SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Ga0059261_2166 Ga0059261_2166 Predicted acyl-CoA transferases/carnitine dehydratase to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

5yx6A Crystal structure of rv3272 from m. Tuberculosis orthorhombic form (see paper)
30% identity, 99% coverage: 2:366/368 of query aligns to 4:351/360 of 5yx6A

query
sites
5yx6A

K

K

P

P

L

L

A

D

G

G

I

F

K

R

V

V

V

L

E

D

L

F

A

T

R

Q

I

N

L
x
V

A

A

G

G

P

P

W

L

C

A

G

G

Q

Q

L

V

L

L

A

V

D

D

L

L

G

G

A

A

E

E

V

V

V

I

K

K

I

V

E

E

R

A

P

P

G

G

A

-

G

G

D

E

D

A

T

A

R

R

H

Q

W

-

G

-

P

-

F

I

L

T

H

S

D

V

A

L

E

P

G

G

N

R

D

P

R

P

D

L

A

A

A

T

Y

Y

Y

F

H

L

A

P

A

N

N

N

R

R

G

G

K

K

T

K

A

S

R

V

F

T

I

V

D

D

I

L

A

T

T

T

P

E

E

Q

G

A

Q

K

A

Q

E

Q

V

M

R

L

A

R

L

L

V

A

A

D

R

T

A

A

D

D

V

V

I

L

E

E

N
x
A

Y
x
F

K
x
R

V

P

G

G

G

T

L

M

V

E

K

K

Y

L

G

G

L

L

D

G

H

P

Q

D

S

D

L

L

L

R

A

S

V

R

N

N

P

P

R

N

L

L

I

I

T

Y

C

A

S

R

I

L

T

T

G

A

F

Y

G

G

Q

G

T

N

G

G

P

P

Y

H

A

G

H

S

R

R

A
x
P

G

G

Y

I

D
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D

F

L

I

V

Q

A

G

A

M

E

G

A

G

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I

M

M

T

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L

G

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M

G

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T

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P

D

E

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G

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K

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P

Q

Q

K

I

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I

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I

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A

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Y

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A

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D
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D

I

N

F

A

T

S

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G

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H

Y

V

S

L

A

A

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Q

A

A

I

V

L

L

A

A

L

L

R

L

Q

H

R

R

D

E

E

R

N

N

G

G

E

V

G

A

A

D

H

V

I

V

D

Q

M

V

A

A

L

M

L

Y

D

D

T

V

Q

A

V

V

A

G

V

L

L

Q

A

A

N

N

Q

Q

A

L

L

M

N

M

W

H

M

L

A

N

S

R

G
x
T

K

Q

V

-

P

-

H

-

R

-

M

-

G

-

N

-

G

-

H

-

A

-

N

-

L

-

A

-

P

P

Y

S

Q

D

A

A

F

F

T

R

A

T

S

A

D

D

G

G

D

Y

L

I

I

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I

I

A

S

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A

G

Y

N

V

D

P

G

K

Q
x
H

F

W

A

Q

K
|
K

L

L

C

C

T

Y

V

L

L

I

G

G

L

R

-

P

D

D

L

L

H

V

N

E

N

D

P

Q

D

R

F

F

A

A

T

E

N

Q

P

R

A

S

R

R

V

S

R

I

N

N

R

Y

A

A

R

E

L

L

I

T

A

A

P

E

I

L

Q

E

A

L

A

A

V

L

A

A

G

S

W

K

T

T

K

A

Q

T

A

E

L

W

S

V

D

Q

A

L

L

L

E

Q

A

A

Q

N

G

G

V

L

P

M

A

A

G

C

P

L

I

A

N

H

D

T

I

W

G

K

E

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V

V

F

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A

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D

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P

P

Q

L

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F

V

A

A

E

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N

G

D

M

L

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I

L

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E

A

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G

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L

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V

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P

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A

T

active site: V18 (≠ L16), D142 (= D145), D171 (= D174), T221 (≠ G224)
binding glycerol: A98 (≠ N101), F99 (≠ Y102), R100 (≠ K103), P139 (≠ A142), H243 (≠ Q259), K246 (= K262)

1pt8A Crystal structure of the yfdw gene product of e. Coli, in complex with oxalate and acetyl-coa (see paper)
28% identity, 91% coverage: 3:336/368 of query aligns to 4:354/416 of 1pt8A

query
sites
1pt8A

P

P

L

L

A

Q

G

G

I

I

K

K

V

V

V

L

E

D

L

F

A

T

R

G

I
x
V

L
x
Q

A
x
S

G

G

P

P

W

S

C

C

G

T

Q

Q

L

M

L

L

A

A

D

W

L

F

G

G

A

A

E

D

V

V

V

I

K

K

I

I

E
|
E

R
|
R

P

P

G

G

A

V

G

G

D

D

D

V

T

T

R

R

H

H

W
x
Q

G

-

P

-

F

-

L
|
L

H

R

D

D

A

I

E

P

G

-

N

-

D

D

R

I

D

D

A

A

A

L

Y

Y

Y

F

H

T

A

M

A

L

N

N

R

S

G

N

K

K

T

R

A

S

R

I

F

E

I
x
L

D
x
N

I
x
T

A
x
K

T

T

P

A

E

E

G

G

Q

K

A

E

E

V

V

M

R

E

A

K

L

L

V

I

A

R

R

E

A

A

D

D

V

I

V

L

I

V

E

E

N
|
N

Y
x
F

K
x
H

V

P

G

G

G
x
A

L

I

V

D

K

H

Y

M

G

G

L

F

D

T

H

W

Q

E

S

H

L

I

L

Q

A

E

V

I

N

N

P

P

R

R

L

L

I

I

T

F

C

G

S

S

I
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I

T

K

G

G

F

F

G

D

Q

E

T

C

G

S

P

P

Y

Y

A

V

H

N

R

V

A
x
K

G
x
A

Y
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Y

D
x
E

F

N

I

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I

A

Q

Q

G

A

M

A

G

G

I

A

M

A

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S

L

T

T

T

G

G

E

F

P

W

D

D

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G

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P

Q

L

K

V

A

S

G

A

I

A

A

A

Y

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A

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D
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D

I

S

F

N

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T

G

G

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M

Y

H

S

L

A

L

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I

A

G

I

L

L

L

A

A

L

L

R

L

Q

H

R

R

D

E

E

K

N

T

G

G

E

R

G

G

A

Q

H

R

I

V

D

T

M

M

A

S

L
x
M

L

Q

D

D

-

A

-

V

-

L

-

N

-

L

T

C

Q

R

V

V

A

K

V

L

L

R

A

D

N

Q

Q

Q

A

R

L

L

N

D

W

K

M

L

A

G

S

Y

G

L

K

E

V
x
E

P

Y

H

P

R

Q

M

Y

G

P

N

N

G

G

H

T

A

F

N

G

-

D

-

A

-

V

-

P

-

R

-

G

-

N

-

A

-

G

-
x
G

-
x
Q

-
x
P

-

G

-

W

L

I

A

L

P

K

Y

C

Q

K

A

G

F

W

T

E

A

T

S

D

D

P

G

N

D

A

L

Y

I

I

I

Y

A

F

V

T

G

I

N
x
Q

D

E

G

Q

Q

N

F

W

A

E

K

N

L

T

C

C

T

K

V

A

L

I

G

G

L

-

D

-

L

-

H

-

N

-

N

K

P

P

D

E

F

W

A

I

T

T

N

D

P

P

A

A

R

Y

V

S

R

T

N

A

R

H

A

A

R

R

-

Q

-

P

-

H

-

I

-

F

-

D

L

I

I

F

A

A

P

E

I

I

Q

E

A

K

A

Y

V

T

A

V

G

T

W

I

T

D

K

K

Q

H

A

E

L

A

S

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D

A

A

Y

L

L

E

T

A

Q

Q

F

G

D

V

I

P

P

A

C

G

A

P

P

I

V

N

L

D

S

I

M

G

K

E

E

V

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F

S

A

L

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D

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P

Q

S

V

L

V

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A

Q

R

S

G

G

active site: Q17 (≠ L16), E140 (≠ D145), D169 (= D174), G248 (vs. gap), G249 (vs. gap)
binding acetyl coenzyme *a: V16 (≠ I15), Q17 (≠ L16), S18 (≠ A17), E37 (= E36), R38 (= R37), L72 (≠ I77), N73 (≠ D78), T74 (≠ I79), K75 (≠ A80), N96 (= N101), F97 (≠ Y102), H98 (≠ K103), A101 (≠ G106), I124 (= I129), K137 (≠ A142), A138 (≠ G143), Y139 (= Y144), D169 (= D174), M200 (≠ L205), G248 (vs. gap), G249 (vs. gap), Q273 (≠ N256)
binding oxalate ion: Q48 (≠ W47), L49 (= L52), E226 (≠ V226), G249 (vs. gap), Q250 (vs. gap), P251 (vs. gap)

P69902 Formyl-CoA:oxalate CoA-transferase; FCOCT; Formyl-coenzyme A transferase; Formyl-CoA transferase; EC 2.8.3.16 from Escherichia coli (strain K12) (see paper)
28% identity, 91% coverage: 3:336/368 of query aligns to 4:354/416 of P69902

query
sites
P69902

P

P

L

L

A

Q

G

G

I

I

K

K

V

V

V

L

E

D

L

F

A

T

R

G

I

V

L

Q

A

S

G

G

P

P

W

S

C

C

G

T

Q

Q

L

M

L

L

A

A

D

W

L

F

G

G

A

A

E

D

V

V

V

I

K

K

I

I

E

E

R
|
R

P

P

G

G

A

V

G

G

D

D

D

V

T

T

R

R

H

H

W

Q

G

-

P

-

F

-

L

L

H

R

D

D

A

I

E

P

G

-

N

-

D

D

R

I

D

D

A

A

A

L

Y

Y

Y

F

H

T

A

M

A

L

N

N

R

S

G

N

K

K

T

R

A

S

R

I

F

E

I

L

D

N

I

T

A

K

T

T

P

A

E

E

G

G

Q

K

A

E

E

V

V

M

R

E

A

K

L

L

V

I

A

R

R

E

A

A

D

D

V

I

V

L

I

V

E

E

N

N

Y

F

K

H

V

P

G

G

G

A

L

I

V

D

K

H

Y

M

G

G

L

F

D

T

H

W

Q

E

S

H

L

I

L

Q

A

E

V

I

N

N

P

P

R

R

L

L

I

I

T

F

C

G

S

S

I

I

T

K

G

G

F

F

G

D

Q

E

T

C

G

S

P

P

Y

Y

A

V

H

N

R

V

A

K

G

A

Y

Y

D

E

F

N

I

V

I

A

Q

Q

G

A

M

A

G

G

I

A

M

A

S

S

L

T

T

T

G

G

E

F

P

W

D

D

G

G

P

P

Q

L

K

V

A

S

G

A

I

A

A

A

Y

L

A

G

D

D

I

S

F

N

T

T

G

G

V

M

Y

H

S

L

A

L

V

I

A

G

I

L

L

L

A

A

L

L

R

L

Q

H

R

R

D

E

E

K

N

T

G

G

E

R

G

G

A

Q

H

R

I

V

D

T

M

M

A

S

L

M

L

Q

D

D

-

A

-

V

-

L

-

N

-

L

T

C

Q

R

V

V

A

K

V

L

L

R

A

D

N

Q

Q

Q

A

R

L

L

N

D

W

K

M

L

A

G

S

Y

G

L

K

E

V

E

P

Y

H

P

R

Q

M

Y

G

P

N

N

G

G

H

T

A

F

N

G

-

D

-

A

-

V

-

P

-

R

-

G

-

N

-

A

-

G

-

Q

-

P

-

G

-

W

L

I

A

L

P

K

Y

C

Q

K

A

G

F

W

T

E

A

T

S

D

D

P

G

N

D

A

L

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I

I

I

Y

A

F

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E

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Q

Q

N

F

W

A

E

K

N

L

T

C

C

T

K

V

A

L

I

G

G

L

-

D

-

L

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H

-

N

-

N

K

P

P

D

E

F

W

A

I

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T

N

D

P

P

A

A

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Y

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N

A

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A

A

R

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-

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L

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A

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K

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T

A

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D

K

K

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Q

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P

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G

A

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D

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A

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G

G

R38 (= R37) binding

1pt5A Crystal structure of gene yfdw of e. Coli (see paper)
28% identity, 91% coverage: 3:336/368 of query aligns to 3:353/415 of 1pt5A

query
sites
1pt5A

P

P

L

L

A

Q

G

G

I

I

K

K

V

V

V

L

E

D

L
x
F

A

T

R

G

I
x
V

L
x
Q

A
x
S

G

G

P

P

W

S

C

C

G

T

Q

Q

L

M

L

L

A

A

D

W

L

F

G

G

A

A

E

D

V

V

V

I

K

K

I

I

E
|
E

R
|
R

P

P

G

G

A

V

G

G

D

D

D

V

T

T

R

R

H

H

W

Q

G

-

P

-

F

-

L

L

H

R

D

D

A

I

E

P

G

-

N

-

D

D

R

I

D

D

A

A

A

L

Y

Y

Y

F

H

T

A

M

A

L

N

N

R

S

G

N

K

K

T

R

A

S

R

I

F

E

I
x
L

D
x
N

I
x
T

A
x
K

T

T

P

A

E

E

G

G

Q

K

A

E

E

V

V

M

R

E

A

K

L

L

V

I

A

R

R

E

A

A

D

D

V

I

V

L

I

V

E

E

N
|
N

Y
x
F

K
x
H

V

P

G

G

G
x
A

L

I

V

D

K

H

Y

M

G

G

L

F

D

T

H

W

Q

E

S

H

L

I

L

Q

A

E

V

I

N

N

P

P

R

R

L

L

I

I

T

F

C

G

S

S

I
|
I

T
x
K

G

G

F

F

G

D

Q

E

T

C

G

S

P

P

Y

Y

A

V

H

N

R

V

A
x
K

G
x
A

Y
|
Y

D
x
E

F

N

I

V

I

A

Q

Q

G

A

M

A

G

G

I

A

M

A

S

S

L

T

T

T

G

G

E

F

P

W

D

D

G

G

P

P

Q

L

K

V

A

S

G

A

I

A

A

A

Y

L

A

G

D
|
D

I

S

F

N

T

T

G

G

V

M

Y

H

S

L

A

L

V

I

A

G

I

L

L

L

A

A

L

L

R

L

Q

H

R

R

D

E

E

K

N

T

G

G

E

R

G

G

A

Q

H

R

I

V

D

T

M

M

A

S

L
x
M

L

Q

D

D

-

A

-

V

-

L

-

N

-

L

T

C

Q

R

V

V

A

K

V

L

L

R

A

D

N

Q

Q

Q

A

R

L

L

N

D

W

K

M

L

A

G

S

Y

G

L

K

E

V

E

P

Y

H

P

R

Q

M

Y

G

P

N

N

G

G

H

T

A

F

N

G

-

D

-

A

-

V

-

P

-

R

-

G

-

N

-

A

-

G

-
x
G

-

Q

-

P

-

G

-

W

L

I

A

L

P

K

Y

C

Q

K

A

G

F

W

T

E

A

T

S

D

D

P

G

N

D

A

L

Y

I

I

I

Y

A

F

V

T

G

I

N

Q

D

E

G

Q

Q

N

F

W

A

E

K

N

L

T

C

C

T

K

V

A

L

I

G

G

L

-

D

-

L

-

H

-

N

-

N

K

P

P

D

E

F

W

A

I

T

T

N

D

P

P

A

A

R

Y

V

S

R

T

N

A

R

H

A

A

R

R

-

Q

-

P

-

H

-

I

-

F

-

D

L

I

I

F

A

A

P

E

I

I

Q

E

A

K

A

Y

V

T

A

V

G

T

W

I

T

D

K

K

Q

H

A

E

L

A

S

V

D

A

A

Y

L

L

E

T

A

Q

Q

F

G

D

V

I

P

P

A

C

G

A

P

P

I

V

N

L

D

S

I

M

G

K

E

E

V

I

F

S

A

L

D

D

P

P

Q

S

V

L

V

R

A

Q

R

S

G

G

active site: Q16 (≠ L16), E139 (≠ D145), D168 (= D174), G247 (vs. gap), G248 (vs. gap)
binding acetyl coenzyme *a: F12 (≠ L12), V15 (≠ I15), S17 (≠ A17), E36 (= E36), R37 (= R37), L71 (≠ I77), N72 (≠ D78), T73 (≠ I79), K74 (≠ A80), N95 (= N101), F96 (≠ Y102), H97 (≠ K103), A100 (≠ G106), I123 (= I129), K124 (≠ T130), K136 (≠ A142), A137 (≠ G143), Y138 (= Y144), E139 (≠ D145), D168 (= D174), M199 (≠ L205)

1q6yA Hypothetical protein yfdw from e. Coli bound to coenzyme a (see paper)
28% identity, 91% coverage: 3:336/368 of query aligns to 4:354/417 of 1q6yA

query
sites
1q6yA

P

P

L

L

A

Q

G

G

I

I

K

K

V

V

V

L

E

D

L
x
F

A

T

R

G

I
x
V

L
x
Q

A
x
S

G

G

P

P

W

S

C

C

G

T

Q

Q

L

M

L

L

A

A

D

W

L

F

G

G

A

A

E

D

V

V

V

I

K

K

I

I

E
|
E

R
|
R

P

P

G

G

A

V

G

G

D

D

D

V

T

T

R

R

H

H

W

Q

G

-

P

-

F

-

L

L

H

R

D

D

A

I

E

P

G

-

N

-

D

D

R

I

D

D

A

A

A

L

Y

Y

Y

F

H

T

A

M

A

L

N

N

R

S

G

N

K

K

T

R

A

S

R

I

F

E

I
x
L

D
x
N

I
x
T

A
x
K

T

T

P

A

E

E

G

G

Q

K

A

E

E

V

V

M

R

E

A

K

L

L

V

I

A

R

R

E

A

A

D

D

V

I

V

L

I

V

E

E

N
|
N

Y
x
F

K
x
H

V

P

G

G

G
x
A

L

I

V

D

K

H

Y
x
M

G

G

L

F

D

T

H

W

Q

E

S

H

L

I

L

Q

A

E

V

I

N

N

P

P

R

R

L

L

I

I

T

F

C

G

S

S

I
|
I

T
x
K

G
|
G

F

F

G

D

Q

E

T

C

G

S

P

P

Y

Y

A

V

H

N

R

V

A
x
K

G
x
A

Y
|
Y

D
x
E

F

N

I

V

I

A

Q

Q

G

A

M

A

G

G

I

A

M

A

S

S

L

T

T

T

G

G

E

F

P

W

D

D

G

G

P

P

Q

L

K

V

A

S

G

A

I

A

A

A

Y

L

A

G

D
|
D

I

S

F

N

T

T

G

G

V

M

Y

H

S

L

A

L

V

I

A

G

I

L

L

L

A

A

L

L

R

L

Q

H

R

R

D

E

E

K

N

T

G

G

E

R

G

G

A

Q

H

R

I

V

D

T

M

M

A

S

L
x
M

L

Q

D

D

-

A

-

V

-

L

-

N

-

L

T

C

Q

R

V

V

A

K

V

L

L

R

A

D

N

Q

Q

Q

A

R

L

L

N

D

W

K

M

L

A

G

S

Y

G

L

K

E

V

E

P

Y

H

P

R

Q

M

Y

G

P

N

N

G

G

H

T

A

F

N

G

-

D

-

A

-

V

-

P

-

R

-

G

-

N

-

A

-

G

-
x
G

-

Q

-

P

-

G

-

W

L

I

A

L

P

K

Y

C

Q

K

A

G

F

W

T

E

A

T

S

D

D

P

G

N

D

A

L

Y

I

I

I

Y

A

F

V

T

G

I

N

Q

D

E

G

Q

Q

N

F

W

A

E

K

N

L

T

C

C

T

K

V

A

L

I

G

G

L

-

D

-

L

-

H

-

N

-

N

K

P

P

D

E

F

W

A

I

T

T

N

D

P

P

A

A

R

Y

V

S

R

T

N

A

R

H

A

A

R

R

-

Q

-

P

-

H

-

I

-

F

-

D

L

I

I

F

A

A

P

E

I

I

Q

E

A

K

A

Y

V

T

A

V

G

T

W

I

T

D

K

K

Q

H

A

E

L

A

S

V

D

A

A

Y

L

L

E

T

A

Q

Q

F

G

D

V

I

P

P

A

C

G

A

P

P

I

V

N

L

D

S

I

M

G

K

E

E

V

I

F

S

A

L

D

D

P

P

Q

S

V

L

V

R

A

Q

R

S

G

G

active site: Q17 (≠ L16), E140 (≠ D145), D169 (= D174), G248 (vs. gap), G249 (vs. gap)
binding coenzyme a: F13 (≠ L12), V16 (≠ I15), Q17 (≠ L16), S18 (≠ A17), E37 (= E36), R38 (= R37), L72 (≠ I77), N73 (≠ D78), T74 (≠ I79), K75 (≠ A80), N96 (= N101), F97 (≠ Y102), H98 (≠ K103), A101 (≠ G106), M105 (≠ Y110), I124 (= I129), K125 (≠ T130), G126 (= G131), K137 (≠ A142), A138 (≠ G143), Y139 (= Y144), D169 (= D174), M200 (≠ L205)

O06644 Formyl-CoA:oxalate CoA-transferase; FCOCT; Formyl-coenzyme A transferase; EC 2.8.3.16 from Oxalobacter formigenes (see 4 papers)
36% identity, 56% coverage: 2:207/368 of query aligns to 3:202/428 of O06644

query
sites
O06644

K

K

P

P

L

L

A

D

G

G

I

I

K

N

V

V

V

L

E

D

L

F

A

T

R

H

I

V

L
x
Q

A

A

G

G

P

P

W

A

C

C

G

T

Q

Q

L

M

A

G

D

F

L

L

G

G

A

A

E

N

V

V

V

I

K

K

I

I

E

E

R
|
R

P

R

G

G

A

S

G

G

D

D

D

M

T

T

R

R

H

G

W
|
W

G

-

P

-

F

-

L

L

H

Q

D

D

A

K

E

P

G

-

N

-

D

N

R

V

D

D

A

S

A

L

Y

Y

Y

F

H

T

A

M

A

F

N

N

R

C

G

N

K

K

T

R

A

S

R

I

F

E

I

L

D

D

I

M

A

K

T

T

P

P

E

E

G

G

Q

K

A

E

E

L

V

L

R

E

A

Q

L

M

V

I

A

K

R

K

A

A

D

D

V

V

V

M

I

V

E

E

N

N

Y

F

K

G

V

P

G

G

G

A

L

L

V

D

K
x
R

Y

M

G

G

L

F

D

T

H

W

Q

E

S

Y

L

I

L

Q

A

E

V

L

N

N

P

P

R

R

L

V

I

I

T

L

C

A

S

S

I

V

T

K

G

G

F

Y

G

A

Q

E

T

G

G

H

P

A

Y

N

A

E

H

H

R

L

A

K

G

V

Y

Y

D

E

F

N

I

V

I

A

Q

Q

G

C

M

S

G

G

I

A

M

A

S

A

L

T

T

T

G

G

E

F

P

W

D

D

G

G

P

P

Q

T

K

V

A

S

G

G

I

A

A

A

Y

L

A

G

D
|
D

I

S

F

N

T

S

G

G

V

M

Y

H

S

L

A

M

V

I

A

G

I

I

L

L

A

A

L

L

R

E

Q

M

R

R

D

H

E

K

N

T

G

G

E

R

G

G

A

Q

H

K

I

V

D

A

M

V

A

A

L

M

L

Q

D

D

Q17 (≠ L16) mutation to A: 45-fold decrease of the catalytic effiency.
R38 (= R37) binding
W48 (= W47) mutation to F: Little change in the affinity binding and catalytic efficiency, and it does not display major structural changes.; mutation to P: Little change in the affinity binding and catalytic efficiency. It exhibits substrate inhibition with oxalate. It does not display major structural changes.
R104 (≠ K109) binding
D169 (= D174) active site, Nucleophile; mutation to A: Loss of CoA-transferase activity.; mutation to E: Loss of CoA-transferase activity.; mutation to S: Loss of CoA-transferase activity.

Sites not aligning to the query:

259 G→A: 2.5-fold decrease of the catalytic effiency.
260 G→A: 25-fold decrease of the catalytic effiency. Reduction of the affinity binding for both formyl-CoA and oxalate.

1p5rA Formyl-coa transferase in complex with coenzyme a (see paper)
36% identity, 56% coverage: 2:207/368 of query aligns to 2:201/427 of 1p5rA

query
sites
1p5rA

K

K

P

P

L

L

A

D

G

G

I

I

K

N

V

V

V

L

E

D

L

F

A

T

R
x
H

I
x
V

L
x
Q

A
|
A

G

G

P

P

W

A

C

C

G

T

Q

Q

L

M

A

G

D

F

L

L

G

G

A

A

E

N

V

V

V

I

K

K

I

I

E
|
E

R
|
R

P

R

G

G

A

S

G

G

D

D

D

M

T

T

R

R

H

G

W

W

G

-

P

-

F

-

L

L

H

Q

D

D

A

K

E

P

G

-

N

-

D

N

R

V

D

D

A

S

A

L

Y

Y

Y

F

H

T

A

M

A

F

N

N

R

C

G

N

K

K

T

R

A

S

R

I

F

E

I
x
L

D
|
D

I
x
M

A
x
K

T

T

P

P

E

E

G

G

Q

K

A

E

E

L

V

L

R

E

A

Q

L

M

V

I

A

K

R

K

A

A

D

D

V

V

V

M

I

V

E

E

N
|
N

Y
x
F

K

G

V

P

G

G

G
x
A

L

L

V

D

K
x
R

Y
x
M

G

G

L

F

D

T

H

W

Q

E

S

Y

L

I

L

Q

A

E

V

L

N

N

P

P

R

R

L

V

I

I

T

L

C

A

S

S

I
x
V

T

K

G

G

F

Y

G

A

Q

E

T

G

G

H

P

A

Y

N

A

E

H

H

R

L

A
x
K

G
x
V

Y
|
Y

D
x
E

F

N

I

V

I

A

Q

Q

G

C

M

S

G

G

I

A

M

A

S

A

L

T

T

T

G

G

E

F

P

W

D

D

G

G

P

P

Q

T

K

V

A

S

G

G

I

A

A

A

Y

L

A

G

D
|
D

I

S

F

N

T

S

G

G

V

M

Y

H

S

L

A

M

V

I

A

G

I

I

L

L

A

A

L

L

R

E

Q

M

R

R

D

H

E

K

N

T

G

G

E

R

G

G

A

Q

H

K

I

V

D

A

M

V

A

A

L
x
M

L

Q

D

D

active site: Q16 (≠ L16), E139 (≠ D145), D168 (= D174)
binding coenzyme a: H14 (≠ R14), V15 (≠ I15), Q16 (≠ L16), A17 (= A17), E36 (= E36), R37 (= R37), L71 (≠ I77), D72 (= D78), M73 (≠ I79), K74 (≠ A80), N95 (= N101), F96 (≠ Y102), A100 (≠ G106), R103 (≠ K109), M104 (≠ Y110), V123 (≠ I129), K136 (≠ A142), V137 (≠ G143), Y138 (= Y144), D168 (= D174), M199 (≠ L205)

Sites not aligning to the query:

active site: 259, 260

2vjoA Formyl-coa transferase mutant variant q17a with aspartyl-coa thioester intermediates and oxalate (see paper)
36% identity, 56% coverage: 2:207/368 of query aligns to 2:201/427 of 2vjoA

query
sites
2vjoA

K

K

P

P

L

L

A

D

G

G

I

I

K

N

V

V

V

L

E

D

L

F

A

T

R
x
H

I
x
V

L
x
A

A
|
A

G

G

P

P

W

A

C

C

G

T

Q

Q

L

M

A

G

D

F

L

L

G

G

A

A

E

N

V

V

V

I

K

K

I

I

E
|
E

R
|
R

P

R

G

G

A

S

G

G

D

D

D
x
M

T

T

R

R

H

G

W

W

G

-

P

-

F

-

L

L

H

Q

D

D

A

K

E

P

G

-

N

-

D

N

R

V

D

D

A

S

A

L

Y

Y

Y

F

H

T

A

M

A

F

N

N

R

C

G

N

K

K

T

R

A

S

R

I

F

E

I
x
L

D
|
D

I
x
M

A
x
K

T

T

P

P

E

E

G

G

Q

K

A

E

E

L

V

L

R

E

A

Q

L

M

V

I

A

K

R

K

A

A

D

D

V

V

V

M

I

V

E

E

N
|
N

Y
x
F

K
x
G

V

P

G

G

G
x
A

L

L

V

D

K
x
R

Y
x
M

G

G

L

F

D

T

H

W

Q

E

S

Y

L

I

L

Q

A

E

V

L

N

N

P

P

R

R

L

V

I

I

T

L

C

A

S

S

I
x
V

T
x
K

G

G

F

Y

G

A

Q

E

T

G

G

H

P

A

Y

N

A

E

H

H

R

L

A
x
K

G
x
V

Y
|
Y

D
x
E

F

N

I

V

I

A

Q

Q

G

C

M

S

G

G

I

A

M

A

S

A

L

T

T

T

G

G

E

F

P

W

D

D

G

G

P

P

Q

T

K

V

A

S

G

G

I

A

A

A

Y

L

A

G

D
|
D

I

S

F

N

T

S

G

G

V

M

Y

H

S

L

A

M

V

I

A

G

I

I

L

L

A

A

L

L

R

E

Q

I

R

R

D

H

E

K

N

T

G

G

E

R

G

G

A

Q

H

K

I

V

D

A

M

V

A

A

L
x
M

L

Q

D

D

active site: A16 (≠ L16), E139 (≠ D145), D168 (= D174)
binding coenzyme a: H14 (≠ R14), V15 (≠ I15), A16 (≠ L16), A17 (= A17), E36 (= E36), R37 (= R37), M43 (≠ D43), L71 (≠ I77), D72 (= D78), M73 (≠ I79), K74 (≠ A80), N95 (= N101), F96 (≠ Y102), G97 (≠ K103), A100 (≠ G106), R103 (≠ K109), M104 (≠ Y110), V123 (≠ I129), K124 (≠ T130), K136 (≠ A142), V137 (≠ G143), Y138 (= Y144), D168 (= D174), M199 (≠ L205)

Sites not aligning to the query:

active site: 259, 260
binding oxalate ion: 257, 258, 259, 260, 261

2vjkA Formyl-coa transferase with aspartyl-coa thioester intermediate derived from oxalyl-coa (see paper)
36% identity, 56% coverage: 2:207/368 of query aligns to 2:201/427 of 2vjkA

query
sites
2vjkA

K

K

P

P

L

L

A

D

G

G

I

I

K

N

V

V

V

L

E

D

L

F

A

T

R
x
H

I
x
V

L
x
Q

A
|
A

G

G

P

P

W

A

C

C

G

T

Q

Q

L

M

A

G

D

F

L

L

G

G

A

A

E

N

V

V

V

I

K

K

I

I

E
|
E

R
|
R

P

R

G

G

A

S

G

G

D

D

D

M

T

T

R

R

H

G

W

W

G

-

P

-

F

-

L

L

H

Q

D

D

A

K

E

P

G

-

N

-

D

N

R

V

D

D

A

S

A

L

Y

Y

Y

F

H

T

A

M

A

F

N

N

R

C

G

N

K

K

T

R

A

S

R

I

F

E

I
x
L

D
|
D

I
x
M

A
x
K

T

T

P

P

E

E

G

G

Q

K

A

E

E

L

V

L

R

E

A

Q

L

M

V

I

A

K

R

K

A

A

D

D

V

V

V

M

I

V

E

E

N
|
N

Y
x
F

K
x
G

V

P

G

G

G
x
A

L

L

V

D

K
x
R

Y
x
M

G

G

L

F

D

T

H

W

Q

E

S

Y

L

I

L

Q

A

E

V

L

N

N

P

P

R

R

L

V

I

I

T

L

C

A

S

S

I
x
V

T

K

G

G

F

Y

G

A

Q

E

T

G

G

H

P

A

Y

N

A

E

H

H

R

L

A
x
K

G
x
V

Y
|
Y

D
x
E

F

N

I

V

I

A

Q

Q

G

C

M

S

G

G

I

A

M

A

S

A

L

T

T

T

G

G

E

F

P

W

D

D

G

G

P

P

Q

T

K

V

A

S

G

G

I

A

A

A

Y

L

A

G

D
|
D

I

S

F

N

T

S

G

G

V

M

Y

H

S

L

A

M

V

I

A

G

I

I

L

L

A

A

L

L

R

E

Q

I

R

R

D

H

E

K

N

T

G

G

E

R

G

G

A

Q

H

K

I

V

D

A

M

V

A

A

L
x
M

L

Q

D

D

active site: Q16 (≠ L16), E139 (≠ D145), D168 (= D174)
binding coenzyme a: H14 (≠ R14), V15 (≠ I15), Q16 (≠ L16), A17 (= A17), E36 (= E36), R37 (= R37), L71 (≠ I77), D72 (= D78), M73 (≠ I79), K74 (≠ A80), N95 (= N101), F96 (≠ Y102), G97 (≠ K103), A100 (≠ G106), R103 (≠ K109), M104 (≠ Y110), V123 (≠ I129), K136 (≠ A142), V137 (≠ G143), Y138 (= Y144), D168 (= D174), M199 (≠ L205)

Sites not aligning to the query:

1t3zA Formyl-coa tranferase mutant asp169 to ser (see paper)
36% identity, 56% coverage: 2:207/368 of query aligns to 2:201/427 of 1t3zA

query
sites
1t3zA

K

K

P

P

L

L

A

D

G

G

I

I

K

N

V

V

V

L

E

D

L

F

A

T

R
x
H

I
x
V

L
x
Q

A
|
A

G

G

P

P

W

A

C

C

G

T

Q

Q

L

M

A

G

D

F

L

L

G

G

A

A

E

N

V

V

V

I

K

K

I

I

E
|
E

R
|
R

P

R

G

G

A

S

G

G

D

D

D

M

T

T

R

R

H

G

W

W

G

-

P

-

F

-

L

L

H

Q

D

D

A

K

E

P

G

-

N

-

D

N

R

V

D

D

A

S

A

L

Y

Y

Y

F

H

T

A

M

A

F

N

N

R

C

G

N

K

K

T

R

A

S

R

I

F

E

I
x
L

D

D

I
x
M

A
x
K

T

T

P

P

E

E

G

G

Q

K

A

E

E

L

V

L

R

E

A

Q

L

M

V

I

A

K

R

K

A

A

D

D

V

V

V

M

I

V

E

E

N
|
N

Y
x
F

K
x
G

V

P

G

G

G
x
A

L

L

V

D

K
x
R

Y
x
M

G

G

L

F

D

T

H

W

Q

E

S

Y

L

I

L

Q

A

E

V

L

N

N

P

P

R

R

L

V

I

I

T

L

C

A

S

S

I
x
V

T

K

G

G

F

Y

G

A

Q

E

T

G

G

H

P

A

Y

N

A

E

H

H

R

L

A
x
K

G
x
V

Y
|
Y

D
x
E

F

N

I

V

I

A

Q

Q

G

C

M

S

G

G

I

A

M

A

S

A

L

T

T

T

G

G

E

F

P

W

D

D

G

G

P

P

Q

T

K

V

A

S

G

G

I

A

A

A

Y

L

A

G

D
x
S

I

S

F

N

T

S

G

G

V

M

Y

H

S

L

A

M

V

I

A

G

I

I

L

L

A

A

L

L

R

E

Q

I

R

R

D

H

E

K

N

T

G

G

E

R

G

G

A

Q

H

K

I

V

D

A

M

V

A

A

L
x
M

L

Q

D

D

active site: Q16 (≠ L16), E139 (≠ D145), S168 (≠ D174)
binding oxidized coenzyme a: H14 (≠ R14), V15 (≠ I15), Q16 (≠ L16), A17 (= A17), E36 (= E36), R37 (= R37), L71 (≠ I77), M73 (≠ I79), K74 (≠ A80), N95 (= N101), F96 (≠ Y102), G97 (≠ K103), A100 (≠ G106), R103 (≠ K109), M104 (≠ Y110), V123 (≠ I129), K136 (≠ A142), V137 (≠ G143), Y138 (= Y144), E139 (≠ D145), S168 (≠ D174), M199 (≠ L205)

Sites not aligning to the query:

active site: 259, 260

3ubmB Formyl-coa:oxalate coa-transferase from acetobacter aceti (see paper)
28% identity, 91% coverage: 2:336/368 of query aligns to 3:367/430 of 3ubmB

query
sites
3ubmB

K

K

P

P

L

L

A

D

G

G

I

I

K

K

V

V

V

I

E

D

L
x
F

A

G

R

G

I
x
V

L
x
Q

A
x
S

G

V

P

P

W

S

C

A

G

A

Q

Q

L

L

A

A

D

W

L

Y

G

G

A

A

E

D

V

V

V

I

K

K

I

I

E
|
E

R
|
R

P

V

G

G

A

V

G

G

D

D

D

I

T

T

R

R

H

N

W

-

G

-

P

-

F

Q

L

L

H

R

D

D

A

I

E

P

G

-

N

-

D

D

R

A

D

D

A

A

A

L

Y

Y

Y

F

H

T

A

M

A

L

N

N

R

C

G

N

K

K

T

R

A

S

R

V

F

E

I
x
L

D
x
N

I
x
T

A
x
K

T

T

P

P

E

E

G

G

Q

K

A

A

E

V

V

F

R

E

A

K

L

C

V

I

A

K

R

W

A

A

D

D

V

I

V

L

I

L

E

E

N
|
N

Y
x
F

K
x
R

V

P

G

G

G
x
A

L

M

V

E

K
x
R

Y
x
M

G

G

L

F

D

T

H

W

Q

E

S

Y

L

L

L

Q

A

Q

V

L

N

N

P

P

R

R

L

L

I

I

T

Y

C

G

S

T

I
x
V

T
x
K

G
|
G

F

F

G

G

Q

E

T

N

G

S

P

P

Y

W

A

A

H

G

R

V

A

S

G
x
A

Y

Y

D
x
E

F

N

I

V

I

A

Q

Q

G

C

M

A

G

G

I

A

M

T

S

S

L

T

T

T

G

G

E

Y

P

W

D

N

G

G

P

A

P

P

Q

L

K

V

A

D

G

G

-

Q

-

A

-

P

-

G

-

N

-

G

-

P

-

L

-

V

-

S

-

A

I

A

A

A

Y

L

A

G

D
|
D

I

S

F

N

T

T

G

G

V

N

Y

H

S

L

A

L

V

I

A

G

I

V

L

L

A

A

L

L

R

F

Q

G

R

R

D

E

E

R

N

T

G

G

E

K

G

G

A

Q

H

K

I

I

D

S

M

V

A

S

L
x
M

L

Q

D

D

-

A

-

V

-

L

-

N

-

L

T

C

Q

R

V

V

A

K

V

L

L

R

A

D

N

Q

Q

Q

A

R

L

L

N

E

W

R

M

V

A

G

S

Y

G

L

K

E

V

E

P

Y

H

P

R

Q

M

Y

G

P

N

N

G

G

H

K

A

F

N

G

-

D

-

T

-

V

-

P

-

R

-

G

-

N

-

A

-

G

-
x
G

-

Q

-

P

-

G

-

W

L

I

A

L

P

K

Y

C

Q

K

A

G

F

W

T

E

A

T

S

D

D

D

G

N

D

A

L

Y

I

I

I

Y

A

C

V

T

G

V

N

Q

D

E

G

Q

Q

D

F

W

A

G

K

P

L

T

C

C

T

E

V

A

L

I

G

G

L

K

-

P

D

E

L

W

H

A

N

T

N

D

P

P

D

K

F

Y

A

N

T

T

N

A

P

K

A

A

R

R

V

E

R

T

N

H

R

M

A

F

R

E

L

I

I

F

A

A

P

A

I

I

Q

E

A

K

A

A

V

I

A

A

G

D

W

K

T

T

K

K

Q

Y

A

E

L

A

S

V

D

A

A

H

L

L

E

A

A

K

Q

Y

G

R

V

V

P

P

A

C

G

S

P

P

I

V

N

L

D

S

I

M

G

K

E

E

V

I

F

A

A

E

D

A

P

P

Q

D

V

L

V

R

A

E

R

S

G

G

active site: Q17 (≠ L16), E140 (≠ D145), D182 (= D174), G261 (vs. gap), G262 (vs. gap)
binding coenzyme a: F13 (≠ L12), V16 (≠ I15), S18 (≠ A17), E37 (= E36), R38 (= R37), L72 (≠ I77), N73 (≠ D78), T74 (≠ I79), K75 (≠ A80), N96 (= N101), F97 (≠ Y102), R98 (≠ K103), A101 (≠ G106), R104 (≠ K109), M105 (≠ Y110), V124 (≠ I129), K125 (≠ T130), G126 (= G131), A138 (≠ G143), D182 (= D174), M213 (≠ L205)

1q7eA Crystal structure of yfdw protein from e. Coli (see paper)
28% identity, 91% coverage: 3:336/368 of query aligns to 4:347/410 of 1q7eA

query
sites
1q7eA

P

P

L

L

A

Q

G

G

I

I

K

K

V

V

V

L

E

D

L

F

A

T

R

G

I

V

L
x
Q

A

S

G

G

P

P

W

S

C

C

G

T

Q

Q

L

M

L

L

A

A

D

W

L

F

G

G

A

A

E

D

V

V

V

I

K

K

I

I

E

E

R

R

P

P

G

G

A

V

G

G

D

D

D

V

T

T

R

R

H

H

W

Q

G

-

P

-

F

-

L

L

H

R

D

D

A

I

E

P

G

-

N

-

D

D

R

I

D

D

A

A

A

L

Y

Y

Y

F

H

T

A

M

A

L

N

N

R

S

G

N

K

K

T

R

A

S

R

I

F

E

I

L

D

N

I

T

A

K

T

T

P

A

E

E

G

G

Q

K

A

E

E

V

V

M

R

E

A

K

L

L

V

I

A

R

R

E

A

A

D

D

V

I

V

L

I

V

E

E

N
|
N

Y
x
F

K

-

V

-

G

-

L

-

V

-

K

-

Y
x
H

G
x
P

L

F

D

T

H

W

Q

E

S

H

L

I

L

Q

A

E

V

I

N

N

P

P

R

R

L

L

I

I

T

F

C

G

S

S

I
|
I

T
x
K

G
|
G

F

F

G

D

Q

E

T

C

G

S

P

P

Y

Y

A

V

H

N

R

V

A
x
K

G
x
A

Y

Y

D
x
E

F

N

I

V

I

A

Q

Q

G

A

M

A

G

G

I

A

M

A

S

S

L

T

T

T

G

G

E

F

P

W

D

D

G

G

P

P

Q

L

K

V

A

S

G

A

I

A

A

A

Y

L

A

G

D
|
D

I

S

F

N

T

T

G

G

V

M

Y

H

S

L

A

L

V

I

A

G

I

L

L

L

A

A

L

L

R

L

Q

H

R

R

D

E

E

K

N

T

G

G

E

R

G

G

A

Q

H

R

I

V

D

T

M

M

A

S

L
x
M

L

Q

D

D

-

A

-

V

-

L

-

N

-

L

T

C

Q

R

V

V

A

K

V

L

L

R

A

D

N

Q

Q

Q

A

R

L

L

N

D

W

K

M

L

A

G

S

Y

G

L

K

E

V

E

P

Y

H

P

R

Q

M

Y

G

P

N

N

G

G

H

T

A

F

N

G

-

D

-

A

-

V

-

P

-

R

-

G

-

N

-

A

-

G

-
x
G

-

Q

-

P

-

G

-
x
W

L

I

A

L

P

K

Y

C

Q

K

A

G

F

W

T

E

A

T

S

D

D

P

G

N

D

A

L

Y

I

I

I

Y

A

F

V

T

G

I

N

Q

D

E

G

Q

Q

N

F

W

A

E

K

N

L

T

C

C

T

K

V

A

L

I

G

G

L

-

D

-

L

-

H

-

N

-

N

K

P

P

D

E

F

W

A

I

T

T

N

D

P

P

A

A

R

Y

V

S

R

T

N

A

R

H

A

A

R

R

-

Q

-

P

-

H

-

I

-
x
F

-

D

L

I

I
x
F

A
|
A

P

E

I

I

Q
x
E

A

K

A

Y

V

T

A

V

G

T

W

I

T

D

K

K

Q

H

A

E

L

A

S

V

D

A

A

Y

L

L

E

T

A

Q

Q

F

G

D

V

I

P

P

A

C

G

A

P

P

I

V

N

L

D

S

I

M

G

K

E

E

V

I

F

S

A

L

D

D

P

P

Q

S

V

L

V

R

A

Q

R

S

G

G

active site: Q17 (≠ L16), E133 (≠ D145), D162 (= D174), G241 (vs. gap), G242 (vs. gap)
binding methionine: N96 (= N101), F97 (≠ Y102), H98 (≠ Y110), P99 (≠ G111), I117 (= I129), K118 (≠ T130), G119 (= G131), K130 (≠ A142), A131 (≠ G143), M193 (≠ L205), W246 (vs. gap), F299 (vs. gap), F302 (≠ I291), A303 (= A292), E306 (≠ Q295)

O06543 Alpha-methylacyl-CoA racemase; AMACR; MtMCR; EC 5.1.99.4 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 3 papers)
31% identity, 99% coverage: 3:365/368 of query aligns to 4:344/360 of O06543

query
sites
O06543

P

P

L

L

A

S

G

G

I

L

K

R

V

V

E

E

L

L

A

A

R

G

I

I

L

G

A

P

G

G

P

P

W

H

C

A

G

A

Q

M

L

I

L

L

A

G

D

D

L

L

G

G

A

A

E

D

V

V

K

R

I

I

E

D

R
|
R

P

P

G

S

A

S

G

V

D

D

D

-

T

-

R

-

H

-

W

-

G

-

P

-

F

-

L

-

H

-

D

-

A

-

E

-

G

G

N

I

D

S

R

R

D

D

A

A

A

M

Y

L

Y

-

H

-

A

-

N

-

R
|
R

G

N

K

R

T

R

A
x
I

R

V

F

T

I
x
A

D
|
D

I
x
L

A
x
K

T

S

P

D

E

Q

G

G

Q

L

A

E

E

L

V

A

R

L

A

K

L

L

V

I

A

A

R

K

A

A

D

D

V

V

V

L

I

I

E
|
E

N
x
G

Y
|
Y

K
x
R

V

P

G

G

G

V

L

T

V

E

K
x
R

Y

L

G

G

L

L

D

G

H

P

Q

E

S

E

L

C

L

A

A

K

V

V

N

N

P

D

R

R

L

L

I

I

T

Y

C

A

S

R

I
x
M

T

T

G

G

F

W

G

G

Q

Q

T

T

G

G

P

P

Y

R

A

S

H

Q

R

Q

A

A

G
|
G

Y
x
H

D
|
D

F
x
I

I
x
N

I
x
Y

Q

I

G

S

M

L

G

N

G

G

I

I

M

L

S

H

L

A

T

I

G

G

E

R

P

G

D

D

G

E

P

R

P

P

Q

V

K

P

A

P

G

L

I

N

A

L

Y

V

A

G

D
|
D

I

F

F

G

T

G

G

G

-

S

V

M

Y

F

S

L

A

L

V

V

A

G

I

I

L

L

A

A

L

L

R

W

Q

E

R

R

D

Q

E

S

N

S

G

G

E

K

G

G

A

Q

H

V

I

V

D

D

M

A

A

A

L

M

L

V

D
|
D

T

G

Q

S

V

-

A

S

V

V

L

L

A

I

N

Q

Q

M

A

M

L

W

N

A

W

M

M

R

A

A

S

T

G

G

K

M

V

W

P

T

H

D

R

T

M

R

G

G

N

-

G

-

H

-

A

A

N

N

L

M

-

L

-

D

-

G

A

A

P

P

-

Y

Y

Y

Q

D

A

T

F

Y

T

E

A

C

S

A

D

D

G

G

D

R

L

Y

I

V

I

A

A

V

V

G

G

A

N

I

D
x
E

G

P

Q

Q

F

F

-

Y

A

A

K

A

L

M

C

L

T

A

V

G

L

L

G

G

L

L

D

D

L

A

H

A

N

E

N

L

P

P

D

-

F

-

A

-

T

-

N

-

P

P

A

Q

R

N

V

D

R

R

N

A

R

R

-

W

A

P

R

E

L

L

I

R

A

A

P

L

I

L

Q

T

A

E

A

A

V

F

A

A

G

S

W

H

T

D

K

R

Q

D

A

H

L

W

S

G

D

A

A

V

L

F

E

A

A

N

Q

S

G

D

V

A

P
x
C

A

V

G

T

P

P

I

V

N

L

D

A

I

F

G

G

E

E

V

V

F

H

A

N

D

E

P

P

Q
x
H

V

I

A

E

R

R

G

N

M

T

Q

F

I

Y

A

E

A

A

-

N

G

G

L

W

P

Q

G

P

V

M

A

P

S

A

P

P

I

R

V

F

I

-

D

-

G

-

E

S

R

R

M

T

V

A

S

S

G

S

Q

Q

P

P

S

R

P

P

R38 (= R37) binding
R52 (= R70) mutation to A: 15.7% of wild-type activity.
I56 (≠ A74) mutation to P: 28.8% of wild-type activity.
ADLK 59:62 (≠ IDIA 77:80) binding
E82 (= E100) mutation to A: 12.5% of wild-type activity.
GYR 83:85 (≠ NYK 101:103) binding
R91 (≠ K109) binding ; mutation to A: 19.9% of wild-type activity.
M111 (≠ I129) mutation to P: 5.2% of wild-type activity.
GHDINY 125:130 (≠ GYDFII 143:148) binding
H126 (≠ Y144) mutation to A: 4.5% of wild-type activity.
D156 (= D174) mutation to A: 17.6 of wild-type activity.
D190 (= D207) mutation to A: 3.3% of wild-type activity.
E241 (≠ D257) mutation to A: 2.1% of wild-type activity.
C297 (≠ P316) mutation to A: 6.2% of wild-type activity.
H312 (≠ Q331) mutation to A: 10.1% of wild-type activity.

2yimA The enolisation chemistry of a thioester-dependent racemase: the 1.4 a crystal structure of a complex with a planar reaction intermediate analogue (see paper)
30% identity, 99% coverage: 3:365/368 of query aligns to 3:339/355 of 2yimA

query
sites
2yimA

P

P

L

L

A

S

G

G

I

L

K

R

V

V

E

E

L

L

A

A

R

G

I
|
I

L
x
G

A
x
P

G

G

P

P

W

H

C

A

G

A

Q

M

L

I

L

L

A

G

D

D

L

L

G

G

A

A

E

D

V

V

K

R

I

I

E
x
D

R
|
R

P

P

G

S

A

I

G

S

D

R

D

D

T

-

R

-

H

-

W

-

G

-

P

-

F

-

L

-

H

-

D

-

A

-

E

-

G

-

N

-

D

-

R

-

D

-

A

-

Y

-

H

-

A

A

A

M

N

L

R

R

G

N

K

R

T

R

A

I

R

V

F

T

I
x
A

D
|
D

I
x
L

A
x
K

T

S

P

D

E

Q

G

G

Q

L

A

E

E

L

V

A

R

L

A

K

L

L

V

I

A

A

R

K

A

A

D

D

V

V

V

L

I

I

E

E

N
x
G

Y
|
Y

K
x
R

V

P

G

G

G
x
V

L

T

V

E

K
x
R

Y
x
L

G

G

L

L

D

G

H

P

Q

E

S

E

L

C

L

A

A

K

V

V

N

N

P

D

R

R

L

L

I

I

T

Y

C

A

S

R

I

M

T
|
T

G

G

F

W

G

G

Q

Q

T

T

G

G

P

P

Y

R

A

S

H

Q

R

Q

A
|
A

G
|
G

Y
x
H

D
|
D

F

I

I

N

I
x
Y

Q

I

G

S

M

L

G

N

G

G

I

I

M

L

S

H

L

A

T

I

G

G

E

R

P

G

D

D

G

E

P

R

P

P

Q

V

K

P

A

P

G

L

I
x
N

A

L

Y

V

A

G

D
|
D

I

F

F

G

T

G

G

G

-

S

V

M

Y

F

S

L

A

L

V

V

A

G

I

I

L

L

A

A

L

L

R

W

Q

E

R

R

D

Q

E

S

N

S

G

G

E

K

G

G

A

Q

H

V

I

V

D

D

M

A

A

A

L
x
M

L

V

D

D

T

G

Q

S

V

-

A

S

V

V

L

L

A

I

N

Q

Q

M

A

M

L

W

N

A

W

M

M

R

A

A

S

T

G

G

K

M

V

W

P

T

H

D

R

T

M

R

G

G

N

-

G

-

H

-

A

A

N

N

L

M

-
x
L

-

D

-
x
G

A

A

P

P

-

Y

Y
|
Y

Q

D

A

T

F

Y

T

E

A

C

S

A

D

D

G

G

D

R

L

Y

I

V

I

A

A

V

V

G

G

A

N

I

D

E

G

P

Q

Q

F
|
F

-

Y

A

A

K

A

L

M

C

L

T

A

V

G

L

L

G

G

L

L

D

D

L

A

H

A

N

E

N

L

P

P

D

-

F

-