of query aligns to 6:432/433 of 4r1lA

query
sites
4r1lA

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binding adenosine-5'-diphosphate: A215 (= A208), E216 (= E209), P217 (= P210), S237 (= S230), F238 (≠ Y231), G239 (= G232), M240 (= M233), T241 (≠ S234), D305 (= D298), R329 (= R321), N340 (= N332)
binding adenosine monophosphate: A215 (= A208), E216 (= E209), P217 (= P210), S237 (= S230), F238 (≠ Y231), G239 (= G232), M240 (= M233), T241 (≠ S234), D305 (= D298), R329 (= R321), N340 (= N332)
binding coenzyme a: S136 (≠ M131), A164 (≠ T159), G165 (= G160), N166 (= N161), S167 (≠ T162), I185 (≠ T180), Y188 (= Y183), K337 (≠ R329), T408 (≠ R401)
binding zinc ion: C252 (= C245), H259 (= H252), C314 (= C307), C316 (= C309)

2y4oA Crystal structure of paak2 in complex with phenylacetyl adenylate (see paper)
45% identity, 98% coverage: 7:427/429 of query aligns to 9:433/433 of 2y4oA

query
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2y4oA

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Y

V

F

T

K

D

G

G

E

E

L

R

A

A

D

A

L

L

-

A

K

R

N

E

L

L

Q

Q

N

H

R

R

V

I

V

-

K

-

T

-

L

-

R

K

D

T

V

M

L

V

E

G

L

V

R

S

T

S

T

G

V

V

R

T

L

V

V

L

E

A

P

A

G

G

T

G

L

I

P

P

R

A

F

T

E

A

-

T

G

G

K

K

A

A

K

R

R

R

V

V

V

I

D

D

Q

R

R

R

E

Q

binding 5'-o-[hydroxy(phenylacetyl)phosphoryl]adenosine: F135 (≠ V132), F140 (= F137), A213 (= A208), E214 (= E209), P215 (= P210), I235 (≠ S230), G237 (= G232), L238 (≠ M233), S239 (= S234), P244 (= P239), D304 (= D298), R325 (= R321), I331 (≠ V327), N336 (= N332)

2y4oB Crystal structure of paak2 in complex with phenylacetyl adenylate (see paper)
46% identity, 98% coverage: 7:426/429 of query aligns to 9:432/432 of 2y4oB

query
sites
2y4oB

M

I

E

E

T

T

I

A

S

S

Q

R

A

D

D

E

L

L

Q

Q

T

A

L

L

Q

Q

L

L

K

E

R

R

L

L

R

K

E

W

T

S

V

L

E

R

R

H

C

A

-

Y

G

D

Q

N

I

V

G

P

F

H

F

Y

K

R

D

R

K

T

F

F

R

D

E

A

T

A

G

G

V

V

G

H

P

P

D

D

S

D

I

L

K

K

S

S

L

L

E

A

D

D

L

L

Q

A

K

K

L

F

P

P

F

F

T

S

R

T

K

K

T

N

D

D

L

L

R

R

A

D

G

N

Y

Y

P

P

F

F

G

G

F

L

F

F

A

A

V

V

P

P

R

R

R

E

E

Q

V

V

R

R

I

V

H

H

T

A

T

S

S

S

G

G

T

T

G

G

K

K

P

P

T

T

V

V

G

G

Y

Y

T

T

R

A

G

R

D

D

L

I

D

D

K

T

W

W

S

A

S

N

L

V

I

T

A

A

R

R

N

S

L

I

T

R

M

A

V

A

G

G

L

G

T

R

S

P

D

G

D

D

V

T

F

L

Q

H

N

N

M

A

V
x
F

N

G

Y

Y

G

G

M

L

F
|
F

T

T

G

G

L

L

G

G

F

I

H

H

Y

Y

G

G

S

A

E

E

K

R

I

L

G

G

M

C

T

M

T

V

I

V

P

P

S

M

A

S

T

G

G

G

N

Q

T

T

R

E

R

K

Q

Q

I

V

E

Q

M

L

I

I

Q

R

D

D

F

F

G

E

V

P

T

K

A

I

I

I

H

L

C

V

T

T

P

P

S

S

Y

Y

A

M

L

L

H

N

L

L

A

I

E

D

-

E

-

M

A

V

A

R

E

Q

E

G

M

M

N

D

A

P

D

A

L

E

S
|
S

A

S

L

L

K

K

V

I

G

G

M

I

F

F

G
|
G

A
|
A

E
|
E

P
|
P

W

W

S

T

D

Q

A

A

M

L

R

R

H

N

D

E

L

V

E

E

A

T

K

R

L
x
V

G

G

V

I

E

D

A

A

F

L

D

D

S
x
I

Y

Y

G
|
G

M
x
L

S
|
S

E

E

L

V

Y

M

G

G

P
|
P

G

G

V

V

A

A

F

C

E

E

C

C

Q

V

E

E

-

T

H

K

N

D

G

G

L

P

H

V

I

I

W

W

H

E

D

D

S

H

Y

F

L

Y

V

P

E

E

I

I

D

D

P

P

K

V

T

T

G

G

E

E

Q

V

L

L

G

P

P

D

G

G

E

S

R

Q

G

G

E

E

L

L

V

V

V

F

T

T

P

S

L

L

V

T

K

K

E

E

A

A

M

M

P

P

L

V

V

I

R

R

Y

Y

R

R

T

T

G

R

D
|
D

I

L

T

T

M

A

L

L

D

P

E

T

C

A

P

R

C

A

G

M

R

R

G

-

P

-

K

R

L

L

A

A

R

K

F

I

T

T

G

G

R
|
R

S

S

D

D

M

M

L

L

V
x
I

I

V

R

R

G

G

I

V

N
|
N

V

V

F

F

P

P

S

S

Q

Q

I

I

E

E

H

E

V

I

L

V

E

A

I

L

P

P

E

L

V

L

G

S

N

G

H

Q

Y

F

M

Q

V

I

Y

T

V

L

N

S

R

R

V

D

N

G

H

H

M

M

D

D

E

R

M

L

T

D

I

L

D

A

V

V

E

E

V

L

-

R

-

S

-

E

-

A

A

A

P

A

G

S

Y

V

F

T

K

D

G

G

E

E

L

R

A

A

D

A

L

L

-

A

K

R

N

E

L

L

Q

Q

N

H

R

R

V

I

V

-

K

-

T

-

L

-

R

K

D

T

V

M

L

V

E

G

L

V

R

S

T

S

T

G

V

V

R

T

L

V

V

L

E

A

P

A

G

G

T

G

L

I

P

P

R

A

F

T

E

A

-

T

G

G

K

K

A

A

K

R

R

R

V

V

V

I

D

D

Q

R

R

R

binding 5'-o-[hydroxy(phenylacetyl)phosphoryl]adenosine: F135 (≠ V132), F140 (= F137), G212 (= G207), A213 (= A208), E214 (= E209), P215 (= P210), I235 (≠ S230), G237 (= G232), L238 (≠ M233), S239 (= S234), P244 (= P239), D304 (= D298), R325 (= R321), I331 (≠ V327), N336 (= N332)
binding magnesium ion: S204 (= S199), V228 (≠ L223)

2y27B Crystal structure of paak1 in complex with atp from burkholderia cenocepacia (see paper)
44% identity, 98% coverage: 7:426/429 of query aligns to 7:427/427 of 2y27B

query
sites
2y27B

M

I

E

E

T

T

I

A

S

S

Q

R

A

D

D

E

L

L

Q

T

T

A

L

L

Q

Q

L

L

K

E

R

R

L

L

R

K

E

W

T

S

V

L

E

R

R

H

C

A

-

Y

G

D

Q

H

I

S

G

P

F

V

F

Y

K

R

D

R

K

K

F

F

R

D

E

E

T

A

G

G

V

V

G

H

P

P

D

D

S

D

I

L

K

K

S

T

L

L

E

A

D

D

L

L

Q

S

K

R

L

F

P

P

F

F

T

T

R

T

K
|
K

T

G

D

D

L

L

R

R

A

D

G

S

Y

Y

P

P

F

F

G

G

F

M

F

F

A

A

V

V

P

P

R

Q

R

D

E

R

V

I

V

S

R

R

I

I

H

H

T

A

T
x
S

S
|
S

G
|
G

T
|
T

G

G

K

K

P

P

T

T

V

V

G

G

Y

Y

T

T

R

A

G

A

D

D

L

I

D

D

K

T

W

W

S

A

S

N

L

L

I

V

A

A

R

R

N

S

L

I

T

R

M

A

V

A

G

G

L

A

T

R

S

R

D

G

D

D

V

K

F

V

Q

H

N

V

M

S

V

Y

N

G

Y

Y

G

G

M

L

F
|
F

T

T

G

G

L

L

G

G

F

A

H

H

Y

Y

G

G

S

A

E

E

K

R

I

A

G

G

M

L

T

T

T

V

I

I

P

P

S

F

A

G

T

G

G

G

N

Q

T

T

R

E

R

K

Q

Q

I

V

E

Q

M

L

I

I

Q

Q

D

D

F

F

G

R

V

P

T

D

A

I

I

I

H

M

C

V

T

T

P

P

S

S

Y

Y

A

M

L

L

H

S

L

I

A

A

E

D

A

E

A

I

E

E

E

R

M

Q

N

G

A

L

D

D

-

P

-
x
V

L

Q

S
|
S

A

S

L
|
L

K

R

V

I

G

G

M

I

F

F

G

G

A
|
A

E
|
E

P
|
P

W

W

S

T

D

N

A

D

M

M

R

R

H

V

D

A

L

I

E

E

A

Q

K

R

L
x
M

G
|
G

V

I

E

D

A

A

F

V

D
|
D

S
x
I

Y
|
Y

G
|
G

M
x
L

S
|
S

E

E

L

V

Y

M

G

G

P

P

G

G

V

V

A

A

F

S

E

E

C

C

Q

V

E

E

-

T

H

K

N

D

G

G

L

P

H

T

I

I

W

W

H

E

D

D

S

H

Y

F

L

Y

V

P

E

E

I

I

D

D

P

P

K

E

T

T

G

G

E

E

Q

V

L

L

G

P

P

D

G

G

E

E

R

L

G

G

E

E

L

L

V

V

V

F

T

T

P

S

L

L

V

T

K

K

E

E

A

A

M

L

P

P

L

I

V

I

R

R

Y

Y

R

R

T

T

G

R

D
|
D

I

L

T

T

M

R

L

L

D

P

D

G

E

T

C

A

P

R

C

T

G

M

R

R

G

-

P

-

K

R

L

M

A

E

R

K

F
x
I

T

T

G

G

R
|
R

S

S

D

D

M

M

L

M

V

I

I

V

R

R

G

G

I

V

N

N

V

V

F

F

P

P

S

T

Q

Q

I

I

E

E

H

E

V

Q

L

L

E

K

I
x
Q

P

R

E

A

V
x
L

G

A

N

P

H

H

Y

Y

M

Q

V

I

Y

V

V

L

N

T

R

K

V

E

N

G

H

P

M

L

D

D

E

V

M

L

T

T

I

L

D

N

V

V

E

E

V

P

A

C

P

P

G

E

Y

T

F

A

K

P

G

-

E

D

L

T

A

A

D

A

L

I

K

Q

N

V

L

A

Q

K

N

Q

R

A

V

L

V

A

K

Y

T

D

L

I

R

K

D

S

V

L

L

I

E

G

L

V

R

T

T

A

T

V

V

I

R

N

L

V

V

L

E

P

P

V

G

N

T

G

L

I

P

E

R

R

F

S

E

V

G

G

K
|
K

A

A

K

R

R

R

V

V

D

D

Q

K

R

R

binding adenosine-5'-triphosphate: K65 (= K64), S90 (≠ T89), S91 (= S90), G92 (= G91), T93 (= T92), T94 (= T93), F138 (= F137), A211 (= A208), E212 (= E209), P213 (= P210), D232 (= D229), I233 (≠ S230), Y234 (= Y231), G235 (= G232), L236 (≠ M233), S237 (= S234), D302 (= D298), I320 (≠ F318), R323 (= R321), K419 (= K418)
binding magnesium ion: V200 (vs. gap), S202 (= S199), L204 (= L201), M226 (≠ L223), G227 (= G224), Q347 (≠ I345), L350 (≠ V348)

2y4nA Paak1 in complex with phenylacetyl adenylate (see paper)
44% identity, 98% coverage: 7:427/429 of query aligns to 7:426/426 of 2y4nA

query
sites
2y4nA

M

I

E

E

T

T

I

A

S

S

Q

R

A

D

D

E

L

L

Q

T

T

A

L

L

Q

Q

L

L

K

E

R

R

L

L

R

K

E

W

T

S

V

L

E

R

R

H

C

A

-

Y

G

D

Q

H

I

S

G

P

F

V

F

Y

K

R

D

R

K

K

F

F

R

D

E

E

T

A

G

G

V

V

G

H

P

P

D

D

S

D

I

L

K

K

S

T

L

L

E

A

D

D

L

L

Q

S

K

R

L

F

P

P

F

F

T

T

R

T

K

K

T

G

D

D

L

L

R

R

A

D

G

S

Y

Y

P

P

F

F

G

G

F

M

F

F

A

A

V

V

P

P

R

Q

R

D

E

R

V

I

V

S

R

R

I

I

H

H

T

A

T

S

S

S

G

G

T

-

G

G

K

K

P

P

T

T

V

V

G

G

Y

Y

T

T

R

A

G

A

D

D

L

I

D

D

K

T

W

W

S

A

S

N

L

L

I

V

A

A

R

R

N

S

L

I

T

R

M

A

V

A

G

G

L

A

T

R

S

R

D

G

D

D

V

K

F

V

Q

H

N

V

M

S

V
x
Y

N

G

Y

Y

G

G

M

L

F
|
F

T

T

G
|
G

G

G

L

L

G

G

F

A

H

H

Y

Y

G

G

S

A

E

E

K

R

I

A

G

G

M

L

T

T

T

V

I

I

P

P

S

F

A

G

T

G

G

G

N

Q

T

T

R

E

R

K

Q

Q

I

V

E

Q

M

L

I

I

Q

Q

D

D

F

F

G

R

V

P

T

D

A

I

I

I

H

M

C

V

T

T

P

P

S

S

Y

Y

A

M

L

L

H

S

L

I

A

A

E

D

A

E

A

I

E

E

E

R

M

Q

N

G

A

L

D

D

-

P

-
x
V

L

Q

S
|
S

A

S

L

L

K

R

V

I

G

G

M

I

F

F

G
|
G

A
|
A

E
|
E

P
|
P

W

W

S

T

D

N

A

D

M

M

R

R

H

V

D

A

L

I

E

E

A

Q

K

R

L

M

G

G

V

I

E

D

A

A

F

V

D

D

S
x
I

Y
|
Y

G
|
G

M
x
L

S
|
S

E

E

L

V

Y

M

G

G

P
|
P

G

G

V

V

A

A

F

S

E

E

C

C

Q

V

E

E

-

T

H

K

N

D

G

G

L

P

H

T

I

I

W

W

H

E

D

D

S

H

Y

F

L

Y

V

P

E

E

I

I

D

D

P

P

K

E

T

T

G

G

E

E

Q

V

L

L

G

P

P

D

G

G

E

E

R

L

G

G

E

E

L

L

V

V

V

F

T

T

P

S

L

L

V

T

K

K

E

E

A

A

M

L

P

P

L

I

V

I

R

R

Y

Y

R

R

T

T

G

R

D
|
D

I

L

T

T

M

R

L

L

D

P

D

G

E

T

C

A

P

R

C

T

G

M

R

R

G

-

P

-

K

R

L

M

A

E

R

K

F

I

T

T

G

G

R
|
R

S

S

D

D

M

M

L

M

V

I

I

V

R

R

G

G

I

V

N

N

V

V

F

F

P

P

S

T

Q

Q

I

I

E

E

H

E

V

Q

L

L

E

K

I
x
Q

P

R

E

A

V
x
L

G

A

N

P

H

H

Y

Y

M

Q

V

I

Y

V

V

L

N

T

R

K

V

E

N

G

H

P

M

L

D

D

E

V

M

L

T

T

I

L

D

N

V

V

E

E

V

P

A

C

P

P

G

E

Y

T

F

A

K

P

G

-

E

D

L

T

A

A

D

A

L

I

K

Q

N

V

L

A

Q

K

N

Q

R

A

V

L

V

A

K

Y

T

D

L

I

R

K

D

S

V

L

L

I

E

G

L

V

R

T

T

A

T

V

V

I

R

N

L

V

V

L

E

P

P

V

G

N

T

G

L

I

P

E

R

R

F

S

E

V

G

G

K
|
K

A

A

K

R

R

R

V

V

D

D

Q

K

R

R

E

K

binding 5'-o-[hydroxy(phenylacetyl)phosphoryl]adenosine: Y131 (≠ V132), F136 (= F137), G138 (= G139), G208 (= G207), A209 (= A208), E210 (= E209), P211 (= P210), I231 (≠ S230), Y232 (= Y231), G233 (= G232), L234 (≠ M233), S235 (= S234), P240 (= P239), D300 (= D298), R321 (= R321), K417 (= K418)
binding magnesium ion: V198 (vs. gap), S200 (= S199), Q345 (≠ I345), L348 (≠ V348)

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, 100% coverage: 2:429/429 of query aligns to 24:467/477 of 6he0A

query
sites
6he0A

F

Y

W

W

D

F

K

P

A

R

M

R

E

E

T

T

I

M

S

P

Q

A

A

A

D

E

L

R

Q

D

T

K

L

A

Q

I

L

L

K

G

R

R

L

L

R

Q

E

Q

T

V

V

C

E

Q

R

Y

C

A

G

W

Q

E

I

H

G

A

-

P

F

F

F

Y

K

R

D

R

K

K

F

W

R

E

E

E

T

A

G

G

V

F

G

Q

P

P

D

S

S

Q

I

L

K

K

S

S

L

L

E

E

D

D

L

F

Q

E

-

A

K

R

L

V

P

P

F

V

T

V

R

K

K

K

T

T

D

D

L

L

R

R

-

E

-

S

-

Q

-

A

A

A

G

H

Y

P

P

P

F

F

G

G

-

D

F

Y

F

V

A

C

V

V

P

P

R

N

R

S

E

E

V

I

V

F

R

H

I

V

H

H

T

G

T

T

S

S

G

G

T

T

G

G

K

R

P

P

T

T

V

A

V

F

G

G

Y

I

T

G

R

R

G

A

D

D

L

W

D

R

K

A

W

I

S

A

S

N

L

A

I

H

A

A

R

R

N

I

L

M

T

W

M

G

V

M

G

G

L

I

T

R

S

P

D

G

D

D

V

L

F

V

Q

C

N

V

M

A

V

A

N

V

Y

F

G

S

M

L

F
x
Y

T

M

G

G

G

S

L

W

G

G

F

A

H

L

Y

A

G

G

S

A

E

E

K

R

I

L

G

R

M

A

T

K

T

A

I

F

P

P

-

F

-

G

-
x
A

S
x
G

A

A

T
x
P

G

G

N

M

T
x
S

R

A

R

R

Q

L

I

V

E

Q

M

W

I

L

Q

D

D

T

F

M

G

K

V

P

T

A

A

A

I

F

H
x
Y

C
x
G

T
|
T

P

P

S

S

Y
|
Y

A

A

L

I

H
|
H

L

L

A

A

E

E

A

V

A

A

-

R

-

E

E

E

E

K

M

L

N

N

A

P

D

R

L

N

S

F

A

G

L

L

K

K

V

C

G

L

M

F

F

F

G
x
S

A
x
G

E
|
E

P
|
P

W

G

S

A

D

S

-

V

-

P

A

G

M

V

R

K

H

D

D

R

L

I

E

E

A

E

K

A

L

Y

G

G

V

A

E

K

A

V

F

Y

D

D

S
x
C

Y
x
G

G
x
S

M
|
M

S
x
A

E
|
E

L

M

Y

-

G

S

P

P

-

F

-

M

G

N

V

V

A

A

F

G

E

T

C

E

Q

Q

E

S

H

N

N

D

G

G

L

M

H

L

I

C

W

W

H

Q

D

D

S

I

Y

I

L

Y

V

T

E

E

I

V

I

C

D

D

P

P

K

A

T

N

G

M

E

R

Q

R

L

V

G

P

P

Y

G

G

E

Q

R

R

G

G

E

T

L

P

V

V

V

Y

T

T

P

H

L

L

V

E

K

R

E

T

A

S

M

Q

P

P

L

M

V

I

R

R

Y

L

R

L

T

S

G

G

D
|
D

I

L

T

T

M

L

L

W

L

T

D

N

D

D

E

E

C

N

P

P

C

C

G

G

R

R

G

T

-

Y

P

P

K

R

L

L

A

P

R

Q

-

G

F
x
I

T

F

G

G

R

R

S

I

D

D

M

M

L

F

V

T

I

I

R
|
R

G
|
G

I

E

N
|
N

V

I

F

Y

P

P

S

S

Q

E

I

I

E

D

H

A

V

A

L

L

L

N

E

Q

I

M

P

S

E

G

V

Y

G

G

N

G

H

E

Y

H

M

R

V

I

Y

V

V

I

N

T

R

R

V

E

N

S

H

A

M
|
M

D

D

E

E

M

L

T

L

I

L

D

R

V

V

E

E

V

P

A

S

P

E

G

S

Y

V

F

H

K

A

G

A

E

G

L

A

A

A

D

A

L

L

K

E

N

T

L

F

Q

R

N

T

R

E

V

A

V

S

K

H

T

R

L

V

R

Q

D

T

V

V

L

L

E

G

L
x
V

R
|
R

T

A

T

K

V

V

R

E

L

L

V

V

E

A

P

P

G

N

T

S

L

I

P

A

R

R

F

T

E

D

G

-

K

K

A

A

K

R

R

R

V

V

V

I

D

D

Q

D

R

R

E

E

V

V

F

F

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 (≠ G207), G242 (≠ A208), E243 (= E209), P244 (= P210), G267 (≠ Y231), S268 (≠ G232), M269 (= M233), A270 (≠ S234), D335 (= D298), I357 (≠ F318), N371 (= N332)
binding adenosine monophosphate: G242 (≠ A208), E243 (= E209), P244 (= P210), C266 (≠ S230), G267 (≠ Y231), S268 (≠ G232), A270 (≠ S234), E271 (= E235), D335 (= D298), N371 (= N332)
binding coenzyme a: Y166 (≠ F137), A188 (vs. gap), G189 (≠ S157), P191 (≠ T159), S194 (≠ T162), Y210 (≠ H178), G211 (≠ C179), T212 (= T180), Y215 (= Y183), H218 (= H186), R368 (= R329), G369 (= G330), M401 (= M362), V439 (≠ L400), R440 (= R401)

6hdyA Crystal structure of 2-hydroxyisobutyryl-coa ligase (hcl) in the postadenylation state in complex with s3-hb-amp (see paper)
32% identity, 100% coverage: 2:429/429 of query aligns to 24:464/474 of 6hdyA

query
sites
6hdyA

F

Y

W

W

D

F

K

P

A

R

M

R

E

E

T

T

I

M

S

P

Q

A

A

A

D

E

L

R

Q

D

T

K

L

A

Q

I

L

L

K

G

R

R

L

L

R

Q

E

Q

T

V

V

C

E

Q

R

Y

C

A

G

W

Q

E

I

H

G

A

-

P

F

F

F

Y

K

R

D

R

K

K

F

W

R

E

E

E

T

A

G

G

V

F

G

Q

P

P

D

S

S

Q

I

L

K

K

S

S

L

L

E

E

D

D

L

F

Q

E

-

A

K

R

L

V

P

P

F

V

T

V

R

K

K

K

T

T

D

D

L

L

R

R

-

E

-

S

-

Q

-

A

A

A

G

H

Y

P

P

P

F

F

G

G

-

D

F

Y

F

V

A

C

V

V

P

P

R

N

R

S

E

E

V

I

V

F

R

H

I

V

H

H

T

G

T

T

S

S

G

-

T

-

G

-

K

R

P

P

T

T

V

A

V

F

G

G

Y

I

T

G

R

R

G

A

D

D

L

W

D

R

K

A

W

I

S

A

S

N

L

A

I

H

A

A

R

R

N

I

L

M

T

W

M

G

V

M

G

G

L

I

T

R

S

P

D

G

D

D

V

L

F

V

Q

C

N

V

M

A

V

A

N

V

Y

F

G

S

M

L

F
x
Y

T

M

G
|
G

G

S

L

W

G

G

F

A

H

L

Y

A

G

G

S

A

E

E

K

R

I

L

G

R

M

A

T

K

T

A

I

F

P

P

-

F

-

G

-

A

S

G

A

A

T

P

G

G

N

M

T

S

R

A

R

R

Q

L

I

V

E

Q

M

W

I

L

Q

D

D

T

F

M

G

K

V

P

T

A

A

A

I

F

H

Y

C

G

T

T

P

P

S

S

Y

Y

A

A

L

I

H

H

L

L

A

A

E

E

A

V

A

A

-

R

-

E

E

E

E

K

M

L

N

N

A

P

D

R

L

N

S

F

A

G

L

L

K

K

V

C

G

L

M

F

F

F

G
x
S

A
x
G

E
|
E

P
|
P

W

G

S

A

D

S

-

V

-

P

A

G

M

V

R

K

H

D

D

R

L

I

E

E

A

E

K

A

L

Y

G

G

V

A

E

K

A

V

F

Y

D

D

S
x
C

Y
x
G

G
x
S

M
|
M

S
x
A

E

E

L

M

Y

-

G

S

P

P

-
x
F

-

M

G

N

V

V

A

A

F

G

E

T

C

E

Q

Q

E

S

H

N

N

D

G

G

L

M

H

L

I

C

W

W

H

Q

D

D

S

I

Y

I

L

Y

V

T

E

E

I

V

I

C

D

D

P

P

K

A

T

N

G

M

E

R

Q

R

L

V

G

P

P

Y

G

G

E

Q

R

R

G

G

E

T

L

P

V

V

V

Y

T

T

P

H

L

L

V

E

K

R

E

T

A

S

M

Q

P

P

L

M

V

I

R

R

Y

L

R

L

T

S

G

G

D
|
D

I

L

T

T

M

L

L

W

L

T

D

N

D

D

E

E

C

N

P

P

C

C

G

G

R

R

G

T

-

Y

P

P

K

R

L

L

A

P

R

Q

-

G

F
x
I

T

F

G

G

R
|
R

S

I

D

D

M

M

L

F

V

T

I

I

R

R

G

G

I

E

N

N

V

I

F

Y

P

P

S

S

Q

E

I

I

E

D

H

A

V

A

L

L

L

N

E

Q

I

M

P

S

E

G

V

Y

G

G

N

G

H

E

Y

H

M

R

V

I

Y

V

V

I

N

T

R

R

V

E

N

S

H

A

M

M

D

D

E

E

M

L

T

L

I

L

D

R

V

V

E

E

V

P

A

S

P

E

G

S

Y

V

F

H

K

A

G

A

E

G

L

A

A

A

D

A

L

L

K

E

N

T

L

F

Q

R

N

T

R

E

V

A

V

S

K

H

T

R

L

V

R

Q

D

T

V

V

L

L

E

G

L

V

R

R

T

A

T

K

V

V

R

E

L

L

V

V

E

A

P

P

G

N

T

S

L

I

P

A

R

R

F

T

E

D

G

F

K
|
K

A

A

K

R

R

R

V

V

V

I

D

D

Q

D

R

R

E

E

V

V

F

F

binding (3s)-3-hydroxybutanoic acid: Y162 (≠ F137), S237 (≠ G207), G263 (≠ Y231), S264 (≠ G232), M265 (= M233), A266 (≠ S234), F271 (vs. gap)
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 (≠ F137), G164 (= G139), S237 (≠ G207), G238 (≠ A208), E239 (= E209), P240 (= P210), C262 (≠ S230), G263 (≠ Y231), S264 (≠ G232), A266 (≠ S234), F271 (vs. gap), D331 (= D298), I353 (≠ F318), R356 (= R321), K453 (= K418)

6hdxA Crystal structure of 2-hydroxyisobutyryl-coa ligase (hcl) in the postadenylation state in complex with r3-hib-amp (see paper)
32% identity, 100% coverage: 2:429/429 of query aligns to 24:464/474 of 6hdxA

query
sites
6hdxA

F

Y

W

W

D

F

K

P

A

R

M

R

E

E

T

T

I

M

S

P

Q

A

A

A

D

E

L

R

Q

D

T

K

L

A

Q

I

L

L

K

G

R

R

L

L

R

Q

E

Q

T

V

V

C

E

Q

R

Y

C

A

G

W

Q

E

I

H

G

A

-

P

F

F

F

Y

K

R

D

R

K

K

F

W

R

E

E

E

T

A

G

G

V

F

G

Q

P

P

D

S

S

Q

I

L

K

K

S

S

L

L

E

E

D

D

L

F

Q

E

-

A

K

R

L

V

P

P

F

V

T

V

R

K

K

K

T

T

D

D

L

L

R

R

-

E

-

S

-

Q

-

A

A

A

G

H

Y

P

P

P

F

F

G

G

-

D

F

Y

F

V

A

C

V

V

P

P

R

N

R

S

E

E

V

I

V

F

R

H

I

V

H

H

T

G

T

T

S

S

G

-

T

-

G

-

K

R

P

P

T

T

V

A

V

F

G

G

Y

I

T

G

R

R

G

A

D

D

L

W

D

R

K

A

W

I

S

A

S

N

L

A

I

H

A

A

R

R

N

I

L

M

T

W

M

G

V

M

G

G

L

I

T

R

S

P

D

G

D

D

V

L

F

V

Q

C

N

V

M

A

V

A

N

V

Y

F

G

S

M

L

F
x
Y

T

M

G
|
G

G

S

L

W

G

G

F

A

H

L

Y

A

G

G

S

A

E

E

K

R

I

L

G

R

M

A

T

K

T

A

I

F

P

P

-

F

-

G

-

A

S

G

A

A

T

P

G

G

N

M

T

S

R

A

R

R

Q

L

I

V

E

Q

M

W

I

L

Q

D

D

T

F

M

G

K

V

P

T

A

A

A

I

F

H

Y

C

G

T

T

P

P

S

S

Y

Y

A

A

L

I

H

H

L

L

A

A

E

E

A

V

A

A

-

R

-

E

E

E

E

K

M

L

N

N

A

P

D

R

L

N

S

F

A

G

L

L

K

K

V

C

G

L

M

F

F

F

G
x
S

A
x
G

E
|
E

P
|
P

W

G

S

A

D

S

-

V

-

P

A

G

M

V

R

K

H

D

D

R

L

I

E

E

A

E

K

A

L

Y

G

G

V

A

E

K

A

V

F

Y

D

D

S
x
C

Y
x
G

G
x
S

M

M

S
x
A

E

E

L

M

Y

-

G

S

P

P

-
x
F

-

M

G

N

V

V

A

A

F

G

E

T

C

E

Q

Q

E

S

H

N

N

D

G

G

L

M

H

L

I

C

W

W

H

Q

D

D

S

I

Y

I

L

Y

V

T

E

E

I

V

I

C

D

D

P

P

K

A

T

N

G

M

E

R

Q

R

L

V

G

P

P

Y

G

G

E

Q

R

R

G

G

E

T

L

P

V

V

V

Y

T

T

P

H

L

L

V

E

K

R

E

T

A

S

M

Q

P

P

L

M

V

I

R

R

Y

L

R

L

T

S

G

G

D
|
D

I

L

T

T

M

L

L

W

L

T

D

N

D

D

E

E

C

N

P

P

C

C

G

G

R

R

G

T

-

Y

P

P

K

R

L

L

A

P

R

Q

-

G

F
x
I

T

F

G

G

R
|
R

S

I

D

D

M

M

L

F

V

T

I

I

R

R

G

G

I

E

N

N

V

I

F

Y

P

P

S

S

Q

E

I

I

E

D

H

A

V

A

L

L

L

N

E

Q

I

M

P

S

E

G

V

Y

G

G

N

G

H

E

Y

H

M

R

V

I

Y

V

V

I

N

T

R

R

V

E

N

S

H

A

M

M

D

D

E

E

M

L

T

L

I

L

D

R

V

V

E

E

V

P

A

S

P

E

G

S

Y

V

F

H

K

A

G

A

E

G

L

A

A

A

D

A

L

L

K

E

N

T

L

F

Q

R

N

T

R

E

V

A

V

S

K

H

T

R

L

V

R

Q

D

T

V

V

L

L

E

G

L

V

R

R

T

A

T

K

V

V

R

E

L

L

V

V

E

A

P

P

G

N

T

S

L

I

P

A

R

R

F

T

E

D

G

F

K
|
K

A

A

K

R

R

R

V

V

V

I

D

D

Q

D

R

R

E

E

V

V

F

F

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 (≠ F137), G164 (= G139), S237 (≠ G207), G238 (≠ A208), E239 (= E209), P240 (= P210), C262 (≠ S230), G263 (≠ Y231), S264 (≠ G232), A266 (≠ S234), F271 (vs. gap), D331 (= D298), I353 (≠ F318), R356 (= R321), K453 (= K418)
binding (2r)-3-hydroxy-2-methylpropanoic acid: Y162 (≠ F137), G164 (= G139), S237 (≠ G207), G263 (≠ Y231), S264 (≠ G232), A266 (≠ S234), F271 (vs. gap)

6siwA Paak family amp-ligase with amp (see paper)
28% identity, 98% coverage: 11:429/429 of query aligns to 9:413/432 of 6siwA

query
sites
6siwA

S

S

Q

P

A

A

D

E

L

L

Q

A

T

E

L

L

Q

Q

L

R

K

S

R

Q

L

L

R

P

E

R

T

V

V

L

E

A

R

Q

C

A

G

L

Q

R

I

S

G

P

F

F

F

Y

K

A

D

A

K

R

F

Y

R

R

E

-

T

-

G

-

V

-

G

G

P

T

D

T

S

P

I

P

K

R

S

T

L

A

E

D

D

D

L

F

Q

A

K

G

L

V

P

E

F

V

T

T

R

A

K

K

T

Q

D

D

L

L

R

R

A

D

G

Q

Y

Y

P

P

F

F

G

G

F

M

F

L

A

A

V

V

P

G

R

R

R
x
E

E

H

V
x
L

V

A

R

T

I

Y

H

H

T

E

T
x
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

R

E

G

E

D

D

L

W

D

T

K

D

W

L

S

A

S

E

L

R

I

F

A

A

R

R

N

K

L

W

T

T

M

-

V

-

G

G

L

I

T

H

S
x
P

D

S

D

D

V

T

F

F

Q

L

N

V

M

R

V

T

N

P

Y

Y

G

G

M

L

F

V

T

I

G

T

G

G

L

H

G

L

F

A

H

Q

Y

A

G

A

S

G

E

R

K

L

I

R

G
|
G

M

A

T
|
T

T

V

I

V

P

P

-

G

-

D

-

A

-

R

S

S

A

L

T

A

G

T

N

P

T

L

R

S

R

R

Q

M

I

V

E

R

M

V

I

L

Q

K

D

T

F

L

G

D

V

V

T

T

A

L

I

T

H

W

C

C

T

N

P

P

S

T

Y

E

A

I

L

T

H

M

L

L

A

A

E

A

A

A

E

K

E

A

M

A

-

G

-

L

-

R

-

P

N

D

A

Q

D

D

L

F

S

P

A

H

L

L

K

R

V

A

G

M

M

F

F

T

G

A

A
|
A

E
|
E

P
|
P

W

L

S

T

D

E

A

V

M

R

R

R

H

R

D

R

L

L

-

S

E

E

A

I

K

W

L

G

G

G

V

I

E

P

A

V

F

V

D

E

S
x
E

Y
|
Y

G
|
G

M
x
S

S
x
T

E
|
E

L

T

Y

G

G

-

P

-

G

T

V

I

A

A

F

G

E

Q

C
|
C

Q

P

E

E

H

G

N

R

G

-

L

M

H
|
H

I

L

W

W

H

A

D

D

S

R

Y

A

L

I

V

F

E

E

I

V

I

Y

D

D

P

P

K

R

T

T

G

G

E

-

Q

T

L

L

G

S

P

E

G

A

E

G

R

R

G

G

E

Q

L

M

V

V

T

T

P

P

L

L

V

Y

K

R

E

D

A

A

M

M

P

P

L

L

V

L

R

R

Y

Y

R

N

T

L

G

A

D
|
D

I

D

T

V

M

E

L

V

L

S

D

T

D

D

E

P

C
|
C

P

G

C
|
C

G

G

R

W

G

L

P

L

K

P

L

T

A

V

R

T

F
x
V

T

L

G

G

R

R

S

A

D

G

D

T

M

G

L

H

V

R

I

I

R

G

G

P

I

A

N

T

V

V

F

T

P

Q

S

Q

Q

R

I

L

E

E

H

E

V

L

L

V

L

F

E

S

I

L

P

P

E

-

V

-

G

A

N

A

H

Y

Y

E

M

V

V

M

Y

F

V

W

N

R

R

A

V

K

N

A

H

H

M

P

D

D

E

V

M

L

T

E

I

L

D

E

V

F

E

E

V

-

A

A

P

P

G

-

Y

-

F

-

K

-

G

-

E

-

L

-

A

-

D

-

L

-

K

E

N

P

L

V

Q

R

N

Q

R

R

V

A

V

V

K

K

T

E

L

L

R

G

D

A

V

A

L

L

-

D

-

R

E

E

L

L

R

G

T

V

T

P

V

H

R

R

L

I

-

T

-

G

V

L

E

A

P

P

G

G

T

T

L

L

P

-

R

-

F

-

E

-

G

V

K

P

A
&nb