SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 16476 FitnessBrowser__Keio:16476 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)

Q9HAC7 Succinyl-CoA:glutarate CoA-transferase; Dermal papilla-derived protein 13; Dicarboxyl-CoA:dicarboxylic acid coenzyme A transferase SUGCT; Succinate--hydroxymethylglutarate CoA-transferase; EC 2.8.3.-; EC 2.8.3.13 from Homo sapiens (Human) (see 3 papers)
33% identity, 97% coverage: 9:378/381 of query aligns to 40:414/438 of Q9HAC7

query
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D205 (= D173) mutation to A: Loss of CoA transferase activity toward glutaryl-CoA and 3-hydroxy-3-methylglutarate substrates.
R329 (≠ T297) to W: in GA3; severely decreased protein stability and processing; dbSNP:rs137852860

9br7C Succinate--hydroxymethylglutarate CoA-transferase (see paper)
33% identity, 97% coverage: 9:378/381 of query aligns to 5:379/403 of 9br7C

query
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9br7C

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binding losartan carboxylic acid: V17 (= V21), L18 (= L22), W49 (≠ F53), Y60 (= Y63), Y140 (= Y143), D141 (= D144), V166 (≠ T169), D170 (= D173)

3ubmB Formyl-coa:oxalate coa-transferase from acetobacter aceti (see paper)
30% identity, 97% coverage: 9:379/381 of query aligns to 4:412/430 of 3ubmB

query
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3ubmB

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active site: Q17 (≠ L22), E140 (≠ D144), D182 (= D173), G261 (vs. gap), G262 (vs. gap)
binding coenzyme a: V16 (= V21), R38 (≠ P43), L72 (= L76), N73 (≠ D77), T74 (≠ L78), K75 (= K79), N96 (= N100), F97 (= F101), R98 (= R102), A101 (≠ T105), R104 (≠ K108), K125 (≠ S129), D182 (= D173), M213 (= M204)

1p5rA Formyl-coa transferase in complex with coenzyme a (see paper)
30% identity, 97% coverage: 9:379/381 of query aligns to 3:411/427 of 1p5rA

query
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1p5rA

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K

K

S

E

I

L

F

L

I

E

N

Q

M

M

L

I

K

K

Q

K

A

A

D

D

V

V

L

M

A

V

E

E

N
|
N

F
|
F

R

G

P

P

G

G

T
x
A

M

L

E

D

K
x
R

L

M

G

G

F

F

S

T

W

W

E

E

T

Y

L

I

Q

Q

E

E

I

L

N

N

P

P

R

R

L

V

I

I

Y

L

A

A

S

S

S

V

S

K

G

G

F

Y

G

A

H

E

T

G

G

H

P

A

L

N

K

E

D

H

A

L

P
x
K

A
x
V

Y

Y

D
x
E

T

N

I

V

I

A

Q

Q

A

C

M

S

S

G

G

G

I

A

M

A

E

T

T

T

G

G

Y

F

P

W

D

D

A

G

P

P

V

T

R

V

V

S

G

G

T

A

S

A

L

L

A

G

D
|
D

L

S

C

N

G

S

G

G

V

M

Y

H

L

L

F

M

S

I

G

G

I

I

V

L

S

A

A

A

L

L

Y

E

G

M

R

R

E

H

K

K

S

T

Q

G

R

R

G

G

A

Q

H

K

V

V

D

A

I

V

A

A

M
|
M

F

Q

D

D

A

A

T

V

L

L

S

N

F

L

L

V

E

R

H

I

G

K

L

L

M

-

A

-

Y

-

I

-

A

-

T

-

G

-

K

R

S

D

P

Q

Q

Q

R

R

L

L

G

E

N

R

-

T

-

G

-

I

-

L

-

A

R

E

H

Y

P

P

Y

Q

M

A

A

Q

P

P

F

N

D

F

V

A

F

F

N

D

T

R

Q

D

D

G

K

N

P

P

I

L

T

S

I

F

-

D

-

N

-

I

-

T

-

S

-

V

-

P

-

R

-

G

-

N

-

A

-

G

-
x
G

-

Q

-

P

-

G

-

W

-

M

-

L

-

K

C

C

C

K

G

G

N

W

D

E

-

T

-

D

-

A

-

D

-

S

-

Y

-

V

-

Y

-

F

-

T

-

I

-

A

K

N

L

M

F

W

S

P

A

Q

L

I

C

C

Q

D

A

M

L

I

E

D

L

K

T

P

E

E

L

W

V

K

N

D

D

D

P

P

R

A

F

Y

S

N

S

T

N

F

I

E

L

G

R

R

V

V

Q

D

N

K

Q

L

A

M

I

D

L

I

K

F

Q

S

Y

F

I

I

E

E

R

T

T

K

L

F

-

A

-

D

-

K

-

D

K

K

T

F

Q

E

A

V

A

T

E

E

V

-

W

W

L

A

A

A

R

-

I

-

H

-

E

Q

V

Y

G

G

V

I

P

P

V

C

A

G

P

P

L

V

L

M

S

S

V

M

A

K

E

E

A

L

I

A

K

H

L

D

P

P

Q

S

T

L

Q

Q

A

K

R

V

N

G

M

T

L

V

I

V

E

E

A

V

-

V

-

D

-

E

-

I

-

R

G

G

G

N

I

H

M

L

M

T

P

V

G

G

N

A

P

P

I

F

K

K

I

F

S

S

G

G

C

F

A

-

D

Q

P

P

H

E

V

I

M

T

P

R

G

-

A

A

A

P

T

L

L

L

D

G

Q

E

H

H

G

T

E

D

Q

E

I

V

R

L

Q

K

E

E

F

L

active site: Q16 (≠ L22), E139 (≠ D144), D168 (= D173), G259 (vs. gap), G260 (vs. gap)
binding coenzyme a: H14 (= H20), V15 (= V21), Q16 (≠ L22), A17 (≠ N23), R37 (≠ P43), M73 (≠ L78), K74 (= K79), N95 (= N100), F96 (= F101), A100 (≠ T105), R103 (≠ K108), K136 (≠ P141), V137 (≠ A142), D168 (= D173), M199 (= M204)

O06644 Formyl-CoA:oxalate CoA-transferase; FCOCT; Formyl-coenzyme A transferase; EC 2.8.3.16 from Oxalobacter formigenes (see 4 papers)
30% identity, 97% coverage: 9:379/381 of query aligns to 4:412/428 of O06644

query
sites
O06644

P

P

F

L

E

D

G

G

L

I

L

N

V

V

I

L

D

D

M

F

T

T

H

H

V

V

L
x
Q

N

A

G

G

P

P

F

A

G

C

T

T

Q

Q

L

M

C

G

N

F

M

L

G

G

A

A

R

N

V

V

I

I

K

K

V

I

E

E

P
x
R

P

R

G

G

H

S

G

G

D

D

D

M

T

T

R

R

T

G

F
x
W

-

L

-

Q

-

D

G

K

P

P

Y

N

V

V

D

D

G

-

Q

-

S

S

L

L

Y

Y

Y

F

S

T

F

M

I

F

N

N

H

C

G

N

K

K

E

R

S

S

V

I

V

E

L

L

D

D

L

M

K

K

N

T

D

P

H

E

D

G

K

K

S

E

I

L

F

L

I

E

N

Q

M

M

L

I

K

K

Q

K

A

A

D

D

V

V

L

M

A

V

E

E

N

N

F

F

R

G

P

P

G

G

T

A

M

L

E

D

K
x
R

L

M

G

G

F

F

S

T

W

W

E

E

T

Y

L

I

Q

Q

E

E

I

L

N

N

P

P

R

R

L

V

I

I

Y

L

A

A

S

S

S

V

S

K

G

G

F

Y

G

A

H

E

T

G

G

H

P

A

L

N

K

E

D

H

A

L

P

K

A

V

Y

Y

D

E

T

N

I

V

I

A

Q

Q

A

C

M

S

S

G

G

G

I

A

M

A

E

T

T

T

G

G

Y

F

P

W

D

D

A

G

P

P

V

T

R

V

V

S

G

G

T

A

S

A

L

L

A

G

D
|
D

L

S

C

N

G

S

G

G

V

M

Y

H

L

L

F

M

S

I

G

G

I

I

V

L

S

A

A

A

L

L

Y

E

G

M

R

R

E

H

K

K

S

T

Q

G

R

R

G

G

A

Q

H

K

V

V

D

A

I

V

A

A

M

M

F

Q

D

D

A

A

T

V

L

L

S

N

F

L

L

V

E

R

H

I

G

K

L

L

M

-

A

-

Y

-

I

-

A

-

T

-

G

-

K

R

S

D

P

Q

Q

Q

R

R

L

L

G

E

N

R

-

T

-

G

-

I

-

L

-

A

R

E

H

Y

P

P

Y

Q

M

A

A

Q

P

P

F

N

D

F

V

A

F

F

N

D

T

R

Q

D

D

G

K

N

P

P

I

L

T

S

I

F

-

D

-

N

-

I

-

T

-

S

-

V

-

P

-

R

-

G

-

N

-

A

-

G

-
x
G

-

G

-

Q

-

P

-

G

-

W

-

M

-

L

-

K

C

C

C

K

G

G

N

W

D

E

-

T

-

D

-

A

-

D

-

S

-

Y

-

V

-

Y

-

F

-

T

-

I

-

A

K

N

L

M

F

W

S

P

A

Q

L

I

C

C

Q

D

A

M

L

I

E

D

L

K

T

P

E

E

L

W

V

K

N

D

D

D

P

P

R

A

F

Y

S

N

S

T

N

F

I

E

L

G

R

R

V

V

Q

D

N

K

Q

L

A

M

I

D

L

I

K

F

Q

S

Y

F

I

I

E

E

R

T

T

K

L

F

-

A

-

D

-

K

-

D

K

K

T

F

Q

E

A

V

A

T

E

E

V

-

W

W

L

A

A

A

R

-

I

-

H

-

E

Q

V

Y

G

G

V

I

P

P

V

C

A

G

P

P

L

V

L

M

S

S

V

M

A

K

E

E

A

L

I

A

K

H

L

D

P

P

Q

S

T

L

Q

Q

A

K

R

V

N

G

M

T

L

V

I

V

E

E

A

V

-

V

-

D

-

E

-

I

-

R

G

G

G

N

I

H

M

L

M

T

P

V

G

G

N

A

P

P

I

F

K

K

I

F

S

S

G

G

C

F

A

-

D

Q

P

P

H

E

V

I

M

T

P

R

G

-

A

A

A

P

T

L

L

L

D

G

Q

E

H

H

G

T

E

D

Q

E

I

V

R

L

Q

K

E

E

F

L

Q17 (≠ L22) mutation to A: 45-fold decrease of the catalytic effiency.
R38 (≠ P43) binding CoA
W48 (≠ F53) 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 (≠ K108) binding CoA
D169 (= D173) 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.
G259 (vs. gap) mutation to A: 2.5-fold decrease of the catalytic effiency.
G260 (vs. gap) mutation to A: 25-fold decrease of the catalytic effiency. Reduction of the affinity binding for both formyl-CoA and oxalate.

2vjoA Formyl-coa transferase mutant variant q17a with aspartyl-coa thioester intermediates and oxalate (see paper)
30% identity, 97% coverage: 9:379/381 of query aligns to 3:411/427 of 2vjoA

query
sites
2vjoA

P

P

F

L

E

D

G

G

L

I

L

N

V

V

I

L

D

D

M

F

T

T

H
|
H

V

V

L
x
A

N
x
A

G

G

P

P

F

A

G

C

T

T

Q

Q

L

M

C

G

N

F

M

L

G

G

A

A

R

N

V

V

I

I

K

K

V

I

E

E

P
x
R

P

R

G

G

H

S

G

G

D

D

D

M

T

T

R

R

T

G

F

W

-

L

-

Q

-

D

G

K

P

P

Y

N

V

V

D

D

G

-

Q

-

S

S

L

L

Y

Y

Y

F

S

T

F

M

I

F

N

N

H

C

G

N

K

K

E

R

S

S

V

I

V

E

L
|
L

D

D

L
x
M

K

K

N

T

D

P

H

E

D

G

K

K

S

E

I

L

F

L

I

E

N

Q

M

M

L

I

K

K

Q

K

A

A

D

D

V

V

L

M

A

V

E

E

N
|
N

F
|
F

R
x
G

P

P

G

G

T

A

M

L

E

D

K
x
R

L
x
M

G

G

F

F

S

T

W

W

E

E

T

Y

L

I

Q

Q

E

E

I

L

N

N

P

P

R

R

L

V

I

I

Y

L

A

A

S

S

S

V

S

K

G

G

F

Y

G

A

H

E

T

G

G

H

P

A

L

N

K

E

D

H

A

L

P
x
K

A
x
V

Y
|
Y

D
x
E

T

N

I

V

I

A

Q

Q

A

C

M

S

S

G

G

G

I

A

M

A

E

T

T

T

G

G

Y

F

P

W

D

D

A

G

P

P

V

T

R

V

V

S

G

G

T

A

S

A

L

L

A

G

D
|
D

L

S

C

N

G

S

G

G

V

M

Y

H

L

L

F

M

S

I

G

G

I

I

V

L

S

A

A

A

L

L

Y

E

G

I

R

R

E

H

K

K

S

T

Q

G

R

R

G

G

A

Q

H

K

V

V

D

A

I

V

A

A

M
|
M

F

Q

D

D

A

A

T

V

L

L

S

N

F

L

L

V

E

R

H

I

G

K

L

L

M

-

A

-

Y

-

I

-

A

-

T

-

G

-

K

R

S

D

P

Q

Q

Q

R

R

L

L

G

E

N

R

-

T

-

G

-

I

-

L

-

A

R

E

H

Y

P

P

Y

Q

M

A

A

Q

P

P

F

N

D

F

V

A

F

F

N

D

T

R

Q

D

D

G

K

N

P

P

I

L

T

S

I

F

-

D

-

N

-

I

-

T

-

S

-

V

-

P

-

R

-

G

-

N

-

A

-
x
G

-

G

-
x
G

-
x
Q

-

P

-

G

-

W

-

M

-

L

-

K

C

C

C

K

G

G

N

W

D

E

-

T

-

D

-

A

-

D

-

S

-

Y

-

V

-

Y

-

F

-

T

-

I

-

A

K

N

L

M

F

W

S

P

A

Q

L

I

C

C

Q

D

A

M

L

I

E

D

L

K

T

P

E

E

L

W

V

K

N

D

D

D

P

P

R

A

F

Y

S

N

S

T

N

F

I

E

L

G

R

R

V

V

Q

D

N

K

Q

L

A

M

I

D

L

I

K

F

Q

S

Y

F

I

I

E

E

R

T

T

K

L

F

-

A

-

D

-

K

-

D

K

K

T

F

Q

E

A

V

A

T

E

E

V

-

W

W

L

A

A

A

R

-

I

-

H

-

E

Q

V

Y

G

G

V

I

P

P

V

C

A

G

P

P

L

V

L

M

S

S

V

M

A

K

E

E

A

L

I

A

K

H

L

D

P

P

Q

S

T

L

Q

Q

A

K

R

V

N

G

M

T

L

V

I

V

E

E

A

V

-

V

-

D

-

E

-

I

-

R

G

G

G

N

I

H

M

L

M

T

P

V

G

G

N

A

P

P

I

F

K

K

I

F

S

S

G

G

C

F

A

-

D

Q

P

P

H

E

V

I

M

T

P

R

G

-

A

A

A

P

T

L

L

L

D

G

Q

E

H

H

G

T

E

D

Q

E

I

V

R

L

Q

K

E

E

F

L

active site: A16 (≠ L22), E139 (≠ D144), D168 (= D173), G259 (vs. gap), G260 (vs. gap)
binding coenzyme a: H14 (= H20), A16 (≠ L22), A17 (≠ N23), R37 (≠ P43), L71 (= L76), M73 (≠ L78), N95 (= N100), F96 (= F101), G97 (≠ R102), R103 (≠ K108), M104 (≠ L109), K136 (≠ P141), V137 (≠ A142), Y138 (= Y143), D168 (= D173), M199 (= M204)
binding oxalate ion: G257 (vs. gap), G259 (vs. gap), Q261 (vs. gap)

2vjkA Formyl-coa transferase with aspartyl-coa thioester intermediate derived from oxalyl-coa (see paper)
30% identity, 97% coverage: 9:379/381 of query aligns to 3:411/427 of 2vjkA

query
sites
2vjkA

P

P

F

L

E

D

G

G

L

I

L

N

V

V

I

L

D

D

M

F

T

T

H
|
H

V

V

L
x
Q

N
x
A

G

G

P

P

F

A

G

C

T

T

Q

Q

L

M

C

G

N

F

M

L

G

G

A

A

R

N

V

V

I

I

K

K

V

I

E

E

P
x
R

P

R

G

G

H

S

G

G

D

D

D

M

T

T

R

R

T

G

F

W

-

L

-

Q

-

D

G

K

P

P

Y

N

V

V

D

D

G

-

Q

-

S

S

L

L

Y

Y

Y

F

S

T

F

M

I

F

N

N

H

C

G

N

K

K

E

R

S

S

V

I

V

E

L

L

D

D

L
x
M

K
|
K

N

T

D

P

H

E

D

G

K

K

S

E

I

L

F

L

I

E

N

Q

M

M

L

I

K

K

Q

K

A

A

D

D

V

V

L

M

A

V

E

E

N
|
N

F
|
F

R
x
G

P

P

G

G

T

A

M

L

E

D

K
x
R

L
x
M

G

G

F

F

S

T

W

W

E

E

T

Y

L

I

Q

Q

E

E

I

L

N

N

P

P

R

R

L

V

I

I

Y

L

A

A

S

S

S

V

S

K

G

G

F

Y

G

A

H

E

T

G

G

H

P

A

L

N

K

E

D

H

A

L

P
x
K

A
x
V

Y
|
Y

D
x
E

T

N

I

V

I

A

Q

Q

A

C

M

S

S

G

G

G

I

A

M

A

E

T

T

T

G

G

Y

F

P

W

D

D

A

G

P

P

V

T

R

V

V

S

G

G

T

A

S

A

L

L

A

G

D
|
D

L

S

C

N

G

S

G

G

V

M

Y

H

L

L

F

M

S

I

G

G

I

I

V

L

S

A

A

A

L

L

Y

E

G

I

R

R

E

H

K

K

S

T

Q

G

R

R

G

G

A

Q

H

K

V

V

D

A

I

V

A

A

M
|
M

F

Q

D

D

A

A

T

V

L

L

S

N

F

L

L

V

E

R

H

I

G

K

L

L

M

-

A

-

Y

-

I

-

A

-

T

-

G

-

K

R

S

D

P

Q

Q

Q

R

R

L

L

G

E

N

R

-

T

-

G

-

I

-

L

-

A

R

E

H

Y

P

P

Y

Q

M

A

A

Q

P

P

F

N

D

F

V

A

F

F

N

D

T

R

Q

D

D

G

K

N

P

P

I

L

T

S

I

F

-

D

-

N

-

I

-

T

-

S

-

V

-

P

-

R

-

G

-

N

-

A

-

G

-
x
G

-

Q

-

P

-

G

-

W

-

M

-

L

-

K

C

C

C

K

G

G

N

W

D

E

-

T

-

D

-

A

-

D

-

S

-

Y

-

V

-

Y

-

F

-

T

-

I

-

A

K

N

L

M

F

W

S

P

A

Q

L

I

C

C

Q
x
D

A

M

L

I

E
x
D

L

K

T

P

E

E

L

W

V

K

N

D

D

D

P

P

R

A

F

Y

S

N

S

T

N

F

I

E

L

G

R

R

V

V

Q

D

N

K

Q

L

A

M

I

D

L

I

K

F

Q

S

Y

F

I

I

E

E

R

T

T

K

L

F

-

A

-

D

-

K

-

D

K

K

T

F

Q

E

A

V

A

T

E

E

V

-

W

W

L

A

A

A

R

-

I

-

H

-

E

Q

V

Y

G

G

V

I

P

P

V

C

A

G

P

P

L

V

L

M

S

S

V

M

A

K

E

E

A

L

I

A

K

H

L

D

P

P

Q

S

T

L

Q

Q

A

K

R

V

N

G

M

T

L

V

I

V

E

E

A

V

-

V

-

D

-

E

-

I

-

R

G

G

G

N

I

H

M

L

M

T

P

V

G

G

N

A

P

P

I

F

K

K

I

F

S

S

G

G

C

F

A

-

D

Q

P

P

H

E

V

I

M

T

P

R

G

-

A

A

A

P

T

L

L

L

D

G

Q

E

H

H

G

T

E

D

Q

E

I

V

R

L

Q

K

E

E

F

L

active site: Q16 (≠ L22), E139 (≠ D144), D168 (= D173), G259 (vs. gap), G260 (vs. gap)
binding coenzyme a: H14 (= H20), Q16 (≠ L22), A17 (≠ N23), R37 (≠ P43), M73 (≠ L78), K74 (= K79), N95 (= N100), F96 (= F101), G97 (≠ R102), R103 (≠ K108), M104 (≠ L109), K136 (≠ P141), V137 (≠ A142), Y138 (= Y143), D168 (= D173), M199 (= M204)
binding magnesium ion: D293 (≠ Q264), D296 (≠ E267)

1t4cA Formyl-coa transferase in complex with oxalyl-coa (see paper)
30% identity, 97% coverage: 9:379/381 of query aligns to 3:411/427 of 1t4cA

query
sites
1t4cA

P

P

F

L

E

D

G

G

L

I

L

N

V

V

I

L

D

D

M

F

T

T

H
|
H

V
|
V

L
x
Q

N

A

G

G

P

P

F

A

G

C

T

T

Q

Q

L

M

C

G

N

F

M

L

G

G

A

A

R

N

V

V

I

I

K

K

V

I

E

E

P
x
R

P

R

G

G

H

S

G

G

D

D

D

M

T

T

R

R

T

G

F

W

-

L

-

Q

-

D

G

K

P

P

Y

N

V

V

D

D

G

-

Q

-

S

S

L

L

Y

Y

Y

F

S

T

F

M

I

F

N

N

H

C

G

N

K

K

E

R

S

S

V

I

V

E

L

L

D

D

L
x
M

K

K

N

T

D

P

H

E

D

G

K

K

S

E

I

L

F

L

I

E

N

Q

M

M

L

I

K

K

Q

K

A

A

D

D

V

V

L

M

A

V

E

E

N
|
N

F
|
F

R

G

P

P

G

G

T

A

M

L

E

D

K
x
R

L
x
M

G

G

F

F

S

T

W

W

E

E

T

Y

L

I

Q

Q

E

E

I

L

N

N

P

P

R

R

L

V

I

I

Y

L

A

A

S

S

S

V

S

K

G

G

F

Y

G

A

H

E

T

G

G

H

P

A

L

N

K

E

D

H

A

L

P

K

A
x
V

Y
|
Y

D
x
E

T

N

I

V

I

A

Q

Q

A

C

M

S

S

G

G

G

I

A

M

A

E

T

T

T

G

G

Y

F

P

W

D

D

A

G

P

P

V

T

R

V

V

S

G

G

T

A

S

A

L

L

A

G

D
|
D

L

S

C

N

G

S

G

G

V

M

Y

H

L

L

F

M

S

I

G

G

I

I

V

L

S

A

A

A

L

L

Y

E

G

I

R

R

E

H

K

K

S

T

Q

G

R

R

G

G

A

Q

H

K

V

V

D

A

I

V

A

A

M
|
M

F

Q

D

D

A

A

T

V

L

L

S

N

F

L

L

V

E

R

H

I

G

K

L

L

M

-

A

-

Y

-

I

-

A

-

T

-

G

-

K

R

S

D

P

Q

Q

Q

R

R

L

L

G

E

N

R

-

T

-

G

-

I

-

L

-

A

R

E

H

Y

P

P

Y

Q

M

A

A

Q

P

P

F

N

D

F

V

A

F

F

N

D

T

R

Q

D

D

G

K

N

P

P

I

L

T

S

I

F

-

D

-

N

-

I

-

T

-

S

-

V

-

P

-

R

-

G

-

N

-

A

-

G

-
x
G

-

Q

-

P

-

G

-

W

-

M

-

L

-

K

C

C

C

K

G

G

N

W

D

E

-

T

-

D

-

A

-

D

-

S

-

Y

-

V

-

Y

-

F

-

T

-

I

-

A

K

N

L

M

F

W

S

P

A

Q

L

I

C

C

Q

D

A

M

L

I

E

D

L

K

T

P

E

E

L

W

V

K

N

D

D

D

P

P

R

A

F

Y

S

N

S

T

N

F

I

E

L

G

R

R

V

V

Q

D

N

K

Q

L

A

M

I

D

L

I

K

F

Q

S

Y

F

I

I

E

E

R

T

T

K

L

F

-

A

-

D

-

K

-

D

K

K

T

F

Q

E

A

V

A

T

E

E

V

-

W

W

L

A

A

A

R

-

I

-

H

-

E

Q

V

Y

G

G

V

I

P

P

V

C

A

G

P

P

L

V

L

M

S

S

V

M

A

K

E

E

A

L

I

A

K

H

L

D

P

P

Q

S

T

L

Q

Q

A

K

R

V

N

G

M

T

L

V

I

V

E

E

A

V

-

V

-

D

-

E

-

I

-

R

G

G

G

N

I

H

M

L

M

T

P

V

G

G

N

A

P

P

I

F

K

K

I

F

S

S

G

G

C

F

A

-

D

Q

P

P

H

E

V

I

M

T

P

R

G

-

A

A

A

P

T

L

L

L

D

G

Q

E

H

H

G

T

E

D

Q

E

I

V

R

L

Q

K

E

E

F

L

active site: Q16 (≠ L22), E139 (≠ D144), D168 (= D173), G259 (vs. gap), G260 (vs. gap)
binding coenzyme a: H14 (= H20), V15 (= V21), Q16 (≠ L22), R37 (≠ P43), M73 (≠ L78), N95 (= N100), F96 (= F101), R103 (≠ K108), M104 (≠ L109), V137 (≠ A142), Y138 (= Y143), D168 (= D173), M199 (= M204)
binding oxalic acid: G259 (vs. gap), G260 (vs. gap)

1t3zA Formyl-coa tranferase mutant asp169 to ser (see paper)
29% identity, 97% coverage: 9:379/381 of query aligns to 3:411/427 of 1t3zA

query
sites
1t3zA

P

P

F

L

E

D

G

G

L

I

L

N

V

V

I

L

D

D

M

F

T

T

H
|
H

V
|
V

L
x
Q

N
x
A

G

G

P

P

F

A

G

C

T

T

Q

Q

L

M

C

G

N

F

M

L

G

G

A

A

R

N

V

V

I

I

K

K

V

I

E

E

P
x
R

P

R

G

G

H

S

G

G

D

D

D

M

T

T

R

R

T

G

F

W

-

L

-

Q

-

D

G

K

P

P

Y

N

V

V

D

D

G

-

Q

-

S

S

L

L

Y

Y

Y

F

S

T

F

M

I

F

N

N

H

C

G

N

K

K

E

R

S

S

V

I

V

E

L

L

D

D

L

M

K
|
K

N

T

D

P

H

E

D

G

K

K

S

E

I

L

F

L

I

E

N

Q

M

M

L

I

K

K

Q

K

A

A

D

D

V

V

L

M

A

V

E

E

N
|
N

F
|
F

R

G

P

P

G

G

T
x
A

M

L

E

D

K
x
R

L
x
M

G

G

F

F

S

T

W

W

E

E

T

Y

L

I

Q

Q

E

E

I

L

N

N

P

P

R

R

L

V

I

I

Y

L

A

A

S

S

S

V

S

K

G

G

F

Y

G

A

H

E

T

G

G

H

P

A

L

N

K

E

D

H

A

L

P
x
K

A
x
V

Y
|
Y

D
x
E

T

N

I

V

I

A

Q

Q

A

C

M

S

S

G

G

G

I

A

M

A

E

T

T

T

G

G

Y

F

P

W

D

D

A

G

P

P

V

T

R

V

V

S

G

G

T

A

S

A

L

L

A

G

D
x
S

L

S

C

N

G

S

G

G

V

M

Y

H

L

L

F

M

S

I

G

G

I

I

V

L

S

A

A

A

L

L

Y

E

G

I

R

R

E

H

K

K

S

T

Q

G

R

R

G

G

A

Q

H

K

V

V

D

A

I

V

A

A

M
|
M

F

Q

D

D

A

A

T

V

L

L

S

N

F

L

L

V

E

R

H

I

G

K

L

L

M

-

A

-

Y

-

I

-

A

-

T

-

G

-

K

R

S

D

P

Q

Q

Q

R

R

L

L

G

E

N

R

-

T

-

G

-

I

-

L

-

A

R

E

H

Y

P

P

Y

Q

M

A

A

Q

P

P

F

N

D

F

V

A

F

F

N

D

T

R

Q

D

D

G

K

N

P

P

I

L

T

S

I

F

-

D

-

N

-

I

-

T

-

S

-

V

-

P

-

R

-

G

-

N

-

A

-

G

-
x
G

-

Q

-

P

-

G

-

W

-

M

-

L

-

K

C

C

C

K

G

G

N

W

D

E

-

T

-

D

-

A

-

D

-

S

-

Y

-

V

-

Y

-

F

-

T

-

I

-

A

K

N

L

M

F

W

S

P

A

Q

L

I

C

C

Q

D

A

M

L

I

E

D

L

K

T

P

E

E

L

W

V

K

N

D

D

D

P

P

R

A

F

Y

S

N

S

T

N

F

I

E

L

G

R

R

V

V

Q

D

N

K

Q

L

A

M

I

D

L

I

K

F

Q

S

Y

F

I

I

E

E

R

T

T

K

L

F

-

A

-

D

-

K

-

D

K

K

T

F

Q

E

A

V

A

T

E

E

V

-

W

W

L

A

A

A

R

-

I

-

H

-

E

Q

V

Y

G

G

V

I

P

P

V

C

A

G

P

P

L

V

L

M

S

S

V

M

A

K

E

E

A

L

I

A

K

H

L

D

P

P

Q

S

T

L

Q

Q

A

K

R

V

N

G

M

T

L

V

I

V

E

E

A

V

-

V

-

D

-

E

-

I

-

R

G

G

G

N

I

H

M

L

M

T

P

V

G

G

N

A

P

P

I

F

K

K

I

F

S

S

G

G

C

F

A

-

D

Q

P

P

H

E

V

I

M

T

P

R

G

-

A

A

A

P

T

L

L

L

D

G

Q

E

H

H

G

T

E

D

Q

E

I

V

R

L

Q

K

E

E

F

L

active site: Q16 (≠ L22), E139 (≠ D144), S168 (≠ D173), G259 (vs. gap), G260 (vs. gap)
binding oxidized coenzyme a: H14 (= H20), V15 (= V21), A17 (≠ N23), R37 (≠ P43), K74 (= K79), N95 (= N100), F96 (= F101), A100 (≠ T105), R103 (≠ K108), M104 (≠ L109), K136 (≠ P141), V137 (≠ A142), Y138 (= Y143), E139 (≠ D144), M199 (= M204)

1pt5A Crystal structure of gene yfdw of e. Coli (see paper)
30% identity, 97% coverage: 9:379/381 of query aligns to 3:399/415 of 1pt5A

query
sites
1pt5A

P

P

F

L

E

Q

G

G

L

I

L

K

V

V

I

L

D

D

M

F

T

T

H

G

V
|
V

L
x
Q

N
x
S

G

G

P

P

F

S

G

C

T

T

Q

Q

L

M

L

L

C

A

N

W

M

F

G

G

A

A

R

D

V

V

I

I

K

K

V

I

E

E

P
x
R

P

P

G

G

H

V

G

G

D

D

D

V

T

T

R

R

-

H

T

Q

F

L

G

R

P

D

Y

I

V

P

D

D

G

I

Q

D

S

A

L

L

Y

Y

Y

F

S

T

F

M

I

L

N

N

H

S

G

N

K

K

E

R

S

S

V

I

V

E

L
|
L

D
x
N

L
x
T

K
|
K

N

T

D

A

H

E

D

G

K

K

S

E

I

V

F

M

I

E

N

K

M

L

L

I

K

R

Q

E

A

A

D

D

V

I

L

L

A

V

E

E

N
|
N

F
|
F

R
x
H

P

P

G

G

T

A

M

I

E

D

K

H

L

M

G

G

F

F

S

T

W

W

E

E

T

H

L

I

Q

Q

E

E

I

I

N

N

P

P

R

R

L

L

I

I

Y

F

A

G

S

S

S

I

S
x
K

G

G

F

F

G

D

H

E

T

C

G

S

P

P

L

Y

K

V

D

N

A

V

P
x
K

A
|
A

Y
|
Y

D
x
E

T

N

I

V

I

A

Q

Q

A

A

M

A

S

G

G

G

I

A

M

A

M

S

E

T

T

T

G

G

Y

F

P

W

D

D

A

G

P

P

V

L

R

V

V

S

G

A

T

A

S

A

L

L

A

G

D
|
D

L

S

C

N

G

T

G

G

V

M

Y

H

L

L

F

L

S

I

G

G

I

L

V

L

S

A

A

A

L

L

Y

L

G

H

R

R

E

E

K

K

S

T

Q

G

R

R

G

G

A

Q

H

R

V

V

D

T

I

M

A

S

M
|
M

F

Q

D

D

A

A

T

V

L

L

S

N

F

L

L

C

E

R

H

V

G

K

L

L

-

R

-

D

-

Q

-

R

-

L

-

D

-

K

M

L

A

G

Y

Y

I

L

A

E

T

-

G

-

K

E

S

Y

P

P

Q

Q

-

Y

-

P

-

N

-

G

R

T

L

F

G

G

N

D

R

A

H

V

P

P

-

R

-

G

-

N

-

A

-

G

-
x
G

-

Q

-

P

-

G

Y

W

M

I

A

L

P

K

F

C

D

K

V

G

F

W

N

E

T

T

Q

D

D

P

K

N

P

A

I

Y

T

I

I

Y

C

F

C

T

G

I

N

Q

D

E

K

Q

L

N

F

W

S

E

A

N

L

T

C

C

Q

K

A

A

L

I

E

G

L

K

T

P

E

E

L

W

V

I

N

T

D

D

P

P

R

A

F

Y

S

S

S

T

N

A

I

H

L

A

R

R

V

Q

Q

P

N

H

Q

I

A

F

I

D

L

I

K

F

Q

A

Y

E

I

I

E

E

R

K

T

Y

L

T

K

V

T

T

Q

I

A

D

A

K

E

H

V

E

W

A

L

V

A

A

R

Y

I

L

H

T

E

Q

V

F

G

D

V

I

P

P

V

C

A

A

P

P

L

V

L

L

S

S

V

M

A

K

E

E

A

I

I

S

K

L

L

D

P

P

Q

S

T

L

Q

R

A

Q

R

S

N

G

M

S

L

V

I

V

E

E

A

V

-

E

-

Q

-

P

-

L

-

R

G

G

G

K

I

Y

M

L

M

T

P

V

G

G

N

C

P

P

I

M

K

K

I

F

S

S

G

A

C

F

A

T

D

-

P

P

H

D

V

I

M

K

P

-

G

A

A

A

A

P

T

L

L

L

D

G

Q

E

H

H

G

T

E

A

Q

A

I

V

R

L

Q

Q

E

E

F

L

active site: Q16 (≠ L22), E139 (≠ D144), D168 (= D173), G247 (vs. gap), G248 (vs. gap)
binding acetyl coenzyme *a: V15 (= V21), S17 (≠ N23), R37 (≠ P43), L71 (= L76), N72 (≠ D77), T73 (≠ L78), K74 (= K79), N95 (= N100), F96 (= F101), H97 (≠ R102), K124 (≠ S129), K136 (≠ P141), A137 (= A142), Y138 (= Y143), E139 (≠ D144), D168 (= D173), M199 (= M204)

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)
30% identity, 97% coverage: 9:379/381 of query aligns to 4:400/416 of P69902

query
sites
P69902

P

P

F

L

E

Q

G

G

L

I

L

K

V

V

I

L

D

D

M

F

T

T

H

G

V

V

L

Q

N

S

G

G

P

P

F

S

G

C

T

T

Q

Q

L

M

L

L

C

A

N

W

M

F

G

G

A

A

R

D

V

V

I

I

K

K

V

I

E

E

P
x
R

P

P

G

G

H

V

G

G

D

D

D

V

T

T

R

R

-

H

T

Q

F

L

G

R

P

D

Y

I

V

P

D

D

G

I

Q

D

S

A

L

L

Y

Y

Y

F

S

T

F

M

I

L

N

N

H

S

G

N

K

K

E

R

S

S

V

I

V

E

L

L

D

N

L

T

K

K

N

T

D

A

H

E

D

G

K

K

S

E

I

V

F

M

I

E

N

K

M

L

L

I

K

R

Q

E

A

A

D

D

V

I

L

L

A

V

E

E

N

N

F

F

R

H

P

P

G

G

T

A

M

I

E

D

K

H

L

M

G

G

F

F

S

T

W

W

E

E

T

H

L

I

Q

Q

E

E

I

I

N

N

P

P

R

R

L

L

I

I

Y

F

A

G

S

S

S

I

S

K

G

G

F

F

G

D

H

E

T

C

G

S

P

P

L

Y

K

V

D

N

A

V

P

K

A

A

Y

Y

D

E

T

N

I

V

I

A

Q

Q

A

A

M

A

S

G

G

G

I

A

M

A

M

S

E

T

T

T

G

G

Y

F

P

W

D

D

A

G

P

P

V

L

R

V

V

S

G

A

T

A

S

A

L

L

A

G

D

D

L

S

C

N

G

T

G

G

V

M

Y

H

L

L

F

L

S

I

G

G

I

L

V

L

S

A

A

A

L

L

Y

L

G

H

R

R

E

E

K

K

S

T

Q

G

R

R

G

G

A

Q

H

R

V

V

D

T

I

M

A

S

M

M

F

Q

D

D

A

A

T

V

L

L

S

N

F

L

L

C

E

R

H

V

G

K

L

L

-

R

-

D

-

Q

-

R

-

L

-

D

-

K

M

L

A

G

Y

Y

I

L

A

E

T

-

G

-

K

E

S

Y

P

P

Q

Q

-

Y

-

P

-

N

-

G

R

T

L

F

G

G

N

D

R

A

H

V

P

P

-

R

-

G

-

N

-

A

-

G

-

Q

-

P

-

G

Y

W

M

I

A

L

P

K

F

C

D

K

V

G

F

W

N

E

T

T

Q

D

D

P

K

N

P

A

I

Y

T

I

I

Y

C

F

C

T

G

I

N

Q

D

E

K

Q

L

N

F

W

S

E

A

N

L

T

C

C

Q

K

A

A

L

I

E

G

L

K

T

P

E

E

L

W

V

I

N

T

D

D

P

P

R

A

F

Y

S

S

S

T

N

A

I

H

L

A

R

R

V

Q

Q

P

N

H

Q

I

A

F

I

D

L

I

K

F

Q

A

Y

E

I

I

E

E

R

K

T

Y

L

T

K

V

T

T

Q

I

A

D

A

K

E

H

V

E

W

A

L

V

A

A

R

Y

I

L

H

T

E

Q

V

F

G

D

V

I

P

P

V

C

A

A

P

P

L

V

L

L

S

S

V

M

A

K

E

E

A

I

I

S

K

L

L

D

P

P

Q

S

T

L

Q

R

A

Q

R

S

N

G

M

S

L

V

I

V

E

E

A

V

-

E

-

Q

-

P

-

L

-

R

G

G

G

K

I

Y

M

L

M

T

P

V

G

G

N

C

P

P

I

M

K

K

I

F

S

S

G

A

C

F

A

T

D

-

P

P

H

D

V

I

M

K

P

-

G

A

A

A

A

P

T

L

L

L

D

G

Q

E

H

H

G

T

E

A

Q

A

I

V

R

L

Q

Q

E

E

F

L

R38 (≠ P43) binding CoA

1q6yA Hypothetical protein yfdw from e. Coli bound to coenzyme a (see paper)
30% identity, 97% coverage: 9:379/381 of query aligns to 4:400/417 of 1q6yA

query
sites
1q6yA

P

P

F

L

E

Q

G

G

L

I

L

K

V

V

I

L

D

D

M

F

T

T

H

G

V
|
V

L
x
Q

N
x
S

G

G

P

P

F

S

G

C

T

T

Q

Q

L

M

L

L

C

A

N

W

M

F

G

G

A

A

R

D

V

V

I

I

K

K

V

I

E

E

P
x
R

P

P

G

G

H

V

G

G

D

D

D

V

T

T

R

R

-

H

T

Q

F

L

G

R

P

D

Y

I

V

P

D

D

G

I

Q

D

S

A

L

L

Y

Y

Y

F

S

T

F

M

I

L

N

N

H

S

G

N

K

K

E

R

S

S

V

I

V

E

L
|
L

D
x
N

L
x
T

K
|
K

N

T

D

A

H

E

D

G

K

K

S

E

I

V

F

M

I

E

N

K

M

L

L

I

K

R

Q

E

A

A

D

D

V

I

L

L

A

V

E

E

N
|
N

F
|
F

R
x
H

P

P

G

G

T

A

M

I

E

D

K

H

L
x
M

G

G

F

F

S

T

W

W

E

E

T

H

L

I

Q

Q

E

E

I

I

N

N

P

P

R

R

L

L

I

I

Y

F

A

G

S

S

S
x
I

S

K

G

G

F

F

G

D

H

E

T

C

G

S

P

P

L

Y

K

V

D

N

A

V

P
x
K

A
|
A

Y
|
Y

D
x
E

T

N

I

V

I

A

Q

Q

A

A

M

A

S

G

G

G

I

A

M

A

M

S

E

T

T

T

G

G

Y

F

P

W

D

D

A

G

P

P

V

L

R

V

V

S

G

A

T

A

S

A

L

L

A

G

D
|
D

L

S

C

N

G

T

G

G

V

M

Y

H

L

L

F

L

S

I

G

G

I

L

V

L

S

A

A

A

L

L

Y

L

G

H

R

R

E

E

K

K

S

T

Q

G

R

R

G

G

A

Q

H

R

V

V

D

T

I

M

A

S

M
|
M

F

Q

D

D

A

A

T

V

L

L

S

N

F

L

L

C

E

R

H

V

G

K

L

L

-

R

-

D

-

Q

-

R

-

L

-

D

-

K

M

L

A

G

Y

Y

I

L

A

E

T

-

G

-

K

E

S

Y

P

P

Q

Q

-

Y

-

P

-

N

-

G

R

T

L

F

G

G

N

D

R

A

H

V

P

P

-

R

-

G

-

N

-

A

-

G

-
x
G

-

Q

-

P

-

G

Y

W

M

I

A

L

P

K

F

C

D

K

V

G

F

W

N

E

T

T

Q

D

D

P

K

N

P

A

I

Y

T

I

I

Y

C

F

C

T

G

I

N

Q

D

E

K

Q

L

N

F

W

S

E

A

N

L

T

C

C

Q

K

A

A

L

I

E

G

L

K

T

P

E

E

L

W

V

I

N

T

D

D

P

P

R

A

F

Y

S

S

S

T

N

A

I

H

L

A

R

R

V

Q

Q

P

N

H

Q

I

A

F

I

D

L

I

K

F

Q

A

Y

E

I

I

E

E

R

K

T

Y

L

T

K

V

T

T

Q

I

A

D

A

K

E

H

V

E

W

A

L

V

A

A

R

Y

I

L

H

T

E

Q

V

F

G

D

V

I

P

P

V

C

A

A

P

P

L

V

L

L

S

S

V

M

A

K

E

E

A

I

I

S

K

L

L

D

P

P

Q

S

T

L

Q

R

A

Q

R

S

N

G

M

S

L

V

I

V

E

E

A

V

-

E

-

Q

-

P

-

L

-

R

G

G

G

K

I

Y

M

L

M

T

P

V

G

G

N

C

P

P

I

M

K

K

I

F

S

S

G

A

C

F

A

T

D

-

P

P

H

D

V

I

M

K

P

-

G

A

A

A

A

P

T

L

L

L

D

G

Q

E

H

H

G

T

E

A

Q

A

I

V

R

L

Q

Q

E

E

F

L

active site: Q17 (≠ L22), E140 (≠ D144), D169 (= D173), G248 (vs. gap), G249 (vs. gap)
binding coenzyme a: V16 (= V21), Q17 (≠ L22), S18 (≠ N23), R38 (≠ P43), L72 (= L76), N73 (≠ D77), T74 (≠ L78), K75 (= K79), N96 (= N100), F97 (= F101), H98 (≠ R102), M105 (≠ L109), I124 (≠ S128), K137 (≠ P141), A138 (= A142), Y139 (= Y143), D169 (= D173), M200 (= M204)

1q7eA Crystal structure of yfdw protein from e. Coli (see paper)
29% identity, 97% coverage: 9:379/381 of query aligns to 4:393/410 of 1q7eA

query
sites
1q7eA

P

P

F

L

E

Q

G

G

L

I

L

K

V

V

I

L

D

D

M

F

T

T

H

G

V

V

L
x
Q

N

S

G

G

P

P

F

S

G

C

T

T

Q

Q

L

M

L

L

C

A

N

W

M

F

G

G

A

A

R

D

V

V

I

I

K

K

V

I

E

E

P

R

P

P

G

G

H

V

G

G

D

D

D

V

T

T

R

R

-

H

T

Q

F

L

G

R

P

D

Y

I

V

P

D

D

G

I

Q

D

S

A

L

L

Y

Y

Y

F

S

T

F

M

I

L

N

N

H

S

G

N

K

K

E

R

S

S

V

I

V

E

L

L

D

N

L

T

K

K

N

T

D

A

H

E

D

G

K

K

S

E

I

V

F

M

I

E

N

K

M

L

L

I

K

R

Q

E

A

A

D

D

V

I

L

L

A

V

E

E

N
|
N

F
|
F

R
x
H

P
|
P

G

-

T

-

M

-

E

-

K

-

L

-

G

-

F

F

S

T

W

W

E

E

T

H

L

I

Q

Q

E

E

I

I

N

N

P

P

R

R

L

L

I

I

Y

F

A

G

S

S

S

I

S
x
K

G

G

F

F

G

D

H

E

T

C

G

S

P

P

L

Y

K

V

D

N

A

V

P
x
K

A
|
A

Y

Y

D
x
E

T

N

I

V

I

A

Q

Q

A

A

M

A

S

G

G

G

I

A

M

A

M

S

E

T

T

T

G

G

Y

F

P

W

D

D

A

G

P

P

V

L

R

V

V

S

G

A

T

A

S

A

L

L

A

G

D
|
D

L

S

C

N

G

T

G

G

V

M

Y

H

L

L

F

L

S

I

G

G

I

L

V

L

S

A

A

A

L

L

Y

L

G

H

R

R

E

E

K

K

S

T

Q

G

R

R

G

G

A

Q

H

R

V

V

D

T

I

M

A

S

M

M

F

Q

D

D

A

A

T

V

L

L

S

N

F

L

L

C

E

R

H

V

G

K

L

L

-

R

-

D

-

Q

-

R

-

L

-

D

-

K

M

L

A

G

Y

Y

I

L

A

E

T

-

G

-

K

E

S

Y

P

P

Q

Q

-

Y

-

P

-

N

-

G

R

T

L

F

G

G

N

D

R

A

H

V

P

P

-

R

-

G

-

N

-

A

-

G

-
x
G

-

Q

-

P

-

G

Y
x
W

M

I

A

L

P

K

F

C

D

K

V

G

F

W

N

E

T

T

Q

D

D

P

K

N

P

A

I

Y

T

I

I

Y

C

F

C

T

G

I

N

Q

D

E

K

Q

L

N

F

W

S

E

A

N

L

T

C

C

Q

K

A

A

L

I

E

G

L

K

T

P

E

E

L

W

V

I

N

T

D

D

P

P

R

A

F

Y

S

S

S

T

N

A

I

H

L

A

R

R

V

Q

Q

P

N

H

Q

I

A
x
F

I

D

L

I

K

F

Q
x
A

Y

E

I

I

E
|
E

R

K

T

Y

L

T

K

V

T

T

Q

I

A

D

A

K

E

H

V

E

W

A

L

V

A

A

R

Y

I

L

H

T

E

Q

V

F

G

D

V

I

P

P

V

C

A

A

P

P

L

V

L

L

S

S

V

M

A

K

E

E

A

I

I

S

K

L

L

D

P

P

Q

S

T

L

Q

R

A

Q

R

S

N

G

M

S

L

V

I

V

E

E

A

V

-

E

-

Q

-

P

-

L

-

R

G

G

G

K

I

Y

M

L

M

T

P

V

G

G

N

C

P

P

I

M

K

K

I

F

S

S

G

A

C

F

A

T

D

-

P

P

H

D

V

I

M

K

P

-

G

A

A

A

A

P

T

L

L

L

D

G

Q

E

H

H

G

T

E

A

Q

A

I

V

R

L

Q

Q

E

E

F

L

active site: Q17 (≠ L22), E133 (≠ D144), D162 (= D173), G241 (vs. gap), G242 (vs. gap)
binding methionine: N96 (= N100), F97 (= F101), H98 (≠ R102), P99 (= P103), K118 (≠ S129), K130 (≠ P141), A131 (= A142), W246 (≠ Y235), F299 (≠ A288), A303 (≠ Q292), E306 (= E295)

5yx6A Crystal structure of rv3272 from m. Tuberculosis orthorhombic form (see paper)
30% identity, 91% coverage: 9:354/381 of query aligns to 5:339/360 of 5yx6A

query
sites
5yx6A

P

P

F

L

E

D

G

G

L

F

L

R

V

V

I

L

D

D

M

F

T

T

H

Q

V

N

L
x
V

N

A

G

G

P

P

F

L

G

A

T

G

Q

Q

L

V

L

L

C

V

N

D

M

L

G

G

A

A

R

E

V

V

I

I

K

K

V

V

E

E

P

A

P

P

G

G

H

-

G

G

D

E

D

A

T

A

R

R

T

Q

F

I

G

T

P

S

Y

V

V

L

D

P

G

G

Q

R

-

P

-

L

S

A

L

T

Y

Y

Y

F

S

L

F

P

I

N

N

N

H

R

G

G

K

K

E

K

S

S

V

V

V

T

L

V

D

D

L

L

K

T

N

T

D

E

H

Q

D

A

K

K

S

Q

I

Q

F

M

I

L

N

R

M

L

L

A

K

D

Q

T

A

A

D

D

V

V

L

V

A

L

E

E

N
x
A

F

F

R

R

P

P

G

G

T

T

M

M

E

E

K

K

L

L

G

G

F

L

S

G

W

P

E

D

T

D

L

L

Q

R

E

S

I

R

N

N

P

P

R

N

L

L

I

I

Y

Y

A

A

S

R

S

L

S

T

G

A

F

Y

G

G

H

G

T

N

G

G

P

P

L

H

K

G

D

S

A

R

P
|
P

A

G

Y

I

D
|
D

T

L

I

V

Q

A

A

A

M

E

S

A

G

G

I

M

M

T

E

G

T

M

G

P

Y

T

P

P

D

E

A

G

P

K

P

P

V

Q

R

I

V

I

G

P

T

F

S

Q

L

L

A

V

D
|
D

L

N

C

A

G

S

G

G

V

H

Y

V

L

L

F

A

S

Q

G

A

I

V

V

L

S

A

A

A

L

L

Y

L

G

H

R

R

E

E

K

R

S

N

Q

G

R

V

G

A

A

D

H

V

V

V

D

Q

I

V

A

A

M

M

F

Y

D

D

A

V

T

A

L

V

S

G

F

L

L

Q

E

A

H

N

G

Q

L

L

M

M

A

M

Y

H

I

L

A

-

T

-

G

-

K

-

S

-

P

-

Q

-

R

-

L

-

G

-

N

N

R

R

H

-

P

-

Y

-

M
x
T

A

Q

P

P

F

S

D

D

V

A

F

F

N

R

T

T

Q

A

D

D

K

G

P

Y

I

I

T

V

I

I

C

S

C

A

G

Y

N

V

D

P

K

K

L

H

F

W

S

Q

A

K

L

L

C

C

Q

Y

A

L

L

I

E

G

L

R

T

P

E

D

L

L

V

V

N

E

D

D

P

Q

R

R

F

F

S

A

S

E

N

Q

I

R

L

S

R

R

V

S

Q

I

N

N

Q

Y

A

A

I

E

L

L

K

T

Q

A

Y

E

I

L

E

E

R

L

T

A

L

L

K

A

T

S

Q

K

A

T

A

A

E

T

V

E

W

W

L

V

A

Q

R

L

I

L

H

Q

E

A

V

N

G

G

V

L

P

M

V

A

A

C

P

L

L

A

L

H

S

T

V

W

A

K

E

Q

A

V

I

V

K

D

L

T

P

P

Q

L

T

F

Q

A

A

E

R

N

N

D

M

L

L

T

I

L

E

E

A

V

G

G

G

T

I

I

M

T

M

V

P

I

G

R

N

T

P

P

I

A

K

R

I

Y

S

A

active site: V18 (≠ L22), D142 (= D144), D171 (= D173), T221 (≠ M236)
binding glycerol: A98 (≠ N100), P139 (= P141)

O06543 Alpha-methylacyl-CoA racemase; AMACR; MtMCR; EC 5.1.99.4 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 3 papers)
28% identity, 95% coverage: 8:369/381 of query aligns to 3:350/360 of O06543

query
sites
O06543

G

G

P

P

F

L

E

S

G

G

L

L

L

R

V

V

I

V

D

E

M

L

T

A

H

G

V

I

L

G

N

P

G

G

P

P

F

H

G

A

T

A

Q

M

L

I

L

L

C

G

N

D

M

L

G

G

A

A

R

D

V

V

I

V

K

R

V

I

E

D

P
x
R

P

P

G

S

H

S

G

-

D

-

T

-

R

-

T

-

F

-

G

-

P

-

Y

-

V

V

D

D

G

G

Q

I

S

S

L

R

Y

D

Y

A

S

M

F

L

I
x
R

N

N

H

-

G

-

K

R

E

R

S
x
I

V

V

V

T

L
x
A

D
|
D

L
|
L

K
|
K

N

S

D

D

H

Q

D

G

K

L

S

E

I

L

F

A

I

L

N

K

M

L

L

I

K

A

Q

K

A

A

D

D

V

V

L

L

A

I

E
|
E

N
x
G

F
x
Y

R
|
R

P

P

G

G

T

V

M

T

E

E

K
x
R

L

L

G

G

F

L

S

G

W

P

E

E

T

E

L

C

Q

A

E

K

I

V

N

N

P

D

R

R

L

L

I

I

Y

Y

A

A

S

R

S
x
M

S

T

G

G

F

W

G

G

H

Q

T

T

G

G

P

P

L

R

K

S

D

Q

A

Q

P

A

A
x
G

Y
x
H

D
|
D

T
x
I

I
x
N

I
x
Y

Q

I

A

S

M

L

S

N

G

G

I

I

M

L

M

H

E

A

T

I

G

G

Y

R

P

G

D

D

A

E

P

R

P

P

V

V

R

P

V

P

G

L

T

N

S

L

L

V

A

G

D
|
D

L

F

C

G

G

G

-

S

V

M

Y

F

L

L

F

L

S

V

G

G

I

I

V

L

S

A

A

A

L

L

Y

W

G

E

R

R

E

Q

K

S

S

S

Q

G

R

K

G

G

A

Q

H

V

V

V

D

D

I

A

A

A

M

M

F

V

D
|
D

A

G

T

S

L

-

S

S

F

V

L

L

E

I

H

Q

G

M

L

M

M

W

A

A

Y

M

I

R

A

A

T

T

G

G

-

M

-

W

-

T

-

D

-

T

K

R

S

G

P

A

Q

N

R

M

L

L

G

D

N

G

R

G

H

A

P

P

Y

Y

M

-

A

-

P

-

F

Y

D

D

V

T

F

Y

N

E

T

C

Q

A

D

D

-

G

K

R

P

Y

I

V

T

A

I

V

C

G

C

A

G

I

N
x
E

D

P

K

Q

L

F

F

Y

S

A

A

A

L

M

C

L

Q

A

A

G

L

L

E

G

L

L

T

D

E

A

L

A

V

E

N

L

D

P

P

P

R

Q

F

N

S

D

S

R

N

-

I

-

L

-

R

-

V

-

Q

A

N

R

Q

W

A

P

I

E

L

L

K

R

Q

A

Y

L

I

L

E

T

R

E

T

A

L

F

K

A

T

S

Q

H

A

D

A

R

E

D

V

H

W

W

L

G

A

A

R

V

I

F

H

A

E

N

V

S

G

D

V

A

P
x
C

V

V

A

T

P

P

L

V

L

L

S

A

V

F

A

G

E

E

A

V

I

H

K

N

L

E

P

P

Q
x
H

T

I

Q

I

A

E

R

R

N

N

M

T

L

F

I

Y

E

E

A

A

G

N

G

G

I

G

M

W

M

Q

P

P

G

M

N

P

P

A

I

P

K

R

I

F

S

S

G

R

C

T

A

A

D

S

P

S

H

Q

V

P

M

R

P

P

G

P

A

A

T

T

L

I

D

D

R38 (≠ P43) binding substrate
R52 (≠ I67) mutation to A: 15.7% of wild-type activity.
I56 (≠ S73) mutation to P: 28.8% of wild-type activity.
ADLK 59:62 (≠ LDLK 76:79) binding substrate
E82 (= E99) mutation to A: 12.5% of wild-type activity.
GYR 83:85 (≠ NFR 100:102) binding substrate
R91 (≠ K108) binding substrate; mutation to A: 19.9% of wild-type activity.
M111 (≠ S128) mutation to P: 5.2% of wild-type activity.
GHDINY 125:130 (≠ AYDTII 142:147) binding substrate
H126 (≠ Y143) mutation to A: 4.5% of wild-type activity.
D156 (= D173) mutation to A: 17.6 of wild-type activity.
D190 (= D206) mutation to A: 3.3% of wild-type activity.
E241 (≠ N255) 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)
27% identity, 95% coverage: 8:369/381 of query aligns to 2:345/355 of 2yimA

query
sites
2yimA

G

G

P

P

F

L

E

S

G

G

L

L

L

R

V

V

I

V

D

E

M

L

T

A

H

G

V
x
I

L
x
G

N

P

G

G

P

P

F

H

G

A

T

A

Q

M

L

I

L

L

C

G

N

D

M

L

G

G

A

A

R

D

V

V

I

V

K

R

V

I

E

D

P
x
R

P

P

G

-

H

-

G

-

D

-

T

-

R

-

T

-

F

-

G

-

P

-

Y

-

V

-

D

-

G

-

Q

-

S

S

L

I

Y

S

Y

R

S

D

F

A

I

M

N

L

H

R

G

N

K

R

E

R

S

I

V

V

V

T

L
x
A

D

D

L
|
L

K
|
K

N

S

D

D

H

Q

D

G

K

L

S

E

I

L

F

A

I

L

N

K

M

L

L

I

K

A

Q

K

A

A

D

D

V

V

L

L

A

I

E

E

N
x
G

F
x
Y

R
|
R

P

P

G

G

T
x
V

M

T

E

E

K
x
R

L
|
L

G

G

F

L

S

G

W

P

E

E

T

E

L

C

Q

A

E

K

I

V

N

N

P

D

R

R

L

L

I

I

Y

Y

A

A

S

R

S

M

S

T

G

G

F

W

G

G

H

Q

T

T

G

G

P

P

L

R

K

S

D

Q

A

Q

P
x
A

A
x
G

Y
x
H

D
|
D

T

I

I

N

I
x
Y

Q

I

A

S

M

L

S

N

G

G

I

I

M

L

M

H

E

A

T

I

G

G

Y

R

P

G

D

D

A

E

P

R

P

P

V

V

R

P

V

P

G

L

T

N

S

L

L

V

A

G

D
|
D

L

F

C

G

G

G

-

S

V

M

Y

F

L

L

F

L

S

V

G

G

I

I

V

L

S

A

A

A

L

L

Y

W

G

E

R

R

E

Q

K

S

S

S

Q

G

R

K

G

G

A

Q

H

V

V

V

D

D

I

A

A

A

M

M

F

V

D

D

A

G

T

S

L

-

S

S

F

V

L

L

E

I

H

Q

G

M

L

M

M

W

A

A

Y

M

I

R

A

A

T

T

G

G

-

M

-

W

-

T

-

D

-

T

K

R

S

G

P

A

Q

N

R

M

L

L

G

D

N
x
G

R
x
G

H

A

P

P

Y

Y

M

-

A

-

P

-

F

Y

D

D

V

T

F

Y

N

E

T

C

Q

A

D

D

-

G

K

R

P

Y

I

V

T

A

I

V

C

G

C

A

G

I

N

E

D

P

K

Q

L

F

F

Y

S

A

A

A

L

M

C

L

Q

A

A

G

L

L

E

G

L

L

T

D

E

A

L

A

V

E

N

L

D

P

P

P

R

Q

F

N

S

D

S

R

N

-

I

-

L

-

R

-

V

-

Q

A

N

R

Q

W

A

P

I

E

L

L

K

R

Q

A

Y

L

I

L

E

T

R

E

T

A

L

F

K

A

T

S

Q

H

A

D

A

R

E

D

V

H

W

W

L

G

A

A

R

V

I

F

H

A

E

N

V

S

G

D

V

A

P

C

V

V

A

T

P

P

L

V

L

L

S

A

V

F

A

G

E

E

A

V

I

H

K

N

L

E

P

P

Q

H

T

I

Q

I

A

E

R

R

N

N

M

T

L

F

I

Y

E

E

A

A

G

N

G

G

I

G

M

W

M

Q

P

P

G

M

N

P

P

A

I

P

K

R

I

F

S

S

G

R

C

T

A

A

D

S

P

S

H

Q

V

P

M

R

P

P

G

P

A

A

T

T

L

I

D

D

active site: G16 (≠ L22), D122 (= D144), D151 (= D173), G214 (≠ N231), G215 (≠ R232)
binding 2-methylacetoacetyl coa: I15 (≠ V21), R37 (≠ P43), A54 (≠ L76), L56 (= L78), K57 (= K79), G78 (≠ N100), Y79 (≠ F101), R80 (= R102), V83 (≠ T105), R86 (≠ K108), L87 (= L109), A119 (≠ P141), G120 (≠ A142), H121 (≠ Y143), Y125 (≠ I147), D151 (= D173)

2gd6A The 1,1-proton transfer reaction mechanism by alpha-methylacyl-coa racemase is catalyzed by an aspartate/histidine pair and involves a smooth, methionine-rich surface for binding the fatty acyl moiety (see paper)
27% identity, 95% coverage: 8:369/381 of query aligns to 2:344/354 of 2gd6A

query
sites
2gd6A

G

G

P

P

F

L

E

S

G

G

L

L

L

R

V

V

I

V

D

E

M

L

T

A

H

G

V
x
I

L
x
G

N

P

G

G

P

P

F

H

G

A

T

A

Q

M

L

I

L

L

C

G

N

D

M

L

G

G

A

A

R

D

V

V

I

V

K

R

V

I

E

D

P
x
R

P

P

G

-

H

-

G

-

D

-

T

-

R

-

T

-

F

-

G

-

P

-

Y

-

V

-

D

-

G

-

Q

-

S

-

L

I

Y

S

Y

R

S

D

F

A

I

M

N

L

H

R

G

N

K

R

E

R

S

I

V

V

V

T

L
x
A

D
|
D

L
|
L

K
|
K

N

S

D

D

H

Q

D

G

K

L

S

E

I

L

F

A

I

L

N

K

M

L

L

I

K

A

Q

K

A

A

D

D

V

V

L

L

A

I

E

E

N
x
G

F
x
Y

R
|
R

P

P

G

G

T
x
V

M

T

E

E

K
x
R

L

L

G

G

F

L

S

G

W

P

E

E

T

E

L

C

Q

A

E

K

I

V

N

N

P

D

R

R

L

L

I

I

Y

Y

A

A

S

R

S

M

S

T

G

G

F

W

G

G

H

Q

T

T

G

G

P

P

L

R

K

S

D

Q

A

Q

P

A

A
x
G

Y
x
H

D
|
D

T

I

I

N

I
x
Y

Q

I

A

S

M

L

S

N

G

G

I

I

M

L

M

H

E

A

T

I

G

G

Y

R

P

G

D

D

A

E

P

R

P

P

V

V

R

P

V

P

G

L

T

N

S

L

L

V

A

G

D
|
D

L

F

C

G

G

G

-

S

V

M

Y

F

L

L

F

L

S

V

G

G

I

I

V

L

S

A

A

A

L

L

Y

W

G

E

R

R

E

Q

K

S

S

S

Q

G

R

K

G

G

A

Q

H

V

V

V

D

D

I

A

A

A

M
|
M

F

V

D

D

A

G

T

S

L

-

S

S

F

V

L

L

E

I

H

Q

G

M

L

M

M

W

A

A

Y

M

I

R

A

A

T

T

G

G

-

M

-

W

-

T

-

D

-

T

K

R

S

G

P

A

Q

N

R

M

L

L

G

D

N
x
G

R
x
G

H

A

P

P

Y

Y

M

-

A

-

P

-

F

Y

D

D

V

T

F

Y

N

E

T

C

Q

A

D

D

-

G

K

R

P

Y

I

V

T

A

I

V

C

G

C

A

G

I

N

E

D

P

K

Q

L

F

F

Y

S

A

A

A

L

M

C

L

Q

A

A

G

L

L

E

G

L

L

T

D

E

A

L

A

V

E

N

L

D

P

P

P

R

Q

F

N

S

D

S

R

N

-

I

-

L

-

R

-

V

-

Q

A

N

R

Q

W

A

P

I

E

L

L

K

R

Q

A

Y

L

I

L

E

T

R

E

T

A

L

F

K

A

T

S

Q

H

A

D

A

R

E

D

V

H

W

W

L

G

A

A

R

V

I

F

H

A

E

N

V

S

G

D

V

A

P

C

V

V

A

T

P

P

L

V

L

L

S

A

V

F

A

G

E

E

A

V

I

H

K

N

L

E

P

P

Q

H

T

I

Q

I

A

E

R

R

N

N

M

T

L

F

I

Y

E

E

A

A

G

N

G

G

I

G

M

W

M

Q

P

P

G

M

N

P

P

A

I

P

K

R

I

F

S

S

G

R

C

T

A

A

D

S

P

S

H

Q

V

P

M

R

P

P

G

P

A

A

T

T

L

I

D

D

active site: G16 (≠ L22), D121 (= D144), D150 (= D173), G213 (≠ N231), G214 (≠ R232)
binding acetyl coenzyme *a: I15 (≠ V21), R37 (≠ P43), A53 (≠ L76), D54 (= D77), L55 (= L78), K56 (= K79), G77 (≠ N100), Y78 (≠ F101), R79 (= R102), V82 (≠ T105), R85 (≠ K108), G119 (≠ A142), H120 (≠ Y143), Y124 (≠ I147), D150 (= D173), M182 (= M204)

2gd2A The 1,1-proton transfer reaction mechanism by alpha-methylacyl-coa racemase is catalyzed by an aspartate/histidine pair and involves a smooth, methionine-rich surface for binding the fatty acyl moiety (see paper)
27% identity, 95% coverage: 8:369/381 of query aligns to 2:344/354 of 2gd2A

query
sites
2gd2A

G

G

P

P

F

L

E

S

G

G

L

L

L

R

V

V

I

V

D

E

M

L

T

A

H

G

V
x
I

L
x
G

N

P

G

G

P

P

F

H

G

A

T

A

Q

M

L

I

L

L

C

G

N

D

M

L

G

G

A

A

R

D

V

V

I

V

K

R

V

I

E

D

P
x
R

P

P

G

-

H

-

G

-

D

-

T

-

R

-

T

-

F

-

G

-

P

-

Y

-

V

-

D

-

G

-

Q

-

S

-

L

I

Y

S

Y

R

S

D

F

A

I

M

N

L

H

R

G

N

K

R

E

R

S

I

V

V

V

T

L
x
A

D

D

L
|
L

K
|
K

N

S

D

D

H

Q

D

G

K

L

S

E

I

L

F

A

I

L

N

K

M

L

L

I

K

A

Q

K

A

A

D

D

V

V

L

L

A

I

E

E

N
x
G

F
x
Y

R
|
R

P

P

G

G

T
x
V

M

T

E

E

K
x
R

L
|
L

G

G

F

L

S

G

W

P

E

E

T

E

L

C

Q

A

E

K

I

V

N

N

P

D

R

R

L

L

I

I

Y

Y

A

A

S

R

S

M

S

T

G

G

F

W

G

G

H

Q

T

T

G

G

P

P

L

R

K

S

D

Q

A

Q

P
x
A

A
x
G

Y
x
H

D
|
D

T

I

I

N

I
x
Y

Q

I

A

S

M

L

S

N

G

G

I

I

M

L

M

H

E

A

T

I

G

G

Y

R

P

G

D

D

A

E

P

R

P

P

V

V

R

P

V

P

G

L

T

N

S

L

L

V

A

G

D
|
D

L

F

C

G

G

G

-

S

V

M

Y

F

L

L

F

L

S

V

G

G

I

I

V

L

S

A

A

A

L

L

Y

W

G

E

R

R

E

Q

K

S

S

S

Q

G

R

K

G

G

A

Q

H

V

V

V

D

D

I

A

A

A

M

M

F

V

D

D

A

G

T

S

L

-

S

S

F

V

L

L

E

I

H

Q

G

M

L

M

M

W

A

A

Y

M

I

R

A

A

T

T

G

G

-

M

-

W

-

T

-

D

-

T

K

R

S

G

P

A

Q

N

R

M

L

L

G

D

N
x
G

R
x
G

H

A

P

P

Y

Y

M

-

A

-

P

-

F

Y

D

D

V

T

F

Y

N

E

T

C

Q

A

D

D

-

G

K

R

P

Y

I

V

T

A

I

V

C

G

C

A

G

I

N

E

D

P

K

Q

L

F

F

Y

S

A

A

A

L

M

C

L

Q

A

A

G

L

L

E

G

L

L

T

D

E

A

L

A

V

E

N

L

D

P

P

P

R

Q

F

N

S

D

S

R

N

-

I

-

L

-

R

-

V

-

Q

A

N

R

Q

W

A

P

I

E

L

L

K

R

Q

A

Y

L

I

L

E

T

R

E

T

A

L

F

K

A

T

S

Q

H

A

D

A

R

E

D

V

H

W

W

L

G

A

A

R

V

I

F

H

A

E

N

V

S

G

D

V

A

P

C

V

V

A

T

P

P

L

V

L

L

S

A

V

F

A

G

E

E

A

V

I

H

K

N

L

E

P

P

Q

H

T

I

Q

I

A

E

R

R

N

N

M

T

L

F

I

Y

E

E

A

A

G

N

G

G

I

G

M

W

M

Q

P

P

G

M

N

P

P

A

I

P

K

R

I

F

S

S

G

R

C

T

A

A

D

S

P

S

H

Q

V

P

M

R

P

P

G

P

A

A

T

T

L

I

D

D

active site: G16 (≠ L22), D121 (= D144), D150 (= D173), G213 (≠ N231), G214 (≠ R232)
binding acetoacetyl-coenzyme a: I15 (≠ V21), R37 (≠ P43), A53 (≠ L76), L55 (= L78), K56 (= K79), G77 (≠ N100), Y78 (≠ F101), R79 (= R102), V82 (≠ T105), R85 (≠ K108), L86 (= L109), A118 (≠ P141), G119 (≠ A142), H120 (≠ Y143), Y124 (≠ I147), D150 (= D173)

2gd0A The 1,1-proton transfer reaction mechanism by alpha-methylacyl-coa racemase is catalyzed by an aspartate/histidine pair and involves a smooth, methionine-rich surface for binding the fatty acyl moiety (see paper)
27% identity, 95% coverage: 8:369/381 of query aligns to 2:344/354 of 2gd0A

query
sites
2gd0A

G

G

P

P

F

L

E

S

G

G

L

L

L

R

V

V

I

V

D

E

M

L

T

A

H

G

V

I

L
x
G

N

P

G

G

P

P

F

H

G

A

T

A

Q

M

L

I

L

L

C

G

N

D

M

L

G

G

A

A

R

D

V

V

I

V

K

R

V

I

E

D

P

R

P

P

G

-

H

-

G

-

D

-

T

-

R

-

T

-

F

-

G

-

P

-

Y

-

V

-

D

-

G

-

Q

-

S

-

L

I

Y

S

Y

R

S
x
D

F

A

I

M

N

L

H

R

G

N

K

R

E

R

S

I

V

V

V

T

L

A

D

D

L
|
L

K
|
K

N

S

D

D

H

Q

D

G

K

L

S

E

I

L

F

A

I

L

N

K

M

L

L

I

K

A

Q

K

A

A

D

D

V

V

L

L

A

I

E

E

N
x
G

F
x
Y

R
|
R

P

P

G

G

T
x
V

M

T

E

E

K
x
R

L
|
L

G

G

F

L

S

G

W

P

E

E

T

E

L

C

Q

A

E

K

I

V

N

N

P

D

R

R

L

L

I

I

Y

Y

A

A

S

R

S

M

S

T

G

G

F

W

G

G

H

Q

T

T

G

G

P

P

L

R

K

S

D

Q

A

Q

P

A

A
x
G

Y
x
H

D
|
D

T

I

I

N

I
x
Y

Q

I

A

S

M

L

S

N

G

G

I

I

M

L

M

H

E

A

T

I

G

G

Y

R

P

G

D

D

A

E

P

R

P

P

V

V

R

P

V

P

G

L

T

N

S

L

L

V

A

G

D
|
D

L

F

C

G

G

G

-

S

V

M

Y

F

L

L

F

L

S

V

G

G

I

I

V

L

S

A

A

A

L

L

Y

W

G

E

R

R

E

Q

K

S

S

S

Q

G

R

K

G

G

A

Q

H

V

V

V

D

D

I

A

A

A

M

M

F

V

D

D

A

G

T

S

L

-

S

S

F

V

L

L

E

I

H

Q

G

M

L

M

M

W

A

A

Y

M

I

R

A

A

T

T

G

G

-

M

-

W

-

T

-

D

-

T

K

R

S

G

P

A

Q

N

R

M

L

L

G

D

N
x
G

R
x
G

H

A

P

P

Y

Y

M

-

A

-

P

-

F

Y

D

D

V

T

F

Y

N

E

T

C

Q

A

D

D

-

G

K

R

P

Y

I

V

T

A

I

V

C

G

C

A

G

I

N

E

D

P

K

Q

L

F

F

Y

S

A

A

A

L

M

C

L

Q

A

A

G

L

L

E

G

L

L

T

D

E

A

L

A

V

E

N

L

D

P

P

P

R

Q

F

N

S

D

S

R

N

-

I

-

L

-

R

-

V

-

Q

A

N

R

Q

W

A

P

I

E

L

L

K

R

Q

A

Y

L

I

L

E

T

R

E

T

A

L

F

K

A

T

S

Q

H

A

D

A

R

E

D

V

H

W

W

L

G

A

A

R

V

I

F

H

A

E

N

V

S

G

D

V

A

P

C

V

V

A

T

P

P

L

V

L

L

S

A

V

F

A

G

E

E

A

V

I

H

K

N

L

E

P

P

Q

H

T

I

Q

I

A

E

R

R

N

N

M

T

L

F

I

Y

E

E

A

A

G

N

G

G

I

G

M

W

M

Q

P

P

G

M

N

P

P

A

I

P

K

R

I

F

S

S

G

R

C

T

A

A

D

S

P

S

H

Q

V

P

M

R

P

P

G

P

A

A

T

T

L

I

D

D

active site: G16 (≠ L22), D121 (= D144), D150 (= D173), G213 (≠ N231), G214 (≠ R232)
binding (s)-2-methylmyristoyl-coenzyme a: D42 (≠ S65), L55 (= L78), K56 (= K79), G77 (≠ N100), Y78 (≠ F101), R79 (= R102), V82 (≠ T105), R85 (≠ K108), L86 (= L109), G119 (≠ A142), H120 (≠ Y143), D121 (= D144), Y124 (≠ I147), D150 (= D173)

2gciA The 1,1-proton transfer reaction mechanism by alpha-methylacyl-coa racemase is catalyzed by an asparte/histidine pair and involves a smooth, methionine-rich surface for binding the fatty acyl moiety (see paper)
27% identity, 95% coverage: 8:369/381 of query aligns to 2:344/354 of 2gciA

query
sites
2gciA

G

G

P

P

F

L

E

S

G

G

L

L

L

R

V

V

I

V

D

E

M

L

T

A

H

G

V

I

L
x
G

N

P

G

G

P

P

F

H

G

A

T

A

Q

M

L

I

L

L

C

G

N

D

M

L

G

G

A

A

R

D

V

V

I

V

K

R

V

I

E

D

P
x
R

P

P

G

-

H

-

G

-

D

-

T

-

R

-

T

-

F

-

G

-

P

-

Y

-

V

-

D

-

G

-

Q

-

S

-

L

I

Y

S

Y

R

S

D

F

A

I

M

N

L

H

R

G

N

K

R

E

R

S

I

V

V

V

T

L

A

D

D

L
|
L

K
|
K

N

S

D

D

H

Q

D

G

K

L

S

E

I

L

F

A

I

L

N

K

M

L

L

I

K

A

Q

K

A

A

D

D

V

V

L

L

A

I

E

E

N
x
G

F
x
Y

R
|
R

P

P

G

G

T
x
V

M

T

E

E

K

R

L

L

G

G

F

L

S

G

W

P

E

E

T

E

L

C

Q

A

E

K

I

V

N

N

P

D

R

R

L

L

I

I

Y

Y

A

A

S

R

S

M

S

T

G

G

F

W

G

G

H

Q

T

T

G

G

P

P

L

R

K

S

D

Q

A

Q

P

A

A
x
G

Y
x
H

D
|
D

T

I

I

N

I
x
Y

Q

I

A

S

M

L

S

N

G

G

I

I

M

L

M

H

E

A

T

I

G

G

Y

R

P

G

D

D

A

E

P

R

P

P

V

V

R

P

V

P

G

L

T

N

S

L

L

V

A

G

D
|
D

L

F

C

G

G

G

-

S

V

M

Y

F

L

L

F

L

S

V

G

G

I

I

V

L

S

A

A

A

L

L

Y

W

G

E

R

R

E

Q

K

S

S

S

Q

G

R

K

G

G

A

Q

H

V

V

V

D

D

I

A

A

A

M

M

F

V

D

D

A

G

T

S

L

-

S

S

F

V

L

L

E

I

H

Q

G

M

L

M

M

W

A

A

Y

M

I

R

A

A

T

T

G

G

-

M

-

W

-

T

-

D

-

T

K

R

S

G

P

A

Q

N

R

M

L

L

G

D

N
x
G

R
x
G

H

A

P

P

Y

Y

M

-

A

-

P

-

F
x
Y

D

D

V

T

F

Y

N

E

T

C

Q

A

D

D

-

G

K

R

P

Y

I

V

T

A

I

V

C

G

C

A

G
x
I

N
x
E

D

P

K

Q

L

F

F

Y

S

A

A

A

L

M

C

L

Q

A

A

G

L

L

E

G

L

L

T

D

E

A

L

A

V

E

N

L

D

P

P

P

R

Q

F

N

S

D

S

R

N

-

I

-

L

-

R

-

V

-

Q

A

N

R

Q

W

A

P

I

E

L

L

K

R

Q

A

Y

L

I

L

E

T

R

E

T

A

L

F

K

A

T

S

Q

H

A

D

A

R

E

D

V

H

W

W

L

G

A

A

R

V

I

F

H

A

E

N

V

S

G

D

V

A

P

C

V

V

A

T

P

P

L

V

L

L

S

A

V

F

A

G

E

E

A

V

I

H

K

N

L

E

P

P

Q

H

T

I

Q

I

A

E

R

R

N

N

M

T

L

F

I

Y

E

E

A

A

G

N

G

G

I

G

M

W

M

Q

P

P

G

M

N

P

P

A

I

P

K

R

I

F

S

S

G

R

C

T

A

A

D

S

P

S

H

Q

V

P

M

R

P

P

G

P

A

A

T

T

L

I

D

D

active site: G16 (≠ L22), D121 (= D144), D150 (= D173), G213 (≠ N231), G214 (≠ R232)
binding (r)-2-methylmyristoyl-coenzyme a: R37 (≠ P43), L55 (= L78), K56 (= K79), G77 (≠ N100), Y78 (≠ F101), R79 (= R102), V82 (≠ T105), G119 (≠ A142), H120 (≠ Y143), D121 (= D144), Y124 (≠ I147), D150 (= D173), Y218 (≠ F239), I234 (≠ G254), E235 (≠ N255)

Query Sequence

>16476 FitnessBrowser__Keio:16476
MTNNESKGPFEGLLVIDMTHVLNGPFGTQLLCNMGARVIKVEPPGHGDDTRTFGPYVDGQ
SLYYSFINHGKESVVLDLKNDHDKSIFINMLKQADVLAENFRPGTMEKLGFSWETLQEIN
PRLIYASSSGFGHTGPLKDAPAYDTIIQAMSGIMMETGYPDAPPVRVGTSLADLCGGVYL
FSGIVSALYGREKSQRGAHVDIAMFDATLSFLEHGLMAYIATGKSPQRLGNRHPYMAPFD
VFNTQDKPITICCGNDKLFSALCQALELTELVNDPRFSSNILRVQNQAILKQYIERTLKT
QAAEVWLARIHEVGVPVAPLLSVAEAIKLPQTQARNMLIEAGGIMMPGNPIKISGCADPH
VMPGAATLDQHGEQIRQEFSS

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