SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011385134.1 NCBI__GCF_000009985.1:WP_011385134.1 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 14 hits to proteins with known functional sites (download)

2y27B Crystal structure of paak1 in complex with atp from burkholderia cenocepacia (see paper)
72% identity, 96% coverage: 16:439/442 of query aligns to 4:427/427 of 2y27B

query
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2y27B

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binding adenosine-5'-triphosphate: K65 (= K77), S90 (= S102), S91 (= S103), G92 (= G104), T93 (= T105), T94 (= T106), F138 (= F150), A211 (= A223), E212 (= E224), P213 (= P225), D232 (= D244), I233 (= I245), Y234 (= Y246), G235 (= G247), L236 (= L248), S237 (= S249), E238 (= E250), D302 (= D314), I320 (= I332), R323 (= R335), K419 (= K431)
binding magnesium ion: V200 (≠ K212), S202 (≠ C214), L204 (= L216), M226 (= M238), G227 (= G239), Q347 (≠ D359), L350 (= L362)

2y4nA Paak1 in complex with phenylacetyl adenylate (see paper)
72% identity, 96% coverage: 16:439/442 of query aligns to 4:425/426 of 2y4nA

query
sites
2y4nA

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binding 5'-o-[hydroxy(phenylacetyl)phosphoryl]adenosine: Y131 (= Y145), F136 (= F150), T137 (= T151), G138 (= G152), G208 (= G222), A209 (= A223), E210 (= E224), P211 (= P225), D230 (= D244), I231 (= I245), Y232 (= Y246), G233 (= G247), L234 (= L248), S235 (= S249), P240 (= P254), D300 (= D314), R321 (= R335), K417 (= K431)
binding magnesium ion: V198 (≠ K212), S200 (≠ C214), Q345 (≠ D359), L348 (= L362)

2y4nB Paak1 in complex with phenylacetyl adenylate (see paper)
71% identity, 96% coverage: 16:439/442 of query aligns to 3:423/423 of 2y4nB

query
sites
2y4nB

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V

E

E

V

P

R

C

A

P

D

E

Q

T

P

A

Y

P

D

D

D

T

S

A

A

A

L

I

E

Q

A

V

A

A

S

K

K

Q

D

A

L

L

Q

A

H

Y

H

D

I

I

K

K

S

S

Y

L

I

I

G

G

I

V

S

T

T

A

K

V

V

I

N

N

V

V

L

L

A

P

P

V

N

N

S

G

I

I

E

E

R

R

S

S

M

V

G

G

K
|
K

A

A

R

R

R

R

V

V

I

V

D

D

K

K

R

R

binding 5'-o-[hydroxy(phenylacetyl)phosphoryl]adenosine: S89 (= S102), Y129 (= Y145), F134 (= F150), T135 (= T151), G136 (= G152), G206 (= G222), A207 (= A223), E208 (= E224), P209 (= P225), D228 (= D244), I229 (= I245), Y230 (= Y246), G231 (= G247), L232 (= L248), S233 (= S249), P238 (= P254), D298 (= D314), I316 (= I332), R319 (= R335), K415 (= K431)
binding magnesium ion: V196 (≠ K212), S198 (≠ C214), Q343 (≠ D359), R344 (≠ Y360), L346 (= L362)
binding 2-phenylacetic acid: S90 (= S103), G130 (= G146), F134 (= F150), K415 (= K431)

2y4oA Crystal structure of paak2 in complex with phenylacetyl adenylate (see paper)
68% identity, 96% coverage: 16:439/442 of query aligns to 6:432/433 of 2y4oA

query
sites
2y4oA

L

L

D

E

P

P

I

I

E

E

I

T

A

A

S

S

R

R

D

D

Q

E

I

L

T

Q

A

A

L

L

Q

Q

T

L

E

E

R

R

M

L

K

K

W

W

S

S

L

L

T

R

H

H

A

A

Y

Y

N

D

N

N

V

V

E

P

H

H

Y

Y

R

R

N

R

K

T

C

F

R

D

E

A

K

A

G

G

V

V

H

H

P

P

D

D

D

D

F

L

K

K

E

S

L

L

K

A

D

D

L

L

A

A

K

K

F

F

P

P

F

F

T

S

T

T

K

K

S

N

D

D

L

L

R

R

D

D

T

N

Y

Y

P

P

F

F

G

G

M

L

F

F

A

A

V

V

P

P

M

R

D

E

E

Q

V

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

Q

A

N

R

D

D

I

I

D

D

M

T

W

W

A

A

N

N

V

V

M

T

A

A

R

R

S

S

I

I

R

R

A

A

A

A

G

G

G

G

R

R

R

P

S

G

D

D

K

T

C

L

H

H

V

N

S

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

I

V

Q

Q

L

L

I

I

M

R

D

D

F

F

K

E

P

P

E

K

I

I

I

I

M

L

V

V

T

T

P

P

S

S

Y

Y

M

M

L

L

A

N

I

L

A

I

D

D

E

E

M

M

D

V

R

R

Q

Q

G

G

I

M

D

D

T

P

K

A

T

E

C
x
S

P

S

L
|
L

Q

K

V

I

G

G

I

I

F

F

G
|
G

A
|
A

E
|
E

P
|
P

W

W

T

T

G

Q

A

A

M

L

R

R

E

N

E

E

I

V

E

E

V

T

R

R

M

V

G

G

I

I

E

D

A

A

V

L

D
|
D

I
|
I

Y
|
Y

G
|
G

L
|
L

S
|
S

E

E

V

V

I

M

G

G

P
|
P

G

G

V

V

A

A

C

C

E

E

C

C

V

V

E

E

T

T

K

K

D

D

G

G

L

P

H

V

L

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

H

V

T

T

G

G

E

E

V

V

L

L

P

P

D

D

G

G

S

S

M

Q

G

G

E

E

L

L

V

V

F

F

T

T

S

S

L

L

T

T

K

K

E

E

A

A

L

M

P

P

I

V

I

I

R

R

Y

Y

R

R

T

T

R

R

D
|
D

L

L

T

T

Q

A

L

L

L

L

P

P

G

P

T

T

A

A

R

R

S

A

M

M

R

R

R

R

M

L

G

A

K

K

I
|
I

T

T

G

G

R
|
R

S

S

D

D

D

D

M

M

L

L

I
|
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

L

I

I

V

L

V

K

A

D

L

Y

P

R

L

L

L

A

S

P

G

H

Q

Y

F

Q

Q

L

I

E

T

V

L

T

S

R

R

D

D

G

G

H

H

L

M

D

D

S

R

V

L

A

D

V

L

N

A

V

V

E

E

V

L

R

R

A

S

D

E

Q

A

P

A

Y

A

D

S

-

V

-

T

D

D

S

G

A

E

L

R

E

A

A

A

A

L

S

A

K

R

D

E

L

L

Q

Q

H

H

H

R

I

I

K

K

S

T

Y

M

I

V

G

G

I

V

S

S

T

S

K

G

V

V

N

T

V

V

L

L

A

A

P

A

N

G

S

G

I

I

-

P

E

A

R

T

S

A

M

T

G

G

K

K

A

A

R

R

R

R

V

V

I

I

D

D

K

R

R

R

binding 5'-o-[hydroxy(phenylacetyl)phosphoryl]adenosine: F135 (≠ Y145), F140 (= F150), T141 (= T151), G142 (= G152), G212 (= G222), A213 (= A223), E214 (= E224), P215 (= P225), D234 (= D244), I235 (= I245), Y236 (= Y246), G237 (= G247), L238 (= L248), S239 (= S249), P244 (= P254), D304 (= D314), I322 (= I332), R325 (= R335), I331 (= I341), N336 (= N346)
binding magnesium ion: S204 (≠ C214), L206 (= L216)

4r1mA Crystal structure of a putative acyl-coa ligase (bt_0428) from bacteroides thetaiotaomicron vpi-5482 at 2.48 a resolution
43% identity, 96% coverage: 17:439/442 of query aligns to 9:433/435 of 4r1mA

query
sites
4r1mA

D

E

P

E

I

I

E

E

I

I

A

M

S

S

R

R

D

E

Q

K

I

L

T

Q

A

E

L

L

Q

Q

T

L

E

Q

R

R

M

L

K

K

W

K

S

T

L

I

T

N

H

I

A

A

Y

A

N

N

N

S

V

-

E

P

H

Y

Y

Y

R

K

N

E

K

V

C

F

R

S

E

K

K

N

G

G

V

I

H

T

P

G

D

D

D

S

F

I

K

Q

E

S

L

L

K

D

D

D

L

I

A

R

K

K

F

I

P

P

F

F

T

T

T

T

K

K

S

S

D

D

L

M

R

R

D

A

T

N

Y

Y

P

P

F

F

G

G

M

L

F

V

A

A

V

G

P

D

M

M

D

K

-

R

E

D

V

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

Q

Q

N

H

D

D

I

L

D

D

M

S

W

W

A

A

N

N

V

L

M

V

A

A

R

R

S

C

I

L

R

Y

A

M

A

V

G

G

G

I

R

R

R

K

S

T

D

D

K

V

C

F

H

Q

V

N

S

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

I

I

Q

K

L

F

I

I

M

S

D

D

F

F

K

K

P

T

E

T

I

A

I

L

M

H

V

A

T

I

P

P

S

S

Y

Y

M

A

L

I

A

R

I

L

A

A

D

E

E

V

M

F

D

Q

R

E

Q

E

G

G

I

I

D

D

T

P

K

R

T

E

C

T

P

T

L

L

Q

K

V

T

G

L

I

V

F

I

G

G

A
|
A

E
|
E

P
|
P

W

H

T

T

G

D

A

E

M

Q

R

R

E

R

E

K

I

I

E

E

V

R

R

M

M

L

G

N

I

V

E

K

A

A

V

Y

D
x
N

I
x
S

Y
x
F

G
|
G

L
x
M

S
x
T

E

E

V

M

I

N

G

G

P

P

G

G

V

V

A

A

C

F

E

E

C
|
C

V

Q

E

E

T

-

K

Q

D

N

G

G

L

M

H
|
H

L

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

H

E

T

T

G

G

E

E

V

P

L

V

P

P

D

E

G

G

S

E

M

I

G

G

E

E

L

L

V

V

F

L

T

T

S

T

L

L

T

D

K

R

E

E

A

M

L

M

P

P

I

L

I

I

R

R

Y

Y

R

R

T

T

R

R

D
|
D

L

L

T

T

Q

R

L

I

L

L

P

P

G

G

-

K

-
x
C

-

P

T
x
C

A

G

R

R

S

T

M

H

R

L

R

R

M

I

G

D

K

R

I
|
I

T

K

G

G

R
|
R

S

S

D

D

D

D

M

M

L

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

L

I

I

L

L

V

K

Q

D

F

Y

P

R

E

L

L

A

G

P

S

H

N

Y

Y

Q

L

L

I

E

T

V

L

T

E

R

T

D

V

G

N

H

N

L

Q

D

D

S

E

V

M

A

I

V

V

N

E

V

V

E

E

V

L

R

S

A

D

D

L

Q

S

P

T

Y

D

D

N

D

Y

S

I

A

E

L

L

E

E

A

K

A

I

S

R

K

R

D

D

L

I

Q

I

H

R

H

Q

I

L

K

K

S

D

Y

E

I

I

G

L

I

V

S

T

T

P

K

K

V

V

N

K

V

L

L

V

A

K

P

K

N

G

S

S

I

L

E

P

R

Q

S

S

M

E

G

G

K

K

A

A

R

V

R

R

V

V

I

K

D

D

K

L

R

R

binding adenosine monophosphate: A215 (= A223), E216 (= E224), P217 (= P225), N236 (≠ D244), S237 (≠ I245), F238 (≠ Y246), G239 (= G247), M240 (≠ L248), T241 (≠ S249), D305 (= D314), I326 (= I332), R329 (= R335), I335 (= I341), N340 (= N346)
binding zinc ion: C252 (= C260), H259 (= H268), C314 (vs. gap), C316 (≠ T322)

4r1lA Crystal structure of a putative acyl-coa ligase (bt_0428) from bacteroides thetaiotaomicron vpi-5482 at 2.42 a resolution
42% identity, 96% coverage: 17:439/442 of query aligns to 9:431/433 of 4r1lA

query
sites
4r1lA

D

E

P

E

I

I

E

E

I

I

A

M

S

S

R

R

D

E

Q

K

I

L

T

Q

A

E

L

L

Q

Q

T

L

E

Q

R

R

M

L

K

K

W

K

S

T

L

I

T

N

H

I

A

A

Y

A

N

N

N

S

V

-

E

P

H

Y

Y

Y

R

K

N

E

K

V

C

F

R

S

E

K

K

N

G

G

V

I

H

T

P

G

D

D

D

S

F

I

K

Q

E

S

L

L

K

D

D

D

L

I

A

R

K

K

F

I

P

P

F

F

T

T

T

T

K

K

S

S

D

D

L

M

R

R

D

A

T

N

Y

Y

P

P

F

F

G

G

M

L

F

V

A

A

V

G

P

D

M

M

D

K

-

R

E

D

V

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

Q

Q

N

H

D

D

I

L

D

D

M

S

W

W

A

A

N

N

V

L

M

V

A

A

R

R

S

C

I

L

R

Y

A

M

A

V

G

G

G

I

R

R

R

K

S

T

D

D

K

V

C

F

H

Q

V

N

S
|
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

I

I

Q

K

L

F

I

I

M

S

D

D

F

F

K

K

P

T

E

T

I

A

I

L

M

H

V

A

T
x
I

P

P

S

S

Y
|
Y

M

A

L

I

A
x
R

I

L

A

A

D

E

E

V

M

F

D

Q

R

E

Q

E

G

G

I

I

D

D

T

P

K

R

T

E

C

T

P

T

L

L

Q

K

V

T

G

L

I

V

F

I

G

G

A
|
A

E
|
E

P
|
P

W

H

T

T

G

D

A

E

M

Q

R

R

E

R

E

K

I

I

E

E

V

R

R

M

M

L

G

N

I

V

E

K

A

A

V

Y

D
x
N

I
x
S

Y
x
F

G
|
G

L
x
M

S
x
T

E

E

V

M

I

N

G

G

P

P

G

G

V

V

A

A

C

F

E

E

C
|
C

V

Q

E

E

T

-

K

Q

D

N

G

G

L

M

H
|
H

L

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

H

E

T

T

G

G

E

E

V

P

L

V

P

P

D

E

G

G

S

E

M

I

G

G

E

E

L

L

V

V

F

L

T

T

S

T

L

L

T

D

K

R

E

E

A

M

L

M

P

P

I

L

I

I

R

R

Y

Y

R

R

T

T

R

R

D
|
D

L

L

T

T

Q

R

L

I

L

L

P

P

G

G

-

K

-
x
C

-

P

T
x
C

A

G

R

R

S

T

M

H

R

L

R

R

M

I

G

D

K

R

I
|
I

T

K

G

G

R
|
R

S

S

D

D

D

D

M

M

L

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

L

I

I

L

L

V

K

Q

D

F

Y

P

R

E

L

L

A

G

P

S

H

N

Y

Y

Q

L

L

I

E

T

V

L

T

E

R

T

D

V

G

N

H

N

L

Q

D

D

S

E

V

M

A

I

V

V

N

E

V

V

E

E

V

L

R

S

A

D

D

L

Q

S

P

T

Y

D

D

N

D

Y

S

I

A

E

L

L

E

E

A

K

A

I

S

R

K

R

D

D

L

I

Q

I

H

R

H

Q

I

L

K

K

S

D

Y

E

I

I

G

L

I
x
V

S
x
T

T

P

K

K

V

V

N

K

V

L

L

V

A

K

P

K

N

G

S

S

I

L

E

P

R

Q

S

S

M

-

G

-

K

E

A

A

R

V

R

R

V

V

I

K

D

D

K

L

R

R

binding adenosine-5'-diphosphate: A215 (= A223), E216 (= E224), P217 (= P225), N236 (≠ D244), S237 (≠ I245), F238 (≠ Y246), G239 (= G247), M240 (≠ L248), T241 (≠ S249), D305 (= D314), I326 (= I332), R329 (= R335), I335 (= I341), G338 (= G344), N340 (= N346)
binding adenosine monophosphate: A215 (= A223), E216 (= E224), P217 (= P225), N236 (≠ D244), S237 (≠ I245), F238 (≠ Y246), G239 (= G247), M240 (≠ L248), T241 (≠ S249), D305 (= D314), I326 (= I332), R329 (= R335), I335 (= I341), N340 (= N346)
binding coenzyme a: S136 (= S144), A164 (≠ G172), G165 (= G173), N166 (≠ Q174), S167 (≠ T175), I185 (≠ T193), Y188 (= Y196), R191 (≠ A199), K337 (≠ R343), V407 (≠ I413), T408 (≠ S414)
binding zinc ion: C252 (= C260), H259 (= H268), C314 (vs. gap), C316 (≠ T322)

6he0A Crystal structure of 2-hydroxyisobutyryl-coa ligase (hcl) in complex with 2-hib-amp and coa in the thioesterfication state (see paper)
31% identity, 92% coverage: 34:439/442 of query aligns to 44:464/477 of 6he0A

query
sites
6he0A

R

R

M

L

K

Q

W

Q

S

V

L

C

T

Q

H

Y

A

A

Y

W

N

E

N

H

V

A

E

P

H

F

Y

Y

R

R

N

R

K

K

C

W

R

E

E

E

K

A

G

G

V

F

H

Q

P

P

D

S

D

Q

F

L

K

K

E

S

L

L

K

E

D

D

L

F

-

E

A

A

K

R

F

V

P

P

F

V

T

V

T

K

K
|
K

S

T

D

D

L

L

R

R

D

E

T

S

Y

Q

-

A

-

A

-

H

-

P

P

P

F

F

G

G

M

D

F

Y

-

V

A

C

V

V

P

P

M

N

D

S

E

E

V

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

Q

R

N

A

D

D

I

W

D

R

M

A

W

I

A

A

N

N

V

A

M

H

A

A

R

R

S

I

I

M

R

W

A

G

A

M

G

G

G

I

R

R

R

P

S

G

D

D

K

L

C

V

H

C

V

V

S

A

Y

A

G
x
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

-
x
G

-

A

-
x
P

G
|
G

Q

M

T
x
S

E

A

K

R

Q

L

I

V

Q

Q

L

W

I

L

M

D

D

T

F

M

K

K

P

P

E

A

I

A

I

F

M
x
Y

V
x
G

T
|
T

P

P

S

S

Y
|
Y

M

A

L

I

A
x
H

I

L

A

A

D

E

E

V

M

A

D

R

R

E

Q

E

G

K

I

L

D

N

T

P

K

R

T

N

C

F

P

G

L

L

Q

K

V

C

G

L

I

F

F

F

G
x
S

A
x
G

E
|
E

P
|
P

W

G

T

A

G

S

-

V

-

P

A

G

M

V

R

K

E

D

E

R

I

I

E

E

V

E

R

A

M

Y

G

G

I

A

E

K

A

V

V

Y

D
|
D

I
x
C

Y
x
G

G
x
S

L
x
M

S
x
A

E
|
E

V

M

I

S

G

P

P
x
F

G

M

V

N

A

V

C

A

E

G

C

T

V

E

E

Q

T

S

K

N

D

D

G

G

L

M

H

L

L

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

H

A

T

N

G

M

E

R

V

R

L

V

P

P

D

Y

G

G

S

Q

M

R

G

G

E

T

L

P

V

V

F

Y

T

T

S

H

L

L

T

E

K

R

E

T

A

S

L

Q

P

P

I

M

I

I

R

R

Y

L

R

L

T

S

R

G

D
|
D

L

L

T

T

Q

L

L

W

L

T

P

N

G

D

-

E

-

N

-

P

T

C

A

G

R

R

S

T

M

Y

R

P

R

R

M

L

G

P

K

Q

-

G

I
|
I

T

F

G

G

R
|
R

S

I

D

D

D

D

M

M

L

F

I

T

I

I

R
|
R

G
|
G

V
x
E

N
|
N

V

I

F

Y

P

P

T

S

Q

E

I

I

E

D

E

A

L

A

I

L

L

N

K

Q

D

M

Y

S

R

G

L

Y

A

G

P

G

H

E

Y

H

Q

R

L

I

E

V

V

I

T

T

R

R

D

E

G

S

H

A

L
x
M

D

D

S

E

V

L

A

L

V

L

N

R

V

V

E

E

-

P

V

S

R

E

A

S

D

V

Q

H

P

A

Y

A

D

G

D

A

S

A

A

A

L

L

E

E

A

T

A

F

S

R

K

T

D

E

L

A

Q

S

H

H

H

R

I

V

K

Q

S

T

Y

V

I

L

G

G

I
x
V

S
x
R

T

A

K

K

V

V

N

E

V

L

L

V

A

A

P

P

N

N

S

S

I

I

E

A

R

R

S

T

M

-

G

D

K

K

A

A

R

R

R

R

V

V

I

I

D

D

K

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 (≠ G222), G242 (≠ A223), E243 (= E224), P244 (= P225), D265 (= D244), C266 (≠ I245), G267 (≠ Y246), S268 (≠ G247), M269 (≠ L248), A270 (≠ S249), E271 (= E250), F275 (≠ P254), D335 (= D314), I357 (= I332), R360 (= R335), N371 (= N346)
binding adenosine monophosphate: K88 (= K77), S241 (≠ G222), G242 (≠ A223), E243 (= E224), P244 (= P225), D265 (= D244), C266 (≠ I245), G267 (≠ Y246), S268 (≠ G247), M269 (≠ L248), A270 (≠ S249), E271 (= E250), D335 (= D314), I357 (= I332), R360 (= R335), N371 (= N346)
binding coenzyme a: V162 (≠ G146), Y166 (≠ F150), A188 (≠ G172), G189 (vs. gap), P191 (vs. gap), G192 (= G173), S194 (≠ T175), Y210 (≠ M191), G211 (≠ V192), T212 (= T193), Y215 (= Y196), H218 (≠ A199), S241 (≠ G222), R368 (= R343), G369 (= G344), E370 (≠ V345), M401 (≠ L376), V439 (≠ I413), R440 (≠ S414)

6hdyA Crystal structure of 2-hydroxyisobutyryl-coa ligase (hcl) in the postadenylation state in complex with s3-hb-amp (see paper)
30% identity, 92% coverage: 34:439/442 of query aligns to 44:461/474 of 6hdyA

query
sites
6hdyA

R

R

M

L

K

Q

W

Q

S

V

L

C

T

Q

H

Y

A

A

Y

W

N

E

N

H

V

A

E

P

H

F

Y

Y

R

R

N

R

K

K

C

W

R

E

E

E

K

A

G

G

V

F

H

Q

P

P

D

S

D

Q

F

L

K

K

E

S

L

L

K

E

D

D

L

F

-

E

A

A

K

R

F

V

P

P

F

V

T

V

T

K

K

K

S

T

D

D

L

L

R

R

D

E

T

S

Y

Q

-

A

-

A

-

H

-

P

P

P

F

F

G

G

M

D

F

Y

-

V

A

C

V

V

P

P

M

N

D

S

E

E

V

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

Q

R

N

A

D

D

I

W

D

R

M

A

W

I

A

A

N

N

V

A

M

H

A

A

R

R

S

I

I

M

R

W

A

G

A

M

G

G

G

I

R

R

R

P

S

G

D

D

K

L

C

V

H

C

V

V

S

A

Y

A

G

V

Y

F

G

S

L

L

F
x
Y

T
x
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

-

A

-

P

-

G

Q

M

T

S

E

A

K

R

Q

L

I

V

Q

Q

L

W

I

L

M

D

D

T

F

M

K

K

P

P

E

A

I

A

I

F

M

Y

V

G

T

T

P

P

S

S

Y

Y

M

A

L

I

A

H

I

L

A

A

D

E

E

V

M

A

D

R

R

E

Q

E

G

K

I

L

D

N

T

P

K

R

T

N

C

F

P

G

L

L

Q

K

V

C

G

L

I

F

F

F

G
x
S

A
x
G

E
|
E

P
|
P

W

G

T

A

G

S

-

V

-

P

A

G

M

V

R

K

E

D

E

R

I

I

E

E

V

E

R

A

M

Y

G

G

I

A

E

K

A

V

V

Y

D
|
D

I
x
C

Y
x
G

G
x
S

L
x
M

S
x
A

E

E

V

M

I

S

G

P

P
x
F

G

M

V

N

A

V

C

A

E

G

C

T

V

E

E

Q

T

S

K

N

D

D

G

G

L

M

H

L

L

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

H

A

T

N

G

M

E

R

V

R

L

V

P

P

D

Y

G

G

S

Q

M

R

G

G

E

T

L

P

V

V

F

Y

T

T

S

H

L

L

T

E

K

R

E

T

A

S

L

Q

P

P

I

M

I

I

R

R

Y

L

R

L

T

S

R

G

D
|
D

L

L

T

T

Q

L

L

W

L

T

P

N

G

D

-

E

-

N

-

P

T

C

A

G

R

R

S

T

M

Y

R

P

R

R

M

L

G

P

K

Q

-

G

I
|
I

T

F

G

G

R
|
R

S

I

D

D

D

D

M

M

L

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

L

A

I

L

L

N

K

Q

D

M

Y

S

R

G

L

Y

A

G

P

G

H

E

Y

H

Q

R

L

I

E

V

V

I

T

T

R

R

D

E

G

S

H

A

L

M

D

D

S

E

V

L

A

L

V

L

N

R

V

V

E

E

-

P

V

S

R

E

A

S

D

V

Q

H

P

A

Y

A

D

G

D

A

S

A

A

A

L

L

E

E

A

T

A

F

S

R

K

T

D

E

L

A

Q

S

H

H

H

R

I

V

K

Q

S

T

Y

V

I

L

G

G

I

V

S

R

T

A

K

K

V

V

N

E

V

L

L

V

A

A

P

P

N

N

S

S

I

I

E

A

R

R

S

T

M

D

G

F

K
|
K

A

A

R

R

R

R

V

V

I

I

D

D

K

D

R

R

binding (3s)-3-hydroxybutanoic acid: Y162 (≠ F150), M163 (≠ T151), G164 (= G152), S237 (≠ G222), G238 (≠ A223), G263 (≠ Y246), S264 (≠ G247), M265 (≠ L248), A266 (≠ S249), F271 (≠ P254)
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 (≠ F150), M163 (≠ T151), G164 (= G152), S237 (≠ G222), G238 (≠ A223), E239 (= E224), P240 (= P225), D261 (= D244), C262 (≠ I245), G263 (≠ Y246), S264 (≠ G247), M265 (≠ L248), A266 (≠ S249), F271 (≠ P254), D331 (= D314), I353 (= I332), R356 (= R335), K453 (= K431)

6hdxA Crystal structure of 2-hydroxyisobutyryl-coa ligase (hcl) in the postadenylation state in complex with r3-hib-amp (see paper)
30% identity, 92% coverage: 34:439/442 of query aligns to 44:461/474 of 6hdxA

query
sites
6hdxA

R

R

M

L

K

Q

W

Q

S

V

L

C

T

Q

H

Y

A

A

Y

W

N

E

N

H

V

A

E

P

H

F

Y

Y

R

R

N

R

K

K

C

W

R

E

E

E

K

A

G

G

V

F

H

Q

P

P

D

S

D

Q

F

L

K

K

E

S

L

L

K

E

D

D

L

F

-

E

A

A

K

R

F

V

P

P

F

V

T

V

T

K

K

K

S

T

D

D

L

L

R

R

D

E

T

S

Y

Q

-

A

-

A

-

H

-

P

P

P

F

F

G

G

M

D

F

Y

-

V

A

C

V

V

P

P

M

N

D

S

E

E

V

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

Q

R

N

A

D

D

I

W

D

R

M

A

W

I

A

A

N

N

V

A

M

H

A

A

R

R

S

I

I

M

R

W

A

G

A

M

G

G

G

I

R

R

R

P

S

G

D

D

K

L

C

V

H

C

V

V

S

A

Y

A

G

V

Y

F

G

S

L

L

F
x
Y

T
x
M

G
|
G

G

S

L

W

G

G

A

A

H

L

Y

A

G

G

A

A

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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 (≠ F150), M163 (≠ T151), G164 (= G152), S237 (≠ G222), G238 (≠ A223), E239 (= E224), P240 (= P225), D261 (= D244), C262 (≠ I245), G263 (≠ Y246), S264 (≠ G247), M265 (≠ L248), A266 (≠ S249), F271 (≠ P254), D331 (= D314), I353 (= I332), R356 (= R335), K453 (= K431)
binding (2r)-3-hydroxy-2-methylpropanoic acid: Y162 (≠ F150), G164 (= G152), Y206 (≠ M191), S237 (≠ G222), G238 (≠ A223), G263 (≠ Y246), S264 (≠ G247), M265 (≠ L248), A266 (≠ S249), F271 (≠ P254)

6sixB Paak family amp-ligase with anp (see paper)
27% identity, 95% coverage: 7:425/442 of query aligns to 4:405/437 of 6sixB

query
sites
6sixB

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