SitesBLAST

R126 (= R126) binding substrate; mutation to A: 10-fold decrease of fumarase activity.
K127 (= K127) mutation to D: No effect.
H129 (= H129) mutation to N: No effect on fumarase activity and essentially same conformation compared to the wild-type, but appears to dramatically reduce binding of ligands at the B-site.
HPND 129:132 (= HPND 129:132) binding in site B
SSN 139:141 (= SSN 139:141) binding substrate
H188 (= H188) active site, Proton donor/acceptor; mutation to N: 200-fold decrease of fumarase activity.
E315 (= E315) mutation to Q: There is essentially no effect on the affinity values for both S-malate and fumarate. In contrast, the catalytic efficiency values have been lowered by 10-fold in both directions.

1fupA Fumarase with bound pyromellitic acid (see paper)
82% identity, 98% coverage: 5:459/466 of query aligns to 1:455/455 of 1fupA

query
sites
1fupA

R

R

V

S

E

E

R

K

D

D

S

S

M

M

G

G

D

A

I

I

D

D

V

V

P

P

Q

A

A

D

R

K

L

L

W

W

G

G

A

A

Q

Q

T

T

Q

Q

R

R

S

S

L

L

E

E

H

H

F

F

R

R

I

I

S

S

V

T

E

E

K

K

M

M

P

P

Q

T

A

S

L

L

I

I

D

H

A

A

L

L

A

A

V

L

V

T

K

K

K

R

A

A

Q

K

V

V

N

N

L

E

D

D

L

L

G

G

L

L

S

S

E

E

K

K

A

A

E

S

A

A

I

I

M

R

Q

Q

A

A

Q

D

E

E

V

V

I

L

D

A

G

G

F

Q

R

H

Y

D

Q

D

E

E

F

F

P

P

L

L

A

A

V

I

W

W

Q

Q

T

T

G

G

S

S

G

G

T
|
T

Q

Q

S

S

N

N

M

M

N

N

M

M

N
|
N

E

E

V

V

L

L

A

A

N

N

R

R

A

A

S

S

E

E

L

L

G

G

E

V

R

R

G

G

N

M

E

E

R

R

K

K

V

V

H

H

P

P

N

N

D

D

V

V

N

N

K

K

S

S

Q

Q

S
|
S

N

N

D

D

V

V

F

F

P

P

T

T

A

A

M

M

H

H

V

V

A

A

V

L

A

A

I

L

R

R

Q

K

Q

Q

L

L

L

I

P

P

Q

Q

M

L

D

K

V

T

L

L

I

T

Q

Q

T

T

L

L

Q

N

E

E

K

K

S

S

D

R

Q

A

F

F

R

A

H

D

I

I

V

V

K

K

I

I

G

G

R

R

T
|
T

H
|
H

L

L

Q

Q

D

D

A

A

T

T

P

P

L

L

T

T

L

L

G

G

Q

Q

E

E

I

I

S

S

G

G

W

W

V

V

A

A

M

M

L

L

V

E

H

H

S

N

K

L

K

K

H

H

I

I

E

E

Y

Y

G

S

L

L

E

P

H

H

L

V

Y

A

E

E

L

L

A

A

L

L

G

G

T

T

A

A

V

V

G

G

T

T

G

G

L

L

N

N

T

T

H

H

P

P

E

E

Y

Y

A

A

V

R

R

R

V

V

A

A

K

D

A

E

I

L

A

A

Q

V

L

I

S

T

G

C

C

A

D

P

F

F

V

V

T

T

A

A

P

P

N

N

K

K

F

F

E

E

A

A

L

L

A

A

S

T

C

C

D

D

G

A

L

L

V

V

Q

Q

A

A

H

H

G

G

A

A

L

L

K

K

G

G

L

L

A

A

S

S

M

L

M

M

K

K

I

I

A

A

N

N

D

D

V

V

R

R

W

W

L

L

A

A

S

S

G

G

P

P

R

R

C

C

G

G

I

I

G

G

E

E

I

I

S

S

I

I

P

P

E

E

N

N

E

E

P

P

G

G

S
|
S

S

S

I

I

M

M

P

P

G

G

K
|
K

V

V

N

N

P

P

T

T

Q

Q

C

C

E
|
E

A

A

V

L

T

T

M

M

L

L

C

C

A

C

Q

Q

V

V

M

M

G

G

N

N

D

D

V

V

A

A

V

I

N

N

I

M

G

G

A

A

S

S

G

G

N

N

F

F

E

E

L

L

N

N

V

V

F

F

R

R

P

P

L

M

V

V

I

I

H

H

N

N

F

F

L

L

Q

Q

S

S

V

V

R

R

L

L

A

A

D

D

G

G

I

M

E

E

S

S

F

F

N

N

E

K

H

H

C

C

A

A

R

V

G

G

I

I

E

E

P

P

N

N

R

R

P

E

R

R

I

I

N

N

Q

Q

L

L

N

N

E

E

S

S

L

L

M

M

L

L

V

V

T

T

A

A

L

L

N

N

T

T

H

H

I

I

G

G

Y

Y

D

D

K

K

A

A

E

E

I

I

A

A

K

K

A

A

H

H

H

K

E

E

G

G

L

L

T

T

L

L

K

K

E

A

S

A

A

A

L

L

M

A

L

L

G

G

Y

Y

V

L

T

S

A

E

A

A

Q

E

F

F

D

D

E

S

W

W

V

V

R

R

P

P

Q

E

D

Q

M

M

active site: N103 (= N107), T183 (= T187), H184 (= H188), S314 (= S318), K320 (= K324), E327 (= E331)
binding pyromellitic acid: T96 (= T100), S135 (= S139), S136 (= S140)

1fuqA Fumarase with bound 3-trimethylsilylsuccinic acid (see paper)
82% identity, 98% coverage: 4:459/466 of query aligns to 1:456/456 of 1fuqA

query
sites
1fuqA

M

V

R

R

V

S

E

E

R

K

D

D

S

S

M

M

G

G

D

A

I

I

D

D

V

V

P

P

Q

A

A

D

R

K

L

L

W

W

G

G

A

A

Q

Q

T

T

Q

Q

R

R

S

S

L

L

E

E

H

H

F

F

R

R

I

I

S

S

V

T

E

E

K

K

M

M

P

P

Q

T

A

S

L

L

I

I

D

H

A

A

L

L

A

A

V

L

V

T

K

K

K

R

A

A

Q

K

V

V

N

N

L

E

D

D

L

L

G

G

L

L

S

S

E

E

K

K

A

A

E

S

A

A

I

I

M

R

Q

Q

A

A

Q

D

E

E

V

V

I

L

D

A

G

G

F

Q

R

H

Y

D

Q

D

E

E

F

F

P

P

L

L

A

A

V

I

W

W

Q

Q

T

T

G

G

S

S

G

G

T
|
T

Q

Q

S

S

N

N

M

M

N

N

M

M

N
|
N

E

E

V

V

L

L

A

A

N

N

R

R

A

A

S

S

E

E

L

L

G

G

E

V

R

R

G

G

N

M

E

E

R
|
R

K

K

V

V

H
|
H

P
|
P

N
|
N

D
|
D

D

D

V

V

N

N

K

K

S

S

Q

Q

S
|
S

N
|
N

D

D

V

V

F

F

P

P

T

T

A

A

M

M

H

H

V

V

A

A

V

L

A

A

I

L

R

R

Q

K

Q

Q

L

L

L

I

P

P

Q

Q

M

L

D

K

V

T

L

L

I

T

Q

Q

T

T

L

L

Q

N

E

E

K

K

S

S

D

R

Q

A

F

F

R

A

H

D

I

I

V

V

K

K

I

I

G

G

R

R

T
|
T

H
|
H

L

L

Q

Q

D

D

A

A

T

T

P

P

L

L

T

T

L

L

G

G

Q

Q

E

E

I

I

S

S

G

G

W

W

V

V

A

A

M

M

L

L

V

E

H

H

S

N

K

L

K

K

H

H

I

I

E

E

Y

Y

G

S

L

L

E

P

H

H

L

V

Y

A

E

E

L

L

A

A

L

L

G

G

T

T

A

A

V

V

G

G

T

T

G

G

L

L

N

N

T

T

H

H

P

P

E

E

Y

Y

A

A

V

R

R

R

V

V

A

A

K

D

A

E

I

L

A

A

Q

V

L

I

S

T

G

C

C

A

D

P

F

F

V

V

T

T

A

A

P

P

N

N

K

K

F

F

E

E

A

A

L

L

A

A

S

T

C

C

D

D

G

A

L

L

V

V

Q

Q

A

A

H

H

G

G

A

A

L

L

K

K

G

G

L

L

A

A

S

S

M

L

M

M

K

K

I

I

A

A

N

N

D

D

V

V

R

R

W

W

L

L

A

A

S

S

G

G

P

P

R

R

C

C

G

G

I

I

G

G

E

E

I

I

S

S

I

I

P

P

E

E

N

N

E

E

P

P

G

G

S
|
S

S

S

I

I

M

M

P

P

G

G

K
|
K

V

V

N

N

P

P

T

T

Q

Q

C

C

E
|
E

A

A

V

L

T

T

M

M

L

L

C

C

A

C

Q

Q

V

V

M

M

G

G

N

N

D

D

V

V

A

A

V

I

N

N

I

M

G

G

A

A

S

S

G

G

N

N

F

F

E

E

L

L

N

N

V

V

F

F

R

R

P

P

L

M

V

V

I

I

H

H

N

N

F

F

L

L

Q

Q

S

S

V

V

R

R

L

L

A

A

D

D

G

G

I

M

E

E

S

S

F

F

N

N

E

K

H

H

C

C

A

A

R

V

G

G

I

I

E

E

P

P

N

N

R

R

P

E

R

R

I

I

N

N

Q

Q

L

L

N

N

E

E

S

S

L

L

M

M

L

L

V

V

T

T

A

A

L

L

N

N

T

T

H

H

I

I

G

G

Y

Y

D

D

K

K

A

A

E

E

I

I

A

A

K

K

A

A

H

H

H

K

E

E

G

G

L

L

T

T

L

L

K

K

E

A

S

A

A

A

L

L

M

A

L

L

G

G

Y

Y

V

L

T

S

A

E

A

A

Q

E

F

F

D

D

E

S

W

W

V

V

R

R

P

P

Q

E

D

Q

M

M

active site: N104 (= N107), T184 (= T187), H185 (= H188), S315 (= S318), K321 (= K324), E328 (= E331)
binding citric acid: T97 (= T100), S136 (= S139), S137 (= S140), N138 (= N141)
binding 3-trimethylsilylsuccinic acid: R123 (= R126), H126 (= H129), P127 (= P130), N128 (= N131), D129 (= D132)

1fuoA FumarasE C with bound citrate (see paper)
82% identity, 98% coverage: 4:459/466 of query aligns to 1:456/456 of 1fuoA

query
sites
1fuoA

M

V

R

R

V

S

E

E

R

K

D

D

S

S

M

M

G

G

D

A

I

I

D

D

V

V

P

P

Q

A

A

D

R

K

L

L

W

W

G

G

A

A

Q

Q

T

T

Q

Q

R

R

S

S

L

L

E

E

H

H

F

F

R

R

I

I

S

S

V

T

E

E

K

K

M

M

P

P

Q

T

A

S

L

L

I

I

D

H

A

A

L

L

A

A

V

L

V

T

K

K

K

R

A

A

Q

K

V

V

N

N

L

E

D

D

L

L

G

G

L

L

S

S

E

E

K

K

A

A

E

S

A

A

I

I

M

R

Q

Q

A

A

Q

D

E

E

V

V

I

L

D

A

G

G

F

Q

R

H

Y

D

Q

D

E

E

F

F

P

P

L

L

A

A

V

I

W

W

Q

Q

T

T

G

G

S

S

G

G

T
|
T

Q

Q

S

S

N

N

M

M

N

N

M

M

N
|
N

E

E

V

V

L

L

A

A

N

N

R

R

A

A

S

S

E

E

L

L

G

G

E

V

R

R

G

G

N

M

E

E

R

R

K

K

V

V

H

H

P

P

N

N

D

D

V

V

N

N

K

K

S

S

Q

Q

S
|
S

N
|
N

D

D

V

V

F

F

P

P

T

T

A

A

M

M

H

H

V

V

A

A

V

L

A

A

I

L

R

R

Q

K

Q

Q

L

L

L

I

P

P

Q

Q

M

L

D

K

V

T

L

L

I

T

Q

Q

T

T

L

L

Q

N

E

E

K

K

S

S

D

R

Q

A

F

F

R

A

H

D

I

I

V

V

K

K

I

I

G

G

R

R

T
|
T

H
|
H

L

L

Q

Q

D

D

A

A

T

T

P

P

L

L

T

T

L

L

G

G

Q

Q

E

E

I

I

S

S

G

G

W

W

V

V

A

A

M

M

L

L

V

E

H

H

S

N

K

L

K

K

H

H

I

I

E

E

Y

Y

G

S

L

L

E

P

H

H

L

V

Y

A

E

E

L

L

A

A

L

L

G

G

T

T

A

A

V

V

G

G

T

T

G

G

L

L

N

N

T

T

H

H

P

P

E

E

Y

Y

A

A

V

R

R

R

V

V

A

A

K

D

A

E

I

L

A

A

Q

V

L

I

S

T

G

C

C

A

D

P

F

F

V

V

T

T

A

A

P

P

N

N

K

K

F

F

E

E

A

A

L

L

A

A

S

T

C

C

D

D

G

A

L

L

V

V

Q

Q

A

A

H

H

G

G

A

A

L

L

K

K

G

G

L

L

A

A

S

S

M

L

M

M

K

K

I

I

A

A

N

N

D

D

V

V

R

R

W

W

L

L

A

A

S

S

G

G

P

P

R

R

C

C

G

G

I

I

G

G

E

E

I

I

S

S

I

I

P

P

E

E

N

N

E

E

P

P

G

G

S
|
S

S

S

I

I

M

M

P

P

G

G

K
|
K

V

V

N

N

P

P

T

T

Q

Q

C

C

E
|
E

A

A

V

L

T

T

M

M

L

L

C

C

A

C

Q

Q

V

V

M

M

G

G

N

N

D

D

V

V

A

A

V

I

N

N

I

M

G

G

A

A

S

S

G

G

N

N

F

F

E

E

L

L

N

N

V

V

F

F

R

R

P

P

L

M

V

V

I

I

H

H

N

N

F

F

L

L

Q

Q

S

S

V

V

R

R

L

L

A

A

D

D

G

G

I

M

E

E

S

S

F

F

N

N

E

K

H

H

C

C

A

A

R

V

G

G

I

I

E

E

P

P

N

N

R

R

P

E

R

R

I

I

N

N

Q

Q

L

L

N

N

E

E

S

S

L

L

M

M

L

L

V

V

T

T

A

A

L

L

N

N

T

T

H

H

I

I

G

G

Y

Y

D

D

K

K

A

A

E

E

I

I

A

A

K

K

A

A

H

H

H

K

E

E

G

G

L

L

T

T

L

L

K

K

E

A

S

A

A

A

L

L

M

A

L

L

G

G

Y

Y

V

L

T

S

A

E

A

A

Q

E

F

F

D

D

E

S

W

W

V

V

R

R

P

P

Q

E

D

Q

M

M

active site: N104 (= N107), T184 (= T187), H185 (= H188), S315 (= S318), K321 (= K324), E328 (= E331)
binding citric acid: T97 (= T100), S136 (= S139), S137 (= S140), N138 (= N141)

7c18B Crystal structure of fumarasec from mannheimia succiniciproducens in complex with fumarate
59% identity, 99% coverage: 2:462/466 of query aligns to 1:462/464 of 7c18B

query
sites
7c18B

T

T

A

A

M

F

R

R

V

I

E

E

R

K

D

D

S

T

M

M

G

G

D

E

I

V

D

Q

V

V

P

P

Q

A

A

D

R

K

L

Y

W

W

G

A

A

A

Q

Q

T

T

Q

E

R

R

S

S

L

R

E

N

H

N

F

F

R

K

I

I

S

G

-

P

V

A

E

A

K

S

M

M

P

P

Q

H

A

E

L

I

I

I

D

E

A

A

L

F

A

G

V

Y

V

L

K

K

A

A

Q

F

V

A

N

N

L

T

D

D

L

L

G

G

L

V

L

L

S

P

E

A

E

E

K

K

A

R

E

D

A

L

I

I

M

G

Q

Q

A

A

A

C

Q

D

E

E

V

I

I

L

D

A

G

R

F

K

R

L

Y

D

Q

D

E

Q

F

F

P

P

L

L

A

V

V

I

W

W

Q

Q

T

T

G

G

S

S

G

G

T
|
T

Q

Q

S

S

N

N

M

M

N

N

M

L

N

N

E

E

V

V

L

I

A

A

N

N

R

R

A

A

S

H

E

V

L

I

L

N

G

G

E

K

R

L

G

G

N

E

E

K

R

S

K

I

V

I

H

H

P

P

N

N

D

D

V

V

N

N

K

K

S

S

Q

Q

S
|
S

N
|
N

D

D

V

T

F

Y

P

P

T

T

A

A

M

M

H

H

V

I

A

A

V

Y

V

K

A

K

I

V

R

V

Q

E

Q

A

L

T

L

I

P

P

Q

A

M

V

D

E

V

R

L

L

I

Q

Q

K

T

T

L

L

Q

A

E

A

K

K

S

A

D

A

Q

E

F

F

R

K

H

D

I

V

V

V

K

K

I

I

G

G

R

R

T
|
T

H
|
H

L

L

Q

M

D

D

A

A

T

T

P

P

L

L

T

T

L

L

G

G

Q

Q

E

E

I

F

S

S

G

G

W

Y

V

A

A

A

M

Q

L

L

V

S

H

F

S

G

K

L

K

T

H

A

I

I

E

K

Y

N

G

T

L

L

E

P

H

H

L

L

Y

R

E

Q

L

L

A

A

L

L

G

G

T

T

A

A

V

V

G

G

T

T

G

G

L

L

N

N

T

T

H

P

P

K

E

G

Y

Y

A

D

V

V

R

K

V

V

A

A

K

E

A

Y

I

I

A

A

Q

K

L

F

S

T

G

G

C

L

D

P

F

F

V

I

T

T

A

A

P

E

N

N

K

K

F

F

E

E

A

A

L

L

A

A

S

T

C

H

D

D

G

A

L

I

V

V

Q

E

A

T

H

H

G

G

A

A

L

L

K

K

G

Q

L

V

A

A

A

M

S

S

M

L

M

F

K

K

I

I

A

A

N

N

D

D

V

I

R

R

W

L

L

L

A

A

S

S

G

G

P

P

R

R

C

S

G

G

I

I

G

G

E

E

I

I

S

L

I

I

P

P

E

E

N

N

E

E

P

P

G

G

S
x
C

S
|
S

I

I

M
|
M

P

P

G

G

K
|
K

V

V

N
|
N

P

P

T

T

Q

Q

C

C

E

E

A

A

V

M

T

T

M

M

L

V

C

A

A

A

Q

Q

V

V

M

L

G

G

N

N

D

D

V

T

A

T

V

I

N

S

I

F

G

A

G

G

A

S

S

Q

G

G

N

H

F

F

E

E

L

L

N

N

V

V

F

F

R

K

P

P

L

V

V

M

I

A

H

A

N

N

F

F

L

L

Q

Q

S

S

V

A

R

Q

L

L

L

I

A

A

D

D

G

V

I

C

E

I

S

S

F

F

N

D

E

E

H

H

C

C

A

A

R

T

G

G

I

I

E

Q

P

P

N

N

R

T

P

P

R

R

I

I

N

Q

Q

H

L

L

N

D

E

S

S

S

L

L

M

M

L

L

V

V

T

T

A

A

L

L

N

N

T

T

H

H

I

I

G

G

Y

Y

D

E

K

N

A

A

E

K

I

I

A

A

K

K

K

T

A

A

H

H

H

K

E

N

G

G

L

T

T

T

L

L

K

R

E

E

S

E

A

A

L

I

M

N

L

L

G

G

Y

L

V

V

T

S

A

A

A

E

Q

D

F

F

D

D

E

K

W

W

V

V

R

V

P

P

Q

A

D

D

M

M

V

V

G

G

S

S

binding fumaric acid: T100 (= T100), S139 (= S139), S140 (= S140), N141 (= N141), T187 (= T187), H188 (= H188), C318 (≠ S318), S319 (= S319), M321 (= M321), K324 (= K324), N326 (= N326)

7lubB Crystal structure of recombinant human fumarase in complex with d-2- amino-3-phosphono-propionic acid (see paper)
60% identity, 98% coverage: 3:461/466 of query aligns to 1:460/462 of 7lubB

query
sites
7lubB

A

S

M

F

R

R

V

I

E

E

R

Y

D

D

S

T

M

F

G

G

D

E

I

L

D

K

V

V

P

P

Q

N

A

D

R

K

L

Y

W

Y

G

G

A

A

Q

Q

T

T

Q

V

R

R

S

S

L

T

E

M

H

N

F

F

R

K

I

I

S

G

-

G

-

V

V

T

E

E

K

R

M

M

P

P

Q

T

A

P

L

V

I

I

D

K

A

A

L

F

A

G

V

I

V

L

K

K

K

R

A

A

Q

E

V

V

N

N

L

Q

D

D

L

Y

G

G

L

L

L

-

S

D

E

P

E

K

K

I

A

A

E

N

A

A

I

I

M

M

Q

K

A

A

Q

D

E

E

V

V

I

A

D

E

G

G

F

K

R

L

Y

N

Q

D

E

H

F

F

P

P

L

L

A

V

V

V

W

W

Q

Q

T

T

G

G

S

S

G

G

T

T

Q

Q

S

T

N

N

M

M

N

N

M

V

N

N

E

E

V

V

L

I

A

S

N

N

R

R

A

A

S

I

E

E

L

M

L

L

G

G

E

E

R

L

G

G

N

S

E

K

R

I

K

P

V

V

H

H

P

P

N

N

D

D

D

H

V

V

N

N

K

K

S

S

Q

Q

S

S

N

N

D

D

V

T

F

F

P

P

T

T

A

A

M

M

H

H

V

I

A

A

V

A

V

I

A

E

I

V

R

H

Q

E

Q

V

L

L

P

P

Q

G

M

L

D

Q

V

K

L

L

I

H

Q

D

T

A

L

L

Q

D

E

A

K

K

S

S

D

K

Q

E

F

F

R

A

H

Q

I

I

V

I

K

K

I

I

G

G

R

R

T
|
T

H
|
H

L

T

Q

Q

D

D

A

A

T

V

P

P

L

L

T

T

L

L

G

G

Q

Q

E

E

I

F

S

S

G

G

W

Y

V

V

A

Q

M

Q

L

V

V

K

H

Y

S

A

K

M

K

T

H

R

I

I

E

K

Y

A

G

A

L

M

E

P

H

R

L

I

Y

Y

E

E

L

L

A

A

L

A

G

G

T

T

A

A

V

V

G

G

T

T

G

G

L

L

N

N

T

T

H

R

P

I

E

G

Y

F

A

A

V

E

R

K

V

V

A

A

K

A

A

K

I

V

A

A

Q

A

L

L

S

T

G

G

C

L

D

P

F

F

V

V

T

T

A

A

P

P

N

N

K

K

F

F

E

E

A

A

L

L

A

A

S

A

C

H

D

D

G

A

L

L

V

V

Q

E

A

L

H

S

G

G

A

A

L

M

K

N

G

T

L

T

A

A

A

C

S

S

M

L

M

M

K

K

I

I

A

A

N

N

D

D

V

I

R

R

W

F

L

L

A

G

S

S

G

G

P

P

R

R

C

S

G

G

I

L

G

G

E

E

I

L

S

I

I

L

P

P

E

E

N

N

E

E

P

P

G

G

S
|
S

S

S

I
|
I

M
|
M

P

P

G

G

K
|
K

V

V

N

N

P

P

T

T

Q

Q

C

C

E

E

A

A

V

M

T

T

M

M

L

V

C

A

A

A

Q

Q

V

V

M

M

G

G

N

N

D

H

V

V

A

A

V

V

N

T

I

V

G

G

A

S

S

N

G

G

N

H

F

F

E

E

L

L

N

N

V

V

F

F

R

K

P

P

L

M

V

M

I

I

H

K

N

N

F

V

L

L

Q

H

S

S

V

A

R

R

L

L

A

G

D

D

G

A

I

S

E

V

S

S

F

F

N

T

E

E

H

N

C

C

A

V

R

V

G

G

I

I

E

Q

P

A

N

N

R

T

P

E

R

R

I

I

N

N

Q

K

L

L

L

M

N

N

E

E

S

S

L

L

M

M

L

L

V

V

T

T

A

A

L

L

N

N

T

P

H

H

I

I

G

G

Y

Y

D

D

K

K

A

A

E

K

I

I

A

A

K

K

K

T

A

A

H

H

H

K

E

N

G

G

L

S

T

T

L

L

K

K

E

E

S

T

A

A

L

I

M

E

L

L

G

G

Y

Y

V

L

T

T

A

A

A

E

Q

Q

F

F

D

D

E

E

W

W

V

V

R

K

P

P

Q

K

D

D

M

M

V

L

G

G

binding d-2-amino-3-phosphono-propionic acid: T186 (= T187), H187 (= H188), S317 (= S318), I319 (= I320), M320 (= M321), K323 (= K324)

P07954 Fumarate hydratase, mitochondrial; Fumarase; HsFH; EC 4.2.1.2 from Homo sapiens (Human) (see 4 papers)
60% identity, 98% coverage: 3:461/466 of query aligns to 49:508/510 of P07954

query
sites
P07954

A

S

M

F

R

R

V

I

E

E

R

Y

D

D

S

T

M

F

G

G

D

E

I

L

D

K

V

V

P

P

Q

N

A

D

R

K

L

Y

W

Y

G

G

A

A

Q

Q

T

T

Q

V

R

R

S

S

L

T

E

M

H

N

F

F

R

K

I

I

S

G

-

G

-

V

V

T

E

E

K

R

M

M

P

P

Q

T

A

P

L

V

I

I

D

K

A

A

L

F

A

G

V

I

V

L

K

K

K

R

A

A

Q

E

V

V

N

N

L

Q

D

D

L

Y

G

G

L

L

L

-

S

D

E

P

E

K

K

I

A

A

E

N

A

A

I

I

M

M

Q

K

A

A

Q

D

E

E

V

V

I

A

D

E

G

G

F

K

R

L

Y

N

Q

D

E

H

F

F

P

P

L

L

A

V

V

V

W

W

Q

Q

T

T

G

G

S

S

G

G

T
|
T

Q

Q

S

T

N

N

M

M

N

N

M

V

N

N

E

E

V

V

L

I

A

S

N

N

R

R

A

A

S

I

E

E

L

M

L

L

G

G

E

E

R

L

G

G

N

S

E

K

R

I

K

P

V

V

H

H

P

P

N

N

D

D

D

H

V

V

N

N

K

K

S

S

Q

Q

S

S

S
|
S

N

N

D

D

V

T

F

F

P

P

T

T

A

A

M

M

H

H

V

I

A

A

V

A

V

I

A

E

I

V

R

H

Q

E

Q

V

L

L

P

P

Q

G

M

L

D

Q

V

K

L

L

I

H

Q

D

T

A

L

L

Q

D

E

A

K

K

S

S

D

K

Q

E

F

F

R

A

H

Q

I

I

V

I

K
|
K

I

I

G

G

R
|
R

T

T

H

H

L
x
T

Q

Q

D

D

A

A

T

V

P

P

L

L

T

T

L

L

G

G

Q

Q

E

E

I

F

S

S

G

G

W

Y

V

V

A

Q

M

Q

L

V

V

K

H

Y

S

A

K

M

K

T

H

R

I

I

E

K

Y

A

G

A

L

M

E

P

H

R

L

I

Y

Y

E

E

L

L

A

A

L

A

G

G

T

T

A

A

V

V

G

G

T

T

G

G

L

L

N

N

T

T

H

R

P

I

E

G

Y

F

A

A

V

E

R

K

V

V

A

A

K

A

A

K

I

V

A

A

Q

A

L

L

S

T

G

G

C

L

D

P

F

F

V

V

T

T

A

A

P

P

N

N

K

K

F

F

E

E

A

A

L

L

A

A

S

A

C

H

D

D

G

A

L

L

V

V

Q

E

A

L

H

S

G

G

A

A

L

M

K

N

G

T

L

T

A

A

A

C

S

S

M

L

M

M

K

K

I

I

A

A

N

N

D

D

V

I

R

R

W

F

L

L

A

G

S

S

G

G

P

P

R

R

C

S

G

G

I

L

G

G

E

E

I

L

S

I

I

L

P

P

E

E

N

N

E

E

P

P

G

G

S

S

I

I

M

M

P

P

G

G

K

K

V

V

N

N

P

P

T

T

Q

Q

C

C

E

E

A

A

V

M

T

T

M

M

L

V

C

A

A

A

Q

Q

V

V

M

M

G

G

N

N

D

H

V

V

A

A

V

V

N

T

I

V

G

G

A

S

S

N

G

G

N

H

F

F

E

E

L

L

N

N

V

V

F

F

R

K

P

P

L

M

V

M

I

I

H

K

N

N

F

V

L

L

Q

H

S

S

V

A

R

R

L

L

A

G

D

D

G

A

I

S

E

V

S

S

F

F

N

T

E

E

H

N

C

C

A

V

R

V

G

G

I

I

E

Q

P

A

N

N

R

T

P

E

R

R

I

I

N

N

Q

K

L

L

L

M

N

N

E

E

S

S

L

L

M

M

L

L

V

V

T

T

A

A

L

L

N

N

T

P

H

H

I

I

G

G

Y

Y

D

D

K

K

A

A

E

K

I

I

A

A

K

K

K

T

A

A

H

H

H

K

E

N

G

G

L

S

T

T

L

L

K

K

E

E

S

T

A

A

L

I

M

E

L

L

G

G

Y

Y

V

L

T

T

A

A

A

E

Q

Q

F

F

D

D

E

E

W

W

V

V

R

K

P

P

Q

K

D

D

M

M

V

L

G

G

T147 (= T100) mutation to A: Does not affect phosphorylation by PRKDC.
S187 (= S140) mutation to A: Does not affect phosphorylation by PRKDC.
K230 (= K183) to R: in FMRD and HLRCC; dbSNP:rs752232718
R233 (= R186) to H: in HLRCC; catalytically inactive mutant; abolished ability to promote DNA repair; dbSNP:rs121913123
T236 (≠ L189) modified: Phosphothreonine; by PRKDC; mutation to A: Abolished interaction with H2AZ1 and localization to chromatin in response to DNA damage.; mutation to D: Phosphomimetic mutant; promotes interaction with H2AZ1, leading to increased localization to chromatin in response to DNA damage.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
1:43 modified: Variant sequence, Missing (in isoform Cytoplasmic)
46 S→A: Does not affect phosphorylation by PRKDC.

Q9ZCQ4 Fumarate hydratase class II; Fumarase C; Aerobic fumarase; Iron-independent fumarase; EC 4.2.1.2 from Rickettsia prowazekii (strain Madrid E) (see paper)
56% identity, 99% coverage: 1:460/466 of query aligns to 1:460/461 of Q9ZCQ4

query
sites
Q9ZCQ4

M

M

T

K

A

N

M

Y

R

R

V

I

E

E

R

S

D

D

S

S

M

F

G

G

D

E

I

I

D

Q

V

I

P

E

Q

E

A

K

R

F

L

Y

W

W

G

G

A

A

Q

Q

T

T

Q

Q

R

R

S

S

L

L

E

N

H

N

F

F

R

K

I

I

S

S

V

K

E

Q

K

K

M

M

P

P

Q

K

A

I

L

L

I

I

D

R

A

A

L

L

A

A

V

I

V

L

K

K

A

C

A

A

Q

Q

V

V

N

N

L

Y

D

E

L

F

G

G

L

D

L

L

S

E

E

Y

E

K

K

I

A

A

E

T

A

S

I

I

M

D

Q

K

A

A

A

I

Q

D

E

R

V

I

I

L

D

A

G

G

F

E

R

F

Y

E

Q

D

E

N

F

F

P

P

L

L

A

V

V

V

W

W

Q

Q

T

T

G

G

S
|
S

G
|
G

T
|
T

Q

Q

S

T

N

N

M

M

N

N

M

M

N

N

E

E

V

V

L

I

A

A

N

S

R

I

A

A

S

N

E

E

L

E

L

L

G

T

G

G

E

K

R

K

G

G

N

G

E

K

R

F

K

P

V

V

H

H

P

P

N

N

D

D

D

H

V

V

N

N

K

K

S

G

Q

Q

S

S

N

N

D

D

V

S

F

F

P

P

T

T

A

A

M

M

H

H

V

I

A

A

A

T

V

V

V

L

A

A

I

T

R

K

Q

Q

L

L

L

I

P

P

Q

A

M

L

D

N

V

N

L

L

I

L

Q

T

T

Y

L

L

Q

Q

E

D

K

K

S

S

D

K

Q

D

F

W

R

D

H

K

I

I

V

I

K

K

I

I

G

G

R

R

T

T

H

H

L

L

Q

Q

D

D

A

A

T

T

P

P

L

L

T

T

L

L

G

K

Q

Q

E

E

I

F

S

S

G

G

W

Y

V

I

A

T

M

Q

L

I

V

E

H

Y

S

A

K

L

K

E

H

R

I

I

E

E

Y

D

G

A

L

L

E

K

H

K

L

V

Y

Y

E

L

L

L

A

A

L

Q

G

G

T

T

A

A

V

V

G

G

T

T

G

G

L

I

N

N

T

S

H

K

P

I

E

G

Y

F

A

D

V

I

R

K

V

F

A

A

K

Q

A

K

I

V

A

A

Q

E

L

F

S

T

G

Q

C

Q

D

P

F

F

V

K

T

T

A

A

P

P

N

N

K

K

F

F

E

E

A

S

L

L

A

A

S

A

C

H

D

D

G

A

L

L

V

V

Q

E

A

F

H

S

G

G

A

T

L

L

K

N

G

T

L

I

A

A

A

V

S

S

M

L

M

M

K

K

I

I

A

A

N

N

D

D

V

I

R

R

W

L

L

L

A

G

S

S

G

G

P

P

R

R

C

C

G

G

I

L

G

G

E

E

I

L

S

H

I

L

P

P

E

E

N

N

E

E

P

P

G

G

S

S

I

I

M

M

P

P

G

G

K
|
K

V
|
V

N
|
N

P

P

T

T

Q

Q

C

V

E

E

A

A

V

L

T

T

M

M

L

V

C

C

A

T

Q

Q

V

V

M

M

G

G

N

N

D

H

V

V

A

T

V

V

N

T

I

I

G

A

G

G

A

S

S

N

G

G

N

H

F

L

E

E

L

L

N

N

V

V

F

F

R

K

P

P

L

V

V

I

I

I

H

Y

N

N

F

I

L

L

Q

Q

S

S

V

I

R

E

L

L

A

S

D

D

G

S

I

V

E

N

S

S

F

F

N

V

E

T

H

H

C

C

A

V

R

K

G

G

I

L

E

E

P

P

N

N

R

I

P

A

R

R

I

I

N

N

Q

T

L

L

L

R

N

D

E

K

S

S

L

L

M

M

L

L

V

V

T

T

A

V

L

L

N

N

T

P

H

H

I

I

G

G

Y

Y

D

D

K

N

A

A

E

K

I

I

A

A

K

K

K

E

A

A

H

H

H

K

E

Y

G

G

L

I

T

T

L

L

K

K

E

E

S

A

A

A

L

K

M

K

L

L

G

N

Y

F

V

L

T

S

A

E

Q

E

F

F

D

D

E

K

W

I

V

V

R

V

P

P

Q

E

D

K

M

M

V

I

SGT 98:100 (= SGT 98:100) binding substrate
KVN 324:326 (= KVN 324:326) binding substrate

P08417 Fumarate hydratase, mitochondrial; Fumarase; EC 4.2.1.2 from Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) (see 2 papers)
56% identity, 99% coverage: 2:461/466 of query aligns to 26:486/488 of P08417

query
sites
P08417

T

S

A

S

M

F

R
|
R

V
x
T

E
|
E

R
x
T

D
|
D

S
x
A

M
x
F

G
|
G

D
x
E

I
|
I

D
x
H

V
|
V

P
|
P

Q
x
A

A
x
D

R
x
K

L

Y

W

W

G

G

A

A

Q

Q

T

T

Q

Q

R

R

S

S

L

F

E

Q

H

N

F

F

R

K

I

I

-

G

S

A

V

R

E

E

K

R

M

M

P

P

Q

L

A

P

L

L

I

V

D

H

A

A

L

F

A

G

V

V

V

L

K

K

A

S

A

A

Q

I

V

V

N

N

L

E

D

S

L

L

G

G

L

G

L

L

S

D

E

P

E

K

K

I

A

S

E

K

A

A

I

I

M

Q

Q

Q

A

A

Q

D

E

E

V

V

I

A

D

S

G

G

F

K

R

L

Y

D

Q

D

E

H

F

F

P

P

L

L

A

V

V

V

W

F

Q

Q

T

T

G

G

S

S

G

G

T

T

Q

Q

S

S

N

N

M

M

N

N

M

A

N

N

E

E

V

V

L

I

A

S

N

N

R

R

A

A

S

I

E

E

L

I

L

L

G

G

E

K

R

I

G

G

N

S

E

-

R

K

K

Q

V

V

H
|
H

P

P

N

N

D

N

D

H

V

C

N

N

K

Q

S

S

Q

Q

S

S

N

N

D

D

V

T

F

F

P

P

T

T

A

V

M

M

H

H

V

I

A

A

V

S

V

L

A

Q

I

I

R

Q

Q

N

Q

E

L

L

L

I

P

P

Q

E

M

L

D

T

V

N

L

L

I

K

Q

N

T

A

L

L

Q

E

E

A

K

K

S

S

D

K

Q

E

F

F

R

D

H

H

I

I

V

V

K

K

I

I

G

G

R

R

T

T

H

H

L

L

Q

Q

D

D

A

A

T

T

P

P

L

L

T

T

L

L

G

G

Q

Q

E

E

I

F

S

S

G

G

W

Y

V

V

A

Q

M

Q

L

V

V

E

H

N

S

G

K

I

K

Q

H

R

I

V

E

A

Y

H

G

S

L

L

E

K

H

T

L

L

Y

S

E

F

L

L

A

A

L

Q

G

G

T

T

A

A

V

V

G

G

T

T

G

G

L

L

N

N

T

T

H

K

P

P

E

G

Y

F

A

D

V

V

R

K

V

I

A

A

K

E

A

Q

I

I

A

S

Q

K

L

E

S

T

G

G

C

L

D

K

F

F

V

Q

T

T

A

A

P

P

N

N

K

K

F

F

E

E

A

A

L

L

A

A

S

A

C

H

D

D

G

A

L

I

V

V

Q

E

A

C

H

S

G

G

A

A

L

L

K

N

G

T

L

L

A

A

A

C

S

S

M

L

M

F

K

K

I

I

A

A

N

Q

D

D

V

I

R

R

W

Y

L

L

A

G

S

S

G

G

P

P

R

R

C

C

G

G

I

Y

G

H

E

E

I

L

S

M

I

L

P

P

E

E

N

N

E

E

P

P

G

G

S

S

I

I

M

M

P

P

G

G

K

K

V

V

N

N

P

P

T

T

Q

Q

C

N

E

E

A

A

V

L

T

T

M

Q

L

V

C

C

A

V

Q

Q

V

V

M

M

G

G

N

N

D

N

V

A

A

A

V

I

N

T

I

F

G

A

G

G

A

S

S

Q

G

G

N

Q

F

F

E

E

L

L

N

N

V

V

F

F

R

K

P

P

L

V

V

M

I

I

H

A

N

N

F

L

L

L

Q

N

S

S

V

I

R

R

L

L

L

I

A

T

D

D

G

A

I

A

E

Y

S

S

F

F

N

R

E

V

H

H

C

C

A

V

R

E

G

G

I

I

E

K

P

A

N

N

R

E

P

P

R

R

I

I

N

H

Q

E

L

L

N

T

E

K

S

S

L

L

M

M

L

L

V

V

T

T

A

A

L

L

N

N

T

P

H

K

I

I

G

G

Y

Y

D

D

K

A

A

A

A

S

E

K

I

V

A

A

K

K

K

N

A

A

H

H

H

K

E

K

G

G

L

I

T

T

L

L

K

K

E

E

S

S

A

A

L

L

M

E

L

L

G

G

Y

V

V

L

T

T

A

E

A

K

Q

E

F

F

D

D

E

E

W

W

V

V

R

V

P

P

Q

E

D

H

M

M

V

L

G

G

29:44 (vs. 5:20, 44% identical) mutation Missing: Does not affect subcellular location.
H154 (= H129) mutation to R: Abolished fumarate hydratase activity and ability to participate in DNA repair.

Sites not aligning to the query:

1:24 modified: transit peptide, Mitochondrion
24 M→S: Does not affect processing by the mitochondrial processing peptidase. Localizes both in the mitochondrion and cytosol. Exhibits high fumarate hydratase activity.; mutation M->V,I: Abolishes processing by the mitochondrial processing peptidase. Mainly localizes in the cytosol, with a small fraction in the mitochondrion. Reduced fumarate hydratase activity.
24:25 MN→SF: Does not affect processing by the mitochondrial processing peptidase. Localizes both in the mitochondrion and cytosol. Exhibits high fumarate hydratase activity.

A0A3Q0KQY7 Fumarate hydratase; Fumarase; Class II fumarase; SmFHII; EC 4.2.1.2 from Schistosoma mansoni (Blood fluke) (see paper)
44% identity, 98% coverage: 4:459/466 of query aligns to 9:481/488 of A0A3Q0KQY7

query
sites
A0A3Q0KQY7

M

L

R

R

V

V

E

V

R

E

D

D

S

S

M

L

G

G

D

K

I

I

D

N

V

V

P

P

Q

L

A

E

R

R

L

Y

W

Y

G

G

A

A

Q

Q

T

T

Q

A

R

R

S

S

L

L

E

G

H

N

F

F

R

N

I

V

S

C

V

T

-

R

-

S

E

D

K

T

M

M

P

P

Q

L

A

Q

L

I

I

V

D

Y

A

S

L

L

A

A

V

M

V

I

K

K

K

E

A

V

A

A

Q

C

V

T

N

N

L

F

D

K

L

L

G

G

L

R

L

I

S

S

E

S

E

K

K

L

A

S

E

D

A

A

I

I

M

V

Q

K

A

A

A

C

Q

R

E

E

V

V

I

Y

D

H

G

G

F

Q

R

H

Y

D

Q

N

E

E

F

F

P

P

L

L

A

V

V

I

W

W

Q

Q

T

T

G

G

S
|
S

G

G

T

T

Q

Q

S

T

N

N

M

M

N

N

M

V

N

N

E

E

V

V

L

L

A

S

N

S

R

R

A

A

S

S

E

E

L

L

L

I

G

D

G

G

E

S

R

R

G

S

N

S

E

R

R

L

K

T

V

V

H

H

P

P

N

N

D

D

D

H

V

V

N

N

K

L

S

G

Q

Q

S

S

S
|
S

N
|
N

D

D

V

I

F

F

P

P

T

T

A

A

M

M

H

N

V

L

A

S

A

I

V

A

V

M

A

E

I

T

R

A

Q

W

Q

K

L

V

L

L

P

P

Q

S

M

L

D

N

V

H

L

L

I

I

Q

N

T

V

L

L

Q

K

E

I

K

K

S

M

D

H

Q

E

F

F

R

M

H

N

I

V

V

I

K

K

I

I

G

G

R

R

T
|
T

H
|
H

L

M

Q

Q

D

D

A

A

T

V

P

P

L

M

T

S

L

V

G

G

Q

Q

E

E

I

L

S

S

G

G

W

Y

V

V

A

S

M

Q

L

L

V

Q

H

Q

S

A

K

V

K

D

H

S

I

I

E

K

Y

S

G

Q

L

L

E

P

H

L

L

I

Y

C

E

H

L

L

A

A

L

V

G

G

T

T

A

A

V

V

G

G

T

T

G

G

L

L

N

N

T

C

H

S

P

K

E

G

Y

F

A

D

V

E

R

E

V

L

A

C

K

V

A

S

I

L

A

T

Q

Q

L

L

S

T

G

D

-
x
R

-
x
L

-
x
Y

-
x
R

-
x
T

-
x
M

-
x
Y

-
x
K

-
x
E

-
x
S

-
x
T

-
x
P

-
x
V

C
x
V

D
|
D

F

L

V

I

T

F

A

K

P

P

-

A

-

E

N

N

K

K

F

F

E

A

A

A

L

L

A

A

S

G

C

H

D

D

G

A

L

L

V

L

Q

Q

A

L

H

S

G

G

A

C

L

F

K

N

G

T

L

T

A

A

A

T

S

A

M

L

M

M

K

R

I

L

A

S

N

N

D

D

V

F

R

C

W

L

L

L

A

S

S

S

G

G

P

P

R

N

C

C

G

G

I

L

G

S

E

E

I

F

S

V

I

L

P

P

E

A

N

N

E

E

P

P

G

G

S

S

S
|
S

I

I

M

M

P

P

G

G

K
|
K

V

V

N
|
N

P

P

T

T

Q

Q

C

C

E

E

A

S

V

L

T

R

M

M

L

V

C

C

A

L

Q

Q

V

I

M

M

G

G

N

N

D

H

V

F

A

T

V

T

N

S

I

M

G

A

A

S

S

Q

G

G

N

Q

F

L

E

E

L

L

N

N

V

V

F

C

R

K

P

P

L

L

V

I

I

A

H

A

N

N

F

L

L

L

Q

H

S

T

V

C

R

E

L

L

A

T

D

D

G

S

I

T

E

R

S

C

F

F

N

A

E

D

H

K

C

C

A

V

R

R

G

D

I

L

E

Q

P

L

N

N

R

R

P

E

R

K

I

I

N

Q

Q

E

L

Y

L

V

N

D

E

K

S

S

L

L

M

M

L

L

V

V

T

T

A

V

L

L

N

T

T

P

H

H

I

I

G

G

Y

Y

D

D

K

L

A

S

A

A

E

K

I

L

A

V

K

Q

K

H

A

A

H

S

H

K

E

F

G

K

L

K

T

G

L

L

K

R

E

E

S

S

A

A

L

I

M

E

L

L

G

N

Y

L

V

L

T

C

A

G

A

E

Q

K

F

F

D

D

E

E

W

I

V

V

R

K

P

P

Q

M

D

E

M

M

S105 (= S98) binding (S)-malate
S147 (= S140) binding (S)-malate
N148 (= N141) binding (S)-malate
T194 (= T187) binding (S)-malate
H195 (= H188) binding (S)-malate
263:277 (vs. 256:257, 7% identical) mutation Missing: Remains as a tetramer. 17.35 degrees Celsius lower melting temperature (Tm) than wild-type with the highest thermal stability around pH 6.5. Similarly to wild-type, thermal stability increases with increasing NaCl concentration, in addition, acetate induces a positive thermoshift. No change in optimum pH. No effect in catalytic constants other than subtle differences for L-malate constants.
S341 (= S319) binding (S)-malate
K346 (= K324) binding (S)-malate
N348 (= N326) binding (S)-malate

P9WN93 Fumarate hydratase class II; Fumarase C; Aerobic fumarase; Iron-independent fumarase; EC 4.2.1.2 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 2 papers)
49% identity, 95% coverage: 5:445/466 of query aligns to 11:445/474 of P9WN93

query
sites
P9WN93

R

R

V

I

E

E

R

H

D

D

S

T

M

M

G

G

D

E

I

V

D

R

V

V

P

P

Q

A

A

K

R

A

L

L

W

W

G

R

A

A

Q

Q

T

T

Q

Q

R

R

S

A

L

V

E

E

H

N

F

F

R

P

I

I

S

S

V

G

E

R

K

G

M

L

P

E

Q

R

A

T

L

Q

I

I

D

R

A

A

L

L

A

G

V

L

K

K

K

G

A

A

A

C

A

A

Q

Q

V

V

N

N

L

S

D

D

L

L

G

G

L

L

S

A

E

P

E

E

K

K

A

A

E

D

A

A

I

I

M

I

Q

A

A

A

Q

A

E

E

V

I

I

A

D

D

G

G

F

Q

R

H

Y

D

Q

D

E

Q

F

F

P

P

L

I

A

D

V

V

W

F

Q

Q

T

T

G

G

S
|
S

G
|
G

T
|
T

Q

S

S

S

N

N

M

M

N

N

M

T

N

N

E

E

V

V

L

I

A

A

N

S

R

I

A

A

S

A

E

K

L

-

G

G

E

V

R

-

G

-

N

-

E

-

R

-

K

T

V

L

H

H

P

P

N

N

D

D

V

V

N

N

K

M

S

S

Q

Q

S
|
S

N
|
N

D

D

V

T

F

F

P

P

T

T

A

A

M

T

H

H

V

I

A

A

V

T

V

E

A

A

I

A

R

V

Q

A

Q

H

L

L

L

I

P

P

Q

A

M

L

D

Q

V

Q

L

L

I

H

Q

D

T

A

L

L

Q

A

E

A

K

K

S

A

D

L

Q

D

F

W

R

H

H

T

I

V

V

V

K

K

I

S

G

G

R

R

T
|
T

H

H

L

L

Q

M

D

D

A

A

T

V

P

P

L

V

T

T

L

L

G

G

Q

Q

E

E

I

F

S

S

G

G

W

Y

V

A

A

R

M

Q

L

I

V

E

H

A

S

G

K

I

K

E

H

R

I

V

E

R

Y

A

G

C

L

L

E

P

H

R

L

L

Y

G

E

E

L

L

A

A

L

I

G

G

T

T

A

A

V

V

G

G

T

T

G

G

L

L

N

N

T

A

H

P

P

D

E

D

Y

F

A

G

V

V

R

R

V

V

-

V

A

A

K

V

A

L

I

V

A

A

Q

Q

L

T

S

G

G

L

C

S

D

E

F

L

V

R

T

T

A

A

P

A

N

N

K

S

F

F

E

E

A

A

L

Q

A

A

S

A

C

R

D

D

G

G

L

L

V

V

Q

E

A

A

H

S

G

G

A

A

L

L

K

R

G

T

L

I

A

A

A

V

S

S

M

L

M

T

K

K

I

I

A

A

N

N

D

D

V

I

R

R

W

W

L

M

A

G

S

S

G

G

P

P

R

L

C

T

G

G

I

L

G

A

E

E

I

I

S

Q

I

L

P

P

E

D

N

L

E

Q

P

P

G

G

S
|
S

I

I

M

M

P

P

G

G

K
|
K

V
|
V

N
|
N

P

P

T

V

Q

L

C

P

E

E

A

A

V

V

T

T

M

Q

L

V

C

A

A

A

Q

Q

V

V

M

I

G

G

N

N

D

D

V

A

A

A

V

I

N

A

I

W

G

G

A

A

S

N

G

G

N

A

F

F

E

E

L

L

N

N

V

V

F

Y

R

I

P

P

L

M

V

M

I

A

H

R

N

N

F

I

L

L

Q

E

S

S

V

F

R

K

L

L

A

T

D

N

G

V

I

S

E

R

S

L

F

F

N

A

E

Q

H

R

C

C

A

I

R

A

G

G

I

L

E

T

P

A

N

N

R

V

P

E

R

H

I

L

N

R

Q

R

L

L

L

A

N

E

E

S

S

S

L

P

M

S

L

I

V

V

T

T

A

P

L

L

N

N

T

S

H

A

I

I

G

G

Y

Y

D

E

K

E

A

A

E

A

I

V

A

A

K

K

K

Q

A

A

H

L

H

K

E

E

G

R

L

K

T

T

L

I

K

R

E

Q

S

T

A

V

L

I

M

D

L

R

G

G

Y

L

V

I

SGT 104:106 (= SGT 98:100) binding substrate
SSN 138:140 (= SSN 139:141) binding substrate
T186 (= T187) binding substrate
S318 (= S318) active site; mutation S->A,C: Absence of fumarase activity.
S319 (= S319) binding substrate
KVN 324:326 (= KVN 324:326) binding substrate

4adlA Crystal structures of rv1098c in complex with malate (see paper)
49% identity, 95% coverage: 5:445/466 of query aligns to 3:437/459 of 4adlA

query
sites
4adlA

R

R

V

I

E

E

R

H

D

D

S

T

M

M

G

G

D

E

I

V

D

R

V

V

P

P

Q

A

A

K

R

A

L

L

W

W

G

R

A

A

Q

Q

T

T

Q

Q

R

R

S

A

L

V

E

E

H

N

F

F

R

P

I

I

S

S

V

G

E

R

K

G

M

L

P

E

Q

R

A

T

L

Q

I

I

D

R

A

A

L

L

A

G

V

L

K

K

K

G

A

A

A

C

A

A

Q

Q

V

V

N

N

L

S

D

D

L

L

G

G

L

L

S

A

E

P

E

E

K

K

A

A

E

D

A

A

I

I

M

I

Q

A

A

A

Q

A

E

E

V

I

I

A

D

D

G

G

F

Q

R

H

Y

D

Q

D

E

Q

F

F

P

P

L

I

A

D

V

V

W

F

Q

Q

T

T

G

G

S
|
S

G

G

T
|
T

Q

S

S

S

N

N

M

M

N

N

M

T

N

N

E

E

V

V

L

I

A

A

N

S

R

I

A

A

S

A

E

K

L

-

G

G

E

V

R

-

G

-

N

-

E

-

R

-

K

T

V

L

H

H

P

P

N

N

D

D

V

V

N

N

K

M

S

S

Q

Q

S
|
S

N
|
N

D

D

V

T

F

F

P

P

T

T

A

A

M

T

H

H

V

I

A

A

V

T

V

E

A

A

I

A

R

V

Q

A

Q

H

L

L

L

I

P

P

Q

A

M

L

D

Q

V

Q

L

L

I

H

Q

D

T

A

L

L

Q

A

E

A

K

K

S

A

D

L

Q

D

F

W

R

H

H

T

I

V

V

V

K

K

I

S

G

G

R

R

T
|
T

H
|
H

L

L

Q

M

D

D

A

A

T

V

P

P

L

V

T

T

L

L

G

G

Q

Q

E

E

I

F

S

S

G

G

W

Y

V

A

A

R

M

Q

L

I

V

E

H

A

S

G

K

I

K

E

H

R

I

V

E

R

Y

A

G

C

L

L

E

P

H

R

L

L

Y

G

E

E

L

L

A

A

L

I

G

G

T

T

A

A

V

V

G

G

T

T

G

G

L

L

N

N

T

A

H

P

P

D

E

D

Y

F

A

G

V

V

R

R

V

V

-

V

A

A

K

V

A

L

I

V

A

A

Q

Q

L

T

S

G

G

L

C

S

D

E

F

L

V

R

T

T

A

A

P

A

N

N

K

S

F

F

E

E

A

A

L

Q

A

A

S

A

C

R

D

D

G

G

L

L

V

V

Q

E

A

A

H

S

G

G

A

A

L

L

K

R

G

T

L

I

A

A

A

V

S

S

M

L

M

T

K

K

I

I

A

A

N

N

D

D

V

I

R

R

W

W

L

M

A

G

S

S

G

G

P

P

R

L

C

T

G

G

I

L

G

A

E

E

I

I

S

Q

I

L

P

P

E

D

N

L

E

Q

P

P

G

G

S
|
S

I

I

M

M

P

P

G

G

K
|
K

V

V

N

N

P

P

T

V

Q

L

C

P

E
|
E

A

A

V

V

T

T

M

Q

L

V

C

A

A

A

Q

Q

V

V

M

I

G

G

N

N

D

D

V

A

A

A

V

I

N

A

I

W

G

G

A

A

S

N

G

G

N

A

F

F

E

E

L

L

N

N

V

V

F

Y

R

I

P

P

L

M

V

M

I

A

H

R

N

N

F

I

L

L

Q

E

S

S

V

F

R

K

L

L

A

T

D

N

G

V

I

S

E

R

S

L

F

F

N

A

E

Q

H

R

C

C

A

I

R

A

G

G

I

L

E

T

P

A

N

N

R

V

P

E

R

H

I

L

N

R

Q

R

L

L

L

A

N

E

E

S

S

S

L

P

M

S

L

I

V

V

T

T

A

P

L

L

N

N

T

S

H

A

I

I

G

G

Y

Y

D

E

K

E

A

A

E

A

I

V

A

A

K

K

K

Q

A

A

H

L

H

K

E

E

G

R

L

K

T

T

L

I

K

R

E

Q

S

T

A

V

L

I

M

D

L

R

G

G

Y

L

V

I

active site: T178 (= T187), H179 (= H188), S310 (= S318), S311 (= S319), K316 (= K324), E323 (= E331)
binding (2S)-2-hydroxybutanedioic acid: S96 (= S98), T98 (= T100), S130 (= S139), S131 (= S140), N132 (= N141)

4apbD Crystal structure of mycobacterium tuberculosis fumarase (rv1098c) s318c in complex with fumarate (see paper)
49% identity, 95% coverage: 5:445/466 of query aligns to 3:437/462 of 4apbD

query
sites
4apbD

R

R

V

I

E

E

R

H

D

D

S

T

M

M

G

G

D

E

I

V

D

R

V

V

P

P

Q

A

A

K

R

A

L

L

W

W

G

R

A

A

Q

Q

T

T

Q

Q

R

R

S

A

L

V

E

E

H

N

F

F

R

P

I

I

S

S

V

G

E

R

K

G

M

L

P

E

Q

R

A

T

L

Q

I

I

D

R

A

A

L

L

A

G

V

L

K

K

K

G

A

A

A

C

A

A

Q

Q

V

V

N

N

L

S

D

D

L

L

G

G

L

L

S

A

E

P

E

E

K

K

A

A

E

D

A

A

I

I

M

I

Q

A

A

A

Q

A

E

E

V

I

I

A

D

D

G

G

F

Q

R

H

Y

D

Q

D

E

Q

F

F

P

P

L

I

A

D

V

V

W

F

Q

Q

T

T

G

G

S

S

G

G

T
|
T

Q

S

S

S

N

N

M

M

N

N

M

T

N

N

E

E

V

V

L

I

A

A

N

S

R

I

A

A

S

A

E

K

L

-

G

G

E

V

R

-

G

-

N

-

E

-

R

-

K

T

V

L

H

H

P

P

N

N

D

D

V

V

N

N

K

M

S

S

Q

Q

S
|
S

N
|
N

D

D

V

T

F

F

P

P

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T

A

A

M

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H

H

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I

A

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A

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L

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|
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|
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L

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G

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V

G

G

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G

G

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L

N

N

T

A

H

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D

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V

A

A

K

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M

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N

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W

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G

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E

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L

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P

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G

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x
C

S
|
S

I

I

M
|
M

P

P

G

G

K
|
K

V

V

N
|
N

P

P

T

V

Q

L

C

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E
|
E

A

A

V

V

T

T

M

Q

L

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A

A

A

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Q

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V

M

I

G

G

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N

D

D

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A

A

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G

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F

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L

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N

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V

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P

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M

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N

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L

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K

L

L

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G

V

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S

L

F

F

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A

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Q

H

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C

A

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A

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G

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L

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A

N

N

R

V

P

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I

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R

L

L

L

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E

S

S

S

L

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M

S

L

I

V

V

T

T

A

P

L

L

N

N

T

S

H

A

I

I

G

G

Y

Y

D

E

K

E

A

A

E

A

I

V

A

A

K

K

K

Q

A

A

H

L

H

K

E

E

G

R

L

K

T

T

L

I

K

R

E

Q

S

T

A

V

L

I

M

D

L

R

G

G

Y

L

V

I

active site: H179 (= H188), C310 (≠ S318), K316 (= K324), E323 (= E331)
binding fumaric acid: T98 (= T100), S130 (= S139), S131 (= S140), N132 (= N141), T178 (= T187), H179 (= H188), C310 (≠ S318), S311 (= S319), M313 (= M321), K316 (= K324), N318 (= N326)

3r6qA A triclinic-lattice structure of aspartase from bacillus sp. Ym55-1 (see paper)
41% identity, 98% coverage: 4:460/466 of query aligns to 1:456/462 of 3r6qA

query
sites
3r6qA

M

V

R

R

V

I

E

E

R

K

D

D

S

F

M

L

G

G

D

E

I

K

D

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I

P

P

Q

K

A

D

R

A

L

Y

W

Y

G

G

A

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Q

T

T

Q

I

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R

S

A

L

T

E

E

H

N

F

F

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P

I

I

S

T

V

G

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Y

K

R

M

I

P

H

Q

P

A

E

L

L

I

I

D

K

A

S

L

L

A

G

V

I

V

V

K

K

A

S

A

A

Q

L

V

A

N

N

L

M

D

E

L

V

G

G

L

L

S

D

E

K

E

E

K

V

A

G

E

Q

A

Y

I

I

M

V

Q

K

A

A

Q

D

E

E

V

V

I

I

D

E

G

G

F

K

R

W

Y

N

Q

D

E

Q

F

F

P

I

L

V

A

D

V

P

W

I

Q

Q

T

G

G

G

S

A

G

G

T

T

Q

S

S

I

N

N

M

M

N

N

M

A

N

N

E

E

V

V

L

I

A

A

N

N

R

R

A

A

S

L

E

E

L

L

L

M

G

G

G

E

E

E

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K

G

G

N

N

E

Y

R

S

K

K

V

I

H

S

P

P

N

N

D

S

D

H

V

V

N

N

K

M

S

S

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Q

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S

S

T

N

N

D

D

V

A

F

F

P

P

T

T

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A

M

T

H

H

V

I

A

A

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-

V

V

V

L

A

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L

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Q

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K

K

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D

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F

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A

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G

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V

I

K

K

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M

G

G

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R

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T

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|
H

L

L

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Q

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D

A

A

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P

L

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L

L

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G

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K

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N

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L

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Y

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D

L

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N

L

M

G

G

G

A

T

T

A

A

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V

G

G

T

T

G

G

L

L

N

N

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D

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P

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Y

Y

A

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L

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G

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D

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L

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K

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M

M

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K

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I

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N

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D

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L

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G

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P

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G

G

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|
S

S

S

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I

M

M

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P

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G

K
|
K

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V

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N

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P

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M

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|
E

A

V

V

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M

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L

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A

F

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Q

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V

M

F

G

G

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D

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T

I

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A

G

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G

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F

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L

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N

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V

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N

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L

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F

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C

A

L

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K

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G

I

I

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x
A

N

N

R
x
E

P

E

R

R

I

M

N

K

Q

E

L

Y

L

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N

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K

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S

L

I

M

G

L

I

V

I

T

T

A

A

L

I

N

N

T

P

H

H

I

V

G

G

Y

Y

D

E

K

T

A

A

E

K

I

L

A

A

K

R

K

E

A

A

H

Y

H

L

E

T

G

G

L

E

T

S

L

I

K

R

E

E

S

L

A

C

L

I

M

K

L

Y

G

G

Y

V

V

L

T

T

A

E

Q

Q

F

L

D

N

E

E

W

I

V

L

R

N

P

P

Q

Y

D

E

M

M

V

I

active site: H184 (= H188), S314 (= S318), K320 (= K324), E327 (= E331)
binding calcium ion: A389 (≠ P393), E391 (≠ R395)

3r6vG Crystal structure of aspartase from bacillus sp. Ym55-1 with bound l- aspartate (see paper)
41% identity, 98% coverage: 4:460/466 of query aligns to 2:457/463 of 3r6vG

query
sites
3r6vG

M

V

R

R

V

I

E

E

R

K

D

D

S

F

M

L

G

G

D

E

I

K

D

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I

P

P

Q

K

A

D

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A

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Y

W

Y

G

G

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Q

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R

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A

L

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H

N

F

F

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I

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K

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M

I

P

H

Q

P

A

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L

L

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I

D

K

A

S

L

L

A

G

V

I

V

V

K

K

A

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A

A

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L

V

A

N

N

L

M

D

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L

V

G

G

L

L

S

D

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K

E

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K

V

A

G

E

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A

Y

I

I

M

V

Q

K

A

A

Q

D

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V

I

I

D

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G

G

F

K

R

W

Y

N

Q

D

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Q

F

F

P

I

L

V

A

D

V

P

W

I

Q

Q

T

G

G

G

S

A

G

G

T

T

Q

S

S

I

N

N

M

M

N

N

M

A

N

N

E

E

V

V

L

I

A

A

N

N

R

R

A

A

S

L

E

E

L

L

L

M

G

G

G

E

E

E

R

K

G

G

N

N

E

Y

R

S

K

K

V

I

H

S

P

P

N

N

D

S

D

H

V

V

N

N

K

M

S

S

Q

Q

S

S

S

T

N

N

D

D

V

A

F

F

P

P

T

T

A

A

M

T

H

H

V

I

A

A

A

-

V

V

V

L

A

S

I

L

R

L

Q

N

Q

Q

L

L

L

I

P

E

Q

T

M

T

D

K

V

Y

L

M

I

Q

Q

Q

T

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L

F

Q

M

E

K

K

K

S

A

D

D

Q

E

F

F

R

A

H

G

I

V

V

I

K

K

I

M

G

G

R

R

T

T

H
|
H

L

L

Q

Q

D

D

A

A

T

V

P

P

L

I

T

L

L

L

G

G

Q

Q

E

E

I

F

S

E

G

A

W

Y

V

A

A

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M

V

L

I

V

A

H

R

S

D

K

I

K

E

H

R

I

I

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A

Y

N

G

T

L

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N

H

N

L

L

Y

Y

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D

L

I

A

N

L

M

G

G

G

A

T

T

A

A

V

V

G

G

T

T

G

G

L

L

N

N

T

A

H

D

P

P

E

E

Y

Y

A

I

V

S

R

I

V

V

A

T

K

E

A

H

I

L

A

A

Q

K

L

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S

S

G

G

C

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D

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F

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V

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T

S

A

A

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Q

N

H

K

L

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D

A

A

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A

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S

N

C

T

D

D

G

C

L

Y

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T

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A

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H

S

G

S

A

A

L

L

K

K

G

V

L

C

A

M

A

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N

M

M

M

S

K

K

I

I

A

A

N

N

D

D

V

L

R

R

W

L

L

M

A

A

S

S

G

G

P

P

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R

C

A

G

G

I

L

G

S

E

E

I

I

S

V

I

L

P

P

E

A

N

R

E

Q

P

P

G
|
G

S
|
S

I

I

M

M

P

P

G

G

K
|
K

V

V

N

N

P

P

T

V

Q

M

C

P

E
|
E

A

V

V

M

T

N

M

Q

L

V

C

A

A

F

Q

Q

V

V

M

F

G

G

N

N

D

D

V

L

A

T

V

I

N

T

I

S

G

A

G

S

A

E

S

A

G

G

N

Q

F

F

E

E

L

L

N

N

V

V

F

M

R

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P

P

L

V

V

L

I

F

H

F

N

N

F

L

L

I

Q

Q

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I

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S

L

I

L

M

A

T

D

N

G

V

I

F

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K

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S

F

F

N

T

E

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H

N

C

C

A

L

R

K

G

G

I

I

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K

P

A

N

N

R

E

P

E

R

R

I

M

N

K

Q

E

L

Y

L

V

N

E

E

K

S

S

L

I

M

G

L

I

V

I

T

T

A

A

L

I

N

N

T

P

H

H

I

V

G

G

Y

Y

D

E

K

T

A

A

E

K

I

L

A

A

K

R

K

E

A

A

H

Y

H

L

E

T

G

G

L

E

T

S

L

I

K

R

E

E

S

L

A

C

L

I

M

K

L

Y

G

G

Y

V

V

L

T

T

A

E

Q

Q

F

L

D

N

E

E

W

I

V

L

R

N

P

P

Q

Y

D

E

M

M

V

I

active site: H185 (= H188), S315 (= S318), K321 (= K324), E328 (= E331)
binding aspartic acid: G314 (= G317), S315 (= S318), S316 (= S319)

Q9LCC6 Aspartate ammonia-lyase; Aspartase; EC 4.3.1.1 from Bacillus sp. (see 3 papers)
41% identity, 98% coverage: 2:459/466 of query aligns to 3:459/468 of Q9LCC6

query
sites
Q9LCC6

T

T

A

D

M

V

R

R

V

I

E

E

R

K

D

D

S

F

M

L

G

G

D

E

I

K

D

E

V

I

P

P

Q

K

A

D

R

A

L

Y

W

Y

G

G

A

V

Q

Q

T

T

Q

I

R

R

S

A

L

T

E

E

H

N

F

F

R

P

I

I

S

T

V

G

E

Y

K

R

M

I

P

H

Q

P

A

E

L

L

I

I

D

K

A

S

L

L

A

G

V

I

V

V

K

K

A

S

A

A

Q

L

V

A

N

N

L

M

D

E

L

V

G

G

L

L

S

D

E

K

E

E

K

V

A

G

E

Q

A

Y

I

I

M

V

Q

K

A

A

Q

D

E

E

V

V

I

I

D

E

G

G

F

K

R

W

Y

N

Q

D

E

Q

F

F

P

I

L

V

A

D

V

P

W

I

Q

Q

T

G

G

G

S

A

G

G

T
|
T

Q

S

S

I

N

N

M

M

N

N

M

A

N

N

E

E

V

V

L

I

A

A

N

N

R

R

A

A

S

L

E

E

L

L

L

M

G

G

G

E

E

E

R

K

G

G

N

N

E

Y

R

S

K

K

V

I

H

S

P

P

N

N

D

S

D
x
H

V

V

N

N

K

M

S

S

Q

Q

S
|
S

S
x
T

N
|
N

D

D

V

A

F

F

P

P

T

T

A

A

M

T

H

H

V

I

A

A

A

-

V

V

V

L

A

S

I

L

R

L

Q

N

Q

Q

L

L

L

I

P

E

Q

T

M

T

D

K

V

Y

L

M

I

Q

Q

Q

T

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L

F

Q

M

E

K

K

K

S

A

D

D

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F

F

R

A

H

G

I

V

V

I

K
|
K

I

M

G

G

R

R

T
|
T

H
|
H

L

L

Q

Q

D

D

A

A

T

V

P

P

L

I

T

L

L

L

G

G

Q

Q

E

E

I

F

S

E

G

A

W

Y

V

A

A

R

M

V

L

I

V

A

H

R

S

D

K

I

K

E

H

R

I

I

E

A

Y

N

G

T

L

R

E

N

H

N

L

L

Y

Y

E

D

L

I

A

N

L

M

G

G

G

A

T

T

A

A

V

V

G

G

T

T

G

G

L

L

N

N

T

A

H

D

P

P

E

E

Y

Y

A

I

V

S

R

I

V

V

A

T

K

E

A

H

I

L

A

A

Q

K

L

F

S

S

G

G

C

H

D

P

F

L

V

R

T

S

A

A

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N

H

K

L

F

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D

A

A

L

T

A

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N

C

T

D

D

G

C

L

Y

V

T

Q

E

A

V

H

S

G

S

A

A

L

L

K

K

G

V

L

C

A

M

A

I

S

N

M

M

M

S

K

K

I

I

A

A

N

N

D

D

V

L

R

R

W

L

L

M

A

A

S

S

G

G

P

P

R

R

C

A

G

G

I

L

G

S

E

E

I

I

S

V

I

L

P

P

E

A

N

R

E

Q

P

P

G

G

S
|
S

I
|
I

M
|
M

P
|
P

G

G

K
|
K

V

V

N
|
N

P

P

T

V

Q

M

C

P

E

E

A

V

V

M

T

N

M

Q

L

V

C

A

A

F

Q

Q

V

V

M

F

G

G

N

N

D

D

V

L

A

T

V

I

N

T

I

S

G

A

G

S

A

E

S

A

G

G

N

Q

F

F

E

E

L

L

N

N

V

V

F

M

R

E

P

P

L

V

V

L

I

F

H

F

N

N

F

L

L

I

Q

Q

S

S

V

I

R

S

L

I

L

M

A

T

D

N

G

V

I

F

E

K

S

S

F

F

N

T

E

E

H

N

C

C

A

L

R

K

G

G

I

I

E

K

P

A

N

N

R

E

P

E

R

R

I

M

N

K

Q

E

L

Y

L

V

N

E

E

K

S

S

L

I

M

G

L

I

V

I

T

T

A

A

L

I

N

N

T

P

H

H

I

V

G

G

Y

Y

D

E

K

T

A

A

E

K

I

L

A

A

K

R

K

E

A

A

H

Y

H

L

E

T

G

G

L

E

T

S

L

I

K

R

E

E

S

L

A

C

L

I

M

K

L

Y

G

G

Y

V

V

L

T

T

A

E

Q

Q

F

L

D

N

E

E

W

I

V

L

R

N

P

P

Q

Y

D

E

M

M

T101 (= T100) binding L-aspartate; mutation to A: 7100-fold decrease in catalytic efficiency. Does not result in any major conformational changes.; mutation to S: 80-fold decrease in catalytic efficiency.
H134 (≠ D133) mutation to A: Retains full activity. Shows a slightly stronger affinity for L-aspartate. Does not affect tertiary structure.
S140 (= S139) binding L-aspartate; mutation to A: 27-fold decrease in catalytic efficiency. Does not result in any major conformational changes.; mutation S->K,R: Loss of activity.
T141 (≠ S140) binding L-aspartate; mutation to A: 15-fold decrease in catalytic efficiency. Does not result in any major conformational changes.; mutation to K: 40000-fold decrease in catalytic efficiency.; mutation T->V,R: Loss of activity.
N142 (= N141) binding L-aspartate; mutation to A: Loss of activity. Does not result in any major conformational changes.; mutation to Q: 3000-fold decrease in catalytic efficiency.
K183 (= K183) mutation to A: Loss of activity. Does not affect tertiary structure.
T187 (= T187) binding L-aspartate; mutation to A: 6280-fold decrease in catalytic efficiency. Does not result in any major conformational changes.; mutation to S: 2.3-fold decrease in catalytic efficiency.
H188 (= H188) binding L-aspartate; mutation to A: 100-fold decrease in catalytic efficiency. Does not result in any major conformational changes.; mutation H->K,Q,R: Loss of activity.
S318 (= S318) mutation to A: Loss of activity.
S319 (= S319) binding L-aspartate; mutation to A: Almost no change in catalytic efficiency.
I320 (= I320) mutation to A: 50-fold decrease in catalytic efficiency.
M321 (= M321) mutation to A: 338-fold decrease in catalytic efficiency.
P322 (= P322) mutation to A: Almost no change in catalytic efficiency.
K324 (= K324) binding L-aspartate; mutation to A: Loss of activity. Does not result in any major conformational changes.; mutation K->D,H,R,S,V: Loss of activity.
N326 (= N326) mutation to A: 22500-fold decrease in catalytic efficiency. Does not result in any major conformational changes.; mutation to Q: 168750-fold decrease in catalytic efficiency.

3oceA Crystal structure of fumarate lyase:delta crystallin from brucella melitensis bound to cobalt
45% identity, 94% coverage: 5:443/466 of query aligns to 3:442/461 of 3oceA

query
sites
3oceA

R

R

V

R

E

E

R

Q

D

D

S

S

M

L

G

G

D

E

I

R

D

D

V

I

P

P

Q

M

A

D

R

A

L

Y

W

F

G

G

A

I

Q

Q

T

T

Q

L

R

R

S

A

L

V

E

E

H

N

F

F

R

S

I

L

S

S

-

D

-

V

-

A

V

L

E

N

K

H

M

I

P

P

Q

-

A

A

L

L

I

V

D

R

A

A

L

L

A

A

V

M

V

V

K

K

A

A

Q

T

V

A

N

N

L

Y

D

K

L

L

G

R

L

Q

L

L

S

P

E

E

E

P

K

K

A

Y

E

A

A

A

I

I

M

V

Q

A

A

A

A

C

Q

D

E

D

V

I

I

I

D

D

G

G

F

L

R

L

Y

M

Q

E

E

Q

F

F

P

V

L

V

A

D

V

V

W

F

Q

Q

T

G

G

G

S

A

G

G

T

T

Q

S

S

S

N

N

M

M

N

N

M

A

N

N

E

E

V

V

L

I

A

A

N

N

R

R

A

A

S

L

E

E

L

H

L

L

G

G

G

R

E

P

R

R

G

G

N

D

E

Y

R

Q

K

T

V

I

H

H

P

P

N

N

D

D

V

V

N

N

K

M

S

S

Q

Q

S

S

S

T

N

N

D

D

V

V

F

Y

P

P

T

T

A

A

M

V

H

R

V

L

A

A

A

L

V

L

A

S

I

-

R

Q

Q

N

Q

Q

L

V

L

Q

P

T

Q

A

M

L

D

H

V

R

L

L

I

I

Q

A

T

A

L

F

Q

E

E

A

K

K

S

G

D

R

Q

E

F

F

R

A

H

T

I

V

V

I

K

K

I

I

G

G

R

R

T

T

H
x
Q

L

L

Q

Q

D

D

A

A

T

V

P

P

L

I

T

T

L

L

G

G

Q

Q

E

E

I

F

S

E

G

A

W

F

V

A

A

A

M

T

L

L

V

R

H

E

S

D

K

T

K

A

H

R

I

L

E

E

Y

E

G

V

L

A

E

A

H

L

L

F

Y

R

E

E

L

V

A

N

L

L

G

G

T

T

A

A

V

I

G

G

T

T

G

R

L

I

N

N

T

A

H

S

P

H

E

A

Y

Y

A

A

V

E

R

Q

V

A

A

I

K

V

A

E

I

L

A

S

Q

Q

L

I

S

S

G

G

C

I

D

E

F

L

V

K

T

A

A

T

P

G

N

N

K

L

F

V

E
|
E

A

A

L

S

A

W

S
x
D

C

T

D

G

G

A

L

F

V

V

Q

T

A

F

H

S

G

G

A

I

L

L

K

R

G

R

L

I

A

A

A

V

S

K

M

L

M

S

K

K

I

I

A

A

N

N

D

D

V

L

R

R

W

L

L

L

A

S

S

S

G

G

P

P

R

R

C

S

G

G

I

L

G

G

E

E

I

I

S

R

I

L

P

P

E

A

N

V

E

Q

P

P

G

G

S
|
S

S

S

I

I

M

M

P

P

G

G

K
|
K

V

V

N

N

P

P

T

V

Q

I

C

P

E
|
E

A

S

V

V

T

N

M

Q

L

V

C

C

A

Y

Q

Q

V

V

M

I

G

G

N

N

D

D

V

L

A

T

V

V

N

T

I

M

G

A

A

E

S

S

G

G

N

Q

F

L

E

Q

L

L

N

N

V

A

F

F

R

E

P

P

L

L

V

I

I

V

H

Y

N

N

F

I

L

L

Q

S

S

S

V

M

R

R

L

L

A

G

D

R

G

A

I

M

E

T

S

N

F

L

N

A

E

E

H

R

C

C

A

V

R

D

G

G

I

I

E

E

P

A

N

N

R

V

P

E

R

R

I

C

N

R

Q

A

L

G

L

A

N

E

E

E

S

S

L

I

M

S

L

L

V

A

T

T

A

A

L

L

N

V

T

P

H

V

I

V

G

G

Y

Y

D

A

K

R

A

A

E

E

I

I

A

A

K

K

K

Q

A

A

H

L

H

A

E

S

G

G

L

Q

T

T

L

V

K

M

E

E

S

V

A

A

L

I

M

S

L

K

G

G

active site: Q187 (≠ H188), S317 (= S318), K323 (= K324), E330 (= E331)
binding cobalt (ii) ion: E265 (= E266), D269 (≠ S270)

6s88A Fumarate hydratase of mycobacterium tuberculosis in complex with formate and allosteric modulator n-(2-methoxy-5-((1,2,4,5-tetrahydro- 3h-benzo[d]azepin-3-yl)sulfonyl)phenyl)-2-(4-oxo-3,4- dihydrophthalazin-1-yl)acetamide (see paper)
47% identity, 95% coverage: 5:445/466 of query aligns to 2:428/450 of 6s88A

query
sites
6s88A

R

R

V

I

E

E

R

H

D

D

S

T

M

M

G

G

D

E

I

V

D

R

V

V

P

P

Q

A

A

K

R

A

L

L

W

W

G

R

A

A

Q

Q

T

T

Q

Q

R

R

S

A

L

V

E

E

H

N

F

F

R

P

I

I

S

S

V

G

E

R

K

G

M

L

P

E

Q

R

A

T

L

Q

I

I

D

R

A

A

L

L

A

G

V

L

K

K

K

G

A

A

A

C

A

A

Q

Q

V

V

N

N

L

S

D

D

L

L

G

G

L

L

S

A

E

P

E

E

K

K

A

A

E

D

A

A

I

I

M

I

Q

A

A

A

Q

A

E

E

V

I

I

A

D

D

G

G

F

Q

R

H

Y

D

Q

D

E

Q

F

F

P

P

L

I

A

D

V

V

W

F

Q

Q

T

T

G

G

S

S

G

G

T

T

Q

S

S

S

N

N

M

M

N

N

M

T

N

N

E

E

V

V

L

I

A

A

N

S

R

I

A

A

S

A

E

K

L

-

G

G

E

V

R

-

G

-

N

-

E

-

R

-

K

T

V

L

H

H

P

P

N

N

D

D

V

V

N

N

K

M

S

S

Q

Q

S

S

N

N

D

D

V

T

F

F

P

P

T

T

A

A

M

T

H

H

V

I

A

A

V

T

V

E

A

A

I

A

R

V

Q

A

Q

H

L

L

L

I

P

P

Q

A

M

L

D

Q

V

Q

L

L

I

H

Q

D

T

A

L

L

Q

A

E

A

K

K

S

A

D

L

Q

D

F

W

R

H

H

T

I

V

V

V

K

K

I

S

G

G

R

R

T

T

H

H

L

L

Q

M

D

D

A

A

T

V

P

P

L

V

T

T

L

L

G

G

Q

Q

E

E

I

F

S

S

G

G

W

Y

V

A

A

R

M

Q

L

I

V

E

H

A

S

G

K

I

K

E

H

R

I

V

E

R

Y

A

G

C

L

L

E

P

H

R

L

L

Y

G

E

E

L

L

A

A

L

I

G

G

T

T

A

A

V

V

G

G

T

T

G

G

L

L

N

N

T

A

H

P

P

D

E

D

Y

F

A

G

V

V

R

R

-

V

V

V

A

A

K

V

A

L

I

V

A

A

Q

Q

L

T

S

G

G

L

C

S

D

E

F

L

V

R

T

T

A

A

P

A

N

N

K

S

F

F

E

E

A

A

L

Q

A

A

S

A

C

R

D

D

G

G

L

L

V

V

Q

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A

A

H

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G

G

A

A

L

L

K

R

G

T

L

I

A

A

A

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S

S

M

L

M

T

K

K

I

I

A

A

N

N

D

D

V

I

R

R

W

W

L

M

A

G

S

S

G

G

P

P

R
x
L

C

T

G

G

I

L

G
x
A

E

E

I

I

S

Q

I

L

P

P

E

D

N

-

E

-

P

-

G

-

S

-

I

-

M

-

P

L

G

G

K

K

V

V

N

N

P

P

T

V

Q

L

C

P

E

E

A

A

V

V

T

T

M

Q

L

V

C

A

A

A

Q

Q

V

V

M

I

G

G

N

N

D

D

V

A

A

A

V

I

N

A

I

W

G

G

A

A

S

N

G

G

N

A

F

F

E

E

L

L

N

N

V

V

F

Y

R

I

P

P

L

M

V

M

I

A

H

R

N

N

F

I

L

L

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F

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K

L

L

A

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N

G

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F

F

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A

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H

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C

C

A

I

R

A

G

G

I

L

E

T

P

A

N

N

R

V

P

E

R
x
H

I

L

N

R

Q

R

L
|
L

L

A

N

E

E

S

S

S

L

P

M

S

L

I

V

V

T

T

A

P

L

L

N

N

T

S

H

A

I

I

G

G

Y

Y

D

E

K

E

A

A

E

A

I

V

A

A

K

K

K

Q

A

A

H
x
L

H

K

E

E

G
x
R

L

K

T

T

L

I

K

R

E

Q

S

T

A

V

L

I

M

D

L

R

G

G

Y

L

V

I

binding ~{N}-[2-methoxy-5-(1,2,4,5-tetrahydro-3-benzazepin-3-ylsulfonyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide: L294 (≠ R303), A298 (≠ G307), H380 (≠ R397), L384 (= L401), L412 (≠ H429), R415 (≠ G432), R415 (≠ G432)

6s7wA Fumarate hydratase of mycobacterium tuberculosis in complex with formate and allosteric modulator n-(5-(azepan-1-ylsulfonyl)-2- methoxyphenyl)-2-(quinolin-4-yl)acetamide (see paper)
47% identity, 95% coverage: 5:445/466 of query aligns to 2:428/450 of 6s7wA

query
sites
6s7wA

R

R

V

I

E

E

R

H

D

D

S

T

M

M

G

G

D

E

I

V

D

R

V

V

P

P

Q

A

A

K

R

A

L

L

W

W

G

R

A

A

Q

Q

T

T

Q

Q

R

R

S

A

L

V

E

E

H

N

F

F

R

P

I

I

S

S

V

G

E

R

K

G

M

L

P

E

Q

R

A

T

L

Q

I

I

D

R

A

A

L

L

A

G

V

L

K

K

K

G

A

A

A

C

A

A

Q

Q

V

V

N

N

L

S

D

D

L

L

G

G

L

L

S

A

E

P

E

E

K

K

A

A

E

D

A

A

I

I

M

I

Q

A

A

A

Q

A

E

E

V

I

I

A

D

D

G

G

F

Q

R

H

Y

D

Q

D

E

Q

F

F

P

P

L

I

A

D

V

V

W

F

Q

Q

T

T

G

G

S

S

G

G

T

T

Q

S

S

S

N

N

M

M

N

N

M

T

N

N

E

E

V

V

L

I

A

A

N

S

R

I

A

A

S

A

E

K

L

-

G

G

E

V

R

-

G

-

N

-

E

-

R

-

K

T

V

L

H

H

P

P

N

N

D

D

V

V

N

N

K

M

S

S

Q

Q

S

S

N

N

D

D

V

T

F

F

P

P

T

T

A

A

M

T

H

H

V

I

A

A

V

T

V

E

A

A

I

A

R

V

Q

A

Q

H

L

L

L

I

P

P

Q

A

M

L

D

Q

V

Q

L

L

I

H

Q

D

T

A

L

L

Q

A

E

A

K

K

S

A

D

L

Q

D

F

W

R

H

H

T

I

V

V

V

K

K

I

S

G

G

R

R

T

T

H

H

L

L

Q

M

D

D

A

A

T

V

P

P

L

V

T

T

L

L

G

G

Q

Q

E

E

I

F

S

S

G

G

W

Y

V

A

A

R

M

Q

L

I

V

E

H

A

S

G

K

I

K

E

H

R

I

V

E

R

Y

A

G

C

L

L

E

P

H

R

L

L

Y

G

E

E

L

L

A

A

L

I

G

G

T

T

A

A

V

V

G

G

T

T

G

G

L

L

N

N

T

A

H

P

P

D

E

D

Y

F

A

G

V

V

R

R

-

V

V

V

A

A

K

V

A

L

I

V

A

A

Q

Q

L

T

S

G

G

L

C

S

D

E

F

L

V

R

T

T

A

A

P

A

N

N

K

S

F

F

E

E

A

A

L

Q

A

A

S

A

C

R

D

D

G

G

L

L

V

V

Q

E

A

A

H

S

G

G

A

A

L

L

K

R

G

T

L

I

A

A

A

V

S

S

M

L

M

T

K

K

I

I

A

A

N

N

D

D

V

I

R

R

W

W

L

M

A

G

S

S

G

G

P

P

R
x
L

C
x
T

G

G

I

L

G
x
A

E

E

I

I

S

Q

I

L

P

P

E

D

N

-

E

-

P

-

G

-

S

-

I

-

M

-

P

L

G

G

K

K

V

V

N

N

P

P

T

V

Q

L

C

P

E

E

A

A

V

V

T

T

M

Q

L

V

C

A

A

A

Q

Q

V

V

M

I

G

G

N

N

D

D

V

A

A

A

V

I

N

A

I

W

G

G

A

A

S

N

G

G

N

A

F

F

E

E

L

L

N

N

V

V

F

Y

R

I

P

P

L

M

V

M

I

A

H

R

N

N

F

I

L

L

Q

E

S

S

V

F

R

K

L

L

A

T

D

N

G

V

I

S

E

R

S

L

F

F

N

A

E

Q

H

R

C

C

A

I

R

A

G

G

I

L

E

T

P

A

N

N

R

V

P

E

R
x
H

I

L

N

R

Q
x
R

L
|
L

L

A

N

E

E

S

S

S

L

P

M

S

L

I

V

V

T

T

A

P

L

L

N

N

T

S

H

A

I

I

G

G

Y

Y

D

E

K

E

A

A

E

A

I

V

A

A

K

K

K

Q

A

A

H

L

H

K

E

E

G
x
R

L

K

T

T

L

I

K

R

E

Q

S

T

A

V

L

I

M

D

L

R

G

G

Y

L

V

I

binding ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-2-quinolin-4-yl-ethanamide: L294 (≠ R303), T295 (≠ C304), A298 (≠ G307), H380 (≠ R397), R383 (≠ Q400), L384 (= L401), R415 (≠ G432), R415 (≠ G432)

6s7sA Fumarate hydratase of mycobacterium tuberculosis in complex with formate and allosteric modulator n-(2-methoxy-5-(n-phenylsulfamoyl) phenyl)-2-(4-oxo-3,4-dihydrophthalazin-1-yl)acetamide (see paper)
47% identity, 95% coverage: 5:445/466 of query aligns to 2:428/450 of 6s7sA

query
sites
6s7sA

R

R

V

I

E

E

R

H

D

D

S

T

M

M

G

G

D

E

I

V

D

R

V

V

P

P

Q

A

A

K

R

A

L

L

W

W

G

R

A

A

Q

Q

T

T

Q

Q

R

R

S

A

L

V

E

E

H

N

F

F

R

P

I

I

S

S

V

G

E

R

K

G

M

L

P

E

Q

R

A

T

L

Q

I

I

D

R

A

A

L

L

A

G

V

L

K

K

K

G

A

A

A

C

A

A

Q

Q

V

V

N

N

L

S

D

D

L

L

G

G

L

L

S

A

E

P

E

E

K

K

A

A

E

D

A

A

I

I

M

I

Q

A

A

A

Q

A

E

E

V

I

I

A

D

D

G

G

F

Q

R

H

Y

D

Q

D

E

Q

F

F

P

P

L

I

A

D

V

V

W

F

Q

Q

T

T

G

G

S

S

G

G

T

T

Q

S

S

S

N

N

M

M

N

N

M

T

N

N

E

E

V

V

L

I

A

A

N

S

R

I

A

A

S

A

E

K

L

-

G

G

E

V

R

-

G

-

N

-

E

-

R

-

K

T

V

L

H

H

P

P

N

N

D

D

V

V

N

N

K

M

S

S

Q

Q

S

S

N

N

D

D

V

T

F

F

P

P

T

T

A

A

M

T

H

H

V

I

A

A

V

T

V

E

A

A

I

A

R

V

Q

A

Q

H

L

L

L

I

P

P

Q

A

M

L

D

Q

V

Q

L

L

I

H

Q

D

T

A

L

L

Q

A

E

A

K

K

S

A

D

L

Q

D

F

W

R

H

H

T

I

V

V

V

K

K

I

S

G

G

R

R

T

T

H

H

L

L

Q

M

D

D

A

A

T

V

P

P

L

V

T

T

L

L

G

G

Q

Q

E

E

I

F

S

S

G

G

W

Y

V

A

A

R

M

Q

L

I

V

E

H

A

S

G

K

I

K

E

H

R

I

V

E

R

Y

A

G

C

L

L

E

P

H

R

L

L

Y

G

E

E

L

L

A

A

L

I

G

G

T

T

A

A

V

V

G

G

T

T

G

G

L

L

N

N

T

A

H

P

P

D

E

D

Y

F

A

G

V

V

R

R

-

V

V

V

A

A

K

V

A

L

I

V

A

A

Q

Q

L

T

S

G

G

L

C

S

D

E

F

L

V

R

T

T

A

A

P

A

N

N

K

S

F

F

E

E

A

A

L

Q

A

A

S

A

C

R

D

D

G

G

L

L

V

V

Q

E

A

A

H

S

G

G

A

A

L

L

K

R

G

T

L

I

A

A

A

V

S

S

M

L

M

T

K

K

I

I

A

A

N

N

D

D

V

I

R

R

W

W

L

M

A

G

S

S

G

G

P

P

R
x
L

C
x
T

G

G

I

L

G
x
A

E

E

I

I

S

Q

I

L

P

P

E

D

N

-

E

-

P

-

G

-

S

-

I

-

M

-

P

L

G

G

K

K

V

V

N

N

P

P

T

V

Q

L

C

P

E

E

A

A

V

V

T

T

M

Q

L

V

C

A

A

A

Q

Q

V

V

M

I

G

G

N

N

D

D

V

A

A

A

V

I

N

A

I

W

G

G

A

A

S

N

G

G

N

A

F

F

E

E

L

L

N

N

V

V

F

Y

R

I

P

P

L

M

V

M

I

A

H

R

N

N

F

I

L

L

Q

E

S

S

V

F

R

K

L

L

A

T

D

N

G

V

I

S

E

R

S

L

F

F

N

A

E

Q

H

R

C

C

A

I

R

A

G

G

I

L

E

T

P

A

N
|
N

R

V

P

E

R
x
H

I

L

N

R

Q
x
R

L
|
L

L

A

N

E

E

S

S

S

L

P

M

S

L

I

V

V

T

T

A

P

L

L

N

N

T

S

H

A

I

I

G

G

Y

Y

D

E

K

E

A

A

E

A

I

V

A

A

K

K

K

Q

A

A

H
x
L

H

K

E

E

G
x
R

L

K

T

T

L

I

K

R

E

Q

S

T

A

V

L

I

M

D

L

R

G

G

Y

L

V

I

binding ~{N}-[2-methoxy-5-(phenylsulfamoyl)phenyl]-2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanamide: L294 (≠ R303), T295 (≠ C304), A298 (≠ G307), N377 (= N394), H380 (≠ R397), R383 (≠ Q400), L384 (= L401), L412 (≠ H429), R415 (≠ G432), R415 (≠ G432)

Query Sequence

>WP_008813534.1 NCBI__GCF_001655005.1:WP_008813534.1
MTAMRVERDSMGDIDVPQARLWGAQTQRSLEHFRISVEKMPQALIDALAVVKKAAAQVNL
DLGLLSEEKAEAIMQAAQEVIDGFRYQEFPLAVWQTGSGTQSNMNMNEVLANRASELLGG
ERGNERKVHPNDDVNKSQSSNDVFPTAMHVAAVVAIRQQLLPQMDVLIQTLQEKSDQFRH
IVKIGRTHLQDATPLTLGQEISGWVAMLVHSKKHIEYGLEHLYELALGGTAVGTGLNTHP
EYAVRVAKAIAQLSGCDFVTAPNKFEALASCDGLVQAHGALKGLAASMMKIANDVRWLAS
GPRCGIGEISIPENEPGSSIMPGKVNPTQCEAVTMLCAQVMGNDVAVNIGGASGNFELNV
FRPLVIHNFLQSVRLLADGIESFNEHCARGIEPNRPRINQLLNESLMLVTALNTHIGYDK
AAEIAKKAHHEGLTLKESALMLGYVTAAQFDEWVRPQDMVGSTIRS

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