SitesBLAST

N7 (= N8) 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 (= S11) mutation S->A,T: Strongly decreases catalytic activity. Strongly decreases affinity for acetate.
S12 (= S13) 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 (= K15) mutation to A: Strongly decreases enzyme activity.; mutation to R: Reduces enzyme activity.
R91 (= R86) mutation R->A,L: Decreases catalytic activity. Decreases affinity for acetate.
V93 (= V88) mutation to A: Decreases affinity for acetate.
L122 (= L117) mutation to A: Decreases affinity for acetate.
D148 (= D143) active site, Proton donor/acceptor; mutation D->A,E,N: Abolishes catalytic activity. Decreases affinity for acetate, but not for ATP.
F179 (= F173) mutation to A: Decreases affinity for acetate.
N211 (= N204) mutation to A: Slightly reduced enzyme activity.
P232 (≠ A225) mutation to A: Decreases affinity for acetate.
R241 (= R234) mutation R->K,L: Decreases catalytic activity. Strongly reduced affinity for ATP.
E384 (= E370) mutation to A: Almost abolishes catalytic activity. Strongly decreases affinity for acetate. Requires strongly increased magnesium levels for enzyme activity.

4ijnA Crystal structure of an acetate kinase from mycobacterium smegmatis bound to amp and sulfate (see paper)
36% identity, 97% coverage: 1:377/388 of query aligns to 1:372/376 of 4ijnA

query
sites
4ijnA

M

M

S

V

F

T

Y

V

F

L

T

V

L

V

N
|
N

T

S

G

G

S

S

V

L

K

K

F

Y

S

A

L

V

Y

V

K

R

A

P

H

A

D

S

K

G

P

-

E

E

F

F

Y

L

I

A

S

D

G

G

S

I

I

I

E

E

C

E

L

I

G

G

P

S

S

G

A

A

K

-

L

-

K

-

M

-

Q

-

T

V

P

P

I

-

E

-

Q

-

V

-

R

-

E

-

L

-

G

-

P

-

I

-

D

D

H

H

A

D

S

A

A

A

V

L

P

R

A

A

I

A

F

F

S

D

A

E

L

L

E

A

P

A

-

A

-

G

-

L

F

H

L

L

K

E

G

D

S

L

S

D

V

L

V

K

G

A

I

V

G

G

H

H

R
|
R

I

M

V

V

H

H

G

G

R

K

S

T

F

F

F

Y

E

K

P

P

T

S

E

V

L

V

T

D

P

D

K

E

V

L

M

I

D

A

E

K

L

A

E

R

Q

E

L

L

I

S

P

P

L

L

A

A

P

P

L

L

H

H

Q

N

P

P

Y

P

S

A

L

I

A

K

T

G

I

I

Q

E

A

V

A

A

K

R

Q

K

V

L

F

L

P

P

D

D

A

L

L

P

Q

H

I

I

G

A

C

V

F

F

D

D

T

T

A

A

F

F

H

F

A

H

G

D

H

L

S

P

F

A

P

P

N

A

D

S

A

T

F

Y

A

A

I

I

P

D

R

R

H

E

F

L

Y

A

E

E

E

T

G

W

-

H

V

I

R

K

R

R

Y

Y

G

G

F

F

H
|
H

G

G

L

T

S

S

F

H

D

E

A

Y

I

V

C

S

N

Q

E

Q

-

A

-

I

M

F

R

L

D

D

R

R

Y

P

S

L

Q

E

V

S

A

L

N

N

E

Q

R

-

L

-

V

I

I

V

A

L

H

H

L

L

G
|
G

N
|
N

G

G

A

A

S

S

M

A

C

S

A

A

V

V

N

A

N

G

G

G

H

K

S

A

I

V

S

D

A

T

S

S

T

M

G

G

F

L

S

T

A

P

V

M

D

E

G

G

L

L

P

V

M

M

G

G

T

T

R
|
R

C

S

G

G

R

D

L

I

D

D

P

P

G

G

V

V

M

I

L

M

Y

Y

L

L

M

W

Q

R

E

T

K

A

K

G

L

M

S

S

P

V

E

D

I

I

E

E

T

S

I

M

I

L

Y

N

R

R

S

S

G

G

L

V

L

L

G

G

L

L

S

G

G

G

I

A

S

S

S
x
D

-
x
F

-
x
R

D

K

M

L

R

R

D

E

L

L

E

I

E

E

S

S

N

G

D

D

P

E

F

H

A

A

I

K

E

L

A

A

I

Y

D

D

Y

V

Y

Y

C

I

Y

H

Q

R

A

L

R

R

R

K

E

Y

V

I

A

G

T

A

M

Y

A

M

A

A

S

V

L

L

E

G

G

R

I

T

D

D

A

V

L

I

I

S

F

F

S

T

A

A

G
|
G

V
|
V

G

G

E

E

N
|
N

S
x
V

A

P

L

P

V

V

R

R

S

R

K

D

I

A

C

L

Q

A

P

G

L

L

A

G

F

G

L

L

G

G

I

I

T

E

I

I

D

D

Q

D

K

A

K

L

N

N

T

S

V

A

N

K

A

S

-

D

-

E

P

P

E

R

I

L

G

I

T

S

G

T

P

P

-

D

-

S

-

R

V

V

R

T

V

V

F

L

I

V

V

V

A

P

T

T

D

N

E
|
E

E

E

Q

L

V

A

I

I

V

A

R

R

A

A

active site: N8 (= N8), R72 (= R86), H161 (= H174), R222 (= R234), E365 (= E370)
binding adenosine monophosphate: G191 (= G203), N192 (= N204), D263 (≠ S275), F264 (vs. gap), R265 (vs. gap), G311 (= G321), V312 (= V322), N315 (= N325), V316 (≠ S326)

4fwsA Crystal structure of salmonella typhimurium propionate kinase (tdcd) in complex with ctp (see paper)
35% identity, 95% coverage: 5:374/388 of query aligns to 5:382/394 of 4fwsA

query
sites
4fwsA

F

L

T

V

L

I

N
|
N

T

C

G

G

S

S

V

I

K

K

F

F

S

S

L

V

Y

L

K

D

A
x
V

H

A

-

T

-
x
C

D

D

K

V

P

L

E

M

F

A

Y

G

I

I

S

A

G

D

S

G

I

M

E

N

C

T

L

E

G

N

P

A

S

F

A

L

K

S

L

I

K

N

M

G

Q

D

T

K

P

P

I

I

E

N

Q

-

V

-

R

-

E

-

L

L

G

A

P

H

I

S

D

N

H

Y

A

E

S

D

A

A

V

L

P

K

A

A

I

I

F

A

S

F

A

E

L

L

E

E

P

K

F

R

L

D

K

L

G

T

S

D

S

S

V

V

V

A

G

L

I

I

G

G

H

H

R
|
R

I

I

V

A

H

H

G

G

R

E

S

L

F

F

F

T

E

Q

P

S

T

V

E

I

L

I

T

T

P

D

K

E

V

I

M

I

D

D

E

N

L

I

E

R

Q

R

L

V

I

S

P

P

L

L

A

A

P

P

L

L

H
|
H

Q

N

P

Y

Y

A

S

N

L

L

A

S

T

G

I

I

Q

D

A

A

K

R

Q

H

V

L

F

F

P

P

D

A

A

V

L

R

Q

Q

I

V

G

A

C

V

F

F

D

D

T

T

A

S

F

F

H

H

A

Q

G

T

H

L

S

A

F

P

P

E

N

A

D

Y

A

L

F

Y

A

G

I

L

P

P

R

W

H

E

F

Y

Y

F

E

S

-

L

G

G

V

V

R

R

Y

Y

G

G

F

F

H
|
H

G

G

L

T

S

S

F

H

D

R

A

Y

I

V

C

S

N

R

-

R

-

A

-

Y

E

E

M

L

R

L

D

D

R

L

Y

D

S

E

Q

K

V

-

A

-

N

D

E

S

R

G

L

L

V

I

I

V

A

A

H

H

L

L

G
|
G

N
|
N

G
|
G

A

A

S

S

M

I

C

C

A

A

V

V

N

R

N

N

G

G

H

Q

S

S

I

V

S

D

A

T

S

S

T

M

G

G

F

M

S

T

A

P

V

L

D

E

G

G

L

L

P

M

M

M

G

G

T
|
T

R
|
R

C

S

G

G

R

D

L

V

D

D

P

F

G

G

V

A

M

M

L

A

Y

W

L

I

M

A

Q

K

E

E

K

T

K

G

L

Q

S

T

P

L

E

S

E

D

I

L

E

E

T

R

I

V

Y

N

R
x
K

R

E

S

S

G

G

L

L

G

G

L

I

S

S

G

G

I

L

S

S

D
|
D

M
x
L

R
|
R

D

V

L

L

E

E

E

K

S

A

-

W

-

H

-

E

N

G

D

H

P

E

F

R

A

A

I

R

E

L

A

A

I

I

D

K

Y

T

Y

F

C

V

Y

H

Q

R

A

I

R

A

R

R

E

H

V

I

A

A

T

G

M

H

A

A

S

S

L

L

E

H

G

R

I

L

D

D

A

G

L

I

I

I

F

F

S

T

A

G

G
|
G

V
x
I

G

G

E

E

N
|
N

S

S

A

V

L

L

V

I

R

R

S

Q

K

L

I

V

C

I

Q

E

P

H

L

L

A

G

F

V

L

L

G

G

I

L

T

T

I

L

D

D

-

V

-

E

-

M

-

N

Q

K

K

Q

K

P

N

N

T

S

V

H

N

G

A

E

P

R

E

I

I

I

G

S

T

A

G

N

P

P

V

S

R

Q

V

V

F

I

-

C

-

A

I

V

V

I

A

P

T

T

D

N

E
|
E

E

E

Q

K

V

M

I

I

active site: N8 (= N8), R83 (= R86), H172 (= H174), R233 (= R234), E378 (= E370)
binding cytidine-5'-triphosphate: G202 (= G203), N203 (= N204), G204 (= G205), D275 (= D276), L276 (≠ M277), R277 (= R278), G323 (= G321), I324 (≠ V322), N327 (= N325)
binding 1,2-ethanediol: V21 (≠ A21), C24 (vs. gap), H115 (= H118), N203 (= N204), T232 (= T233), R233 (= R234), K262 (≠ R263)

4fwrA Crystal structure of salmonella typhimurium propionate kinase (tdcd) in complex with cmp (see paper)
35% identity, 95% coverage: 5:374/388 of query aligns to 5:382/394 of 4fwrA

query
sites
4fwrA

F

L

T

V

L

I

N
|
N

T

C

G

G

S

S

V

I

K

K

F

F

S

S

L

V

Y

L

K

D

A

V

H

A

-

T

-

C

D

D

K

V

P

L

E

M

F

A

Y

G

I

I

S

A

G

D

S

G

I

M

E

N

C

T

L

E

G

N

P

A

S

F

A

L

K

S

L

I

K

N

M

G

Q

D

T

K

P

P

I

I

E

N

Q

-

V

-

R

-

E

-

L

L

G

A

P

H

I

S

D

N

H

Y

A

E

S

D

A

A

V

L

P

K

A

A

I

I

F

A

S

F

A

E

L

L

E

E

P

K

F

R

L

D

K

L

G

T

S

D

S

S

V

V

V

A

G

L

I

I

G

G

H

H

R
|
R

I

I

V

A

H

H

G

G

R

E

S

L

F

F

F

T

E

Q

P

S

T

V

E

I

L

I

T

T

P

D

K

E

V

I

M

I

D

D

E

N

L

I

E

R

Q

R

L

V

I

S

P

P

L

L

A

A

P

P

L

L

H

H

Q

N

P

Y

Y

A

S

N

L

L

A

S

T

G

I

I

Q

D

A

A

K

R

Q

H

V

L

F

F

P

P

D

A

A

V

L

R

Q

Q

I

V

G

A

C

V

F

F

D

D

T

T

A

S

F

F

H

H

A

Q

G

T

H

L

S

A

F

P

P

E

N

A

D

Y

A

L

F

Y

A

G

I

L

P

P

R

W

H

E

F

Y

Y

F

E

S

-

L

G

G

V

V

R

R

Y

Y

G

G

F

F

H
|
H

G

G

L

T

S

S

F

H

D

R

A

Y

I

V

C

S

N

R

-

R

-

A

-

Y

E

E

M

L

R

L

D

D

R

L

Y

D

S

E

Q

K

V

-

A

-

N

D

E

S

R

G

L

L

V

I

I

V

A

A

H

H

L

L

G
|
G

N
|
N

G

G

A

A

S

S

M

I

C

C

A

A

V

V

N

R

N

N

G

G

H

Q

S

S

I

V

S

D

A

T

S

S

T

M

G

G

F

M

S

T

A

P

V

L

D

E

G

G

L

L

P

M

M

M

G

G

T

T

R
|
R

C

S

G

G

R

D

L

V

D

D

P

F

G

G

V

A

M

M

L

A

Y

W

L

I

M

A

Q

K

E

E

K

T

K

G

L

Q

S

T

P

L

E

S

E

D

I

L

E

E

T

R

I

V

Y

N

R

K

R

E

S

S

G

G

L

L

G

G

L

I

S

S

G

G

I

L

S

S

D
|
D

M
x
L

R
|
R

D

V

L

L

E

E

E

K

S

A

-

W

-

H

-

E

N

G

D

H

P

E

F

R

A

A

I

R

E

L

A

A

I

I

D

K

Y

T

Y

F

C

V

Y

H

Q

R

A

I

R

A

R

R

E

H

V

I

A

A

T

G

M

H

A

A

S

S

L

L

E

H

G

R

I

L

D

D

A

G

L

I

I

I

F

F

S

T

A

G

G
|
G

V
x
I

G

G

E

E

N
|
N

S

S

A

V

L

L

V

I

R

R

S

Q

K

L

I

V

C

I

Q

E

P

H

L

L

A

G

F

V

L

L

G

G

I

L

T

T

I

L

D

D

-

V

-

E

-

M

-

N

Q

K

K

Q

K

P

N

N

T

S

V

H

N

G

A

E

P

R

E

I

I

I

G

S

T

A

G

N

P

P

V

S

R

Q

V

V

F

I

-

C

-

A

I

V

V

I

A

P

T

T

D

N

E
|
E

E

E

Q

K

V

M

I

I

active site: N8 (= N8), R83 (= R86), H172 (= H174), R233 (= R234), E378 (= E370)
binding cytidine-5'-monophosphate: G202 (= G203), N203 (= N204), D275 (= D276), L276 (≠ M277), R277 (= R278), G323 (= G321), I324 (≠ V322), N327 (= N325)

4fwqA Crystal structure of salmonella typhimurium propionate kinase (tdcd) in complex with gtp (see paper)
35% identity, 95% coverage: 5:374/388 of query aligns to 5:382/394 of 4fwqA

query
sites
4fwqA

F

L

T

V

L

I

N
|
N

T

C

G

G

S

S

V

I

K

K

F

F

S

S

L

V

Y

L

K

D

A

V

H

A

-

T

-

C

D

D

K

V

P

L

E

M

F

A

Y

G

I

I

S

A

G

D

S

G

I

M

E

N

C

T

L

E

G

N

P

A

S

F

A

L

K

S

L

I

K

N

M

G

Q

D

T

K

P

P

I

I

E

N

Q

-

V

-

R

-

E

-

L

L

G

A

P

H

I

S

D

N

H

Y

A

E

S

D

A

A

V

L

P

K

A

A

I

I

F

A

S

F

A

E

L

L

E

E

P

K

F

R

L

D

K

L

G

T

S

D

S

S

V

V

V

A

G

L

I

I

G

G

H

H

R
|
R

I

I

V

A

H

H

G

G

R

E

S

L

F

F

F

T

E

Q

P

S

T

V

E

I

L

I

T

T

P

D

K

E

V

I

M

I

D

D

E

N

L

I

E

R

Q

R

L

V

I

S

P

P

L

L

A

A

P

P

L

L

H

H

Q

N

P

Y

Y

A

S

N

L

L

A

S

T

G

I

I

Q

D

A

A

K

R

Q

H

V

L

F

F

P

P

D

A

A

V

L

R

Q

Q

I

V

G

A

C

V

F

F

D

D

T

T

A

S

F

F

H

H

A

Q

G

T

H

L

S

A

F

P

P

E

N

A

D

Y

A

L

F

Y

A

G

I

L

P

P

R

W

H

E

F

Y

Y

F

E

S

-

L

G

G

V

V

R

R

Y

Y

G

G

F

F

H
|
H

G

G

L

T

S

S

F

H

D

R

A

Y

I

V

C

S

N

R

-

R

-

A

-

Y

E

E

M

L

R

L

D

D

R

L

Y

D

S

E

Q

K

V

-

A

-

N

D

E

S

R

G

L

L

V

I

I

V

A

A

H

H

L

L

G

G

N
|
N

G
|
G

A

A

S

S

M

I

C

C

A

A

V

V

N

R

N

N

G

G

H

Q

S

S

I

V

S

D

A

T

S

S

T

M

G

G

F

M

S

T

A

P

V

L

D

E

G

G

L

L

P

M

M

M

G

G

T

T

R
|
R

C

S

G

G

R

D

L

V

D

D

P

F

G

G

V

A

M

M

L

A

Y

W

L

I

M

A

Q

K

E

E

K

T

K

G

L

Q

S

T

P

L

E

S

E

D

I

L

E

E

T

R

I

V

Y

N

R

K

R

E

S

S

G

G

L

L

G

G

L

I

S

S

G

G

I

L

S

S

D
|
D

M
x
L

R
|
R

D

V

L

L

E
|
E

E

K

S

A

-

W

-

H

-

E

N

G

D

H

P

E

F

R

A

A

I

R

E

L

A

A

I

I

D

K

Y

T

Y

F

C

V

Y

H

Q

R

A

I

R

A

R

R

E

H

V

I

A

A

T

G

M

H

A

A

S

S

L

L

E

H

G

R

I

L

D

D

A

G

L

I

I

I

F

F

S

T

A

G

G
|
G

V
x
I

G

G

E

E

N
|
N

S

S

A

V

L

L

V

I

R

R

S

Q

K

L

I

V

C

I

Q

E

P

H

L

L

A

G

F

V

L

L

G

G

I

L

T

T

I

L

D

D

-

V

-

E

-

M

-

N

Q

K

K

Q

K

P

N

N

T

S

V

H

N

G

A

E

P

R

E

I

I

I

G

S

T

A

G

N

P

P

V

S

R

Q

V

V

F

I

-

C

-

A

I

V

V

I

A

P

T

T

D

N

E
|
E

E

E

Q

K

V

M

I

I

active site: N8 (= N8), R83 (= R86), H172 (= H174), R233 (= R234), E378 (= E370)
binding guanosine-5'-triphosphate: H172 (= H174), N203 (= N204), G204 (= G205), D275 (= D276), L276 (≠ M277), R277 (= R278), E280 (= E281), G323 (= G321), I324 (≠ V322), N327 (= N325)

4fwpA Crystal structure of salmonella typhimurium propionate kinase (tdcd) in complex with gdp (see paper)
35% identity, 95% coverage: 5:374/388 of query aligns to 5:382/394 of 4fwpA

query
sites
4fwpA

F

L

T

V

L

I

N
|
N

T

C

G

G

S
|
S

S

S

V

I

K

K

F

F

S

S

L

V

Y

L

K

D

A

V

H

A

-

T

-

C

D

D

K

V

P

L

E

M

F

A

Y

G

I

I

S

A

G

D

S

G

I

M

E

N

C

T

L

E

G

N

P

A

S

F

A

L

K

S

L

I

K

N

M

G

Q

D

T

K

P

P

I

I

E

N

Q

-

V

-

R

-

E

-

L

L

G

A

P

H

I

S

D

N

H

Y

A

E

S

D

A

A

V

L

P

K

A

A

I

I

F

A

S

F

A

E

L

L

E

E

P

K

F

R

L

D

K

L

G

T

S

D

S

S

V

V

V

A

G

L

I

I

G

G

H

H

R
|
R

I

I

V

A

H

H

G

G

R

E

S

L

F

F

F

T

E

Q

P

S

T

V

E

I

L

I

T

T

P

D

K

E

V

I

M

I

D

D

E

N

L

I

E

R

Q

R

L

V

I

S

P

P

L

L

A

A

P

P

L

L

H
|
H

Q

N

P

Y

Y

A

S

N

L

L

A

S

T

G

I

I

Q

D

A

A

K

R

Q

H

V

L

F

F

P

P

D

A

A

V

L

R

Q

Q

I

V

G

A

C

V

F

F

D

D

T

T

A

S

F

F

H

H

A

Q

G

T

H

L

S

A

F

P

P

E

N

A

D

Y

A

L

F

Y

A

G

I

L

P

P

R

W

H

E

F

Y

Y

F

E

S

-

L

G

G

V

V

R

R

Y

Y

G

G

F

F

H
|
H

G

G

L

T

S

S

F

H

D

R

A

Y

I

V

C

S

N

R

-

R

-

A

-

Y

E

E

M

L

R

L

D

D

R

L

Y

D

S

E

Q

K

V

-

A

-

N

D

E

S

R

G

L

L

V

I

I

V

A

A

H

H

L

L

G

G

N
|
N

G

G

A

A

S

S

M

I

C

C

A

A

V

V

N

R

N

N

G

G

H

Q

S

S

I

V

S

D

A

T

S

S

T

M

G

G

F

M

S

T

A

P

V

L

D

E

G

G

L

L

P

M

M

M

G

G

T

T

R
|
R

C

S

G

G

R

D

L

V

D

D

P

F

G

G

V

A

M

M

L

A

Y

W

L

I

M

A

Q

K

E

E

K

T

K

G

L

Q

S

T

P

L

E

S

E

D

I

L

E

E

T

R

I

V

Y

N

R
x
K

R

E

S

S

G

G

L

L

G

G

L

I

S

S

G

G

I

L

S

S

D
|
D

M
x
L

R
|
R

D

V

L

L

E
|
E

E

K

S

A

-

W

-

H

-

E

N

G

D

H

P

E

F

R

A

A

I

R

E

L

A

A

I

I

D

K

Y

T

Y

F

C

V

Y

H

Q

R

A

I

R

A

R

R

E

H

V

I

A

A

T

G

M

H

A

A

S

S

L

L

E

H

G

R

I

L

D

D

A

G

L

I

I

I

F

F

S

T

A

G

G
|
G

V
x
I

G

G

E

E

N
|
N

S
|
S

A

V

L

L

V

I

R

R

S

Q

K

L

I

V

C

I

Q

E

P

H

L

L

A

G

F

V

L

L

G

G

I

L

T

T

I

L

D

D

-

V

-

E

-

M

-

N

Q

K

K

Q

K

P

N

N

T

S

V

H

N

G

A

E

P

R

E

I

I

I

G

S

T

A

G

N

P

P

V

S

R

Q

V

V

F

I

-

C

-

A

I

V

V

I

A

P

T

T

D

N

E
|
E

E

E

Q

K

V

M

I

I

active site: N8 (= N8), R83 (= R86), H172 (= H174), R233 (= R234), E378 (= E370)
binding 1,2-ethanediol: S11 (= S11), H115 (= H118), K262 (≠ R263)
binding guanosine-5'-diphosphate: N203 (= N204), D275 (= D276), L276 (≠ M277), R277 (= R278), E280 (= E281), G323 (= G321), I324 (≠ V322), N327 (= N325), S328 (= S326)

4fwoA Crystal structure of salmonella typhimurium propionate kinase (tdcd) in complex with gmp (see paper)
35% identity, 95% coverage: 5:374/388 of query aligns to 5:382/394 of 4fwoA

query
sites
4fwoA

F

L

T

V

L

I

N
|
N

T

C

G

G

S

S

V

I

K

K

F

F

S

S

L

V

Y

L

K

D

A

V

H

A

-

T

-

C

D

D

K

V

P

L

E

M

F

A

Y

G

I

I

S

A

G

D

S

G

I

M

E

N

C

T

L

E

G

N

P

A

S

F

A

L

K

S

L

I

K

N

M

G

Q

D

T

K

P

P

I

I

E

N

Q

-

V

-

R

-

E

-

L

L

G

A

P

H

I

S

D

N

H

Y

A

E

S

D

A

A

V

L

P

K

A

A

I

I

F

A

S

F

A

E

L

L

E

E

P

K

F

R

L

D

K

L

G

T

S

D

S

S

V

V

V

A

G

L

I

I

G

G

H

H

R
|
R

I

I

V

A

H

H

G

G

R

E

S

L

F

F

F

T

E

Q

P

S

T

V

E

I

L

I

T

T

P

D

K
x
E

V

I

M

I

D

D

E
x
N

L

I

E

R

Q

R

L

V

I

S

P

P

L

L

A

A

P

P

L

L

H

H

Q

N

P

Y

Y

A

S

N

L

L

A

S

T

G

I

I

Q

D

A

A

K

R

Q

H

V

L

F

F

P

P

D

A

A

V

L

R

Q

Q

I

V

G

A

C

V

F

F

D

D

T

T

A

S

F

F

H

H

A

Q

G

T

H

L

S

A

F

P

P

E

N

A

D

Y

A

L

F

Y

A

G

I

L

P

P

R

W

H

E

F

Y

Y

F

E

S

-

L

G

G

V

V

R

R

Y

Y

G

G

F

F

H
|
H

G

G

L

T

S

S

F

H

D

R

A

Y

I

V

C

S

N

R

-

R

-

A

-

Y

E

E

M

L

R

L

D

D

R

L

Y

D

S

E

Q

K

V

-

A

-

N

D

E

S

R

G

L

L

V

I

I

V

A

A

H

H

L

L

G
|
G

N
|
N

G

G

A

A

S

S

M

I

C

C

A

A

V

V

N

R

N

N

G

G

H

Q

S

S

I

V

S

D

A

T

S

S

T

M

G

G

F

M

S

T

A

P

V

L

D

E

G

G

L

L

P

M

M

M

G

G

T

T

R
|
R

C

S

G

G

R

D

L

V

D

D

P

F

G

G

V

A

M

M

L

A

Y

W

L

I

M

A

Q

K

E

E

K

T

K

G

L

Q

S

T

P

L

E

S

E

D

I

L

E

E

T

R

I

V

Y

N

R

K

R

E

S

S

G

G

L

L

G

G

L

I

S

S

G

G

I

L

S

S

D
|
D

M
x
L

R
|
R

D

V

L

L

E
|
E

E

K

S

A

-

W

-

H

-

E

N

G

D

H

P

E

F

R

A

A

I

R

E

L

A

A

I

I

D

K

Y

T

Y

F

C

V

Y

H

Q

R

A

I

R

A

R

R

E

H

V

I

A

A

T

G

M

H

A

A

S

S

L

L

E

H

G

R

I

L

D

D

A

G

L

I

I

I

F

F

S

T

A

G

G
|
G

V
x
I

G

G

E

E

N
|
N

S

S

A

V

L

L

V

I

R

R

S

Q

K

L

I

V

C

I

Q

E

P

H

L

L

A

G

F

V

L

L

G

G

I

L

T

T

I

L

D

D

-

V

-

E

-

M

-

N

Q

K

K

Q

K

P

N

N

T

S

V

H

N

G

A

E

P

R

E

I

I

I

G

S

T

A

G

N

P

P

V

S

R

Q

V

V

F

I

-

C

-

A

I

V

V

I

A

P

T

T

D

N

E
|
E

E

E

Q

K

V

M

I

I

active site: N8 (= N8), R83 (= R86), H172 (= H174), R233 (= R234), E378 (= E370)
binding guanosine-5'-monophosphate: G202 (= G203), N203 (= N204), D275 (= D276), L276 (≠ M277), R277 (= R278), E280 (= E281), G323 (= G321), I324 (≠ V322), N327 (= N325)
binding 1,2-ethanediol: E100 (≠ K103), N104 (≠ E107)

4fwnA Crystal structure of salmonella typhimurium propionate kinase (tdcd) in complex with adenosine tetraphosphate (ap4) (see paper)
35% identity, 95% coverage: 5:374/388 of query aligns to 5:382/394 of 4fwnA

query
sites
4fwnA

F

L

T

V

L

I

N
|
N

T

C

G

G

S

S

V

I

K

K

F

F

S

S

L

V

Y

L

K

D

A

V

H

A

-

T

-

C

D

D

K

V

P

L

E

M

F

A

Y

G

I

I

S

A

G

D

S

G

I

M

E

N

C

T

L

E

G

N

P

A

S

F

A

L

K

S

L

I

K

N

M

G

Q

D

T

K

P

P

I

I

E

N

Q

-

V

-

R

-

E

-

L

L

G

A

P

H

I

S

D

N

H

Y

A

E

S

D

A

A

V

L

P

K

A

A

I

I

F

A

S

F

A

E

L

L

E

E

P

K

F

R

L

D

K

L

G

T

S

D

S

S

V

V

V

A

G

L

I

I

G

G

H

H

R
|
R

I

I

V

A

H

H

G

G

R

E

S

L

F

F

F

T

E

Q

P

S

T

V

E

I

L

I

T

T

P

D

K

E

V

I

M

I

D

D

E

N

L

I

E

R

Q

R

L

V

I

S

P

P

L

L

A

A

P

P

L

L

H

H

Q

N

P

Y

Y

A

S

N

L

L

A

S

T

G

I

I

Q

D

A

A

K

R

Q

H

V

L

F

F

P

P

D

A

A

V

L

R

Q

Q

I

V

G

A

C

V

F

F

D

D

T

T

A

S

F

F

H

H

A

Q

G

T

H

L

S

A

F

P

P

E

N

A

D

Y

A

L

F

Y

A

G

I

L

P

P

R

W

H

E

F

Y

Y

F

E

S

-

L

G

G

V

V

R

R

Y

Y

G

G

F

F

H
|
H

G

G

L

T

S

S

F

H

D

R

A

Y

I

V

C

S

N

R

-

R

-

A

-

Y

E

E

M

L

R

L

D

D

R

L

Y

D

S

E

Q

K

V

-

A

-

N

D

E

S

R

G

L

L

V

I

I

V

A

A

H
|
H

L

L

G

G

N
|
N

G
|
G

A

A

S

S

M

I

C

C

A

A

V

V

N

R

N

N

G

G

H

Q

S

S

I

V

S

D

A

T

S

S

T

M

G

G

F

M

S

T

A

P

V

L

D

E

G

G

L

L

P

M

M

M

G

G

T

T

R
|
R

C

S

G

G

R

D

L

V

D

D

P

F

G

G

V

A

M

M

L

A

Y

W

L

I

M

A

Q

K

E

E

K

T

K

G

L

Q

S

T

P

L

E

S

E

D

I

L

E

E

T

R

I

V

Y

N

R

K

R

E

S

S

G

G

L

L

G

G

L

I

S

S

G

G

I

L

S

S

D
|
D

M
x
L

R
|
R

D

V

L

L

E

E

E

K

S

A

-

W

-

H

-

E

N

G

D

H

P

E

F

R

A

A

I

R

E

L

A

A

I

I

D

K

Y

T

Y

F

C

V

Y

H

Q

R

A

I

R

A

R

R

E

H

V

I

A

A

T

G

M

H

A

A

S

S

L

L

E

H

G

R

I

L

D

D

A

G

L

I

I

I

F

F

S

T

A

G

G
|
G

V
x
I

G

G

E

E

N
|
N

S

S

A

V

L

L

V

I

R

R

S

Q

K

L

I

V

C

I

Q

E

P

H

L

L

A

G

F

V

L

L

G

G

I

L

T

T

I

L

D

D

-

V

-

E

-

M

-

N

Q

K

K

Q

K

P

N

N

T

S

V

H

N

G

A

E

P

R

E

I

I

I

G

S

T

A

G

N

P

P

V

S

R

Q

V

V

F

I

-

C

-

A

I

V

V

I

A

P

T

T

D

N

E
|
E

E

E

Q

K

V

M

I

I

active site: N8 (= N8), R83 (= R86), H172 (= H174), R233 (= R234), E378 (= E370)
binding adenosine-5'-tetraphosphate: H172 (= H174), H200 (= H201), N203 (= N204), G204 (= G205), D275 (= D276), L276 (≠ M277), R277 (= R278), G323 (= G321), I324 (≠ V322), N327 (= N325)

4fwmA Crystal structure of salmonella typhimurium propionate kinase (tdcd) in complex with atp (see paper)
35% identity, 95% coverage: 5:374/388 of query aligns to 5:382/394 of 4fwmA

query
sites
4fwmA

F

L

T

V

L

I

N
|
N

T

C

G

G

S

S

V

I

K

K

F

F

S

S

L

V

Y

L

K

D

A

V

H

A

-

T

-

C

D

D

K

V

P

L

E

M

F

A

Y

G

I

I

S

A

G

D

S

G

I

M

E

N

C

T

L

E

G

N

P

A

S

F

A

L

K

S

L

I

K

N

M

G

Q

D

T

K

P

P

I

I

E

N

Q

-

V

-

R

-

E

-

L

L

G

A

P

H

I

S

D

N

H

Y

A

E

S

D

A

A

V

L

P

K

A

A

I

I

F

A

S

F

A

E

L

L

E

E

P

K

F

R

L

D

K

L

G

T

S

D

S

S

V

V

V

A

G

L

I

I

G

G

H

H

R
|
R

I

I

V

A

H

H

G

G

R

E

S

L

F

F

F

T

E

Q

P

S

T

V

E

I

L

I

T

T

P

D

K

E

V

I

M

I

D

D

E

N

L

I

E

R

Q

R

L

V

I

S

P

P

L

L

A

A

P

P

L

L

H

H

Q

N

P

Y

Y

A

S

N

L

L

A

S

T

G

I

I

Q

D

A

A

K

R

Q

H

V

L

F

F

P

P

D

A

A

V

L

R

Q

Q

I

V

G

A

C

V

F

F

D

D

T

T

A

S

F

F

H

H

A

Q

G

T

H

L

S

A

F

P

P

E

N

A

D

Y

A

L

F

Y

A

G

I

L

P

P

R

W

H

E

F

Y

Y

F

E

S

-

L

G

G

V

V

R

R

Y

Y

G

G

F

F

H
|
H

G

G

L

T

S

S

F

H

D

R

A

Y

I

V

C

S

N

R

-

R

-

A

-

Y

E

E

M

L

R

L

D

D

R

L

Y

D

S

E

Q

K

V

-

A

-

N

D

E

S

R

G

L

L

V

I

I

V

A

A

H
|
H

L

L

G

G

N
|
N

G
|
G

A

A

S

S

M

I

C

C

A

A

V

V

N

R

N

N

G

G

H

Q

S

S

I

V

S

D

A

T

S

S

T

M

G

G

F

M

S

T

A

P

V

L

D

E

G

G

L

L

P

M

M

M

G

G

T

T

R
|
R

C

S

G

G

R

D

L

V

D

D

P

F

G

G

V

A

M

M

L

A

Y

W

L

I

M

A

Q

K

E

E

K

T

K

G

L

Q

S

T

P

L

E

S

E

D

I

L

E

E

T

R

I

V

Y

N

R

K

R

E

S

S

G

G

L

L

G

G

L

I

S

S

G

G

I

L

S

S

D
|
D

M
x
L

R
|
R

D

V

L

L

E

E

E

K

S

A

-

W

-

H

-

E

N

G

D

H

P

E

F

R

A

A

I

R

E

L

A

A

I

I

D

K

Y

T

Y

F

C

V

Y

H

Q

R

A

I

R

A

R

R

E

H

V

I

A

A

T

G

M

H

A

A

S

S

L

L

E

H

G

R

I

L

D

D

A

G

L

I

I

I

F

F

S

T

A

G

G
|
G

V
x
I

G

G

E

E

N
|
N

S

S

A

V

L

L

V

I

R

R

S

Q

K

L

I

V

C

I

Q

E

P

H

L

L

A

G

F

V

L

L

G

G

I

L

T

T

I

L

D

D

-

V

-

E

-

M

-

N

Q

K

K

Q

K

P

N

N

T

S

V

H

N

G

A

E

P

R

E

I

I

I

G

S

T

A

G

N

P

P

V

S

R

Q

V

V

F

I

-

C

-

A

I

V

V

I

A

P

T

T

D

N

E
|
E

E

E

Q

K

V

M

I

I

active site: N8 (= N8), R83 (= R86), H172 (= H174), R233 (= R234), E378 (= E370)
binding adenosine-5'-triphosphate: H172 (= H174), H200 (= H201), N203 (= N204), G204 (= G205), D275 (= D276), L276 (≠ M277), R277 (= R278), G323 (= G321), I324 (≠ V322), N327 (= N325)
binding 1,2-ethanediol: H172 (= H174), R233 (= R234)

4fwkA Crystal structure of salmonella typhimurium propionate kinase (tdcd) in complex with amp (see paper)
35% identity, 95% coverage: 5:374/388 of query aligns to 5:382/394 of 4fwkA

query
sites
4fwkA

F

L

T

V

L

I

N
|
N

T

C

G

G

S

S

V

I

K

K

F

F

S

S

L

V

Y

L

K

D

A

V

H

A

-

T

-

C

D

D

K

V

P

L

E

M

F

A

Y

G

I

I

S

A

G

D

S

G

I

M

E

N

C

T

L

E

G

N

P

A

S

F

A

L

K

S

L

I

K

N

M

G

Q

D

T

K

P

P

I

I

E

N

Q

-

V

-

R

-

E

-

L

L

G

A

P

H

I

S

D

N

H

Y

A

E

S

D

A

A

V

L

P

K

A

A

I

I

F

A

S

F

A

E

L

L

E

E

P

K

F

R

L

D

K

L

G

T

S

D

S

S

V

V

V

A

G

L

I

I

G

G

H

H

R
|
R

I

I

V

A

H

H

G

G

R

E

S

L

F

F

F

T

E

Q

P

S

T

V

E

I

L

I

T

T

P

D

K

E

V

I

M

I

D
|
D

E
x
N

L

I

E

R

Q
x
R

L

V

I

S

P

P

L

L

A

A

P

P

L

L

H

H

Q

N

P

Y

Y

A

S

N

L

L

A

S

T

G

I

I

Q

D

A

A

K

R

Q

H

V

L

F

F

P

P

D

A

A

V

L

R

Q

Q

I

V

G

A

C

V

F

F

D

D

T

T

A

S

F

F

H

H

A

Q

G

T

H

L

S

A

F

P

P

E

N

A

D

Y

A

L

F

Y

A

G

I

L

P

P

R

W

H

E

F

Y

Y

F

E

S

-

L

G

G

V

V

R

R

Y

Y

G

G

F

F

H
|
H

G

G

L

T

S

S

F

H

D

R

A

Y

I

V

C

S

N

R

-

R

-

A

-

Y

E

E

M

L

R

L

D

D

R

L

Y

D

S

E

Q

K

V

-

A

-

N

D

E

S

R

G

L

L

V

I

I

V

A

A

H

H

L

L

G
|
G

N
|
N

G

G

A

A

S

S

M

I

C

C

A

A

V

V

N

R

N

N

G

G

H

Q

S

S

I

V

S

D

A

T

S

S

T

M

G

G

F

M

S

T

A

P

V

L

D

E

G

G

L

L

P

M

M

M

G

G

T

T

R
|
R

C

S

G

G

R

D

L

V

D

D

P

F

G

G

V

A

M

M

L

A

Y

W

L

I

M

A

Q

K

E

E

K

T

K

G

L

Q

S

T

P

L

E

S

E

D

I

L

E

E

T

R

I

V

Y

N

R

K

R

E

S

S

G

G

L

L

G

G

L

I

S

S

G

G

I

L

S

S

D
|
D

M
x
L

R
|
R

D

V

L

L

E

E

E

K

S

A

-

W

-

H

-

E

N

G

D

H

P

E

F

R

A

A

I

R

E

L

A

A

I

I

D

K

Y

T

Y

F

C

V

Y

H

Q

R

A

I

R

A

R

R

E

H

V

I

A

A

T

G

M

H

A

A

S

S

L

L

E

H

G

R

I

L

D

D

A

G

L

I

I

I

F

F

S

T

A

G

G
|
G

V
x
I

G

G

E

E

N
|
N

S

S

A

V

L

L

V

I

R

R

S

Q

K

L

I

V

C

I

Q

E

P

H

L

L

A

G

F

V

L

L

G

G

I

L

T

T

I

L

D

D

-

V

-

E

-

M

-

N

Q

K

K

Q

K

P

N

N

T

S

V

H

N

G

A

E

P

R

E

I

I

I

G

S

T

A

G

N

P

P

V

S

R

Q

V

V

F

I

-

C

-

A

I

V

V

I

A

P

T

T

D

N

E
|
E

E

E

Q

K

V

M

I

I

active site: N8 (= N8), R83 (= R86), H172 (= H174), R233 (= R234), E378 (= E370)
binding adenosine monophosphate: G202 (= G203), N203 (= N204), D275 (= D276), L276 (≠ M277), R277 (= R278), G323 (= G321), I324 (≠ V322), N327 (= N325)
binding 1,2-ethanediol: D103 (= D106), N104 (≠ E107), R107 (≠ Q110)

2e1zA Crystal structure of salmonella typhimurium propionate kinase (tdcd) in complex with diadenosine tetraphosphate (ap4a) obtained after co- crystallization with atp (see paper)
35% identity, 95% coverage: 5:374/388 of query aligns to 5:382/394 of 2e1zA

query
sites
2e1zA

F

L

T

V

L

I

N
|
N

T

C

G

G

S

S

V

I

K

K

F

F

S

S

L

V

Y

L

K

D

A

V

H

A

-

T

-

C

D

D

K

V

P

L

E

M

F

A

Y

G

I

I

S

A

G

D

S

G

I

M

E

N

C

T

L

E

G

N

P

A

S

F

A

L

K

S

L

I

K

N

M

G

Q

D

T

K

P

P

I

I

E

N

Q

-

V

-

R

-

E

-

L

L

G

A

P

H

I

S

D

N

H

Y

A

E

S

D

A

A

V

L

P

K

A

A

I

I

F

A

S

F

A

E

L

L

E

E

P

K

F

R

L

D

K

L

G

T

S

D

S

S

V

V

V

A

G

L

I

I

G

G

H

H

R
|
R

I

I

V

A

H

H

G

G

R

E

S

L

F

F

F

T

E

Q

P

S

T

V

E

I

L

I

T

T

P

D

K

E

V

I

M

I

D

D

E

N

L

I

E

R

Q

R

L

V

I

S

P

P

L

L

A

A

P

P

L

L

H
|
H

Q

N

P

Y

Y

A

S

N

L

L

A

S

T

G

I

I

Q

D

A

A

K

R

Q

H

V

L

F

F

P

P

D

A

A

V

L

R

Q

Q

I

V

G

A

C

V

F

F

D

D

T

T

A

S

F

F

H

H

A

Q

G

T

H

L

S

A

F

P

P

E

N

A

D

Y

A

L

F

Y

A

G

I

L

P

P

R

W

H

E

F

Y

Y

F

E

S

-

L

G

G

V

V

R

R

Y

Y

G

G

F

F

H
|
H

G

G

L

T

S

S

F

H

D

R

A

Y

I

V

C

S

N

R

-

R

-

A

-

Y

E

E

M

L

R

L

D

D

R

L

Y

D

S

E

Q

K

V

-

A

-

N

D

E

S

R

G

L

L

V

I

I

V

A

A

H

H

L

L

G
|
G

N
|
N

G
|
G

A

A

S

S

M

I

C

C

A

A

V

V

N

R

N

N

G

G

H

Q

S

S

I

V

S

D

A

T

S

S

T

M

G

G

F

M

S

T

A
x
P

V

L

D

E

G

G

L

L

P

M

M

M

G

G

T

T

R
|
R

C

S

G

G

R

D

L

V

D

D

P

F

G

G

V

A

M

M

L

A

Y

W

L

I

M

A

Q

K

E

E

K

T

K

G

L

Q

S

T

P

L

E

S

E

D

I

L

E

E

T

R

I

V

Y

N

R

K

R

E

S

S

G

G

L

L

G

G

L

I

S

S

G

G

I

L

S

S

D
|
D

M
x
L

R
|
R

D

V

L

L

E

E

E

K

S

A

-

W

-

H

-

E

N

G

D

H

P

E

F

R

A

A

I

R

E

L

A

A

I

I

D

K

Y

T

Y

F

C

V

Y

H

Q

R

A

I

R

A

R

R

E

H

V

I

A

A

T

G

M

H

A

A

S

S

L

L

E

H

G

R

I

L

D

D

A

G

L

I

I

I

F

F

S

T

A

G

G
|
G

V
x
I

G

G

E

E

N
|
N

S

S

A

V

L

L

V

I

R

R

S

Q

K

L

I

V

C

I

Q

E

P

H

L

L

A

G

F

V

L

L

G

G

I

L

T

T

I

L

D

D

-

V

-

E

-

M

-

N

Q

K

K

Q

K

P

N

N

T

S

V

H

N

G

A

E

P

R

E

I

I

I

G

S

T

A

G

N

P

P

V

S

R

Q

V

V

F

I

-

C

-

A

I

V

V

I

A

P

T

T

D

N

E
|
E

E

E

Q

K

V

M

I

I

active site: N8 (= N8), R83 (= R86), H172 (= H174), R233 (= R234), E378 (= E370)
binding bis(adenosine)-5'-tetraphosphate: N8 (= N8), R83 (= R86), H115 (= H118), G202 (= G203), N203 (= N204), G204 (= G205), P224 (≠ A225), R233 (= R234), D275 (= D276), L276 (≠ M277), R277 (= R278), G323 (= G321), I324 (≠ V322), N327 (= N325)

1x3nA Crystal structure of amppnp bound propionate kinase (tdcd) from salmonella typhimurium (see paper)
35% identity, 95% coverage: 5:374/388 of query aligns to 5:382/394 of 1x3nA

query
sites
1x3nA

F

L

T

V

L

I

N
|
N

T

C

G

G

S

S

V

I

K

K

F

F

S

S

L

V

Y

L

K

D

A

V

H

A

-

T

-

C

D

D

K

V

P

L

E

M

F

A

Y

G

I

I

S

A

G

D

S

G

I

M

E

N

C

T

L

E

G

N

P

A

S

F

A

L

K

S

L

I

K

N

M

G

Q

D

T

K

P

P

I

I

E

N

Q

-

V

-

R

-

E

-

L

L

G

A

P

H

I

S

D

N

H

Y

A

E

S

D

A

A

V

L

P

K

A

A

I

I

F

A

S

F

A

E

L

L

E

E

P

K

F

R

L

D

K

L

G

T

S

D

S

S

V

V

V

A

G

L

I

I

G

G

H

H

R
|
R

I

I

V

A

H

H

G

G

R

E

S

L

F

F

F

T

E

Q

P

S

T

V

E

I

L

I

T

T

P

D

K

E

V

I

M

I

D

D

E

N

L

I

E

R

Q

R

L

V

I

S

P

P

L

L

A

A

P

P

L

L

H

H

Q

N

P

Y

Y

A

S

N

L

L

A

S

T

G

I

I

Q

D

A

A

K

R

Q

H

V

L

F

F

P

P

D

A

A

V

L

R

Q

Q

I

V

G

A

C

V

F

F

D

D

T

T

A

S

F

F

H

H

A

Q

G

T

H

L

S

A

F

P

P

E

N

A

D

Y

A

L

F

Y

A

G

I

L

P

P

R

W

H

E

F

Y

Y

F

E

S

-

L

G

G

V

V

R

R

Y

Y

G

G

F

F

H
|
H

G

G

L

T

S

S

F

H

D

R

A

Y

I

V

C

S

N

R

-

R

-

A

-

Y

E

E

M

L

R

L

D

D

R

L

Y

D

S

E

Q

K

V

-

A

-

N

D

E

S

R

G

L

L

V

I

I

V

A

A

H

H

L

L

G
|
G

N
|
N

G
|
G

A

A

S

S

M

I

C

C

A

A

V

V

N

R

N

N

G

G

H

Q

S

S

I

V

S

D

A

T

S

S

T

M

G

G

F

M

S

T

A

P

V

L

D

E

G

G

L

L

P

M

M

M

G

G

T

T

R
|
R

C

S

G

G

R

D

L

V

D

D

P

F

G

G

V

A

M

M

L

A

Y

W

L

I

M

A

Q

K

E

E

K

T

K

G

L

Q

S

T

P

L

E

S

E

D

I

L

E

E

T

R

I

V

Y

N

R

K

R

E

S

S

G

G

L

L

G

G

L

I

S

S

G

G

I

L

S

S

D
|
D

M
x
L

R
|
R

D

V

L

L

E

E

E

K

S

A

-

W

-

H

-

E

N

G

D

H

P

E

F

R

A

A

I

R

E

L

A

A

I

I

D

K

Y

T

Y

F

C

V

Y

H

Q

R

A

I

R

A

R

R

E

H

V

I

A

A

T

G

M

H

A

A

S

S

L

L

E

H

G

R

I

L

D

D

A

G

L

I

I

I

F

F

S

T

A

G

G
|
G

V
x
I

G

G

E

E

N
|
N

S

S

A

V

L

L

V

I

R

R

S

Q

K

L

I

V

C

I

Q

E

P

H

L

L

A

G

F

V

L

L

G

G

I

L

T

T

I

L

D

D

-

V

-

E

-

M

-

N

Q

K

K

Q

K

P

N

N

T

S

V

H

N

G

A

E

P

R

E

I

I

I

G

S

T

A

G

N

P

P

V

S

R

Q

V

V

F

I

-

C

-

A

I

V

V

I

A

P

T

T

D

N

E
|
E

E

E

Q

K

V

M

I

I

active site: N8 (= N8), R83 (= R86), H172 (= H174), R233 (= R234), E378 (= E370)
binding phosphoaminophosphonic acid-adenylate ester: G202 (= G203), N203 (= N204), G204 (= G205), D275 (= D276), L276 (≠ M277), R277 (= R278), G323 (= G321), I324 (≠ V322), N327 (= N325)

1x3mA Crystal structure of adp bound propionate kinase (tdcd) from salmonella typhimurium (see paper)
35% identity, 95% coverage: 5:374/388 of query aligns to 5:382/394 of 1x3mA

query
sites
1x3mA

F

L

T

V

L

I

N
|
N

T

C

G

G

S

S

V

I

K

K

F

F

S

S

L

V

Y

L

K

D

A

V

H

A

-

T

-

C

D

D

K

V

P

L

E

M

F

A

Y

G

I

I

S

A

G

D

S

G

I

M

E

N

C

T

L

E

G

N

P

A

S

F

A

L

K

S

L

I

K

N

M

G

Q

D

T

K

P

P

I

I

E

N

Q

-

V

-

R

-

E

-

L

L

G

A

P

H

I

S

D

N

H

Y

A

E

S

D

A

A

V

L

P

K

A

A

I

I

F

A

S

F

A

E

L

L

E

E

P

K

F

R

L

D

K

L

G

T

S

D

S

S

V

V

V

A

G

L

I

I

G

G

H

H

R
|
R

I

I

V

A

H

H

G

G

R

E

S

L

F

F

F

T

E

Q

P

S

T

V

E

I

L

I

T

T

P

D

K

E

V

I

M

I

D

D

E

N

L

I

E

R

Q

R

L

V

I

S

P

P

L

L

A

A

P

P

L

L

H

H

Q

N

P

Y

Y

A

S

N

L

L

A

S

T

G

I

I

Q

D

A

A

K

R

Q

H

V

L

F

F

P

P

D

A

A

V

L

R

Q

Q

I

V

G

A

C

V

F

F

D

D

T

T

A

S

F

F

H

H

A

Q

G

T

H

L

S

A

F

P

P

E

N

A

D

Y

A

L

F

Y

A

G

I

L

P

P

R

W

H

E

F

Y

Y

F

E

S

-

L

G

G

V

V

R

R

Y

Y

G

G

F

F

H
|
H

G

G

L

T

S

S

F

H

D

R

A

Y

I

V

C

S

N

R

-

R

-

A

-

Y

E

E

M

L

R

L

D

D

R

L

Y

D

S

E

Q

K

V

-

A

-

N

D

E

S

R

G

L

L

V

I

I

V

A

A

H

H

L

L

G
|
G

N
|
N

G

G

A

A

S

S

M

I

C

C

A

A

V

V

N

R

N

N

G

G

H

Q

S

S

I

V

S

D

A

T

S

S

T

M

G

G

F

M

S

T

A

P

V

L

D

E

G

G

L

L

P

M

M

M

G

G

T

T

R
|
R

C

S

G

G

R

D

L

V

D

D

P

F

G

G

V

A

M

M

L

A

Y

W

L

I

M

A

Q

K

E

E

K

T

K

G

L

Q

S

T

P

L

E

S

E

D

I

L

E

E

T

R

I

V

Y

N

R

K

R

E

S

S

G

G

L

L

G

G

L

I

S

S

G

G

I

L

S

S

D
|
D

M
x
L

R
|
R

D

V

L

L

E

E

E

K

S

A

-

W

-

H

-

E

N

G

D

H

P

E

F

R

A

A

I

R

E

L

A

A

I

I

D

K

Y

T

Y

F

C

V

Y

H

Q

R

A

I

R

A

R

R

E

H

V

I

A

A

T

G

M

H

A

A

S

S

L

L

E

H

G

R

I

L

D

D

A

G

L

I

I

I

F

F

S

T

A
x
G

G
|
G

V
x
I

G

G

E

E

N
|
N

S

S

A

V

L

L

V

I

R

R

S

Q

K

L

I

V

C

I

Q

E

P

H

L

L

A

G

F

V

L

L

G

G

I

L

T

T

I

L

D

D

-

V

-

E

-

M

-

N

Q

K

K

Q

K

P

N

N

T

S

V

H

N

G

A

E

P

R

E

I

I

I

G

S

T

A

G

N

P

P

V

S

R

Q

V

V

F

I

-

C

-

A

I

V

V

I

A

P

T

T

D

N

E
|
E

E

E

Q

K

V

M

I

I

active site: N8 (= N8), R83 (= R86), H172 (= H174), R233 (= R234), E378 (= E370)
binding adenosine-5'-diphosphate: G202 (= G203), N203 (= N204), D275 (= D276), L276 (≠ M277), R277 (= R278), G322 (≠ A320), G323 (= G321), I324 (≠ V322), N327 (= N325)

9dv9A The amp-bound structure of acka from treponema vincentii (see paper)
34% identity, 95% coverage: 5:374/388 of query aligns to 8:396/453 of 9dv9A

query
sites
9dv9A

F

L

T

T

L

L

N

N

T

C

G

G

S

S

V

V

K

K

F

Y

S

Q

L

V

Y

Y

K

D

A

-

H

W

D

D

K

N

P

H

E

S

F

V

Y

L

I

A

S

S

G

G

S

V

I

V

E

E

-

R

C

V

L

T

G

Q

P

P

S

G

A

S

K

V

L

I

K

T

M

H

Q

E

T

A

P

K

I

G

E

K

Q

D

V

K

R

Y

R

V

E

L

L

E

G

S

P

P

I

C

-

P

D

S

H

H

A

T

S

H

A

A

V

V

P

E

A

L

I

I

F

I

S

K

A

T

L

L

E

T

P

D

F

P

L

S

K

V

G

G

-

V

-

I

-

T

-

D

-

M

S

N

S

V

V

I

V

K

G

A

I

V

G

G

H

H

R

R

I

V

V

T

H

H

G

G

R

D

S

K

F

F

F

I

E

K

P

S

T

V

E

I

L

V

T

T

P

P

K

E

V

I

M

L

D

N

E

T

L

F

E

R

Q

E

L

V

I

Q

P

D

L

L

A

G

P

P

L

L

H

H

Q

N

P

P

Y

A

S

N

L

I

A

M

T

G

I

I

Q

E

A

A

K

Q

Q

K

V

V

F

L

P

P

D

N

A

V

L

P

Q

H

I

C

G

A

C

I

F

I

D

D

T

T

A

A

F

W

H

H

A

-

G

-

H

Q

S

T

F

M

P

P

N

E

D

T

A

S

F

F

-

M

-

Y

A

A

I

I

P

P

R

H

H

E

F

W

Y

Y

E

E

E

K

-

Y

G

S

V

A

R

R

Y

Y

G

G

F

F

H

H

G

G

L

T

S

S

F

F

D

L

A

Y

I

T

C

A

N

K

E

R

M

A

R

A

D

V

R

I

Y

L

S

G

Q

K

V

K

A

P

N

E

E

D

-

T

R

N

L

I

V

I

I

I

A

A

H

H

L

I

G
|
G

N

N

G

G

A

A

S

S

M

M

C

C

A

C

V

V

N

K

N

Q

G

G

H

K

S

C

I

F

S

D

A

T

S

S

T

M

G

G

F

L

S

T

A

P

V

L

D

E

G

G

L

L

P

V

M

M

G

G

T

T

R

R

C

S

G

G

R

D

L

C

D

D

P

P

G

A

V

L

M

P

L

F

Y

Y

L

I

M

M

Q

R

E

K

K

T

K

G

L

M

S

T

P

P

E

A

E

E

I

M

E

D

T

T

I

A

I

L

Y

N

R

K

S

S

G

G

L

L

G

G

L

V

S

T

G

G

I

Q

S

Y

S

V

D
|
D

M
x
R

R
|
R

D

D

L

V

E

S

E

K

S

A

-

M

-

G

-

E

N

G

D

D

P

K

F

R

A

A

I

R

E

L

A

A

I

F

D

N

Y

M

Y

E

C

V

Y

Y

Q

R

A

L

R

Q

R

K

E

Y

V

F

A

G

T

A

M

Y

A

I

A

A

S

A

L

L

-

G

E

Q

G

K

I

P

D

D

A

A

L

I

I

V

F

F

S

T

A
|
A

G
|
G

V

V

G

G

E

E

N
x
F

S

G

A

F

L

D

V

T

R

R

S

L

K

A

I

V

C

C

Q

E

P

G

L

L

A

T

F

H

L

L

G

G

I

I

T

K

I

I

D

D

Q

P

K

K

N

N

-

A

-

L

-

A

-

R

T

T

V

R

N

N

A

A

P

E

E

T

I

C

-

I

-

S

-

A

G

D

T

D

G

S

P

P

V

V

R

K

V

I

F

F

I

V

V

I

A

P

T

T

D

D

E

E

Q

L

V

V

I

M

binding adenosine monophosphate: G214 (= G203), D287 (= D276), R288 (≠ M277), R289 (= R278), A335 (= A320), G336 (= G321), F340 (≠ N325)

4iz9A Crystal structure of an acetate kinase from mycobacterium avium bound to an unknown acid-apcpp conjugate and manganese (see paper)
33% identity, 96% coverage: 5:376/388 of query aligns to 7:373/381 of 4iz9A

query
sites
4iz9A

F

L

T

V

L

I

N
|
N

T

S

G

G

S

S

V

L

K
|
K

F

F

S

Q

L

L

Y

V

K

D

A

-

H

-

D

-

K

-

P

P

E

E

F

S

Y

G

I

V

-

A

-

S

S

T

G

G

S

I

I

V

E

E

C

R

L

I

G

G

P

-

S

-

A

-

K

-

L

-

K

-

M

-

Q

E

T

S

P

P

I

V

E

P

Q

-

V

-

R

-

E

-

L

-

G

-

P

-

I

-

D

D

H

H

A

D

S

A

A

A

V

L

P

R

A

R

I

A

F

F

S

D

A

M

L

L

E

A

P

G

F

D

-

G

-

V

-

D

L

L

K

N

G

T

S

A

S

G

V

L

V

V

G

A

I

V

G

G

H

H

R
|
R

I

V

V

V

H

H

G

G

R

N

S

T

F

F

F

Y

E

R

P

P

T

T

E

V

L

L

T

D

P

D

K

A

V

V

M

I

D

A

E

R

L

L

E

H

Q

E

L

L

I

S

P

E

L

L

A

A

P

P

L

L

H

H

Q

N

P

P

Y

P

S

A

L

L

A

L

T

G

I

I

Q

E

A

V

A

A

K

R

Q

R

V

L

F

L

P

P

D

G

A

I

L

A

Q

H

I

V

G

A

C

V

F

F

D

D

T

T

A

G

F

F

H

F

A

-

G

-

H

H

S

D

F

L

P

P

N

P

D

A

A

A

-

A

-

T

F

Y

A

A

I

I

P

D

R

R

H

E

F

L

Y

A

E

D

E

R

G

W

-

Q

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I

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R

Y

Y

G

G

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F

H
|
H

G

G

L

T

S

S

F

H

D

R

A

Y

I

V

C

S

N

E

E

Q

-

A

M

F

R

L

D

D

R

R

Y

-

S

-

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P

V

L

A

R

N

G

E

L

R

K

L

Q

V

I

I

V

A

L

H

H

L

L

G
|
G

N
|
N

G

G

A

C

S

S

M

A

C

S

A

A

V

I

N

A

N

G

G

T

H

R

S

P

I

L

S

D

A

T

S

S

T

M

G

G

F

L

S

T

A

P

V

L

D

E

G

G

L

L

P

V

M

M

G

G

T

T

R
|
R

C

S

G

G

R

D

L

I

D

D

P

P

G

S

V

V

M

V

L

S

Y

Y

L

L

M

C

Q

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K

A

K

G

L

M

S

G

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V

E

D

I

V

E

E

T

S

I

M

I

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Y

N

R

H

R

R

S

S

G

G

L

V

G

G

L

L

S

S

G

G

I

V

S

R

S
x
D

-
x
F

-
x
R

D

R

M

L

R

R

D

E

L

L

E

I

E

E

S

S

N

G

D

D

P

G

F

A

A

A

I

Q

E

L

A

A

I

Y

D

S

Y

V

Y

F

C

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Y

H

Q

R

A

L

R

R

R

K

E

Y

V

I

A

G

T

A

M

Y

A

L

A

A

S

V

L

L

E

G

G

H

I

T

D

D

A

V

L

I

I

S

F

F

S

T

A

A

G
|
G

V
x
I

G

G

E

E

N
|
N

S
x
D

A

A

L

A

V

V

R

R

S

R

K

D

I

A

C

V

Q

S

P

G

L

M

A

E

F

E

L

L

G

G

I

I

T

V

I

L

D

D

Q

E

K

R

N

N

T

L

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P

N

G

A

A

P

K

-

G

-

A

-

R

-

Q

-

I

E

S

I

A

G

D

T

D

G

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P

P

V

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R

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V

A

P

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N

E
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E

E

E

Q

L

V

A

I

I

V

A

R

R

active site: N10 (= N8), R74 (= R86), H163 (= H174), R224 (= R234), E367 (= E370)
binding diphosphomethylphosphonic acid adenosyl ester: K17 (= K15), G193 (= G203), N194 (= N204), D265 (≠ S275), F266 (vs. gap), R267 (vs. gap), G313 (= G321), I314 (≠ V322), N317 (= N325), D318 (≠ S326)

1sazA Membership in the askha superfamily: enzymological properties and crystal structure of butyrate kinase 2 from thermotoga maritima (see paper)
26% identity, 44% coverage: 169:340/388 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

L

L

S

N

F

Q

D

K

A

T

I

V

C

A

N

K

E

E

-

V

-

A

-

R

-

M

M

M

R

N

D

K

R

R

Y

Y

S

E

Q

E

V

M

A

-

N

-

E

-

R

N

L

L

V

V

I

V

A

A

H

H

L

M

G
|
G

N
x
G

G
|
G

A

I

S

S

M

I

C

A

A

A

V

H

N

R

N

K

G

G

H

R

S

V

I

I

S

D

A

V

S

N

T

N

G

A

F

L

S

D

A

G

V

-

D

D

G

G

L

P

P

F

M

T

G

P

T

E

R
|
R

C

S

G

G

R

T

L

L

D

P

P

L

G

T

V

Q

M

L

L

V

Y

D

L

L

M

C

Q

F

E

S

K

G

K

K

L

F

S

T

P

Y

E

E

I

M

E

K

T

K

I

R

I

I

Y

V

R

G

R

N

S

G

G

G

L

L

L

V

G

A

L

Y

S

L

G

G

I

-

S

T

S
|
S

D
|
D

M
x
A

R
|
R

D

E

L

V

E

V

-

R

-

I

E

K

S

Q

N

G

D

D

P

E

F

W

A

A

I

K

E

R

A

V

I

Y

D

R

Y

A

Y

M

C

A

Y

Y

Q

Q

A

I

R

A

R

K

E

W

V

I

A

G

T

K

M

M

A

A

S

V

L

L

E

K

G

G

-

E

I

V

D

D

A

F

L

I

I

V

F

L

S

T

A

G

G
|
G

V
x
L

G

A

E
x
H

N

E

S

K

A

E

L

F

V

L

R

V

S

P

K

W

I

I

C

T

Q

K

P

R

L

V

A

S

F

F

L

I

active site: R214 (= R234)
binding phosphomethylphosphonic acid adenylate ester: H154 (= H174), G184 (= G203), G185 (≠ N204), G186 (= G205), S254 (= S275), D255 (= D276), A256 (≠ M277), R257 (= R278), G304 (= G321), L305 (≠ V322), H307 (≠ E324)

Query Sequence

>WP_068006986.1 NCBI__GCF_001623255.1:WP_068006986.1
MSFYFTLNTGSSSVKFSLYKAHDKPEFYISGSIECLGPSAKLKMQTPIEQVRRELGPIDH
ASAVPAIFSALEPFLKGSSVVGIGHRIVHGGRSFFEPTELTPKVMDELEQLIPLAPLHQP
YSLATIQAAKQVFPDALQIGCFDTAFHAGHSFPNDAFAIPRHFYEEGVRRYGFHGLSFDA
ICNEMRDRYSQVANERLVIAHLGNGASMCAVNNGHSISASTGFSAVDGLPMGTRCGRLDP
GVMLYLMQEKKLSPEEIETIIYRRSGLLGLSGISSDMRDLEESNDPFAIEAIDYYCYQAR
REVATMAASLEGIDALIFSAGVGENSALVRSKICQPLAFLGITIDQKKNTVNAPEIGTGP
VRVFIVATDEEQVIVRAVAQAHSKSQVS

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