SitesBLAST

N7 (= N9) mutation to A: Almost abolishes catalytic activity. Requires increased magnesium levels for activity. Strongly decreases affinity for acetate.; mutation to D: Almost abolishes catalytic activity. Strongly decreases affinity for acetate.
S10 (= S12) mutation S->A,T: Strongly decreases catalytic activity. Strongly decreases affinity for acetate.
S12 (= S14) mutation to A: Decreases catalytic activity. Strongly decreases affinity for acetate. Requires increased magnesium levels for enzyme activity.; mutation to T: Decreases catalytic activity. Strongly decreases affinity for acetate.
K14 (= K16) mutation to A: Strongly decreases enzyme activity.; mutation to R: Reduces enzyme activity.
R91 (= R90) mutation R->A,L: Decreases catalytic activity. Decreases affinity for acetate.
V93 (≠ A92) mutation to A: Decreases affinity for acetate.
L122 (= L121) mutation to A: Decreases affinity for acetate.
D148 (= D147) active site, Proton donor/acceptor; mutation D->A,E,N: Abolishes catalytic activity. Decreases affinity for acetate, but not for ATP.
F179 (= F178) mutation to A: Decreases affinity for acetate.
N211 (= N210) mutation to A: Slightly reduced enzyme activity.
P232 (= P231) mutation to A: Decreases affinity for acetate.
R241 (= R240) mutation R->K,L: Decreases catalytic activity. Strongly reduced affinity for ATP.
E384 (= E381) mutation to A: Almost abolishes catalytic activity. Strongly decreases affinity for acetate. Requires strongly increased magnesium levels for enzyme activity.

1tuuB Acetate kinase crystallized with atpgs (see paper)
47% identity, 96% coverage: 4:392/404 of query aligns to 2:395/398 of 1tuuB

query
sites
1tuuB

K

K

I

V

M

L

A

V

I

I

N
|
N

A

A

G

G

S

S

L

L

K

K

F

Y

Q

Q

L

L

L

I

E

D

M

M

P

T

Q

N

G

E

E

S

T

A

L

L

C

A

Q

V

G

G

L

L

I

C

E

E

R

R

I

I

G

G

M

I

A

D

N

N

A

S

Q

I

V

I

T

T

L

Q

K

K

T

K

-

F

P

D

A

G

Q

K

K

K

W

L

Q

E

E

K

S

L

A

T

P

D

I

L

A

P

D

T

H

H

R

K

E

D

A

A

V

L

T

E

L

E

L

V

E

K

K

A

L

L

L

T

G

D

-

D

-

E

Y

F

R

G

I

V

I

I

E

K

S

D

L

M

Q

G

D

E

I

I

D

N

G

A

V

V

G

G

H

H

R
|
R

V

V

A

V

H

H

G

G

E

E

R

K

F

F

K

T

D

T

S

S

T

A

P

-

V

L

T

Y

D

D

E

E

S

G

L

V

A

E

E

K

-

A

I

I

E

K

R

D

L

C

A

F

E

E

L

L

A

A

P

P

L

L

H

H

N

N

P

P

V

P

N

N

A

M

L

M

G

G

I

I

K

S

V

A

F

C

R

A

Q

E

L

I

L

M

P

P

D

G

T

T

P

P

S

M

V

V

A

I

V

V

F

F

D

D

T

T

A

A

F

F

H

H

Q

Q

T

T

L

M

D

P

E

P

R

Y

A

A

F

Y

I

M

Y

Y

P

A

L

L

P

P

W

Y

R

D

Y

L

Y

Y

S

E

E

K

L

H

G

G

I

V

R

R

R

K

Y

Y

G

G

F

F

H
|
H

G

G

T

T

S

S

H

H

K

K

Y

Y

V

V

S

A

A

E

T

R

L

A

A

A

E

L

K

M

L

L

G

G

V

K

P

P

L

A

S

E

A

E

L

T

R

K

V

I

C

T

C

C

H

H

L

L

G

G

N

N

G
|
G

S

S

V

I

C

T

A

A

I

V

K

E

G

G

R

K

S

S

V

V

N

E

T

T

S

S

M

M

G

G

F

F

T

T

P

P

Q

L

S

E

G

G

V

L

M

A

M

M

G

G

T

T

R
|
R

S

C

G

G

D

S

I

I

D

D

P

P

S

A

I

I

L

V

P

P

W

F

L

L

A

M

L

E

H

K

E

E

G

G

Q

L

T

T

P

T

E

R

Q

E

L

I

N

D

Q

T

L

L

L

M

N

N

N

K

E

K

S

S

G

G

L

V

L

L

G

G

V

V

S

S

G

G

V

L

S

S

H

N

D
|
D

Y

F

R
|
R

D

D

V

L

E

D

Q

E

A

A

D

S

G

K

G

G

N

N

R

R

R

K

A

A

A

E

L

L

A

A

L

L

A

E

L

I

F

F

A

A

E

Y

R

K

I

V

R

K

A

K

T

F

I

I

G

G

S

E

Y

Y

I

S

M

A

Q

V

M

L

G

N

G

G

I

A

D

D

A

A

L

V

I

V

F

F

T

T

G

A

G
|
G

I
|
I

G

G

E

E

N
|
N

S
|
S

A

A

R

S

A

I

R

R

S

K

A

R

I

I

C

L

H

T

N

G

L

L

N

D

F

G

L

I

G

G

L

I

S

K

V

I

D

D

E

D

E

E

K

K

N

N

Q

K

-

I

-

R

H

G

N

Q

A

E

T

I

F

D

I

I

Q

S

A

T

E

P

H

D

A

A

L

K

V

V

K

R

V

V

A

F

V

V

I

I

N

P

T

T

N

N

E
|
E

E

E

L

L

M

A

I

I

A

A

R

R

D

E

V

T

M

K

R

E

L

I

active site: N7 (= N9), R91 (= R90), H180 (= H179), R241 (= R240), E384 (= E381)
binding adenosine monophosphate: D283 (= D282), R285 (= R284), G331 (= G330), I332 (= I331), N335 (= N334), S336 (= S335)
binding trihydrogen thiodiphosphate: H180 (= H179), G212 (= G211), R241 (= R240)

1tuuA Acetate kinase crystallized with atpgs (see paper)
47% identity, 96% coverage: 4:392/404 of query aligns to 2:395/399 of 1tuuA

query
sites
1tuuA

K

K

I

V

M

L

A

V

I

I

N
|
N

A

A

G

G

S

S

L

L

K
|
K

F

Y

Q

Q

L

L

L

I

E

D

M

M

P

T

Q

N

G

E

E

S

T

A

L

L

C

A

Q

V

G

G

L

L

I

C

E

E

R

R

I

I

G

G

M

I

A

D

N

N

A

S

Q

I

V

I

T

T

L

Q

K

K

T

K

-

F

P

D

A

G

Q

K

K

K

W

L

Q

E

E

K

S

L

A

T

P

D

I

L

A

P

D

T

H

H

R

K

E

D

A

A

V

L

T

E

L

E

L

V

E

K

K

A

L

L

L

T

G

D

-

D

-

E

Y

F

R

G

I

V

I

I

E

K

S

D

L

M

Q

G

D

E

I

I

D

N

G

A

V

V

G

G

H

H

R
|
R

V

V

A

V

H

H

G

G

E

E

R

K

F

F

K

T

D

T

S

S

T

A

P

-

V

L

T

Y

D

D

E

E

S

G

L

V

A

E

E

K

-

A

I

I

E

K

R

D

L

C

A

F

E

E

L

L

A

A

P

P

L

L

H

H

N

N

P

P

V

P

N

N

A

M

L

M

G

G

I

I

K

S

V

A

F

C

R

A

Q

E

L

I

L

M

P

P

D

G

T

T

P

P

S

M

V

V

A

I

V

V

F

F

D

D

T

T

A

A

F

F

H

H

Q

Q

T

T

L

M

D

P

E

P

R

Y

A

A

F

Y

I

M

Y

Y

P

A

L

L

P

P

W

Y

R

D

Y

L

Y

Y

S

E

E

K

L

H

G

G

I

V

R

R

R

K

Y

Y

G

G

F

F

H
|
H

G

G

T

T

S

S

H

H

K

K

Y

Y

V

V

S

A

A

E

T

R

L

A

A

A

E

L

K

M

L

L

G

G

V

K

P

P

L

A

S

E

A

E

L

T

R

K

V

I

C

T

C

C

H

H

L

L

G
|
G

N

N

G
|
G

S

S

V

I

C

T

A

A

I

V

K

E

G

G

R

K

S

S

V

V

N

E

T

T

S

S

M

M

G

G

F

F

T

T

P

P

Q

L

S

E

G

G

V

L

M

A

M

M

G

G

T

T

R
|
R

S

C

G

G

D

S

I

I

D

D

P

P

S

A

I

I

L

V

P

P

W

F

L

L

A

M

L

E

H

K

E

E

G

G

Q

L

T

T

P

T

E

R

Q

E

L

I

N

D

Q

T

L

L

L

M

N

N

N

K

E

K

S

S

G

G

L

V

L

L

G

G

V

V

S

S

G

G

V

L

S

S

H

N

D
|
D

Y
x
F

R
|
R

D

D

V

L

E

D

Q

E

A

A

D

S

G

K

G

G

N

N

R

R

R

K

A

A

A

E

L

L

A

A

L

L

A

E

L

I

F

F

A

A

E

Y

R

K

I

V

R

K

A

K

T

F

I

I

G

G

S

E

Y

Y

I

S

M

A

Q

V

M

L

G

N

G

G

I

A

D

D

A

A

L

V

I

V

F

F

T

T

G

A

G
|
G

I
|
I

G

G

E

E

N
|
N

S

S

A

A

R

S

A

I

R

R

S

K

A

R

I

I

C

L

H

T

N

G

L

L

N

D

F

G

L

I

G

G

L

I

S

K

V

I

D

D

E

D

E

E

K

K

N

N

Q

K

-

I

-

R

H

G

N

Q

A

E

T

I

F

D

I

I

Q

S

A

T

E

P

H

D

A

A

L

K

V

V

K

R

V

V

A

F

V

V

I

I

N

P

T

T

N

N

E
|
E

E

E

L

L

M

A

I

I

A

A

R

R

D

E

V

T

M

K

R

E

L

I

active site: N7 (= N9), R91 (= R90), H180 (= H179), R241 (= R240), E384 (= E381)
binding adenosine-5'-diphosphate: K14 (= K16), G210 (= G209), D283 (= D282), F284 (≠ Y283), R285 (= R284), G331 (= G330), I332 (= I331), N335 (= N334)
binding sulfate ion: R91 (= R90), H180 (= H179), G212 (= G211)

4fwsA Crystal structure of salmonella typhimurium propionate kinase (tdcd) in complex with ctp (see paper)
44% identity, 96% coverage: 5:392/404 of query aligns to 4:389/394 of 4fwsA

query
sites
4fwsA

I

V

M

L

A

V

I

I

N
|
N

A

C

G

G

S

S

L

I

K

K

F

F

Q

S

L

V

L

L

E

D

M
x
V

P

A

Q

T

G
x
C

E

D

T

V

L

L

C

M

Q

A

G

G

L

I

I

A

E

D

R

G

I

M

G

N

M

T

A

E

N

N

A

A

Q

F

V

L

T

S

L

I

K

N

T

G

P

D

A

K

Q

P

K

I

W

N

Q

L

E

A

S

H

A

S

P

N

I

Y

A

E

D

D

H

A

R

L

E

K

A

A

V

I

T

A

L

F

L

E

L

L

E

E

K

K

L

-

G

-

Y

-

R

-

I

-

E

R

S

D

L

L

Q

T

D

D

-

S

I

V

D

A

G

L

V

I

G

G

H

H

R
|
R

V

I

A

A

H

H

G

G

E

E

R

L

F

F

K

T

D

Q

S

S

T

V

P

I

V

I

T

T

D

D

E

E

S

I

L

I

A

D

E

N

I

I

E

R

R

R

L

V

A

S

E

P

L

L

A

A

P

P

L

L

H
|
H

N

N

P

Y

V

A

N

N

A

L

L

S

G

G

I

I

K

D

V

A

F

A

R

R

Q

H

L

L

L

F

P

P

D

A

T

V

P

R

S

Q

V

V

A

A

V

V

F

F

D

D

T

T

A

S

F

F

H

H

Q

Q

T

T

L

L

D

A

E

P

R

E

A

A

F

Y

I

L

Y

Y

P

G

L

L

P

P

W

W

R

E

Y

Y

Y

F

S

S

E

S

L

L

G

G

I

V

R

R

Y

Y

G

G

F

F

H
|
H

G

G

T

T

S

S

H

H

K

R

Y

Y

V

V

S

S

A

R

T

R

L

A

A

Y

E

E

K

L

L

L

G

D

V

L

P

D

L

E

S

K

A

D

L

S

R

G

V

L

V

I

C

V

C

A

H

H

L

L

G
|
G

N
|
N

G
|
G

S

A

S

S

V

I

C

C

A

A

I

V

K

R

G

N

G

G

R

Q

S

S

V

V

N

D

T

T

S

S

M

M

G

G

F

M

T

T

P

P

Q

L

S

E

G

G

V

L

M

M

G

G

T
|
T

R
|
R

S

S

G

G

D

D

I

V

D

D

P

F

S

G

I

A

L

M

P

A

W

W

L

I

A

A

L

K

H

E

E

T

G

G

Q

Q

T

T

P

L

E

S

Q

D

L

L

N

E

Q

R

L

V

N

N

N
x
K

E

E

S

S

G

G

L

L

G

G

V

I

S

S

G

G

V

L

S

S

H

S

D
|
D

Y
x
L

R
|
R

D

V

V

L

E

E

Q

K

A

A

A

W

D

H

G

E

G

G

N

H

R

E

R

R

A

A

A

R

L

L

A

A

L

I

A

K

L

T

F

F

A

V

E

H

R

R

I

I

R

A

A

R

T

H

I

I

G

A

S

G

Y

H

I

A

M

A

Q

S

M

L

G

H

G

R

I

L

D

D

A

G

L

I

I

I

F

F

T

T

G

G

G
|
G

I
|
I

G

G

E

E

N
|
N

S

S

A

V

R

L

A

I

R

R

S

Q

A

L

I

V

C

I

H

E

N

H

L

L

N

G

F

V

L

L

G

G

L

L

S

T

V

L

D

D

E

V

E

E

K

M

N

N

Q

K

-

Q

-

P

-

N

-

S

H

H

N

G

A

E

T

R

F

I

I

I

Q

S

A

A

E

N

H

P

A

S

L

Q

V

V

K

I

V

C

A

A

V

V

I

I

N

P

T

T

N

N

E
|
E

E

E

L

K

M

M

I

I

A

A

R

L

D

D

V

A

M

I

R

H

L

L

active site: N8 (= N9), R83 (= R90), H172 (= H179), R233 (= R240), E378 (= E381)
binding cytidine-5'-triphosphate: G202 (= G209), N203 (= N210), G204 (= G211), D275 (= D282), L276 (≠ Y283), R277 (= R284), G323 (= G330), I324 (= I331), N327 (= N334)
binding 1,2-ethanediol: V21 (≠ M22), C24 (≠ G25), H115 (= H122), N203 (= N210), T232 (= T239), R233 (= R240), K262 (≠ N269)

4fwrA Crystal structure of salmonella typhimurium propionate kinase (tdcd) in complex with cmp (see paper)
44% identity, 96% coverage: 5:392/404 of query aligns to 4:389/394 of 4fwrA

query
sites
4fwrA

I

V

M

L

A

V

I

I

N
|
N

A

C

G

G

S

S

L

I

K

K

F

F

Q

S

L

V

L

L

E

D

M

V

P

A

Q

T

G

C

E

D

T

V

L

L

C

M

Q

A

G

G

L

I

I

A

E

D

R

G

I

M

G

N

M

T

A

E

N

N

A

A

Q

F

V

L

T

S

L

I

K

N

T

G

P

D

A

K

Q

P

K

I

W

N

Q

L

E

A

S

H

A

S

P

N

I

Y

A

E

D

D

H

A

R

L

E

K

A

A

V

I

T

A

L

F

L

E

L

L

E

E

K

K

L

-

G

-

Y

-

R

-

I

-

E

R

S

D

L

L

Q

T

D

D

-

S

I

V

D

A

G

L

V

I

G

G

H

H

R
|
R

V

I

A

A

H

H

G

G

E

E

R

L

F

F

K

T

D

Q

S

S

T

V

P

I

V

I

T

T

D

D

E

E

S

I

L

I

A

D

E

N

I

I

E

R

R

R

L

V

A

S

E

P

L

L

A

A

P

P

L

L

H

H

N

N

P

Y

V

A

N

N

A

L

L

S

G

G

I

I

K

D

V

A

F

A

R

R

Q

H

L

L

L

F

P

P

D

A

T

V

P

R

S

Q

V

V

A

A

V

V

F

F

D

D

T

T

A

S

F

F

H

H

Q

Q

T

T

L

L

D

A

E

P

R

E

A

A

F

Y

I

L

Y

Y

P

G

L

L

P

P

W

W

R

E

Y

Y

Y

F

S

S

E

S

L

L

G

G

I

V

R

R

Y

Y

G

G

F

F

H
|
H

G

G

T

T

S

S

H

H

K

R

Y

Y

V

V

S

S

A

R

T

R

L

A

A

Y

E

E

K

L

L

L

G

D

V

L

P

D

L

E

S

K

A

D

L

S

R

G

V

L

V

I

C

V

C

A

H

H

L

L

G
|
G

N
|
N

G

G

S

A

S

S

V

I

C

C

A

A

I

V

K

R

G

N

G

G

R

Q

S

S

V

V

N

D

T

T

S

S

M

M

G

G

F

M

T

T

P

P

Q

L

S

E

G

G

V

L

M

M

G

G

T

T

R
|
R

S

S

G

G

D

D

I

V

D

D

P

F

S

G

I

A

L

M

P

A

W

W

L

I

A

A

L

K

H

E

E

T

G

G

Q

Q

T

T

P

L

E

S

Q

D

L

L

N

E

Q

R

L

V

N

N

N

K

E

E

S

S

G

G

L

L

G

G

V

I

S

S

G

G

V

L

S

S

H

S

D
|
D

Y
x
L

R
|
R

D

V

V

L

E

E

Q

K

A

A

A

W

D

H

G

E

G

G

N

H

R

E

R

R

A

A

A

R

L

L

A

A

L

I

A

K

L

T

F

F

A

V

E

H

R

R

I

I

R

A

A

R

T

H

I

I

G

A

S

G

Y

H

I

A

M

A

Q

S

M

L

G

H

G

R

I

L

D

D

A

G

L

I

I

I

F

F

T

T

G

G

G
|
G

I
|
I

G

G

E

E

N
|
N

S

S

A

V

R

L

A

I

R

R

S

Q

A

L

I

V

C

I

H

E

N

H

L

L

N

G

F

V

L

L

G

G

L

L

S

T

V

L

D

D

E

V

E

E

K

M

N

N

Q

K

-

Q

-

P

-

N

-

S

H

H

N

G

A

E

T

R

F

I

I

I

Q

S

A

A

E

N

H

P

A

S

L

Q

V

V

K

I

V

C

A

A

V

V

I

I

N

P

T

T

N

N

E
|
E

E

E

L

K

M

M

I

I

A

A

R

L

D

D

V

A

M

I

R

H

L

L

active site: N8 (= N9), R83 (= R90), H172 (= H179), R233 (= R240), E378 (= E381)
binding cytidine-5'-monophosphate: G202 (= G209), N203 (= N210), D275 (= D282), L276 (≠ Y283), R277 (= R284), G323 (= G330), I324 (= I331), N327 (= N334)

4fwqA Crystal structure of salmonella typhimurium propionate kinase (tdcd) in complex with gtp (see paper)
44% identity, 96% coverage: 5:392/404 of query aligns to 4:389/394 of 4fwqA

query
sites
4fwqA

I

V

M

L

A

V

I

I

N
|
N

A

C

G

G

S

S

L

I

K

K

F

F

Q

S

L

V

L

L

E

D

M

V

P

A

Q

T

G

C

E

D

T

V

L

L

C

M

Q

A

G

G

L

I

I

A

E

D

R

G

I

M

G

N

M

T

A

E

N

N

A

A

Q

F

V

L

T

S

L

I

K

N

T

G

P

D

A

K

Q

P

K

I

W

N

Q

L

E

A

S

H

A

S

P

N

I

Y

A

E

D

D

H

A

R

L

E

K

A

A

V

I

T

A

L

F

L

E

L

L

E

E

K

K

L

-

G

-

Y

-

R

-

I

-

E

R

S

D

L

L

Q

T

D

D

-

S

I

V

D

A

G

L

V

I

G

G

H

H

R
|
R

V

I

A

A

H

H

G

G

E

E

R

L

F

F

K

T

D

Q

S

S

T

V

P

I

V

I

T

T

D

D

E

E

S

I

L

I

A

D

E

N

I

I

E

R

R

R

L

V

A

S

E

P

L

L

A

A

P

P

L

L

H

H

N

N

P

Y

V

A

N

N

A

L

L

S

G

G

I

I

K

D

V

A

F

A

R

R

Q

H

L

L

L

F

P

P

D

A

T

V

P

R

S

Q

V

V

A

A

V

V

F

F

D

D

T

T

A

S

F

F

H

H

Q

Q

T

T

L

L

D

A

E

P

R

E

A

A

F

Y

I

L

Y

Y

P

G

L

L

P

P

W

W

R

E

Y

Y

Y

F

S

S

E

S

L

L

G

G

I

V

R

R

Y

Y

G

G

F

F

H
|
H

G

G

T

T

S

S

H

H

K

R

Y

Y

V

V

S

S

A

R

T

R

L

A

A

Y

E

E

K

L

L

L

G

D

V

L

P

D

L

E

S

K

A

D

L

S

R

G

V

L

V

I

C

V

C

A

H

H

L

L

G

G

N
|
N

G
|
G

S

A

S

S

V

I

C

C

A

A

I

V

K

R

G

N

G

G

R

Q

S

S

V

V

N

D

T

T

S

S

M

M

G

G

F

M

T

T

P

P

Q

L

S

E

G

G

V

L

M

M

G

G

T

T

R
|
R

S

S

G

G

D

D

I

V

D

D

P

F

S

G

I

A

L

M

P

A

W

W

L

I

A

A

L

K

H

E

E

T

G

G

Q

Q

T

T

P

L

E

S

Q

D

L

L

N

E

Q

R

L

V

N

N

N

K

E

E

S

S

G

G

L

L

G

G

V

I

S

S

G

G

V

L

S

S

H

S

D
|
D

Y
x
L

R
|
R

D

V

V

L

E
|
E

Q

K

A

A

A

W

D

H

G

E

G

G

N

H

R

E

R

R

A

A

A

R

L

L

A

A

L

I

A

K

L

T

F

F

A

V

E

H

R

R

I

I

R

A

A

R

T

H

I

I

G

A

S

G

Y

H

I

A

M

A

Q

S

M

L

G

H

G

R

I

L

D

D

A

G

L

I

I

I

F

F

T

T

G

G

G
|
G

I
|
I

G

G

E

E

N
|
N

S

S

A

V

R

L

A

I

R

R

S

Q

A

L

I

V

C

I

H

E

N

H

L

L

N

G

F

V

L

L

G

G

L

L

S

T

V

L

D

D

E

V

E

E

K

M

N

N

Q

K

-

Q

-

P

-

N

-

S

H

H

N

G

A

E

T

R

F

I

I

I

Q

S

A

A

E

N

H

P

A

S

L

Q

V

V

K

I

V

C

A

A

V

V

I

I

N

P

T

T

N

N

E
|
E

E

E

L

K

M

M

I

I

A

A

R

L

D

D

V

A

M

I

R

H

L

L

active site: N8 (= N9), R83 (= R90), H172 (= H179), R233 (= R240), E378 (= E381)
binding guanosine-5'-triphosphate: H172 (= H179), N203 (= N210), G204 (= G211), D275 (= D282), L276 (≠ Y283), R277 (= R284), E280 (= E287), G323 (= G330), I324 (= I331), N327 (= N334)

4fwpA Crystal structure of salmonella typhimurium propionate kinase (tdcd) in complex with gdp (see paper)
44% identity, 96% coverage: 5:392/404 of query aligns to 4:389/394 of 4fwpA

query
sites
4fwpA

I

V

M

L

A

V

I

I

N
|
N

A

C

G

G

S
|
S

S

S

L

I

K

K

F

F

Q

S

L

V

L

L

E

D

M

V

P

A

Q

T

G

C

E

D

T

V

L

L

C

M

Q

A

G

G

L

I

I

A

E

D

R

G

I

M

G

N

M

T

A

E

N

N

A

A

Q

F

V

L

T

S

L

I

K

N

T

G

P

D

A

K

Q

P

K

I

W

N

Q

L

E

A

S

H

A

S

P

N

I

Y

A

E

D

D

H

A

R

L

E

K

A

A

V

I

T

A

L

F

L

E

L

L

E

E

K

K

L

-

G

-

Y

-

R

-

I

-

E

R

S

D

L

L

Q

T

D

D

-

S

I

V

D

A

G

L

V

I

G

G

H

H

R
|
R

V

I

A

A

H

H

G

G

E

E

R

L

F

F

K

T

D

Q

S

S

T

V

P

I

V

I

T

T

D

D

E

E

S

I

L

I

A

D

E

N

I

I

E

R

R

R

L

V

A

S

E

P

L

L

A

A

P

P

L

L

H
|
H

N

N

P

Y

V

A

N

N

A

L

L

S

G

G

I

I

K

D

V

A

F

A

R

R

Q

H

L

L

L

F

P

P

D

A

T

V

P

R

S

Q

V

V

A

A

V

V

F

F

D

D

T

T

A

S

F

F

H

H

Q

Q

T

T

L

L

D

A

E

P

R

E

A

A

F

Y

I

L

Y

Y

P

G

L

L

P

P

W

W

R

E

Y

Y

Y

F

S

S

E

S

L

L

G

G

I

V

R

R

Y

Y

G

G

F

F

H
|
H

G

G

T

T

S

S

H

H

K

R

Y

Y

V

V

S

S

A

R

T

R

L

A

A

Y

E

E

K

L

L

L

G

D

V

L

P

D

L

E

S

K

A

D

L

S

R

G

V

L

V

I

C

V

C

A

H

H

L

L

G

G

N
|
N

G

G

S

A

S

S

V

I

C

C

A

A

I

V

K

R

G

N

G

G

R

Q

S

S

V

V

N

D

T

T

S

S

M

M

G

G

F

M

T

T

P

P

Q

L

S

E

G

G

V

L

M

M

G

G

T

T

R
|
R

S

S

G

G

D

D

I

V

D

D

P

F

S

G

I

A

L

M

P

A

W

W

L

I

A

A

L

K

H

E

E

T

G

G

Q

Q

T

T

P

L

E

S

Q

D

L

L

N

E

Q

R

L

V

N

N

N
x
K

E

E

S

S

G

G

L

L

G

G

V

I

S

S

G

G

V

L

S

S

H

S

D
|
D

Y
x
L

R
|
R

D

V

V

L

E
|
E

Q

K

A

A

A

W

D

H

G

E

G

G

N

H

R

E

R

R

A

A

A

R

L

L

A

A

L

I

A

K

L

T

F

F

A

V

E

H

R

R

I

I

R

A

A

R

T

H

I

I

G

A

S

G

Y

H

I

A

M

A

Q

S

M

L

G

H

G

R

I

L

D

D

A

G

L

I

I

I

F

F

T

T

G

G

G
|
G

I
|
I

G

G

E

E

N
|
N

S
|
S

A

V

R

L

A

I

R

R

S

Q

A

L

I

V

C

I

H

E

N

H

L

L

N

G

F

V

L

L

G

G

L

L

S

T

V

L

D

D

E

V

E

E

K

M

N

N

Q

K

-

Q

-

P

-

N

-

S

H

H

N

G

A

E

T

R

F

I

I

I

Q

S

A

A

E

N

H

P

A

S

L

Q

V

V

K

I

V

C

A

A

V

V

I

I

N

P

T

T

N

N

E
|
E

E

E

L

K

M

M

I

I

A

A

R

L

D

D

V

A

M

I

R

H

L

L

active site: N8 (= N9), R83 (= R90), H172 (= H179), R233 (= R240), E378 (= E381)
binding 1,2-ethanediol: S11 (= S12), H115 (= H122), K262 (≠ N269)
binding guanosine-5'-diphosphate: N203 (= N210), D275 (= D282), L276 (≠ Y283), R277 (= R284), E280 (= E287), G323 (= G330), I324 (= I331), N327 (= N334), S328 (= S335)

4fwoA Crystal structure of salmonella typhimurium propionate kinase (tdcd) in complex with gmp (see paper)
44% identity, 96% coverage: 5:392/404 of query aligns to 4:389/394 of 4fwoA

query
sites
4fwoA

I

V

M

L

A

V

I

I

N
|
N

A

C

G

G

S

S

L

I

K

K

F

F

Q

S

L

V

L

L

E

D

M

V

P

A

Q

T

G

C

E

D

T

V

L

L

C

M

Q

A

G

G

L

I

I

A

E

D

R

G

I

M

G

N

M

T

A

E

N

N

A

A

Q

F

V

L

T

S

L

I

K

N

T

G

P

D

A

K

Q

P

K

I

W

N

Q

L

E

A

S

H

A

S

P

N

I

Y

A

E

D

D

H

A

R

L

E

K

A

A

V

I

T

A

L

F

L

E

L

L

E

E

K

K

L

-

G

-

Y

-

R

-

I

-

E

R

S

D

L

L

Q

T

D

D

-

S

I

V

D

A

G

L

V

I

G

G

H

H

R
|
R

V

I

A

A

H

H

G

G

E

E

R

L

F

F

K

T

D

Q

S

S

T

V

P

I

V

I

T

T

D

D

E
|
E

S

I

L

I

A

D

E
x
N

I

I

E

R

R

R

L

V

A

S

E

P

L

L

A

A

P

P

L

L

H

H

N

N

P

Y

V

A

N

N

A

L

L

S

G

G

I

I

K

D

V

A

F

A

R

R

Q

H

L

L

L

F

P

P

D

A

T

V

P

R

S

Q

V

V

A

A

V

V

F

F

D

D

T

T

A

S

F

F

H

H

Q

Q

T

T

L

L

D

A

E

P

R

E

A

A

F

Y

I

L

Y

Y

P

G

L

L

P

P

W

W

R

E

Y

Y

Y

F

S

S

E

S

L

L

G

G

I

V

R

R

Y

Y

G

G

F

F

H
|
H

G

G

T

T

S

S

H

H

K

R

Y

Y

V

V

S

S

A

R

T

R

L

A

A

Y

E

E

K

L

L

L

G

D

V

L

P

D

L

E

S

K

A

D

L

S

R

G

V

L

V

I

C

V

C

A

H

H

L

L

G
|
G

N
|
N

G

G

S

A

S

S

V

I

C

C

A

A

I

V

K

R

G

N

G

G

R

Q

S

S

V

V

N

D

T

T

S

S

M

M

G

G

F

M

T

T

P

P

Q

L

S

E

G

G

V

L

M

M

G

G

T

T

R
|
R

S

S

G

G

D

D

I

V

D

D

P

F

S

G

I

A

L

M

P

A

W

W

L

I

A

A

L

K

H

E

E

T

G

G

Q

Q

T

T

P

L

E

S

Q

D

L

L

N

E

Q

R

L

V

N

N

N

K

E

E

S

S

G

G

L

L

G

G

V

I

S

S

G

G

V

L

S

S

H

S

D
|
D

Y
x
L

R
|
R

D

V

V

L

E
|
E

Q

K

A

A

A

W

D

H

G

E

G

G

N

H

R

E

R

R

A

A

A

R

L

L

A

A

L

I

A

K

L

T

F

F

A

V

E

H

R

R

I

I

R

A

A

R

T

H

I

I

G

A

S

G

Y

H

I

A

M

A

Q

S

M

L

G

H

G

R

I

L

D

D

A

G

L

I

I

I

F

F

T

T

G

G

G
|
G

I
|
I

G

G

E

E

N
|
N

S

S

A

V

R

L

A

I

R

R

S

Q

A

L

I

V

C

I

H

E

N

H

L

L

N

G

F

V

L

L

G

G

L

L

S

T

V

L

D

D

E

V

E

E

K

M

N

N

Q

K

-

Q

-

P

-

N

-

S

H

H

N

G

A

E

T

R

F

I

I

I

Q

S

A

A

E

N

H

P

A

S

L

Q

V

V

K

I

V

C

A

A

V

V

I

I

N

P

T

T

N

N

E
|
E

E

E

L

K

M

M

I

I

A

A

R

L

D

D

V

A

M

I

R

H

L

L

active site: N8 (= N9), R83 (= R90), H172 (= H179), R233 (= R240), E378 (= E381)
binding guanosine-5'-monophosphate: G202 (= G209), N203 (= N210), D275 (= D282), L276 (≠ Y283), R277 (= R284), E280 (= E287), G323 (= G330), I324 (= I331), N327 (= N334)
binding 1,2-ethanediol: E100 (= E107), N104 (≠ E111)

4fwnA Crystal structure of salmonella typhimurium propionate kinase (tdcd) in complex with adenosine tetraphosphate (ap4) (see paper)
44% identity, 96% coverage: 5:392/404 of query aligns to 4:389/394 of 4fwnA

query
sites
4fwnA

I

V

M

L

A

V

I

I

N
|
N

A

C

G

G

S

S

L

I

K

K

F

F

Q

S

L

V

L

L

E

D

M

V

P

A

Q

T

G

C

E

D

T

V

L

L

C

M

Q

A

G

G

L

I

I

A

E

D

R

G

I

M

G

N

M

T

A

E

N

N

A

A

Q

F

V

L

T

S

L

I

K

N

T

G

P

D

A

K

Q

P

K

I

W

N

Q

L

E

A

S

H

A

S

P

N

I

Y

A

E

D

D

H

A

R

L

E

K

A

A

V

I

T

A

L

F

L

E

L

L

E

E

K

K

L

-

G

-

Y

-

R

-

I

-

E

R

S

D

L

L

Q

T

D

D

-

S

I

V

D

A

G

L

V

I

G

G

H

H

R
|
R

V

I

A

A

H

H

G

G

E

E

R

L

F

F

K

T

D

Q

S

S

T

V

P

I

V

I

T

T

D

D

E

E

S

I

L

I

A

D

E

N

I

I

E

R

R

R

L

V

A

S

E

P

L

L

A

A

P

P

L

L

H

H

N

N

P

Y

V

A

N

N

A

L

L

S

G

G

I

I

K

D

V

A

F

A

R

R

Q

H

L

L

L

F

P

P

D

A

T

V

P

R

S

Q

V

V

A

A

V

V

F

F

D

D

T

T

A

S

F

F

H

H

Q

Q

T

T

L

L

D

A

E

P

R

E

A

A

F

Y

I

L

Y

Y

P

G

L

L

P

P

W

W

R

E

Y

Y

Y

F

S

S

E

S

L

L

G

G

I

V

R

R

Y

Y

G

G

F

F

H
|
H

G

G

T

T

S

S

H

H

K

R

Y

Y

V

V

S

S

A

R

T

R

L

A

A

Y

E

E

K

L

L

L

G

D

V

L

P

D

L

E

S

K

A

D

L

S

R

G

V

L

V

I

C

V

C

A

H
|
H

L

L

G

G

N
|
N

G
|
G

S

A

S

S

V

I

C

C

A

A

I

V

K

R

G

N

G

G

R

Q

S

S

V

V

N

D

T

T

S

S

M

M

G

G

F

M

T

T

P

P

Q

L

S

E

G

G

V

L

M

M

G

G

T

T

R
|
R

S

S

G

G

D

D

I

V

D

D

P

F

S

G

I

A

L

M

P

A

W

W

L

I

A

A

L

K

H

E

E

T

G

G

Q

Q

T

T

P

L

E

S

Q

D

L

L

N

E

Q

R

L

V

N

N

N

K

E

E

S

S

G

G

L

L

G

G

V

I

S

S

G

G

V

L

S

S

H

S

D
|
D

Y
x
L

R
|
R

D

V

V

L

E

E

Q

K

A

A

A

W

D

H

G

E

G

G

N

H

R

E

R

R

A

A

A

R

L

L

A

A

L

I

A

K

L

T

F

F

A

V

E

H

R

R

I

I

R

A

A

R

T

H

I

I

G

A

S

G

Y

H

I

A

M

A

Q

S

M

L

G

H

G

R

I

L

D

D

A

G

L

I

I

I

F

F

T

T

G

G

G
|
G

I
|
I

G

G

E

E

N
|
N

S

S

A

V

R

L

A

I

R

R

S

Q

A

L

I

V

C

I

H

E

N

H

L

L

N

G

F

V

L

L

G

G

L

L

S

T

V

L

D

D

E

V

E

E

K

M

N

N

Q

K

-

Q

-

P

-

N

-

S

H

H

N

G

A

E

T

R

F

I

I

I

Q

S

A

A

E

N

H

P

A

S

L

Q

V

V

K

I

V

C

A

A

V

V

I

I

N

P

T

T

N

N

E
|
E

E

E

L

K

M

M

I

I

A

A

R

L

D

D

V

A

M

I

R

H

L

L

active site: N8 (= N9), R83 (= R90), H172 (= H179), R233 (= R240), E378 (= E381)
binding adenosine-5'-tetraphosphate: H172 (= H179), H200 (= H207), N203 (= N210), G204 (= G211), D275 (= D282), L276 (≠ Y283), R277 (= R284), G323 (= G330), I324 (= I331), N327 (= N334)

4fwmA Crystal structure of salmonella typhimurium propionate kinase (tdcd) in complex with atp (see paper)
44% identity, 96% coverage: 5:392/404 of query aligns to 4:389/394 of 4fwmA

query
sites
4fwmA

I

V

M

L

A

V

I

I

N
|
N

A

C

G

G

S

S

L

I

K

K

F

F

Q

S

L

V

L

L

E

D

M

V

P

A

Q

T

G

C

E

D

T

V

L

L

C

M

Q

A

G

G

L

I

I

A

E

D

R

G

I

M

G

N

M

T

A

E

N

N

A

A

Q

F

V

L

T

S

L

I

K

N

T

G

P

D

A

K

Q

P

K

I

W

N

Q

L

E

A

S

H

A

S

P

N

I

Y

A

E

D

D

H

A

R

L

E

K

A

A

V

I

T

A

L

F

L

E

L

L

E

E

K

K

L

-

G

-

Y

-

R

-

I

-

E

R

S

D

L

L

Q

T

D

D

-

S

I

V

D

A

G

L

V

I

G

G

H

H

R
|
R

V

I

A

A

H

H

G

G

E

E

R

L

F

F

K

T

D

Q

S

S

T

V

P

I

V

I

T

T

D

D

E

E

S

I

L

I

A

D

E

N

I

I

E

R

R

R

L

V

A

S

E

P

L

L

A

A

P

P

L

L

H

H

N

N

P

Y

V

A

N

N

A

L

L

S

G

G

I

I

K

D

V

A

F

A

R

R

Q

H

L

L

L

F

P

P

D

A

T

V

P

R

S

Q

V

V

A

A

V

V

F

F

D

D

T

T

A

S

F

F

H

H

Q

Q

T

T

L

L

D

A

E

P

R

E

A

A

F

Y

I

L

Y

Y

P

G

L

L

P

P

W

W

R

E

Y

Y

Y

F

S

S

E

S

L

L

G

G

I

V

R

R

Y

Y

G

G

F

F

H
|
H

G

G

T

T

S

S

H

H

K

R

Y

Y

V

V

S

S

A

R

T

R

L

A

A

Y

E

E

K

L

L

L

G

D

V

L

P

D

L

E

S

K

A

D

L

S

R

G

V

L

V

I

C

V

C

A

H
|
H

L

L

G

G

N
|
N

G
|
G

S

A

S

S

V

I

C

C

A

A

I

V

K

R

G

N

G

G

R

Q

S

S

V

V

N

D

T

T

S

S

M

M

G

G

F

M

T

T

P

P

Q

L

S

E

G

G

V

L

M

M

G

G

T

T

R
|
R

S

S

G

G

D

D

I

V

D

D

P

F

S

G

I

A

L

M

P

A

W

W

L

I

A

A

L

K

H

E

E

T

G

G

Q

Q

T

T

P

L

E

S

Q

D

L

L

N

E

Q

R

L

V

N

N

N

K

E

E

S

S

G

G

L

L

G

G

V

I

S

S

G

G

V

L

S

S

H

S

D
|
D

Y
x
L

R
|
R

D

V

V

L

E

E

Q

K

A

A

A

W

D

H

G

E

G

G

N

H

R

E

R

R

A

A

A

R

L

L

A

A

L

I

A

K

L

T

F

F

A

V

E

H

R

R

I

I

R

A

A

R

T

H

I

I

G

A

S

G

Y

H

I

A

M

A

Q

S

M

L

G

H

G

R

I

L

D

D

A

G

L

I

I

I

F

F

T

T

G

G

G
|
G

I
|
I

G

G

E

E

N
|
N

S

S

A

V

R

L

A

I

R

R

S

Q

A

L

I

V

C

I

H

E

N

H

L

L

N

G

F

V

L

L

G

G

L

L

S

T

V

L

D

D

E

V

E

E

K

M

N

N

Q

K

-

Q

-

P

-

N

-

S

H

H

N

G

A

E

T

R

F

I

I

I

Q

S

A

A

E

N

H

P

A

S

L

Q

V

V

K

I

V

C

A

A

V

V

I

I

N

P

T

T

N

N

E
|
E

E

E

L

K

M

M

I

I

A

A

R

L

D

D

V

A

M

I

R

H

L

L

active site: N8 (= N9), R83 (= R90), H172 (= H179), R233 (= R240), E378 (= E381)
binding adenosine-5'-triphosphate: H172 (= H179), H200 (= H207), N203 (= N210), G204 (= G211), D275 (= D282), L276 (≠ Y283), R277 (= R284), G323 (= G330), I324 (= I331), N327 (= N334)
binding 1,2-ethanediol: H172 (= H179), R233 (= R240)

4fwkA Crystal structure of salmonella typhimurium propionate kinase (tdcd) in complex with amp (see paper)
44% identity, 96% coverage: 5:392/404 of query aligns to 4:389/394 of 4fwkA

query
sites
4fwkA

I

V

M

L

A

V

I

I

N
|
N

A

C

G

G

S

S

L

I

K

K

F

F

Q

S

L

V

L

L

E

D

M

V

P

A

Q

T

G

C

E

D

T

V

L

L

C

M

Q

A

G

G

L

I

I

A

E

D

R

G

I

M

G

N

M

T

A

E

N

N

A

A

Q

F

V

L

T

S

L

I

K

N

T

G

P

D

A

K

Q

P

K

I

W

N

Q

L

E

A

S

H

A

S

P

N

I

Y

A

E

D

D

H

A

R

L

E

K

A

A

V

I

T

A

L

F

L

E

L

L

E

E

K

K

L

-

G

-

Y

-

R

-

I

-

E

R

S

D

L

L

Q

T

D

D

-

S

I

V

D

A

G

L

V

I

G

G

H

H

R
|
R

V

I

A

A

H

H

G

G

E

E

R

L

F

F

K

T

D

Q

S

S

T

V

P

I

V

I

T

T

D

D

E

E

S

I

L

I

A
x
D

E
x
N

I

I

E

R

R
|
R

L

V

A

S

E

P

L

L

A

A

P

P

L

L

H

H

N

N

P

Y

V

A

N

N

A

L

L

S

G

G

I

I

K

D

V

A

F

A

R

R

Q

H

L

L

L

F

P

P

D

A

T

V

P

R

S

Q

V

V

A

A

V

V

F

F

D

D

T

T

A

S

F

F

H

H

Q

Q

T

T

L

L

D

A

E

P

R

E

A

A

F

Y

I

L

Y

Y

P

G

L

L

P

P

W

W

R

E

Y

Y

Y

F

S

S

E

S

L

L

G

G

I

V

R

R

Y

Y

G

G

F

F

H
|
H

G

G

T

T

S

S

H

H

K

R

Y

Y

V

V

S

S

A

R

T

R

L

A

A

Y

E

E

K

L

L

L

G

D

V

L

P

D

L

E

S

K

A

D

L

S

R

G

V

L

V

I

C

V

C

A

H

H

L

L

G
|
G

N
|
N

G

G

S

A

S

S

V

I

C

C

A

A

I

V

K

R

G

N

G

G

R

Q

S

S

V

V

N

D

T

T

S

S

M

M

G

G

F

M

T

T

P

P

Q

L

S

E

G

G

V

L

M

M

G

G

T

T

R
|
R

S

S

G

G

D

D

I

V

D

D

P

F

S

G

I

A

L

M

P

A

W

W

L

I

A

A

L

K

H

E

E

T

G

G

Q

Q

T

T

P

L

E

S

Q

D

L

L

N

E

Q

R

L

V

N

N

N

K

E

E

S

S

G

G

L

L

G

G

V

I

S

S

G

G

V

L

S

S

H

S

D
|
D

Y
x
L

R
|
R

D

V

V

L

E

E

Q

K

A

A

A

W

D

H

G

E

G

G

N

H

R

E

R

R

A

A

A

R

L

L

A

A

L

I

A

K

L

T

F

F

A

V

E

H

R

R

I

I

R

A

A

R

T

H

I

I

G

A

S

G

Y

H

I

A

M

A

Q

S

M

L

G

H

G

R

I

L

D

D

A

G

L

I

I

I

F

F

T

T

G

G

G
|
G

I
|
I

G

G

E

E

N
|
N

S

S

A

V

R

L

A

I

R

R

S

Q

A

L

I

V

C

I

H

E

N

H

L

L

N

G

F

V

L

L

G

G

L

L

S

T

V

L

D

D

E

V

E

E

K

M

N

N

Q

K

-

Q

-

P

-

N

-

S

H

H

N

G

A

E

T

R

F

I

I

I

Q

S

A

A

E

N

H

P

A

S

L

Q

V

V

K

I

V

C

A

A

V

V

I

I

N

P

T

T

N

N

E
|
E

E

E

L

K

M

M

I

I

A

A

R

L

D

D

V

A

M

I

R

H

L

L

active site: N8 (= N9), R83 (= R90), H172 (= H179), R233 (= R240), E378 (= E381)
binding adenosine monophosphate: G202 (= G209), N203 (= N210), D275 (= D282), L276 (≠ Y283), R277 (= R284), G323 (= G330), I324 (= I331), N327 (= N334)
binding 1,2-ethanediol: D103 (≠ A110), N104 (≠ E111), R107 (= R114)

2e1zA Crystal structure of salmonella typhimurium propionate kinase (tdcd) in complex with diadenosine tetraphosphate (ap4a) obtained after co- crystallization with atp (see paper)
44% identity, 96% coverage: 5:392/404 of query aligns to 4:389/394 of 2e1zA

query
sites
2e1zA

I

V

M

L

A

V

I

I

N
|
N

A

C

G

G

S

S

L

I

K

K

F

F

Q

S

L

V

L

L

E

D

M

V

P

A

Q

T

G

C

E

D

T

V

L

L

C

M

Q

A

G

G

L

I

I

A

E

D

R

G

I

M

G

N

M

T

A

E

N

N

A

A

Q

F

V

L

T

S

L

I

K

N

T

G

P

D

A

K

Q

P

K

I

W

N

Q

L

E

A

S

H

A

S

P

N

I

Y

A

E

D

D

H

A

R

L

E

K

A

A

V

I

T

A

L

F

L

E

L

L

E

E

K

K

L

-

G

-

Y

-

R

-

I

-

E

R

S

D

L

L

Q

T

D

D

-

S

I

V

D

A

G

L

V

I

G

G

H

H

R
|
R

V

I

A

A

H

H

G

G

E

E

R

L

F

F

K

T

D

Q

S

S

T

V

P

I

V

I

T

T

D

D

E

E

S

I

L

I

A

D

E

N

I

I

E

R

R

R

L

V

A

S

E

P

L

L

A

A

P

P

L

L

H
|
H

N

N

P

Y

V

A

N

N

A

L

L

S

G

G

I

I

K

D

V

A

F

A

R

R

Q

H

L

L

L

F

P

P

D

A

T

V

P

R

S

Q

V

V

A

A

V

V

F

F

D

D

T

T

A

S

F

F

H

H

Q

Q

T

T

L

L

D

A

E

P

R

E

A

A

F

Y

I

L

Y

Y

P

G

L

L

P

P

W

W

R

E

Y

Y

Y

F

S

S

E

S

L

L

G

G

I

V

R

R

Y

Y

G

G

F

F

H
|
H

G

G

T

T

S

S

H

H

K

R

Y

Y

V

V

S

S

A

R

T

R

L

A

A

Y

E

E

K

L

L

L

G

D

V

L

P

D

L

E

S

K

A

D

L

S

R

G

V

L

V

I

C

V

C

A

H

H

L

L

G
|
G

N
|
N

G
|
G

S

A

S

S

V

I

C

C

A

A

I

V

K

R

G

N

G

G

R

Q

S

S

V

V

N

D

T

T

S

S

M

M

G

G

F

M

T

T

P
|
P

Q

L

S

E

G

G

V

L

M

M

G

G

T

T

R
|
R

S

S

G

G

D

D

I

V

D

D

P

F

S

G

I

A

L

M

P

A

W

W

L

I

A

A

L

K

H

E

E

T

G

G

Q

Q

T

T

P

L

E

S

Q

D

L

L

N

E

Q

R

L

V

N

N

N

K

E

E

S

S

G

G

L

L

G

G

V

I

S

S

G

G

V

L

S

S

H

S

D
|
D

Y
x
L

R
|
R

D

V

V

L

E

E

Q

K

A

A

A

W

D

H

G

E

G

G

N

H

R

E

R

R

A

A

A

R

L

L

A

A

L

I

A

K

L

T

F

F

A

V

E

H

R

R

I

I

R

A

A

R

T

H

I

I

G

A

S

G

Y

H

I

A

M

A

Q

S

M

L

G

H

G

R

I

L

D

D

A

G

L

I

I

I

F

F

T

T

G

G

G
|
G

I
|
I

G

G

E

E

N
|
N

S

S

A

V

R

L

A

I

R

R

S

Q

A

L

I

V

C

I

H

E

N

H

L

L

N

G

F

V

L

L

G

G

L

L

S

T

V

L

D

D

E

V

E

E

K

M

N

N

Q

K

-

Q

-

P

-

N

-

S

H

H

N

G

A

E

T

R

F

I

I

I

Q

S

A

A

E

N

H

P

A

S

L

Q

V

V

K

I

V

C

A

A

V

V

I

I

N

P

T

T

N

N

E
|
E

E

E

L

K

M

M

I

I

A

A

R

L

D

D

V

A

M

I

R

H

L

L

active site: N8 (= N9), R83 (= R90), H172 (= H179), R233 (= R240), E378 (= E381)
binding bis(adenosine)-5'-tetraphosphate: N8 (= N9), R83 (= R90), H115 (= H122), G202 (= G209), N203 (= N210), G204 (= G211), P224 (= P231), R233 (= R240), D275 (= D282), L276 (≠ Y283), R277 (= R284), G323 (= G330), I324 (= I331), N327 (= N334)

1x3nA Crystal structure of amppnp bound propionate kinase (tdcd) from salmonella typhimurium (see paper)
44% identity, 96% coverage: 5:392/404 of query aligns to 4:389/394 of 1x3nA

query
sites
1x3nA

I

V

M

L

A

V

I

I

N
|
N

A

C

G

G

S

S

L

I

K

K

F

F

Q

S

L

V

L

L

E

D

M

V

P

A

Q

T

G

C

E

D

T

V

L

L

C

M

Q

A

G

G

L

I

I

A

E

D

R

G

I

M

G

N

M

T

A

E

N

N

A

A

Q

F

V

L

T

S

L

I

K

N

T

G

P

D

A

K

Q

P

K

I

W

N

Q

L

E

A

S

H

A

S

P

N

I

Y

A

E

D

D

H

A

R

L

E

K

A

A

V

I

T

A

L

F

L

E

L

L

E

E

K

K

L

-

G

-

Y

-

R

-

I

-

E

R

S

D

L

L

Q

T

D

D

-

S

I

V

D

A

G

L

V

I

G

G

H

H

R
|
R

V

I

A

A

H

H

G

G

E

E

R

L

F

F

K

T

D

Q

S

S

T

V

P

I

V

I

T

T

D

D

E

E

S

I

L

I

A

D

E

N

I

I

E

R

R

R

L

V

A

S

E

P

L

L

A

A

P

P

L

L

H

H

N

N

P

Y

V

A

N

N

A

L

L

S

G

G

I

I

K

D

V

A

F

A

R

R

Q

H

L

L

L

F

P

P

D

A

T

V

P

R

S

Q

V

V

A

A

V

V

F

F

D

D

T

T

A

S

F

F

H

H

Q

Q

T

T

L

L

D

A

E

P

R

E

A

A

F

Y

I

L

Y

Y

P

G

L

L

P

P

W

W

R

E

Y

Y

Y

F

S

S

E

S

L

L

G

G

I

V

R

R

Y

Y

G

G

F

F

H
|
H

G

G

T

T

S

S

H

H

K

R

Y

Y

V

V

S

S

A

R

T

R

L

A

A

Y

E

E

K

L

L

L

G

D

V

L

P

D

L

E

S

K

A

D

L

S

R

G

V

L

V

I

C

V

C

A

H

H

L

L

G
|
G

N
|
N

G
|
G

S

A

S

S

V

I

C

C

A

A

I

V

K

R

G

N

G

G

R

Q

S

S

V

V

N

D

T

T

S

S

M

M

G

G

F

M

T

T

P

P

Q

L

S

E

G

G

V

L

M

M

G

G

T

T

R
|
R

S

S

G

G

D

D

I

V

D

D

P

F

S

G

I

A

L

M

P

A

W

W

L

I

A

A

L

K

H

E

E

T

G

G

Q

Q

T

T

P

L

E

S

Q

D

L

L

N

E

Q

R

L

V

N

N

N

K

E

E

S

S

G

G

L

L

G

G

V

I

S

S

G

G

V

L

S

S

H

S

D
|
D

Y
x
L

R
|
R

D

V

V

L

E

E

Q

K

A

A

A

W

D

H

G

E

G

G

N

H

R

E

R

R

A

A

A

R

L

L

A

A

L

I

A

K

L

T

F

F

A

V

E

H

R

R

I

I

R

A

A

R

T

H

I

I

G

A

S

G

Y

H

I

A

M

A

Q

S

M

L

G

H

G

R

I

L

D

D

A

G

L

I

I

I

F

F

T

T

G

G

G
|
G

I
|
I

G

G

E

E

N
|
N

S

S

A

V

R

L

A

I

R

R

S

Q

A

L

I

V

C

I

H

E

N

H

L

L

N

G

F

V

L

L

G

G

L

L

S

T

V

L

D

D

E

V

E

E

K

M

N

N

Q

K

-

Q

-

P

-

N

-

S

H

H

N

G

A

E

T

R

F

I

I

I

Q

S

A

A

E

N

H

P

A

S

L

Q

V

V

K

I

V

C

A

A

V

V

I

I

N

P

T

T

N

N

E
|
E

E

E

L

K

M

M

I

I

A

A

R

L

D

D

V

A

M

I

R

H

L

L

active site: N8 (= N9), R83 (= R90), H172 (= H179), R233 (= R240), E378 (= E381)
binding phosphoaminophosphonic acid-adenylate ester: G202 (= G209), N203 (= N210), G204 (= G211), D275 (= D282), L276 (≠ Y283), R277 (= R284), G323 (= G330), I324 (= I331), N327 (= N334)

1x3mA Crystal structure of adp bound propionate kinase (tdcd) from salmonella typhimurium (see paper)
44% identity, 96% coverage: 5:392/404 of query aligns to 4:389/394 of 1x3mA

query
sites
1x3mA

I

V

M

L

A

V

I

I

N
|
N

A

C

G

G

S

S

L

I

K

K

F

F

Q

S

L

V

L

L

E

D

M

V

P

A

Q

T

G

C

E

D

T

V

L

L

C

M

Q

A

G

G

L

I

I

A

E

D

R

G

I

M

G

N

M

T

A

E

N

N

A

A

Q

F

V

L

T

S

L

I

K

N

T

G

P

D

A

K

Q

P

K

I

W

N

Q

L

E

A

S

H

A

S

P

N

I

Y

A

E

D

D

H

A

R

L

E

K

A

A

V

I

T

A

L

F

L

E

L

L

E

E

K

K

L

-

G

-

Y

-

R

-

I

-

E

R

S

D

L

L

Q

T

D

D

-

S

I

V

D

A

G

L

V

I

G

G

H

H

R
|
R

V

I

A

A

H

H

G

G

E

E

R

L

F

F

K

T

D

Q

S

S

T

V

P

I

V

I

T

T

D

D

E

E

S

I

L

I

A

D

E

N

I

I

E

R

R

R

L

V

A

S

E

P

L

L

A

A

P

P

L

L

H

H

N

N

P

Y

V

A

N

N

A

L

L

S

G

G

I

I

K

D

V

A

F

A

R

R

Q

H

L

L

L

F

P

P

D

A

T

V

P

R

S

Q

V

V

A

A

V

V

F

F

D

D

T

T

A

S

F

F

H

H

Q

Q

T

T

L

L

D

A

E

P

R

E

A

A

F

Y

I

L

Y

Y

P

G

L

L

P

P

W

W

R

E

Y

Y

Y

F

S

S

E

S

L

L

G

G

I

V

R

R

Y

Y

G

G

F

F

H
|
H

G

G

T

T

S

S

H

H

K

R

Y

Y

V

V

S

S

A

R

T

R

L

A

A

Y

E

E

K

L

L

L

G

D

V

L

P

D

L

E

S

K

A

D

L

S

R

G

V

L

V

I

C

V

C

A

H

H

L

L

G
|
G

N
|
N

G

G

S

A

S

S

V

I

C

C

A

A

I

V

K

R

G

N

G

G

R

Q

S

S

V

V

N

D

T

T

S

S

M

M

G

G

F

M

T

T

P

P

Q

L

S

E

G

G

V

L

M

M

G

G

T

T

R
|
R

S

S

G

G

D

D

I

V

D

D

P

F

S

G

I

A

L

M

P

A

W

W

L

I

A

A

L

K

H

E

E

T

G

G

Q

Q

T

T

P

L

E

S

Q

D

L

L

N

E

Q

R

L

V

N

N

N

K

E

E

S

S

G

G

L

L

G

G

V

I

S

S

G

G

V

L

S

S

H

S

D
|
D

Y
x
L

R
|
R

D

V

V

L

E

E

Q

K

A

A

A

W

D

H

G

E

G

G

N

H

R

E

R

R

A

A

A

R

L

L

A

A

L

I

A

K

L

T

F

F

A

V

E

H

R

R

I

I

R

A

A

R

T

H

I

I

G

A

S

G

Y

H

I

A

M

A

Q

S

M

L

G

H

G

R

I

L

D

D

A

G

L

I

I

I

F

F

T

T

G
|
G

I
|
I

G

G

E

E

N
|
N

S

S

A

V

R

L

A

I

R

R

S

Q

A

L

I

V

C

I

H

E

N

H

L

L

N

G

F

V

L

L

G

G

L

L

S

T

V

L

D

D

E

V

E

E

K

M

N

N

Q

K

-

Q

-

P

-

N

-

S

H

H

N

G

A

E

T

R

F

I

I

I

Q

S

A

A

E

N

H

P

A

S

L

Q

V

V

K

I

V

C

A

A

V

V

I

I

N

P

T

T

N

N

E
|
E

E

E

L

K

M

M

I

I

A

A

R

L

D

D

V

A

M

I

R

H

L

L

active site: N8 (= N9), R83 (= R90), H172 (= H179), R233 (= R240), E378 (= E381)
binding adenosine-5'-diphosphate: G202 (= G209), N203 (= N210), D275 (= D282), L276 (≠ Y283), R277 (= R284), G322 (= G329), G323 (= G330), I324 (= I331), N327 (= N334)

9dv9A The amp-bound structure of acka from treponema vincentii (see paper)
39% identity, 96% coverage: 5:392/404 of query aligns to 7:403/453 of 9dv9A

query
sites
9dv9A

I

I

M

L

A

T

I

L

N

N

A

C

G

G

S

S

L

V

K

K

F

Y

Q

Q

L

V

L

Y

E

D

M

W

P

D

Q

N

G

H

E

S

T

V

L

L

C

A

Q

S

G

G

L

V

I

V

E

E

R

R

I

V

G

T

M

Q

A

P

N

G

A

S

Q

V

V

I

T

T

L

H

K

E

T

A

P

K

A

G

Q

K

-

D

K

K

W

Y

Q

V

E

L

S

E

A

S

P

P

I

C

A

P

D

S

H

H

R

T

E

H

A

A

V

V

T

E

L

L

L

I

E

K

K

T

L

L

L

T

-

D

-

P

G

S

Y

V

R

G

I

V

I

I

E

T

S

D

L

M

Q

N

D

V

I

I

D

K

G

A

V

V

G

G

H

H

R

R

V

V

A

T

H

H

G

G

E

D

R

K

F

F

K

I

D

K

S

S

T

V

P

I

V

V

T

T

D

P

E

E

S

I

L

L

A

N

E

T

I

F

E

R

R

E

L

V

A

Q

E

D

L

L

A

G

P

P

L

L

H

H

N

N

P

P

V

A

N

N

A

I

L

M

G

G

I

I

K

E

V

A

F

A

R

Q

Q

K

L

V

L

L

P

P

D

N

T

V

P

P

S

H

V

C

A

A

V

I

F

I

D

D

T

T

A

A

F

W

H

H

Q

Q

T

T

L

M

D

P

E

E

R

T

A

S

F

F

I

M

Y

Y

P

A

L

I

P

P

W

H

R

E

Y

W

Y

Y

S

E

E

K

L

Y

G

S

I

A

R

R

Y

Y

G

G

F

F

H

H

G

G

T

T

S

S

H

F

K

L

Y

Y

V

T

S

A

A

K

T

R

L

A

A

A

E

V

K

I

L

L

G

G

V

K

P

K

L

P

S

E

A

D

L

T

R

N

V

I

C

I

C

A

H

H

L

I

G
|
G

N

N

G

G

S

A

S

S

V

M

C

C

A

C

I

V

K

K

G

Q

G

G

R

K

S

C

V

F

N

D

T

T

S

S

M

M

G

G

F

L

T

T

P

P

Q

L

S

E

G

G

V

L

M

V

M

M

G

G

T

T

R

R

S

S

G

G

D

D

I

C

D

D

P

P

S

A

I

L

L

P

P

F

W

Y

L

I

A

M

L

R

H

K

E

T

G

G

Q

M

T

T

P

P

E

A

Q

E

L

M

N

D

Q

T

L

A

L

L

N

N

N

K

E

K

S

S

G

G

L

L

G

G

V

V

S

T

G

G

V

Q

S

Y

H

V

D
|
D

Y
x
R

R
|
R

D

D

V

V

E

S

Q

K

A

A

A

M

D

G

G

E

G

G

N

D

R

K

R

R

A

A

A

R

L

L

A

A

L

F

A

N

L

M

F

E

A

V

E

Y

R

R

I

L

R

Q

A

K

T

Y

I

F

G

G

S

A

Y

Y

I

I

M

A

Q

A

M

L

G

G

-

Q

G

K

I

P

D

D

A

A

L

I

I

V

F

F

T

T

G
x
A

G
|
G

I

V

G

G

E

E

N
x
F

S

G

A

F

R

D

A

T

R

R

S

L

A

A

I

V

C

C

H

E

N

G

L

L

N

T

F

H

L

L

G

G

L

I

S

K

V

I

D

D

E

P

E

K

K

K

N

N

-

A

-

L

-

A

-

R

-

T

Q

R

H

N

N

A

A

E

T

T

F

C

I

I

Q

S

A

A

E

D

H

D

A

S

L

P

V

V

K

K

V

I

A

F

V

V

I

I

N

P

T

T

N

D

E

E

L

L

M

V

I

M

A

T

R

E

D

D

V

A

M

Y

R

A

L

L

binding adenosine monophosphate: G214 (= G209), D287 (= D282), R288 (≠ Y283), R289 (= R284), A335 (≠ G329), G336 (= G330), F340 (≠ N334)

4iz9A Crystal structure of an acetate kinase from mycobacterium avium bound to an unknown acid-apcpp conjugate and manganese (see paper)
41% identity, 96% coverage: 4:392/404 of query aligns to 5:378/381 of 4iz9A

query
sites
4iz9A

K

R

I

V

M

L

A

V

I

I

N
|
N

A

S

G

G

S

S

L

L

K
|
K

F

F

Q

Q

L

L

L

V

E

D

M

P

P

E

Q

S

G

G

E

V

T

A

L

A

C

S

Q

T

G

G

L

I

I

V

E

E

R

R

I

I

G

G

M

-

A

-

N

-

A

-

Q

-

V

-

T

-

L

-

K

-

T

-

P

-

A

-

Q

-

K

-

W

-

Q

-

E

-

S

E

A

S

P

P

I

V

A

P

D

D

H

H

R

D

E

A

A

A

V

L

T

R

L

R

L

A

L

F

E

D

K

M

L

L

L

A

G

G

Y

D

R

G

I

V

I

D

E

L

S

N

L

T

Q

A

D

G

I

L

D

V

G

A

V

V

G

G

H

H

R
|
R

V

V

A

V

H

H

G

G

E

N

R

T

F

F

K

Y

D

R

S

P

T

T

P

V

V

L

T

D

D

D

E

A

S

V

L

I

A

A

E

R

I

L

E

H

R

E

L

L

A

S

E

E

L

L

A

A

P

P

L

L

H

H

N

N

P

P

V

P

N

A

A

L

L

L

G

G

I

I

K

E

V

V

F

A

R

R

Q

R

L

L

P

P

D

G

T

I

P

A

S

H

V

V

A

A

V

V

F

F

D

D

T

T

A

G

F

F

H

F

Q

H

T

D

L

L

D

P

E

P

R

A

A

A

F

A

I

T

Y

Y

P

A

L

I

P

D

W

R

R

E

Y

L

Y

A

S

D

E

R

L

W

G

Q

I

I

R

R

Y

Y

G

G

F

F

H
|
H

G

G

T

T

S

S

H

H

K

R

Y

Y

V

V

S

S

A

E

T

Q

L

A

A

A

E

A

K

F

L

L

G

D

V

R

P

P

L

L

S

R

A

G

L

L

R

K

V

Q

V

I

C

V

C

L

H

H

L

L

G
|
G

N
|
N

G

G

S

C

S

S

V

A

C

S

A

A

I

I

K

A

G

G

G

T

R

R

S

P

V

L

N

D

T

T

S

S

M

M

G

G

F

L

T

T

P

P

Q

L

S

E

G

G

V

L

M

V

M

M

G

G

T

T

R
|
R

S

S

G

G

D

D

I

I

D

D

P

P

S

S

I

V

L

V

P

S

W

Y

L

L

A

C

L

H

H

T

E

A

G

G

Q

M

T

G

P

V

E

D

Q

D

L

V

N

E

Q

S

L

M

L

L

N

N

N

H

E

R

S

S

G

G

L

V

G

G

V

L

S

S

G

G

V

V

S

-

H

R

D
|
D

Y
x
F

R
|
R

D

R

V

L

E

R

Q

E

A

L

A

I

D

E

G

S

G

G

N

D

R

G

R

A

A

A

A

Q

L

L

A

A

L

Y

A

S

L

V

F

F

A

T

E

H

R

R

I

L

R

R

A

K

T

Y

I

I

G

G

S

A

Y

Y

I

L

M

A

Q

V

M

L

G

G

G

H

I

T

D

D

A

V

L

I

I

S

F

F

T

T

G

A

G
|
G

I
|
I

G

G

E

E

N
|
N

S
x
D

A

A

R

A

A

V

R

R

S

R

A

D

I

A

C

V

H

S

N

G

L

M

N

E

F

E

L

L

G

G

L

I

S

V

V

L

D

D

E

E

E

R

K

R

N

N

-

L

-

P

-

G

Q

A

H

K

N

G

A

A

T

R

F

Q

I

I

Q

S

A

A

E

D

H

D

A

S

L

P

V

I

K

T

V

V

A

L

V

V

I

V

N

P

T

T

N

N

E
|
E

E

E

L

L

M

A

I

I

A

A

R

R

D

D

V

C

M

V

R

R

L

V

active site: N10 (= N9), R74 (= R90), H163 (= H179), R224 (= R240), E367 (= E381)
binding diphosphomethylphosphonic acid adenosyl ester: K17 (= K16), G193 (= G209), N194 (= N210), D265 (= D282), F266 (≠ Y283), R267 (= R284), G313 (= G330), I314 (= I331), N317 (= N334), D318 (≠ S335)

4ijnA Crystal structure of an acetate kinase from mycobacterium smegmatis bound to amp and sulfate (see paper)
39% identity, 95% coverage: 5:387/404 of query aligns to 4:371/376 of 4ijnA

query
sites
4ijnA

I

V

M

L

A

V

I

V

N
|
N

A

S

G

G

S

S

L

L

K

K

F

Y

Q

A

L

V

E

R

M

P

P

A

Q

S

G

G

E

E

T

F

L

L

C

A

Q

D

G

G

L

I

I

I

E

E

R

E

I

I

G

G

M

-

A

-

N

-

A

-

Q

-

V

-

T

-

L

-

K

-

T

-

P

-

A

-

Q

-

K

-

W

-

Q

-

E

-

S

S

A

G

P

A

I

V

A

P

D

D

H

H

R

D

E

A

A

A

V

L

T

R

L

A

L

F

E

D

K

E

L

L

L

A

G

A

Y

A

R

G

I

L

I

H

E

L

S

E

L

D

Q

L

D

D

I

L

D

K

G

A

V

V

G

G

H

H

R
|
R

V

M

A

V

H

H

G

G

E

K

R

T

F

F

K

Y

D

K

S

P

T

S

P

V

V

V

T

D

D

D

E

E

S

L

L

I

A

A

E

K

I

A

E

R

R

E

L

L

A

S

E

P

L

L

A

A

P

P

L

L

H

H

N

N

P

P

V

P

N

A

A

I

L

K

G

G

I

I

K

E

V

V

F

A

R

R

Q

K

L

L

P

P

D

D

T

L

P

P

S

H

V

I

A

A

V

V

F

F

D

D

T

T

A

A

F

F

H

F

Q

H

T

D

L

L

D

P

E

A

R

P

A

A

F

S

I

T

Y

Y

P

A

L

I

P

D

W

R

R

E

Y

L

Y

A

S

E

E

T

L

W

G

H

I

I

R

K

R

R

Y

Y

G

G

F

F

H
|
H

G

G

T

T

S

S

H

H

K

E

Y

Y

V

V

S

S

A

Q

T

Q

L

A

A

A

E

I

K

F

L

L

G

D

V

R

P

P

L

L

S

E

A

S

L

L

R

N

V

Q

V

I

C

V

C

L

H

H

L

L

G
|
G

N
|
N

G

G

S

A

S

S

V

A

C

S

A

A

I

V

K

A

G

G

R

K

S

A

V

V

N

D

T

T

S

S

M

M

G

G

F

L

T

T

P

P

Q

M

S

E

G

G

V

L

M

V

M

M

G

G

T

T

R
|
R

S

S

G

G

D

D

I

I

D

D

P

P

S

G

I

V

L

I

P

M

W

Y

L

L

A

W

L

R

H

T

E

A

G

G

Q

M

T

S

P

V

E

D

Q

D

L

I

N

E

Q

S

L

M

L

L

N

N

N

R

E

R

S

S

G

G

L

V

L

L

G

G

V

L

S

G

G

G

V

A

S

S

H

-

D
|
D

Y
x
F

R
|
R

D

K

V

L

E

R

Q

E

A

L

A

I

D

E

G

S

G

G

N

D

R

E

R

H

A

A

A

K

L

L

A

A

L

Y

A

D

L

V

F

Y

A

I

E

H

R

R

I

L

R

R

A

K

T

Y

I

I

G

G

S

A

Y

Y

I

M

M

A

Q

V

M

L

G

G

G

R

I

T

D

D

A

V

L

I

I

S

F

F

T

T

G

A

G
|
G

I
x
V

G

G

E

E

N
|
N

S
x
V

A

P

R

P

A

V

R

R

S

R

A

D

I

A

C

L

H

A

N

G

L

L

N

G

F

G

L

L

G

G

L

I

S

E

V

I

D

D

E

D

E

A

K

L

N

N

Q

S

H

A

N

K

A

S

T

D

-

E

-

P

-

R

F

L

I

I

Q

S

A

T

E

P

H

D

A

S

L

R

V

V

K

T

V

V

A

L

V

V

I

V

N

P

T

T

N

N

E
|
E

E

E

L

L

M

A

I

I

A

A

R

R

active site: N8 (= N9), R72 (= R90), H161 (= H179), R222 (= R240), E365 (= E381)
binding adenosine monophosphate: G191 (= G209), N192 (= N210), D263 (= D282), F264 (≠ Y283), R265 (= R284), G311 (= G330), V312 (≠ I331), N315 (= N334), V316 (≠ S335)

1sazA Membership in the askha superfamily: enzymological properties and crystal structure of butyrate kinase 2 from thermotoga maritima (see paper)
25% identity, 44% coverage: 174:349/404 of query aligns to 149:323/375 of 1sazA

query
sites
1sazA

R

R

R

K

Y

S

G

I

F

F

H
|
H

G

A

T

L

S

N

H

Q

K

K

Y

T

V

V

S

A

A

K

T

E

L

V

A

A

E

R

K

M

L

M

G

N

V

K

P

R

L

Y

S

E

A

E

L

M

R

N

V

L

V

V

C

V

C

A

H

H

L

M

G
|
G

N
x
G

G
|
G

S

I

S

S

V

I

C

A

A

A

I

H

K

R

G

K

G

G

R

R

-

V

-

I

S

D

V

V

N

N

T

N

S

A

M

L

G

D

-

G

-

D

-

G

-

P

F

F

T

T

P

P

Q

E

S

-

G

-

V

-

M

-

G

-

T

-

R
|
R

S

S

G

G

D

T

I

L

D

P

P

L

S

T

I

Q

L

L

P

V

W

D

L

L

A

C

L

F

H

S

E

G

G

K

Q

F

T

T

P

Y

E

E

Q

E

L

M

N

K

Q

K

L

R

L

I

N

V

N

G

E

N

S

G

G

G

L

L

L

V

G

A

V

Y

S

L

G

G

V

T

S
|
S

H

-

D
|
D

Y
x
A

R
|
R

D

E

V

V

E

V

Q

R

A

R

A

I

D

K

G

Q

G

G

N

D

R

E

R

W

A

A

A

K

L

R

A

V

L

Y

A

R

L

A

F

M

A

A

E

Y

R

Q

I

I

R

A

A

K

T

W

I

I

G

G

S

K

Y

M

I

A

M

A

Q

V

M

L

G

K

G

G

-

E

I

V

D

D

A

F

L

I

I

V

F

L

T

T

G

G

G
|
G

I
x
L

G

A

E
x
H

N

E

S

K

A

E

R

F

A

L

R

V

S

P

A

W

I

I

C

T

H

K

N

R

L

V

N

S

F

F

L

I

active site: R214 (= R240)
binding phosphomethylphosphonic acid adenylate ester: H154 (= H179), G184 (= G209), G185 (≠ N210), G186 (= G211), S254 (= S280), D255 (= D282), A256 (≠ Y283), R257 (= R284), G304 (= G330), L305 (≠ I331), H307 (≠ E333)

Query Sequence

>BWI76_RS23200 FitnessBrowser__Koxy:BWI76_RS23200
MSYKIMAINAGSSSLKFQLLEMPQGETLCQGLIERIGMANAQVTLKTPAQKWQESAPIAD
HREAVTLLLEKLLGYRIIESLQDIDGVGHRVAHGGERFKDSTPVTDESLAEIERLAELAP
LHNPVNALGIKVFRQLLPDTPSVAVFDTAFHQTLDERAFIYPLPWRYYSELGIRRYGFHG
TSHKYVSATLAEKLGVPLSALRVVCCHLGNGSSVCAIKGGRSVNTSMGFTPQSGVMMGTR
SGDIDPSILPWLALHEGQTPEQLNQLLNNESGLLGVSGVSHDYRDVEQAADGGNRRAALA
LALFAERIRATIGSYIMQMGGIDALIFTGGIGENSARARSAICHNLNFLGLSVDEEKNQH
NATFIQAEHALVKVAVINTNEELMIARDVMRLALPAAETLTVSA

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory