SitesBLAST

N7 (= N13) 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 (= S16) mutation S->A,T: Strongly decreases catalytic activity. Strongly decreases affinity for acetate.
S12 (= S18) 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 (= K20) mutation to A: Strongly decreases enzyme activity.; mutation to R: Reduces enzyme activity.
R91 (= R94) mutation R->A,L: Decreases catalytic activity. Decreases affinity for acetate.
V93 (= V96) mutation to A: Decreases affinity for acetate.
L122 (≠ E124) mutation to A: Decreases affinity for acetate.
D148 (= D150) active site, Proton donor/acceptor; mutation D->A,E,N: Abolishes catalytic activity. Decreases affinity for acetate, but not for ATP.
F179 (= F180) mutation to A: Decreases affinity for acetate.
N211 (≠ S212) mutation to A: Slightly reduced enzyme activity.
P232 (= P233) mutation to A: Decreases affinity for acetate.
R241 (= R242) mutation R->K,L: Decreases catalytic activity. Strongly reduced affinity for ATP.
E384 (= E382) 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)
34% identity, 95% coverage: 9:388/400 of query aligns to 3:390/398 of 1tuuB

query
sites
1tuuB

L

V

L

L

T

V

I

I

N
|
N

G

A

G

G

S

S

I

L

K

K

Y

Y

A

Q

L

L

Y

I

E

D

I

M

K

T

E

N

P

E

L

-

N

S

Q

A

L

L

L

A

S

V

G

G

E

L

M

C

E

E

G

R

I

I

W

G

S

I

G

D

Q

N

A

S

Q

I

L

I

H

T

F

Q

T

K

H

K

A

F

N

D

G

G

V

K

K

K

N

L

H

E

H

K

I

L

-

T

D

D

I

L

P

P

V

-

T

-

N

T

H

H

T

K

E

D

A

A

A

L

E

E

W

E

L

V

F

V

N

K

W

A

L

L

Q

T

K

D

E

D

-

E

-

F

-

G

-

V

-

I

T

K

E

D

Y

M

I

G

K

E

V

I

T

N

A

A

I

V

G

G

H

H

R
|
R

I

V

V

V

Q

H

G

G

M

G

K

E

H

K

T

F

A

T

P

T

E

S

K

A

I

L

T

Y

D

D

E

E

F

G

L

V

A

E

Q

K

-

A

L

I

K

K

A

D

I

C

S

F

A

E

F

L

D

A

P

P

E

L

H

H

L

N

P

P

A

P

E

N

I

M

E

M

L

G

I

I

E

S

V

A

F

C

R

A

K

E

R

I

Y

M

P

P

D

G

V

T

D

P

Q

M

V

V

A

I

C

V

F

F

D

D

T

T

Y

A

F

F

H

H

T

Q

S

T

M

M

P

P

A

P

I

Y

A

A

K

Y

L

M

V

Y

P

A

I

L

P

P

R

Y

K

D

-

L

Y

Y

R

E

N

K

K

H

G

G

I

V

K

R

R

K

Y

Y

G

G

F

F

H
|
H

G

G

L

T

S

S

Y

H

A

K

Y

Y

L

V

L

A

Q

E

E

R

F

A

E

A

R

L

I

M

A

L

G

G

T

K

E

P

K

A

S

E

K

E

G

T

K

K

I

I

V

T

A

C

H

H

L

L

G

G

S

N

G
|
G

A

S

S

S

M

I

V

T

A

A

I

V

K

E

N

G

G

G

K

K

S

S

I

V

D

E

T

T

S

S

M

M

G

G

F

F

T

T

P

P

A

L

S

E

G

G

L

L

T

A

M

M

S

G

T

T

R
|
R

T

C

G

G

D

S

L

I

D

D

P

P

G

A

V

I

A

V

W

P

Y

F

L

L

Q

M

Q

E

F

K

E

E

K

G

L

L

S

T

P

T

A

R

Q

E

F

I

N

D

H

T

M

L

V

M

N

N

H

K

E

K

S

S

G

G

L

V

L

L

A

G

I

V

S

S

G

G

T

L

T

S

A

N

D
|
D

M

F

Q
x
R

Q

D

L

L

L

D

K

E

I

A

Q

A

Q

S

Q

K

D

G

S

N

R

R

A

K

T

A

E

E

-

L

A

A

V

L

D

E

F

I

F

F

C

A

Y

Y

Q

K

C

V

I

K

K

K

W

F

I

I

G

G

A

E

F

Y

T

S

A

A

V

V

L

L

G

N

G

G

L

A

D

D

T

A

L

V

I

V

F

F

S

T

G

A

G
|
G

I
|
I

G

G

E

E

H
x
N

S
|
S

P

A

E

S

V

I

R

R

S

K

K

R

I

I

C

L

D

T

G

G

L

L

E

D

F

G

L

I

G

G

I

I

E

K

L

I

D

D

E

D

V

E

H

K

N

N

-

K

-

I

M

R

N

G

N

Q

T

E

T

I

I

D

I

I

S

S

T

T

E

P

K

D

S

A

R

K

T

V

P

R

V

V

Y

F

M

V

M

I

H

P

T

T

N

N

E
|
E

E

E

L

L

M

A

I

I

A

A

Q

R

active site: N7 (= N13), R91 (= R94), H180 (= H181), R241 (= R242), E384 (= E382)
binding adenosine monophosphate: D283 (= D284), R285 (≠ Q286), G331 (= G331), I332 (= I332), N335 (≠ H335), S336 (= S336)
binding trihydrogen thiodiphosphate: H180 (= H181), G212 (= G213), R241 (= R242)

1tuuA Acetate kinase crystallized with atpgs (see paper)
34% identity, 95% coverage: 9:388/400 of query aligns to 3:390/399 of 1tuuA

query
sites
1tuuA

L

V

L

L

T

V

I

I

N
|
N

G

A

G

G

S

S

I

L

K
|
K

Y

Y

A

Q

L

L

Y

I

E

D

I

M

K

T

E

N

P

E

L

-

N

S

Q

A

L

L

L

A

S

V

G

G

E

L

M

C

E

E

G

R

I

I

W

G

S

I

G

D

Q

N

A

S

Q

I

L

I

H

T

F

Q

T

K

H

K

A

F

N

D

G

G

V

K

K

K

N

L

H

E

H

K

I

L

-

T

D

D

I

L

P

P

V

-

T

-

N

T

H

H

T

K

E

D

A

A

A

L

E

E

W

E

L

V

F

V

N

K

W

A

L

L

Q

T

K

D

E

D

-

E

-

F

-

G

-

V

-

I

T

K

E

D

Y

M

I

G

K

E

V

I

T

N

A

A

I

V

G

G

H

H

R
|
R

I

V

V

V

Q

H

G

G

M

G

K

E

H

K

T

F

A

T

P

T

E

S

K

A

I

L

T

Y

D

D

E

E

F

G

L

V

A

E

Q

K

-

A

L

I

K

K

A

D

I

C

S

F

A

E

F

L

D

A

P

P

E

L

H

H

L

N

P

P

A

P

E

N

I

M

E

M

L

G

I

I

E

S

V

A

F

C

R

A

K

E

R

I

Y

M

P

P

D

G

V

T

D

P

Q

M

V

V

A

I

C

V

F

F

D

D

T

T

Y

A

F

F

H

H

T

Q

S

T

M

M

P

P

A

P

I

Y

A

A

K

Y

L

M

V

Y

P

A

I

L

P

P

R

Y

K

D

-

L

Y

Y

R

E

N

K

K

H

G

G

I

V

K

R

R

K

Y

Y

G

G

F

F

H
|
H

G

G

L

T

S

S

Y

H

A

K

Y

Y

L

V

L

A

Q

E

E

R

F

A

E

A

R

L

I

M

A

L

G

G

T

K

E

P

K

A

S

E

K

E

G

T

K

K

I

I

V

T

A

C

H

H

L

L

G
|
G

S

N

G
|
G

A

S

S

S

M

I

V

T

A

A

I

V

K

E

N

G

G

G

K

K

S

S

I

V

D

E

T

T

S

S

M

M

G

G

F

F

T

T

P

P

A

L

S

E

G

G

L

L

T

A

M

M

S

G

T

T

R
|
R

T

C

G

G

D

S

L

I

D

D

P

P

G

A

V

I

A

V

W

P

Y

F

L

L

Q

M

Q

E

F

K

E

E

K

G

L

L

S

T

P

T

A

R

Q

E

F

I

N

D

H

T

M

L

V

M

N

N

H

K

E

K

S

S

G

G

L

V

L

L

A

G

I

V

S

S

G

G

T

L

T

S

A

N

D
|
D

M
x
F

Q
x
R

Q

D

L

L

L

D

K

E

I

A

Q

A

Q

S

Q

K

D

G

S

N

R

R

A

K

T

A

E

E

-

L

A

A

V

L

D

E

F

I

F

F

C

A

Y

Y

Q

K

C

V

I

K

K

K

W

F

I

I

G

G

A

E

F

Y

T

S

A

A

V

V

L

L

G

N

G

G

L

A

D

D

T

A

L

V

I

V

F

F

S

T

G

A

G
|
G

I
|
I

G

G

E

E

H
x
N

S

S

P

A

E

S

V

I

R

R

S

K

K

R

I

I

C

L

D

T

G

G

L

L

E

D

F

G

L

I

G

G

I

I

E

K

L

I

D

D

E

D

V

E

H

K

N

N

-

K

-

I

M

R

N

G

N

Q

T

E

T

I

I

D

I

I

S

S

T

T

E

P

K

D

S

A

R

K

T

V

P

R

V

V

Y

F

M

V

M

I

H

P

T

T

N

N

E
|
E

E

E

L

L

M

A

I

I

A

A

Q

R

active site: N7 (= N13), R91 (= R94), H180 (= H181), R241 (= R242), E384 (= E382)
binding adenosine-5'-diphosphate: K14 (= K20), G210 (= G211), D283 (= D284), F284 (≠ M285), R285 (≠ Q286), G331 (= G331), I332 (= I332), N335 (≠ H335)
binding sulfate ion: R91 (= R94), H180 (= H181), G212 (= G213)

4fwsA Crystal structure of salmonella typhimurium propionate kinase (tdcd) in complex with ctp (see paper)
36% identity, 95% coverage: 8:387/400 of query aligns to 3:383/394 of 4fwsA

query
sites
4fwsA

C

V

L

V

L

L

T

V

I

I

N
|
N

G

C

G

G

S

S

I

I

K

K

Y

F

A

S

L

V

Y

L

E

D

I
x
V

K

A

E

-

P

T

L
x
C

N

D

Q

V

L

L

L

M

S

A

G

G

E

I

M

A

E

D

G

G

I

M

W

N

S

T

G

E

Q

N

A

A

Q

-

L

-

H

-

F

F

T

L

H

S

A

I

N

N

G

G

V

D

K

K

N

P

H

-

I

I

D

N

I

L

P

A

V

H

T

S

N

N

H

Y

T

E

E

D

A

A

A

L

E

K

W

A

L

I

F

A

N

F

W

E

L

L

Q

E

K

K

E

R

T

D

E

L

Y

T

I

D

K

S

V

V

T

A

A

L

I

I

G

G

H

H

R
|
R

I

I

V

A

Q

H

G

G

M

G

K

E

-

L

H

F

T

T

A

Q

P

S

E

V

K

I

I

I

T

T

D

D

E

E

F

I

L

I

A

D

Q

N

L

I

K

R

A

R

I

V

S

S

A

P

F

L

D

A

P

P

E

L

H
|
H

L

N

P

Y

A

A

E

N

I

L

E

S

L

G

I

I

E

D

V

A

F

A

R

R

K

H

R

L

Y

F

P

P

D

A

V

V

D

R

Q

Q

V

V

A

A

C

V

F

F

D

D

T

T

Y

S

F

F

H

H

T

Q

S

T

M

L

P

A

A

P

I

E

A

A

K

Y

L

L

V

Y

P

G

I

L

P

P

R

W

K

E

Y

Y

R

F

N

S

K

S

-

L

G

G

I

V

K

R

R

R

Y

Y

G

G

F

F

H
|
H

G

G

L

T

S

S

Y

H

A

R

Y

Y

L

V

L

S

Q

R

E

R

F

A

E

Y

R

E

I

L

A

L

G

D

T

L

E

D

K

E

S

K

K

D

G

S

K

G

I

L

I

I

V

V

A

A

H

H

L

L

G
|
G

S
x
N

G
|
G

A

A

S

S

M

I

V

C

A

A

I

V

K

R

N

N

G

G

K

Q

S

S

I

V

D

D

T

T

S

S

M

M

G

G

F

M

T

T

P

P

A

L

S

E

G

G

L

L

T

M

M

M

S

G

T
|
T

R
|
R

T

S

G

G

D

D

L

V

D

D

P

F

G

G

V

A

A

M

W

A

Y

W

L

I

Q

A

Q

K

F

E

E

T

K

G

L

Q

S

T

P

L

A

S

Q

D

F

L

N

E

H

R

M

V

V

V

N

N

H
x
K

E

E

S

S

G

G

L

L

A

G

I

I

S

S

G

G

T

L

T

S

A

S

D
|
D

M
x
L

Q
x
R

Q

V

L

L

L

E

K

K

I

A

-

W

Q

H

Q

E

Q

G

D

H

S

E

R

R

A

A

T

R

E

L

A

A

V

I

D

K

F

T

F

F

C

V

Y

H

Q

R

C

I

I

A

K

R

W

H

I

I

G

A

A

G

F

H

T

A

A

A

V

S

L

L

G

H

G

R

L

L

D

D

T

G

L

I

I

I

F

F

S

T

G

G

G
|
G

I
|
I

G

G

E

E

H
x
N

S

S

P

V

E

L

V

I

R

R

S

Q

K

L

I

V

C

I

D

E

G

H

L

L

E

G

F

V

L

L

G

G

I

L

E

T

L

L

D

D

-

V

E

E

V

M

H

N

N

K

M

Q

N

P

N

N

T

S

-

H

-

G

-

E

T

R

I

I

S

S

T

A

E

N

K

P

S

S

R

Q

T

V

P

I

V

C

Y

A

M

V

M

I

H

P

T

T

N

N

E
|
E

E

E

L

K

M

M

I

I

A

A

active site: N8 (= N13), R83 (= R94), H172 (= H181), R233 (= R242), E378 (= E382)
binding cytidine-5'-triphosphate: G202 (= G211), N203 (≠ S212), G204 (= G213), D275 (= D284), L276 (≠ M285), R277 (≠ Q286), G323 (= G331), I324 (= I332), N327 (≠ H335)
binding 1,2-ethanediol: V21 (≠ I26), C24 (≠ L30), H115 (= H125), N203 (≠ S212), T232 (= T241), R233 (= R242), K262 (≠ H271)

4fwrA Crystal structure of salmonella typhimurium propionate kinase (tdcd) in complex with cmp (see paper)
36% identity, 95% coverage: 8:387/400 of query aligns to 3:383/394 of 4fwrA

query
sites
4fwrA

C

V

L

V

L

L

T

V

I

I

N
|
N

G

C

G

G

S

S

I

I

K

K

Y

F

A

S

L

V

Y

L

E

D

I

V

K

A

E

-

P

T

L

C

N

D

Q

V

L

L

L

M

S

A

G

G

E

I

M

A

E

D

G

G

I

M

W

N

S

T

G

E

Q

N

A

A

Q

-

L

-

H

-

F

F

T

L

H

S

A

I

N

N

G

G

V

D

K

K

N

P

H

-

I

I

D

N

I

L

P

A

V

H

T

S

N

N

H

Y

T

E

E

D

A

A

A

L

E

K

W

A

L

I

F

A

N

F

W

E

L

L

Q

E

K

K

E

R

T

D

E

L

Y

T

I

D

K

S

V

V

T

A

A

L

I

I

G

G

H

H

R
|
R

I

I

V

A

Q

H

G

G

M

G

K

E

-

L

H

F

T

T

A

Q

P

S

E

V

K

I

I

I

T

T

D

D

E

E

F

I

L

I

A

D

Q

N

L

I

K

R

A

R

I

V

S

S

A

P

F

L

D

A

P

P

E

L

H

H

L

N

P

Y

A

A

E

N

I

L

E

S

L

G

I

I

E

D

V

A

F

A

R

R

K

H

R

L

Y

F

P

P

D

A

V

V

D

R

Q

Q

V

V

A

A

C

V

F

F

D

D

T

T

Y

S

F

F

H

H

T

Q

S

T

M

L

P

A

A

P

I

E

A

A

K

Y

L

L

V

Y

P

G

I

L

P

P

R

W

K

E

Y

Y

R

F

N

S

K

S

-

L

G

G

I

V

K

R

R

R

Y

Y

G

G

F

F

H
|
H

G

G

L

T

S

S

Y

H

A

R

Y

Y

L

V

L

S

Q

R

E

R

F

A

E

Y

R

E

I

L

A

L

G

D

T

L

E

D

K

E

S

K

K

D

G

S

K

G

I

L

I

I

V

V

A

A

H

H

L

L

G
|
G

S
x
N

G

G

A

A

S

S

M

I

V

C

A

A

I

V

K

R

N

N

G

G

K

Q

S

S

I

V

D

D

T

T

S

S

M

M

G

G

F

M

T

T

P

P

A

L

S

E

G

G

L

L

T

M

M

M

S

G

T

T

R
|
R

T

S

G

G

D

D

L

V

D

D

P

F

G

G

V

A

A

M

W

A

Y

W

L

I

Q

A

Q

K

F

E

E

T

K

G

L

Q

S

T

P

L

A

S

Q

D

F

L

N

E

H

R

M

V

V

V

N

N

H

K

E

E

S

S

G

G

L

L

A

G

I

I

S

S

G

G

T

L

T

S

A

S

D
|
D

M
x
L

Q
x
R

Q

V

L

L

L

E

K

K

I

A

-

W

Q

H

Q

E

Q

G

D

H

S

E

R

R

A

A

T

R

E

L

A

A

V

I

D

K

F

T

F

F

C

V

Y

H

Q

R

C

I

I

A

K

R

W

H

I

I

G

A

A

G

F

H

T

A

A

A

V

S

L

L

G

H

G

R

L

L

D

D

T

G

L

I

I

I

F

F

S

T

G

G

G
|
G

I
|
I

G

G

E

E

H
x
N

S

S

P

V

E

L

V

I

R

R

S

Q

K

L

I

V

C

I

D

E

G

H

L

L

E

G

F

V

L

L

G

G

I

L

E

T

L

L

D

D

-

V

E

E

V

M

H

N

N

K

M

Q

N

P

N

N

T

S

-

H

-

G

-

E

T

R

I

I

S

S

T

A

E

N

K

P

S

S

R

Q

T

V

P

I

V

C

Y

A

M

V

M

I

H

P

T

T

N

N

E
|
E

E

E

L

K

M

M

I

I

A

A

active site: N8 (= N13), R83 (= R94), H172 (= H181), R233 (= R242), E378 (= E382)
binding cytidine-5'-monophosphate: G202 (= G211), N203 (≠ S212), D275 (= D284), L276 (≠ M285), R277 (≠ Q286), G323 (= G331), I324 (= I332), N327 (≠ H335)

4fwqA Crystal structure of salmonella typhimurium propionate kinase (tdcd) in complex with gtp (see paper)
36% identity, 95% coverage: 8:387/400 of query aligns to 3:383/394 of 4fwqA

query
sites
4fwqA

C

V

L

V

L

L

T

V

I

I

N
|
N

G

C

G

G

S

S

I

I

K

K

Y

F

A

S

L

V

Y

L

E

D

I

V

K

A

E

-

P

T

L

C

N

D

Q

V

L

L

L

M

S

A

G

G

E

I

M

A

E

D

G

G

I

M

W

N

S

T

G

E

Q

N

A

A

Q

-

L

-

H

-

F

F

T

L

H

S

A

I

N

N

G

G

V

D

K

K

N

P

H

-

I

I

D

N

I

L

P

A

V

H

T

S

N

N

H

Y

T

E

E

D

A

A

A

L

E

K

W

A

L

I

F

A

N

F

W

E

L

L

Q

E

K

K

E

R

T

D

E

L

Y

T

I

D

K

S

V

V

T

A

A

L

I

I

G

G

H

H

R
|
R

I

I

V

A

Q

H

G

G

M

G

K

E

-

L

H

F

T

T

A

Q

P

S

E

V

K

I

I

I

T

T

D

D

E

E

F

I

L

I

A

D

Q

N

L

I

K

R

A

R

I

V

S

S

A

P

F

L

D

A

P

P

E

L

H

H

L

N

P

Y

A

A

E

N

I

L

E

S

L

G

I

I

E

D

V

A

F

A

R

R

K

H

R

L

Y

F

P

P

D

A

V

V

D

R

Q

Q

V

V

A

A

C

V

F

F

D

D

T

T

Y

S

F

F

H

H

T

Q

S

T

M

L

P

A

A

P

I

E

A

A

K

Y

L

L

V

Y

P

G

I

L

P

P

R

W

K

E

Y

Y

R

F

N

S

K

S

-

L

G

G

I

V

K

R

R

R

Y

Y

G

G

F

F

H
|
H

G

G

L

T

S

S

Y

H

A

R

Y

Y

L

V

L

S

Q

R

E

R

F

A

E

Y

R

E

I

L

A

L

G

D

T

L

E

D

K

E

S

K

K

D

G

S

K

G

I

L

I

I

V

V

A

A

H

H

L

L

G

G

S
x
N

G
|
G

A

A

S

S

M

I

V

C

A

A

I

V

K

R

N

N

G

G

K

Q

S

S

I

V

D

D

T

T

S

S

M

M

G

G

F

M

T

T

P

P

A

L

S

E

G

G

L

L

T

M

M

M

S

G

T

T

R
|
R

T

S

G

G

D

D

L

V

D

D

P

F

G

G

V

A

A

M

W

A

Y

W

L

I

Q

A

Q

K

F

E

E

T

K

G

L

Q

S

T

P

L

A

S

Q

D

F

L

N

E

H

R

M

V

V

V

N

N

H

K

E

E

S

S

G

G

L

L

A

G

I

I

S

S

G

G

T

L

T

S

A

S

D
|
D

M
x
L

Q
x
R

Q

V

L

L

L
x
E

K

K

I

A

-

W

Q

H

Q

E

Q

G

D

H

S

E

R

R

A

A

T

R

E

L

A

A

V

I

D

K

F

T

F

F

C

V

Y

H

Q

R

C

I

I

A

K

R

W

H

I

I

G

A

A

G

F

H

T

A

A

A

V

S

L

L

G

H

G

R

L

L

D

D

T

G

L

I

I

I

F

F

S

T

G

G

G
|
G

I
|
I

G

G

E

E

H
x
N

S

S

P

V

E

L

V

I

R

R

S

Q

K

L

I

V

C

I

D

E

G

H

L

L

E

G

F

V

L

L

G

G

I

L

E

T

L

L

D

D

-

V

E

E

V

M

H

N

N

K

M

Q

N

P

N

N

T

S

-

H

-

G

-

E

T

R

I

I

S

S

T

A

E

N

K

P

S

S

R

Q

T

V

P

I

V

C

Y

A

M

V

M

I

H

P

T

T

N

N

E
|
E

E

E

L

K

M

M

I

I

A

A

active site: N8 (= N13), R83 (= R94), H172 (= H181), R233 (= R242), E378 (= E382)
binding guanosine-5'-triphosphate: H172 (= H181), N203 (≠ S212), G204 (= G213), D275 (= D284), L276 (≠ M285), R277 (≠ Q286), E280 (≠ L289), G323 (= G331), I324 (= I332), N327 (≠ H335)

4fwpA Crystal structure of salmonella typhimurium propionate kinase (tdcd) in complex with gdp (see paper)
36% identity, 95% coverage: 8:387/400 of query aligns to 3:383/394 of 4fwpA

query
sites
4fwpA

C

V

L

V

L

L

T

V

I

I

N
|
N

G

C

G

G

S
|
S

S

S

I

I

K

K

Y

F

A

S

L

V

Y

L

E

D

I

V

K

A

E

-

P

T

L

C

N

D

Q

V

L

L

L

M

S

A

G

G

E

I

M

A

E

D

G

G

I

M

W

N

S

T

G

E

Q

N

A

A

Q

-

L

-

H

-

F

F

T

L

H

S

A

I

N

N

G

G

V

D

K

K

N

P

H

-

I

I

D

N

I

L

P

A

V

H

T

S

N

N

H

Y

T

E

E

D

A

A

A

L

E

K

W

A

L

I

F

A

N

F

W

E

L

L

Q

E

K

K

E

R

T

D

E

L

Y

T

I

D

K

S

V

V

T

A

A

L

I

I

G

G

H

H

R
|
R

I

I

V

A

Q

H

G

G

M

G

K

E

-

L

H

F

T

T

A

Q

P

S

E

V

K

I

I

I

T

T

D

D

E

E

F

I

L

I

A

D

Q

N

L

I

K

R

A

R

I

V

S

S

A

P

F

L

D

A

P

P

E

L

H
|
H

L

N

P

Y

A

A

E

N

I

L

E

S

L

G

I

I

E

D

V

A

F

A

R

R

K

H

R

L

Y

F

P

P

D

A

V

V

D

R

Q

Q

V

V

A

A

C

V

F

F

D

D

T

T

Y

S

F

F

H

H

T

Q

S

T

M

L

P

A

A

P

I

E

A

A

K

Y

L

L

V

Y

P

G

I

L

P

P

R

W

K

E

Y

Y

R

F

N

S

K

S

-

L

G

G

I

V

K

R

R

R

Y

Y

G

G

F

F

H
|
H

G

G

L

T

S

S

Y

H

A

R

Y

Y

L

V

L

S

Q

R

E

R

F

A

E

Y

R

E

I

L

A

L

G

D

T

L

E

D

K

E

S

K

K

D

G

S

K

G

I

L

I

I

V

V

A

A

H

H

L

L

G

G

S
x
N

G

G

A

A

S

S

M

I

V

C

A

A

I

V

K

R

N

N

G

G

K

Q

S

S

I

V

D

D

T

T

S

S

M

M

G

G

F

M

T

T

P

P

A

L

S

E

G

G

L

L

T

M

M

M

S

G

T

T

R
|
R

T

S

G

G

D

D

L

V

D

D

P

F

G

G

V

A

A

M

W

A

Y

W

L

I

Q

A

Q

K

F

E

E

T

K

G

L

Q

S

T

P

L

A

S

Q

D

F

L

N

E

H

R

M

V

V

V

N

N

H
x
K

E

E

S

S

G

G

L

L

A

G

I

I

S

S

G

G

T

L

T

S

A

S

D
|
D

M
x
L

Q
x
R

Q

V

L

L

L
x
E

K

K

I

A

-

W

Q

H

Q

E

Q

G

D

H

S

E

R

R

A

A

T

R

E

L

A

A

V

I

D

K

F

T

F

F

C

V

Y

H

Q

R

C

I

I

A

K

R

W

H

I

I

G

A

A

G

F

H

T

A

A

A

V

S

L

L

G

H

G

R

L

L

D

D

T

G

L

I

I

I

F

F

S

T

G

G

G
|
G

I
|
I

G

G

E

E

H
x
N

S
|
S

P

V

E

L

V

I

R

R

S

Q

K

L

I

V

C

I

D

E

G

H

L

L

E

G

F

V

L

L

G

G

I

L

E

T

L

L

D

D

-

V

E

E

V

M

H

N

N

K

M

Q

N

P

N

N

T

S

-

H

-

G

-

E

T

R

I

I

S

S

T

A

E

N

K

P

S

S

R

Q

T

V

P

I

V

C

Y

A

M

V

M

I

H

P

T

T

N

N

E
|
E

E

E

L

K

M

M

I

I

A

A

active site: N8 (= N13), R83 (= R94), H172 (= H181), R233 (= R242), E378 (= E382)
binding 1,2-ethanediol: S11 (= S16), H115 (= H125), K262 (≠ H271)
binding guanosine-5'-diphosphate: N203 (≠ S212), D275 (= D284), L276 (≠ M285), R277 (≠ Q286), E280 (≠ L289), G323 (= G331), I324 (= I332), N327 (≠ H335), S328 (= S336)

4fwoA Crystal structure of salmonella typhimurium propionate kinase (tdcd) in complex with gmp (see paper)
36% identity, 95% coverage: 8:387/400 of query aligns to 3:383/394 of 4fwoA

query
sites
4fwoA

C

V

L

V

L

L

T

V

I

I

N
|
N

G

C

G

G

S

S

I

I

K

K

Y

F

A

S

L

V

Y

L

E

D

I

V

K

A

E

-

P

T

L

C

N

D

Q

V

L

L

L

M

S

A

G

G

E

I

M

A

E

D

G

G

I

M

W

N

S

T

G

E

Q

N

A

A

Q

-

L

-

H

-

F

F

T

L

H

S

A

I

N

N

G

G

V

D

K

K

N

P

H

-

I

I

D

N

I

L

P

A

V

H

T

S

N

N

H

Y

T

E

E

D

A

A

A

L

E

K

W

A

L

I

F

A

N

F

W

E

L

L

Q

E

K

K

E

R

T

D

E

L

Y

T

I

D

K

S

V

V

T

A

A

L

I

I

G

G

H

H

R
|
R

I

I

V

A

Q

H

G

G

M

G

K

E

-

L

H

F

T

T

A

Q

P

S

E

V

K

I

I

I

T

T

D

D

E
|
E

F

I

L

I

A

D

Q
x
N

L

I

K

R

A

R

I

V

S

S

A

P

F

L

D

A

P

P

E

L

H

H

L

N

P

Y

A

A

E

N

I

L

E

S

L

G

I

I

E

D

V

A

F

A

R

R

K

H

R

L

Y

F

P

P

D

A

V

V

D

R

Q

Q

V

V

A

A

C

V

F

F

D

D

T

T

Y

S

F

F

H

H

T

Q

S

T

M

L

P

A

A

P

I

E

A

A

K

Y

L

L

V

Y

P

G

I

L

P

P

R

W

K

E

Y

Y

R

F

N

S

K

S

-

L

G

G

I

V

K

R

R

R

Y

Y

G

G

F

F

H
|
H

G

G

L

T

S

S

Y

H

A

R

Y

Y

L

V

L

S

Q

R

E

R

F

A

E

Y

R

E

I

L

A

L

G

D

T

L

E

D

K

E

S

K

K

D

G

S

K

G

I

L

I

I

V

V

A

A

H

H

L

L

G
|
G

S
x
N

G

G

A

A

S

S

M

I

V

C

A

A

I

V

K

R

N

N

G

G

K

Q

S

S

I

V

D

D

T

T

S

S

M

M

G

G

F

M

T

T

P

P

A

L

S

E

G

G

L

L

T

M

M

M

S

G

T

T

R
|
R

T

S

G

G

D

D

L

V

D

D

P

F

G

G

V

A

A

M

W

A

Y

W

L

I

Q

A

Q

K

F

E

E

T

K

G

L

Q

S

T

P

L

A

S

Q

D

F

L

N

E

H

R

M

V

V

V

N

N

H

K

E

E

S

S

G

G

L

L

A

G

I

I

S

S

G

G

T

L

T

S

A

S

D
|
D

M
x
L

Q
x
R

Q

V

L

L

L
x
E

K

K

I

A

-

W

Q

H

Q

E

Q

G

D

H

S

E

R

R

A

A

T

R

E

L

A

A

V

I

D

K

F

T

F

F

C

V

Y

H

Q

R

C

I

I

A

K

R

W

H

I

I

G

A

A

G

F

H

T

A

A

A

V

S

L

L

G

H

G

R

L

L

D

D

T

G

L

I

I

I

F

F

S

T

G

G

G
|
G

I
|
I

G

G

E

E

H
x
N

S

S

P

V

E

L

V

I

R

R

S

Q

K

L

I

V

C

I

D

E

G

H

L

L

E

G

F

V

L

L

G

G

I

L

E

T

L

L

D

D

-

V

E

E

V

M

H

N

N

K

M

Q

N

P

N

N

T

S

-

H

-

G

-

E

T

R

I

I

S

S

T

A

E

N

K

P

S

S

R

Q

T

V

P

I

V

C

Y

A

M

V

M

I

H

P

T

T

N

N

E
|
E

E

E

L

K

M

M

I

I

A

A

active site: N8 (= N13), R83 (= R94), H172 (= H181), R233 (= R242), E378 (= E382)
binding guanosine-5'-monophosphate: G202 (= G211), N203 (≠ S212), D275 (= D284), L276 (≠ M285), R277 (≠ Q286), E280 (≠ L289), G323 (= G331), I324 (= I332), N327 (≠ H335)
binding 1,2-ethanediol: E100 (= E110), N104 (≠ Q114)

4fwnA Crystal structure of salmonella typhimurium propionate kinase (tdcd) in complex with adenosine tetraphosphate (ap4) (see paper)
36% identity, 95% coverage: 8:387/400 of query aligns to 3:383/394 of 4fwnA

query
sites
4fwnA

C

V

L

V

L

L

T

V

I

I

N
|
N

G

C

G

G

S

S

I

I

K

K

Y

F

A

S

L

V

Y

L

E

D

I

V

K

A

E

-

P

T

L

C

N

D

Q

V

L

L

L

M

S

A

G

G

E

I

M

A

E

D

G

G

I

M

W

N

S

T

G

E

Q

N

A

A

Q

-

L

-

H

-

F

F

T

L

H

S

A

I

N

N

G

G

V

D

K

K

N

P

H

-

I

I

D

N

I

L

P

A

V

H

T

S

N

N

H

Y

T

E

E

D

A

A

A

L

E

K

W

A

L

I

F

A

N

F

W

E

L

L

Q

E

K

K

E

R

T

D

E

L

Y

T

I

D

K

S

V

V

T

A

A

L

I

I

G

G

H

H

R
|
R

I

I

V

A

Q

H

G

G

M

G

K

E

-

L

H

F

T

T

A

Q

P

S

E

V

K

I

I

I

T

T

D

D

E

E

F

I

L

I

A

D

Q

N

L

I

K

R

A

R

I

V

S

S

A

P

F

L

D

A

P

P

E

L

H

H

L

N

P

Y

A

A

E

N

I

L

E

S

L

G

I

I

E

D

V

A

F

A

R

R

K

H

R

L

Y

F

P

P

D

A

V

V

D

R

Q

Q

V

V

A

A

C

V

F

F

D

D

T

T

Y

S

F

F

H

H

T

Q

S

T

M

L

P

A

A

P

I

E

A

A

K

Y

L

L

V

Y

P

G

I

L

P

P

R

W

K

E

Y

Y

R

F

N

S

K

S

-

L

G

G

I

V

K

R

R

R

Y

Y

G

G

F

F

H
|
H

G

G

L

T

S

S

Y</