SitesBLAST

K135 (≠ S130) modified: N6-succinyllysine; mutation to E: Nearly wild-type levels of succinylation in vitro, reduces specific activity 8-fold.
135:142 (vs. 130:137, 50% identical) mutation to EFGISEAE: Very low levels of succinylation in vitro, reduces specific activity 15-fold.
K142 (= K137) modified: N6-succinyllysine; mutation to E: About 50% succinylation in vitro, reduces specific activity 7-fold.

5zaiC Crystal structure of 3-hydroxypropionyl-coa dehydratase from metallosphaera sedula (see paper)
37% identity, 95% coverage: 15:264/264 of query aligns to 12:259/259 of 5zaiC

query
sites
5zaiC

G

G

H

N

I

L

A

F

V

W

I

I

T

T

L

L

N

N

R

R

P

P

E

D

A
x
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M
x
L

N

N

S

A

V

L

N

N

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L

A

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T

E

G

E

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A

A

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E

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D

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P

E

E

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I

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R

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A

G

T

K

G

G

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K

A

A

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F

C

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A
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A

G
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M
x
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D

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x
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F

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-

E

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K

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N

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G

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active site: A65 (≠ M68), F70 (= F73), S82 (≠ A90), R86 (= R94), G110 (= G112), E113 (= E115), P132 (= P134), E133 (= E135), I138 (≠ L140), P140 (≠ A142), G141 (≠ A143), A226 (≠ D224), F236 (= F241)
binding coenzyme a: K24 (≠ A27), L25 (≠ M28), A63 (= A66), G64 (= G67), A65 (≠ M68), D66 (= D69), I67 (≠ L70), P132 (= P134), R166 (≠ A168), F248 (= F253), K251 (= K256)

Q4WF54 Mevalonyl-coenzyme A hydratase sidH; Siderophore biosynthesis protein H; EC 4.2.1.- from Aspergillus fumigatus (strain ATCC MYA-4609 / CBS 101355 / FGSC A1100 / Af293) (Neosartorya fumigata) (see paper)
39% identity, 94% coverage: 16:262/264 of query aligns to 20:266/270 of Q4WF54

query
sites
Q4WF54

H

H

I

I

A

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L

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L

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A

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R

Sites not aligning to the query:

268:270 PTS1-type peroxisomal targeting signal

3q0jC Crystal structure of the mycobacterium tuberculosis crotonase in complex with the inhibitor acetoacetylcoa
37% identity, 95% coverage: 10:261/264 of query aligns to 7:254/255 of 3q0jC

query
sites
3q0jC

L

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L

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active site: A65 (≠ M68), M70 (≠ F73), T80 (≠ S80), F84 (≠ H84), G108 (= G112), E111 (= E115), P130 (= P134), E131 (= E135), V136 (≠ L140), P138 (≠ A142), G139 (≠ A143), L224 (≠ W230), F234 (= F241)
binding acetoacetyl-coenzyme a: Q23 (≠ E26), A24 (= A27), L25 (≠ M28), A27 (≠ S30), A63 (= A66), G64 (= G67), A65 (≠ M68), D66 (= D69), I67 (≠ L70), K68 (= K71), M70 (≠ F73), F84 (≠ H84), G107 (= G111), G108 (= G112), E111 (= E115), P130 (= P134), E131 (= E135), P138 (≠ A142), G139 (≠ A143), M140 (≠ A144)

3q0gC Crystal structure of the mycobacterium tuberculosis crotonase bound to a reaction intermediate derived from crotonyl coa
37% identity, 95% coverage: 10:261/264 of query aligns to 7:254/255 of 3q0gC

query
sites
3q0gC

L

L

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E

V

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P

A

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-

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active site: A65 (≠ M68), M70 (≠ F73), T80 (≠ S80), F84 (≠ H84), G108 (= G112), E111 (= E115), P130 (= P134), E131 (= E135), V136 (≠ L140), P138 (≠ A142), G139 (≠ A143), L224 (≠ W230), F234 (= F241)
binding coenzyme a: L25 (≠ M28), A63 (= A66), I67 (≠ L70), K68 (= K71), Y104 (≠ F108), P130 (= P134), E131 (= E135), L134 (≠ R138)

3h81A Crystal structure of enoyl-coa hydratase from mycobacterium tuberculosis (see paper)
37% identity, 95% coverage: 10:261/264 of query aligns to 6:253/256 of 3h81A

query
sites
3h81A

L

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W

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G

A

M

G

G

V

S

L

Q

R

R

L

L

P

T

R

R

Q

A

I

I

P

G

I

K

R

A

L

K

A

A

M

M

E

D

L

L

A

I

L

L

T

T

G

G

R

R

A

T

V

M

T

D

A

A

E

E

A

A

A

E

E

R

I

S

G

G

L

L

V

V

N

S

R

R

V

V

-

P

A

A

D

D

A

L

L

L

M

T

D

E

A

A

-

R

-

A

-

T

A

A

L

T

E

T

L

I

A

S

E

Q

Q

M

I

S

A

A

A

S

N

A

A

A

P

R

L

M

A

A

V

K

Q

E

A

A

T

V

K

N

R

R

M

A

I

-

L

-

E

-

Q

-

A

-

R

-

F

F

G

E

S

S

D

S

L

L

D

S

D

E

E

G

I

L

W
x
L

Q

-

H

Y

H

E

D

R

R

R

V

L

L

F

L

H

P

S

V

A

F
|
F

Q

A

T

T

K

E

D

D

A
x
Q

M

S

E

E

G

G

A

M

V

A

A

A

F

F

A

I

E

E

K

K

R

R

P

A

P

P

V

Q

W

F

active site: A64 (≠ M68), M69 (≠ F73), T79 (≠ S80), F83 (≠ H84), G107 (= G112), E110 (= E115), P129 (= P134), E130 (= E135), V135 (≠ L140), P137 (≠ A142), G138 (≠ A143), L223 (≠ W230), F233 (= F241)
binding calcium ion: F233 (= F241), Q238 (≠ A246)

1mj3A Crystal structure analysis of rat enoyl-coa hydratase in complex with hexadienoyl-coa (see paper)
37% identity, 93% coverage: 17:262/264 of query aligns to 17:256/258 of 1mj3A

query
sites
1mj3A

I

V

A

G

V

L

I

I

T

Q

L

L

N

N

R

R

P

P

E
x
K

A
|
A

M
x
L

N

N

S
x
A

V

L

N

C

R

N

S

G

L

L

A

I

T

E

G

E

L

L

G

N

H

Q

G

A

L

L

D

E

R

T

A

F

E

E

Q

E

D

D

P

P

E

A

V

V

R

G

A

A

V

I

V

V

V

L

T

T

A

G

T

G

G

E

R

K

A

A

F

F

C

A

A
|
A

G
|
G

M
x
A

D
|
D

L
x
I

K

K

A

E

F
x
M

A

Q

-

N

R

R

G

T

E

F

D

Q

V

D

S

C

V

Y

E
x
S

G

G

H
x
L

A

S

E

H

W

W

G

D

F

H

A

-

G

-

M

I

V

T

R

R

H

-

P

-

I

I

S

K

K

K

P

P

V

V

I

I

A

A

V

V

N

N

G

G

F

Y

A

A

M

L

G

G

G
|
G

G

G

T

C

E
|
E

I

L

V

A

L

M

A

M

A

C

D

D

L

I

A

I

V

Y

A

A

A

G

E

E

S

K

A

A

S

Q

F

F

G

G

L

Q

P
|
P

E
|
E

V

I

K

L

R
x
L

G

G

L
x
T

V

I

A
x
P

A
x
G

A

A

G

G

V

T

L

Q

R

R

L

L

P

T

R

R

Q

A

I

V

P

G

I

K

R

S

L

L

A

A

M

M

E

E

L

M

A

V

L

L

T

T

G

G

R

D

A

R

V

I

T

S

A

A

A

Q

E

D

A

A

A

K

E

Q

I

A

G

G

L

L

V

V

N

S

R

K

V

I

V

F

A

P

D

V

D

E

A

T

L

L

M

V

D

E

A

E

A

A

L

I

E

Q

L

C

A

A

E

E

Q

K

I

I

A

A

A

N

N

N

A

S

P

K

L

I

A

I

V

V

Q

A

A

M

T

A

K

K

R

E

M

S

I

V

L

-

E

-

Q

N

A

A

R

A

F

F

G

E

S

M

D

T

L

L

D

-

D

T

E

E

I

G

W

N

Q
x
K

H

L

H

E

D

K

R

K

V

L

L

F

L

Y

P

S

V

T

F
|
F

Q

A

T

T

K

D

D

D

A

R

M

R

E

E

G

G

A

M

V

S

A

A

F

F

A

V

E

E

K

K

R

R

P

K

P

A

V

N

W

F

R

K

active site: A68 (≠ M68), M73 (≠ F73), S83 (≠ E82), L85 (≠ H84), G109 (= G112), E112 (= E115), P131 (= P134), E132 (= E135), T137 (≠ L140), P139 (≠ A142), G140 (≠ A143), K225 (≠ Q231), F235 (= F241)
binding hexanoyl-coenzyme a: K26 (≠ E26), A27 (= A27), L28 (≠ M28), A30 (≠ S30), A66 (= A66), G67 (= G67), A68 (≠ M68), D69 (= D69), I70 (≠ L70), G109 (= G112), P131 (= P134), E132 (= E135), L135 (≠ R138), G140 (≠ A143)

3q0gD Crystal structure of the mycobacterium tuberculosis crotonase bound to a reaction intermediate derived from crotonyl coa
38% identity, 95% coverage: 10:261/264 of query aligns to 6:249/250 of 3q0gD

query
sites
3q0gD

L

L

Y

V

E

E

V

R

R

D

G

Q

H

R

I

V

A

G

V

I

I

I

T

T

L

L

N

N

R

R

P

P

E

Q

A

A

M

L

N

N

S

A

V

L

N

N

R

S

S

Q

L

V

A

M

T

N

G

E

L

V

G

T

H

S

G

A

L

A

D

T

R

E

A

L

E

D

Q

D

D

D

P

P

E

D

V

I

R

G

A

A

V

I

T

T

A

G

T

S

G

A

R

K

A

A

F

F

C

A

A

A

G

G

M
x
A

D

D

L

I

K

K

-

E

A
x
M

F

F

A

A

R

-

G

-

E

D

D

A

V

F

S
x
T

V

A

E

D

G

F

H
x
F

A

A

E

T

W

W

G

G

F

K

A

L

G

A

M

A

V

V

R

R

H

-

P

-

I

-

S

-

K

T

P

P

V

T

I

I

A

A

V

V

N

A

G

G

F

Y

A

A

M

L

G

G

G
|
G

G

G

T

C

E
|
E

I

L

V

A

L

M

A

M

A

C

D

D

L

V

A

L

V

I

A

A

E

D

S

T

A

A

S

K

F

F

G

G

L

Q

P
|
P

E
|
E

V

I

K

K

R

L

G

G

L
x
V

V

L

A
x
P

A
x
G

A

M

G

G

V

S

L

Q

R

R

L

L

P

T

R

R

Q

A

I

I

P

G

I

K

R

A

L

K

A

A

M

M

E

D

L

L

A

I

L

L

T

T

G

G

R

R

A

T

V

M

T

D

A

A

E

E

A

A

A

E

E

R

I

S

G

G

L

L

V

V

N

S

R

R

V

V

-

P

A

A

D

D

A

L

L

L

M

T

D

E

A

A

-

R

-

A

-

T

A

A

L

T

E

T

L

I

A

S

E

Q

Q

M

I

S

A

A

A

S

N

A

A

A

P

R

L

M

A

A

V

K

Q

E

A

A

T

V

K

N

R

R

M

A

I

-

L

-

E

-

Q

-

A

-

R

-

F

F

G

E

S

S

D

S

L

L

D

S

D

E

E

G

I

L

W
x
L

Q

-

H

Y

H

E

D

R

R

R

V

L

L
x
F

L

H

P

S

V

A

F
|
F

Q

A

T

T

K

E

D

D

A

Q

M

S

E

E

G

G

A

M

V

A

A

A

F
|
F

A

I

E

E

K

K

R

R

P

A

P

P

V

Q

W

F

active site: A64 (≠ M68), M69 (≠ A72), T75 (≠ S80), F79 (≠ H84), G103 (= G112), E106 (= E115), P125 (= P134), E126 (= E135), V131 (≠ L140), P133 (≠ A142), G134 (≠ A143), L219 (≠ W230), F229 (= F241)
binding Butyryl Coenzyme A: F225 (≠ L237), F241 (= F253)

2dubA Enoyl-coa hydratase complexed with octanoyl-coa (see paper)
37% identity, 93% coverage: 17:262/264 of query aligns to 16:252/254 of 2dubA

query
sites
2dubA

I

V

A

G

V

L

I

I

T

Q

L

L

N

N

R

R

P

P

E
x
K

A
|
A

M
x
L

N

N

S
x
A

V

L

N

C

R

N

S

G

L

L

A

I

T

E

G

E

L

L

G

N

H

Q

G

A

L

L

D

E

R

T

A

F

E

E

Q

E

D

D

P

P

E

A

V

V

R

G

A

A

V

I

V

V

V

L

T

T

A

G

T

G

G

E

R

K

A

A

F

F

C

A

A
|
A

G

G

M
x
A

D
|
D

L
x
I

K
|
K

A

E

F
x
M

A

Q

R

N

G

-

E

-

D

R

V

T

S

F

V

Q

E

D

G

C

H

Y

A
x
S

E

H

W

W

G

D

F

H

A

-

G

-

M

I

V

T

R

R

H

-

P

-

I

I

S

K

K

K

P

P

V

V

I

I

A

A

V

V

N

N

G

G

F

Y

A

A

M

L

G

G

G
|
G

G

G

T

C

E
|
E

I

L

V

A

L

M

A

M

A

C

D

D

L

I

A

I

V

Y

A

A

A

G

E

E

S

K

A

A

S

Q

F

F

G

G

L

Q

P
|
P

E
|
E

V

I

K

L

R

L

G

G

L
x
T

V

I

A
x
P

A
x
G

A
|
A

G

G

V

T

L

Q

R

R

L

L

P

T

R

R

Q

A

I

V

P

G

I

K

R

S

L

L

A

A

M

M

E

E

L

M

A

V

L

L

T

T

G

G

R

D

A

R

V

I

T

S

A

A

A

Q

E

D

A

A

A

K

E

Q

I

A

G

G

L

L

V

V

N

S

R

K

V

I

V

F

A

P

D

V

D

E

A

T

L

L

M

V

D

E

A

E

A

A

L

I

E

Q

L

C

A

A

E

E

Q

K

I

I

A

A

A

N

N

N

A

S

P

K

L

I

A

I

V

V

Q

A

A

M

T

A

K

K

R

E

M

S

I

V

L

-

E

-

Q

N

A

A

R

A

F

F

G

E

S

M

D

T

L

L

D

-

D

T

E

E

I

G

W

N

Q
x
K

H

L

H

E

D

K

R

K

V

L

L

F

L

Y

P

S

V

T

F
|
F

Q

A

T

T

K

D

D

D

A

R

M

R

E

E

G

G

A

M

V

S

A

A

F

F

A

V

E

E

K

K

R

R

P

K

P

A

V

N

W

F

R

K

active site: A67 (≠ M68), M72 (≠ F73), S82 (≠ A85), G105 (= G112), E108 (= E115), P127 (= P134), E128 (= E135), T133 (≠ L140), P135 (≠ A142), G136 (≠ A143), K221 (≠ Q231), F231 (= F241)
binding octanoyl-coenzyme a: K25 (≠ E26), A26 (= A27), L27 (≠ M28), A29 (≠ S30), A65 (= A66), A67 (≠ M68), D68 (= D69), I69 (≠ L70), K70 (= K71), G105 (= G112), E108 (= E115), P127 (= P134), E128 (= E135), G136 (≠ A143), A137 (= A144)

2hw5C The crystal structure of human enoyl-coenzyme a (coa) hydratase short chain 1, echs1
36% identity, 96% coverage: 12:264/264 of query aligns to 9:260/260 of 2hw5C

query
sites
2hw5C

E

E

V

K

R

R

G

G

H

K

-

N

-

T

I

V

A

G

V

L

I

I

T

Q

L

L

N

N

R

R

P

P

E
x
K

A
|
A

M
x
L

N

N

S
x
A

V

L

N

C

R

D

S

G

L

L

A

I

T

D

G

E

L

L

G

N

H

Q

G

A

L

L

D

K

R

I

A

F

E

E

Q

E

D

D

P

P

E

A

V

V

R

G

A

A

V

I

V

V

V

L

T

T

A

G

T

G

G

D

R
x
K

A

A

F

F

C

A

A

A

G

G

M
x
A

D

D

L
x
I

K

K

A

E

F
x
M

A

-

R

-

G

-

E

Q

D

N

V

L

S

S

V

F

E

Q

G

D

H

C

A

Y

E
x
S

W

S

G

K

F

F

A
x
L

G

K

M

H

V

W

R

D

H

H

-

L

-

T

P

Q

I

V

S

K

K

K

P

P

V

V

I

I

A

A

V

V

N

N

G

G

F

Y

A

A

M
x
F

G

G

G
|
G

G

G

T

C

E
|
E

I

L

V

A

L

M

A

M

A

C

D

D

L

I

A

I

V

Y

A

A

A

G

E

E

S

K

A

A

S

Q

F

F

G

A

L

Q

P
|
P

E
|
E

V

I

K

L

R

I

G

G

L
x
T

V

I

A
x
P

A
x
G

A

A

G

G

V

T

L

Q

R

R

L

L

P

T

R

R

Q

A

I

V

P

G

I

K

R

S

L

L

A

A

M

M

E

E

L

M

A

V

L

L

T

T

G

G

R

D

A

R

V

I

T

S

A

A

A

Q

E

D

A

A

A

K

E

Q

I

A

G

G

L

L

V

V

N

S

R

K

V

I

V

C

A

P

D

V

D

E

A

T

L

L

M

V

D

E

A

E

A

A

L

I

E

Q

L

C

A

A

E

E

Q

K

I

I

A

A

A

S

N

N

A

S

P

K

L

I

A

V

V

V

Q

A

A

M

T

A

K

K

R

E

M

S

I

V

L

-

E

-

Q

N

A

A

R

A

F

F

G

E

S

M

D

T

L

L

D

-

D

T

E

E

I

G

W

S

Q
x
K

H

L

H

E

D

K

R

K

V

L

L

F

L

Y

P

S

V

T

F
|
F

Q

A

T

T

K

D

D

D

A

R

M

K

E

E

G

G

A

M

V

T

A

A

F

F

A

V

E

E

K

K

R

R

P

K

P

A

V

N

W

F

R

K

G

D

E

Q

active site: A68 (≠ M68), M73 (≠ F73), S83 (≠ E86), L87 (≠ A90), G111 (= G112), E114 (= E115), P133 (= P134), E134 (= E135), T139 (≠ L140), P141 (≠ A142), G142 (≠ A143), K227 (≠ Q231), F237 (= F241)
binding crotonyl coenzyme a: K26 (≠ E26), A27 (= A27), L28 (≠ M28), A30 (≠ S30), K62 (≠ R62), I70 (≠ L70), F109 (≠ M110)

1ey3A Structure of enoyl-coa hydratase complexed with the substrate dac-coa (see paper)
36% identity, 93% coverage: 17:262/264 of query aligns to 15:256/258 of 1ey3A

query
sites
1ey3A

I

V

A

G

V

L

I

I

T

Q

L

L

N

N

R

R

P

P

E
x
K

A

A

M
x
L

N

N

S
x
A

V

L

N

C

R

N

S

G

L

L

A

I

T

E

G

E

L

L

G

N

H

Q

G

A

L

L

D

E

R

T

A

F

E

E

Q

E

D

D

P

P

E

A

V

V

R

G

A

A

V

I

V

V

V

L

T

T

A

G

T

G

G

E

R

K

A

A

F

F

C

A

A
|
A

G
|
G

M
x
A

D
|
D

L
x
I

K

K

A

E

F
x
M

A

-

R

-

G

-

E

Q

D

N

V

R

S

T

V

F

E

Q

G

D

H

C

A

Y

E
x
S

W

G

G

K

F

F

A
x
L

G

S

M

H

V
x
W

R

D

H

H

-

I

-

T

P

R

I

I

S

K

K

K

P

P

V

V

I

I

A

A

V

V

N

N

G

G

F

Y

A

A

M

L

G

G

G
|
G

G

G

T

C

E
|
E

I

L

V

A

L

M

A

M

A

C

D

D

L

I

A

I

V

Y

A

A

A

G

E

E

S

K

A

A

S

Q

F

F

G

G

L

Q

P
|
P

E
|
E

V

I

K

L

R
x
L

G

G

L
x
T

V

I

A
x
P

A
x
G

A

A

G

G

V

T

L

Q

R

R

L

L

P

T

R

R

Q

A

I

V

P

G

I

K

R

S

L

L

A

A

M

M

E

E

L

M

A

V

L

L

T

T

G

G

R

D

A

R

V

I

T

S

A

A

A

Q

E

D

A

A

A

K

E

Q

I

A

G

G

L

L

V

V

N

S

R

K

V

I

V

F

A

P

D

V

D

E

A

T

L

L

M

V

D

E

A

E

A

A

L

I

E

Q

L

C

A

A

E

E

Q

K

I

I

A

A

A

N

N

N

A

S

P

K

L

I

A

I

V

V

Q

A

A

M

T

A

K

K

R

E

M

S

I

V

L

-

E

-

Q

N

A

A

R

A

F

F

G

E

S

M

D

T

L

L

D

-

D

T

E

E

I

G

W

N

Q
x
K

H

L

H

E

D

K

R

K

V

L

L

F

L

Y

P

S

V

T

F
|
F

Q

A

T

T

K

D

D

D

A

R

M

R

E

E

G

G

A

M

V

S

A

A

F

F

A

V

E

E

K

K

R

R

P

K

P

A

V

N

W

F

R

K

active site: A66 (≠ M68), M71 (≠ F73), S81 (≠ E86), L85 (≠ A90), G109 (= G112), E112 (= E115), P131 (= P134), E132 (= E135), T137 (≠ L140), P139 (≠ A142), G140 (≠ A143), K225 (≠ Q231), F235 (= F241)
binding 4-(n,n-dimethylamino)cinnamoyl-coa: K24 (≠ E26), L26 (≠ M28), A28 (≠ S30), A64 (= A66), G65 (= G67), A66 (≠ M68), D67 (= D69), I68 (≠ L70), L85 (≠ A90), W88 (≠ V93), G109 (= G112), P131 (= P134), L135 (≠ R138), G140 (≠ A143)

1dubA 2-enoyl-coa hydratase, data collected at 100 k, ph 6.5 (see paper)
36% identity, 93% coverage: 17:262/264 of query aligns to 17:258/260 of 1dubA

query
sites
1dubA

I

V

A

G

V

L

I

I

T

Q

L

L

N

N

R

R

P

P

E
x
K

A
|
A

M
x
L

N

N

S
x
A

V

L

N

C

R

N

S

G

L

L

A

I

T

E

G

E

L

L

G

N

H

Q

G

A

L

L

D

E

R

T

A

F

E

E

Q

E

D

D

P

P

E

A

V

V

R

G

A

A

V

I

V

V

V

L

T

T

A

G

T

G

G

E

R

K

A

A

F

F

C

A

A
|
A

G

G

M
x
A

D
|
D

L
x
I

K

K

A

E

F
x
M

A

-

R

-

G

-

E

Q

D

N

V

R

S

T

V

F

E

Q

G

D

H

C

A

Y

E
x
S

W

G

G

K

F

F

A
x
L

G

S

M

H

V

W

R

D

H

H

-

I

-

T

P

R

I

I

S

K

K

K

P

P

V

V

I

I

A

A

V

V

N

N

G

G

F
x
Y

A

A

M

L

G
|
G

G

G

T

C

E
|
E

I

L

V

A

L

M

A

M

A

C

D

D

L

I

A

I

V

Y

A

A

A

G

E

E

S

K

A

A

S

Q

F

F

G

G

L

Q

P
|
P

E
|
E

V

I

K

L

R
x
L

G

G

L
x
T

V

I

A
x
P

A
x
G

A

A

G

G

V

T

L

Q

R

R

L

L

P

T

R

R

Q

A

I

V

P

G

I

K

R

S

L

L

A

A

M

M

E

E

L

M

A

V

L

L

T

T

G

G

R

D

A

R

V

I

T

S

A

A

A

Q

E

D

A

A

A

K

E

Q

I

A

G

G

L

L

V

V

N

S

R

K

V

I

V

F

A

P

D

V

D

E

A

T

L

L

M

V

D

E

A

E

A

A

L

I

E

Q

L

C

A

A

E

E

Q

K

I

I

A

A

A

N

N

N

A

S

P

K

L

I

A

I

V

V

Q

A

A

M

T

A

K

K

R

E

M

S

I

V

L

-

E

-

Q

N

A

A

R

A

F

F

G

E

S

M

D

T

L

L

D

-

D

T

E

E

I

G

W

N

Q
x
K

H

L

H

E

D

K

R

K

V

L

L
x
F

L

Y

P

S

V

T

F
|
F

Q

A

T

T

K

D

D

D

A

R

M

R

E

E

G

G

A

M

V

S

A

A

F
|
F

A

V

E

E

K

K

R

R

P

K

P

A

V

N

W

F

R

K

active site: A68 (≠ M68), M73 (≠ F73), S83 (≠ E86), L87 (≠ A90), G111 (= G112), E114 (= E115), P133 (= P134), E134 (= E135), T139 (≠ L140), P141 (≠ A142), G142 (≠ A143), K227 (≠ Q231), F237 (= F241)
binding acetoacetyl-coenzyme a: K26 (≠ E26), A27 (= A27), L28 (≠ M28), A30 (≠ S30), A66 (= A66), A68 (≠ M68), D69 (= D69), I70 (≠ L70), Y107 (≠ F108), G110 (= G111), G111 (= G112), E114 (= E115), P133 (= P134), E134 (= E135), L137 (≠ R138), G142 (≠ A143), F233 (≠ L237), F249 (= F253)

5jbxB Crystal structure of liuc in complex with coenzyme a and malonic acid (see paper)
40% identity, 95% coverage: 12:263/264 of query aligns to 10:260/261 of 5jbxB

query
sites
5jbxB

E

D

V

A

R

R

G

G

H

P

I

I

A

E

V

I

I

W

T

T

L

I

N

D

R

G

P

E

E
x
S

A
x
R

M
x
R

N

N

S
x
A

V

I

N

S

R

R

S

A

L

M

A

L

T

K

G

E

L

L

G

G

H

E

G

L

L

V

D

T

R

R

A

V

E

S

Q

S

D

S

P

R

E

D

V

V

R

R

A

A

V

V

V

I

T

T

A

G

T

A

G

G

-

D

R

K

A

A

F

F

C

C

A
|
A

G

G

M
x
A

D
|
D

L
|
L

K
|
K

A

E

F
x
R

A

A

R

-

G

-

E

-

D

-

V

T

S

M

V

A

E

E

G

D

H

E

A

V

E

R

W

A

G

F

F
x
L

A

D

G

G

M

L

V
x
R

R

R

-

T

-

F

H

R

P

A

I

I

S

E

K

K

P

S

-

D

-

C

-

V

V

F

I

I

A

A

V

I

N

N

G

G

F

A

A

A

M
x
L

G
|
G

G

G

T

T

E
|
E

I

L

V

A

L

L

A

A

A

C

D

D

L

L

A

R

V

V

A

A

E

P

S

A

A

A

S

E

F

L

G

G

L

L

P
x
T

E
|
E

V

V

K

K

R
x
L

G

G

L
x
I

V

I

A
x
P

A
x
G

A

G

G

G

V

T

L

Q

R

R

L

L

P

A

R

R

Q

L

I

V

P

G

I

P

R

G

L

R

A

A

M

K

E

D

L

L

A

I

L

L

T

T

G

A

R

R

A
x
R

V

I

T

N

A

A

E

E

A

A

A

F

E

S

I

V

G

G

L

L

V

A

N

N

R

R

V

L

V

A

A

P

D

E

D

G

A

H

L

L

M

L

D

A

A

V

A

A

L

Y

E

G

L

L

A

A

E

E

Q

S

I

V

A

V

A

E

N

N

A

A

P

P

L

I

A

A

V

V

Q

A

A

T

T

A

K

K

R

H

M

A

I

I

L

D

E

E

Q

G

A

T

R

-

F

-

G

G

S

L

D

E

L

L

D

D

-

A

-

L

-
x
A

-

L

E

E

I

L

W

R

Q

K

H

Y

H

E

D

E

R

-

V

-

L

-

P

-

V

I

F
x
L

Q

K

T

T

K

E

D

D

A

R

M

L

E

E

G

G

A

L

V

R

A

A

F

F

A

A

E

E

K

K

R

R

P

A

P

P

V

V

W

Y

R

K

G

G

active site: A67 (≠ M68), R72 (≠ F73), L84 (≠ F89), R88 (≠ V93), G112 (= G112), E115 (= E115), T134 (≠ P134), E135 (= E135), I140 (≠ L140), P142 (≠ A142), G143 (≠ A143), A228 (vs. gap), L238 (≠ F241)
binding coenzyme a: S24 (≠ E26), R25 (≠ A27), R26 (≠ M28), A28 (≠ S30), A65 (= A66), D68 (= D69), L69 (= L70), K70 (= K71), L110 (≠ M110), G111 (= G111), T134 (≠ P134), E135 (= E135), L138 (≠ R138), R168 (≠ A168)

P14604 Enoyl-CoA hydratase, mitochondrial; mECH; mECH1; Enoyl-CoA hydratase 1; ECHS1; Short-chain enoyl-CoA hydratase; SCEH; EC 4.2.1.17; EC 5.3.3.8 from Rattus norvegicus (Rat) (see 3 papers)
36% identity, 93% coverage: 17:262/264 of query aligns to 47:288/290 of P14604

query
sites
P14604

I

V

A

G

V

L

I

I

T

Q

L

L

N

N

R

R

P

P

E

K

A

A

M

L

N

N

S

A

V

L

N

C

R

N

S

G

L

L

A

I

T

E

G

E

L

L

G

N

H

Q

G

A

L

L

D

E

R

T

A

F

E

E

Q

E

D

D

P

P

E

A

V

V

R

G

A

A

V

I

V

V

V

L

T

T

A

G

T

G

G

E

R

K

A

A

F

F

C

A

A

A

G

G

M

A

D

D

L

I

K

K

A

E

F

M

A

-

R

-

G

-

E

Q

D

N

V

R

S

T

V

F

E

Q

G

D

H

C

A

Y

E

S

W

G

G

K

F

F

A

L

G

S

M

H

V

W

R

D

H

H

-

I

-

T

P

R

I

I

S

K

K

K

P

P

V

V

I

I

A

A

V

V

N

N

G

G

F

Y

A

A

M

L

G

G

T

C

E
|
E

I

L

V

A

L

M

A

M

A

C

D

D

L

I

A

I

V

Y

A

A

A

G

E

E

S

K

A

A

S

Q

F

F

G

G

L

Q

P

P

E
|
E

V

I

K

L

R

L

G

G

L

T

V

I

A

P

A

G

A

A

G

G

V

T

L

Q

R

R

L

L

P

T

R

R

Q

A

I

V

P

G

I

K

R

S

L

L

A

A

M

M

E

E

L

M

A

V

L

L

T

T

G

G

R

D

A

R

V

I

T

S

A

A

A

Q

E

D

A

A

A

K

E

Q

I

A

G

G

L

L

V

V

N

S

R

K

V

I

V

F

A

P

D

V

D

E

A

T

L

L

M

V

D

E

A

E

A

A

L

I

E

Q

L

C

A

A

E

E

Q

K

I

I

A

A

A

N

N

N

A

S

P

K

L

I

A

I

V

V

Q

A

A

M

T

A

K

K

R

E

M

S

I

V

L

-

E

-

Q

N

A

A

R

A

F

F

G

E

S

M

D

T

L

L

D

-

D

T

E

E

I

G

W

N

Q

K

H

L

H

E

D

K

R

K

V

L

L

F

L

Y

P

S

V

T

F

F

Q

A

T

T

K

D

D

D

A

R

M

R

E

E

G

G

A

M

V

S

A

A

F

F

A

V

E

E

K

K

R

R

P

K

P

A

V

N

W

F

R

K

E144 (= E115) mutation to D: Reduces activity 50-fold.; mutation to Q: Reduces activity 3300-fold.
E164 (= E135) mutation to D: Reduces activity 1250-fold.; mutation to Q: Reduces activity 330000-fold.

Sites not aligning to the query:

1:29 modified: transit peptide, Mitochondrion

6slbAAA Enoyl-CoA hydratase/carnithine racemase (see paper)
38% identity, 96% coverage: 10:263/264 of query aligns to 6:256/257 of 6slbAAA

query
sites
6slbAAA

L

L

Y

K

E

E

V

R

R

Q

G

D

H

G

I

V

A

L

V

V

I

L

T

T

L

L

N

N

R

R

P

P

E

E

A

K

M

L

N

N

S

A

V

I

N

T

R

G

S

E

L

L

A

L

T

D

G

A

L

L

G

Y

H

A

G

A

L

L

D

K

R

E

A

G

E

E

Q

E

D

D

P

R

E

E

V

V

R

R

A

A

V

L

T

T

A

G

T

A

G

G

R
|
R

A

A

F

F

C

S

A
|
A

G

G

M
x
Q

D
|
D

L
|
L

K

T

A

E

F
|
F

A

G

-

D

R

R

G

K

E

P

D

D

V
x
Y

S

-

V

-

E

E

G

A

H

H

A
x
L

E

R

-

R

W

Y

G
x
N

F

R

A

V

G

V

M

E

V

A

R

L

H

S

P

G

I

L

S

E

K

K

P

P

V

L

I

V

A

V

A

A

V

V

N

N

G

G

F

V

A

A

M

A

G

G

G
x
A

G

G

T

M

E
x
S

I

L

V

A

L

L

A

W

A

G

D

D

L

L

A

R

V

L

A

A

E

V

S

G

A

A

S

S

F

F

G

T

L

T

P
x
A

E
x
F

V

V

K

R

R

I

G

G

L
|
L

V

V

A
x
P

A
x
D

A

S

G

G

G

L

V

S

L

F

R

L

L

L

P

P

R

R

Q

L

I

V

P

G

I

L

R

A

L

K

A

A

M

Q

E

E

L

L

A

L

L

L

T

L

G

S

R

P

A

R

V

L

T

S

A

A

A

E

E

E

A

A

A

L

E

A

I

L

G

G

L

L

V

V

N

H

R

R

V

V

A

P

D

A

D

E

A

K

L

L

M

M

D

E

A

E

A

A

L

L

E

S

L

L

A

A

E

K

Q

E

I

L

A

A

A

Q

N

G

A

P

P

T

L

R

A

A

V

Y

Q

A

A

L

T

T

K

K

R

K

M

L

I

L

L

L

E

E

Q

T

A

Y

R

R

F

L

G

S

S

L

D

-

L

-

D

-

D

T

E

E

I

A

W

L

Q
x
A

H

L

H

E

D

A

R

V

V

L

L

Q

L

G

P

Q

V

A

F
x
G

Q

Q

T

T

K

Q

D

D

A

H

M

E

E

E

G

G

A

V

V

R

A

A

F

F

A

R

E

E

K

K

R

R

P

P

V

R

W

F

R

Q

G

G

active site: Q64 (≠ M68), F69 (= F73), L80 (≠ A85), N84 (≠ G88), A108 (≠ G112), S111 (≠ E115), A130 (≠ P134), F131 (≠ E135), L136 (= L140), P138 (≠ A142), D139 (≠ A143), A224 (≠ Q231), G234 (≠ F241)
binding (~{E})-6-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-oxidanylidene-hex-3-enoic acid: R58 (= R62), A62 (= A66), Q64 (≠ M68), D65 (= D69), L66 (= L70), Y76 (≠ V79), A108 (≠ G112), F131 (≠ E135), D139 (≠ A143)

6slaAAA Enoyl-CoA hydratase/carnithine racemase (see paper)
38% identity, 96% coverage: 10:263/264 of query aligns to 3:244/245 of 6slaAAA

query
sites
6slaAAA

L

L

Y

K

E

E

V

R

R

Q

G

D

H

G

I

V

A

L

V

V

I

L

T

T

L

L

N

N

R

R

P

P

E

E

A

K

M
x
L

N

N

S

A

V

I

N

T

R

G

S

E

L

L

A

L

T

D

G

A

L

L

G

Y

H

A

G

A

L

L

D

K

R

E

A

G

E

E

Q

E

D

D

P

R

E

E

V

V

R

R

A

A

V

L

T

T

A

G

T

A

G

G

R

R

A

A

F

F

C

S

A
|
A

G

G

M
x
Q

D
|
D

L
|
L

-

T

K

E

A

A

F

H

A
x
L

R

R

G

R

E
x
Y

D
x
N

V

R

S

V

V

V

E

E

G

A

H

-

A

-

E

-

W

-

G

-

F

L

A

S

G

G

M

L

V

-

R

-

H

-

P

-

I

-

S

E

K

K

P

P

V

L

I

V

A

V

A

A

V

V

N

N

G

G

F

V

A

A

M
x
A

G
|
G

G
x
A

G

G

T

M

E
x
S

I

L

V

A

L

L

A

W

A

G

D

D

L

L

A

R

V

L

A

A

E

V

S

G

A

A

S

S

F

F

G

T

L

T

P
x
A

E
x
F

V

V

K

R

R
x
I

G

G

L
|
L

V

V

A
x
P

A
x
N

A

S

G

G

G

L

V

S

L

F

R

L

L

L

P

P

R

R

Q

L

I

V

P

G

I

L

R

A

L

K

A

A

M

Q

E

E

L

L

A

L

L

L

T

L

G

S

R

P

A

R

V

L

T

S

A

A

A

E

E

E

A

A

A

L

E

A

I

L

G

G

L

L

V

V

N

H

R

R

V

V

A

P

D

A

D

E

A

K

L

L

M

M

D

E

A

E

A

A

L

L

E

S

L

L

A

A

E

K

Q

E

I

L

A

A

A

Q

N

G

A

P

P

T

L

R

A

A

V

Y

Q

A

A

L

T

T

K

K

R

K

M

L

I

L

L

L

E

E

Q

T

A

Y

R

R

F

L

G

S

S

L

D

-

L

-

D

-

D

T

E

E

I

A

W

L

Q
x
A

H

L

H

E

D

A

R

V

V

L

L

Q

L

G

P

Q

V

A

F
x
G

Q

Q

T

T

K

Q

D

D

A

H

M

E

E

E

G

G

A

V

V

R

A

A

F
|
F

A

R

E

E

K
|
K

R

R

P

P

V

R

W

F

R

Q

G

G

active site: Q61 (≠ M68), L68 (≠ A74), N72 (≠ D78), A96 (≠ G112), S99 (≠ E115), A118 (≠ P134), F119 (≠ E135), L124 (= L140), P126 (≠ A142), N127 (≠ A143), A212 (≠ Q231), G222 (≠ F241)
binding ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-(2,5-dihydrooxepin-7-yl)ethanethioate: L21 (≠ M28), A59 (= A66), Q61 (≠ M68), D62 (= D69), L63 (= L70), L68 (≠ A74), Y71 (≠ E77), A94 (≠ M110), G95 (= G111),