SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing PP_4401 FitnessBrowser__Putida:PP_4401 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)

1qs0A Crystal structure of pseudomonas putida 2-oxoisovalerate dehydrogenase (branched-chain alpha-keto acid dehydrogenase, e1b) (see paper)
99% identity, 99% coverage: 2:408/410 of query aligns to 1:407/407 of 1qs0A

query
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active site: V95 (= V96), G181 (= G182), R307 (= R308), H311 (= H312), S312 (= S313), Y320 (= Y321)
binding magnesium ion: D212 (= D213), N241 (= N242), W243 (= W244)
binding thiamine diphosphate: Y132 (= Y133), R133 (= R134), G181 (= G182), L183 (= L184), G211 (= G212), D212 (= D213), G213 (= G214), A214 (= A215), E217 (= E218), N241 (= N242), W243 (= W244), A244 (= A245), I245 (= I246), H311 (= H312)

P12694 2-oxoisovalerate dehydrogenase subunit alpha, mitochondrial; Branched-chain alpha-keto acid dehydrogenase E1 component alpha chain; BCKDE1A; BCKDH E1-alpha; EC 1.2.4.4 from Homo sapiens (Human) (see 7 papers)
39% identity, 87% coverage: 54:408/410 of query aligns to 78:427/445 of P12694

query
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P12694

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QYR 157:159 (≠ TYR 132:134) binding
S206 (= S181) binding
T211 (= T186) binding
Q212 (= Q187) binding

Sites not aligning to the query:

1:45 modified: transit peptide, Mitochondrion
438 Y → N: in MSUD1A; impedes assembly of the E1 component; dbSNP:rs137852870

2bffA Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch (see paper)
38% identity, 87% coverage: 54:408/410 of query aligns to 28:374/392 of 2bffA

query
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active site: E71 (≠ V96), S157 (≠ G182), R282 (= R308), H286 (= H312), S287 (= S313), Y295 (= Y321)
binding manganese (ii) ion: E188 (≠ D213), N217 (= N242), Y219 (≠ W244), A220 (= A245)
binding 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl}ethyl trihydrogendiphosphate: Q107 (≠ T132), Y108 (= Y133), R109 (= R134), S157 (≠ G182), P158 (≠ N183), L159 (= L184), G187 (= G212), E188 (≠ D213), G189 (= G214), A190 (= A215), E193 (= E218), R215 (≠ V240), N217 (= N242), Y219 (≠ W244), A220 (= A245), I221 (= I246), H286 (= H312)

1wciA Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch (see paper)
39% identity, 87% coverage: 54:408/410 of query aligns to 28:370/388 of 1wciA

query
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1wciA

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M

Q

T

S

N

L

Y

G

G

E

E

E

E

A

G

I

T

G

H

S

V

G

G

Q

S

A

A

L

A

A

A

L

L

N

D

R

N

T

T

D

D

M

L

C

V

F

F

P

G

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x
Q

Y
|
Y

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R

Q

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G

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L

L

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M

A

Y

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D

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L

L

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E

L

M

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N

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D

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L

L

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K

K

G

G

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Y

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K

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H

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F

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I

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L

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Q

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G

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N

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N

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A

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I

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S

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F

P

Q

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A

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G

Q

G

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G

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C

Y

G

G

I

I

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M

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L

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D

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G

N

N

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A

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Y

Y

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A

A

S

T

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K

W

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A

A

A

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R

R

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A

G

E

L

N

G

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P

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L

L

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I

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M

T

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Y

Y

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|
R

A

I

G

G

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S

T

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D

D

D

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|
Y

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A

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D

D

K

W

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D

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L

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I

I

A

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R

L

L

K

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Q

H

H

Y

L

L

I

L

K

S

I

Q

G

G

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W

W

S

D

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E

E

E

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H

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Q

K

A

A

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A

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L

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A

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K

V

V

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A

A

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F

K

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A

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Q

R

Y

K

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P

T

K

L

-

A

-

N

-

G

-

H

-

I

-

P

P

S

N

A

P

A

N

S

L

M

L

F

F

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S

D

D

V

V

Y

Y

K

Q

E

E

M

M

P

P

D

A

H

Q

L

L

R

R

R

K

Q

Q

R

Q

Q

E

E

S

L

L

active site: E71 (≠ V96), S157 (≠ G182), R282 (= R308), H286 (= H312), S287 (= S313), Y295 (= Y321)
binding manganese (ii) ion: E188 (≠ D213), N217 (= N242), Y219 (≠ W244), A220 (= A245)
binding c2-1-hydroxy-3-methyl-butyl-thiamin: Q107 (≠ T132), Y108 (= Y133), R109 (= R134), H144 (≠ M169), S157 (≠ G182), P158 (≠ N183), L159 (= L184), G187 (= G212), E188 (≠ D213), G189 (= G214), A190 (= A215), E193 (= E218), R215 (≠ V240), N217 (= N242), Y219 (≠ W244), A220 (= A245), I221 (= I246), H286 (= H312)

2bewA Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch (see paper)
39% identity, 87% coverage: 54:408/410 of query aligns to 28:372/390 of 2bewA

query
sites
2bewA

L

I

V

Y

R

R

V

V

L

M

D

D

E

R

Q

Q

G

G

D

Q

A

I

Q

I

G

N

P

P

W

S

A

E

E

-

D

-

I

-

D

D

P

P

Q

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I

L

L

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K

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V

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L

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K

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L

L

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K

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-

M

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-

L

-

L

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N

I

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F

M

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D

S

R

R

I

M

L

V

Y

V
x
E

A

S

Q

Q

R

R

Q

Q

K

G

K

R

M

I

S

S

F
|
F

Y

Y

M
|
M

Q

T

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N

L

Y

G

G

E

E

E

E

A

G

I

T

G

H

S

V

G

G

Q

S

A

A

L

A

A

A

L

L

N

D

R

N

T

T

D

D

M

L

C

V

F

F

P

G

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x
Q

Y
|
Y

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|
R

Q

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Q

A

S

G

I

V

L

L

M

M

A

Y

R

R

D

D

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Y

S

P

L

L

V

E

E

L

M

F

I

M

C

A

Q

Q

L

C

L

Y

S

G

N

N

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D

D

P

L

L

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K

K

G

G

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Y

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K

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F

F

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T

I

I

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S

G
x
S

N
x
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|
L

A

A

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T

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Q

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A

A

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G

W

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K

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G

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|
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L

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N

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|
I

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|
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L

-

A

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-

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A

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L

M

L

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F

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V

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Y

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M

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P

D

A

H

Q

L

L

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R

R

K

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Q

R

Q

Q

E

E

S

L

L

active site: E71 (≠ V96), S157 (≠ G182), R282 (= R308), H286 (= H312), S287 (= S313), Y295 (= Y321)
binding manganese (ii) ion: E188 (≠ D213), N217 (= N242), Y219 (≠ W244), A220 (= A245)
binding c2-1-hydroxyphenyl-thiamin diphosphate: F80 (= F105), M82 (= M107), Q107 (≠ T132), Y108 (= Y133), R109 (= R134), H144 (≠ M169), S157 (≠ G182), P158 (≠ N183), L159 (= L184), G187 (= G212), E188 (≠ D213), G189 (= G214), A190 (= A215), E193 (= E218), R215 (≠ V240), N217 (= N242), Y219 (≠ W244), A220 (= A245), I221 (= I246), H286 (= H312)
binding : S289 (= S315), D290 (= D316)

2bevA Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch (see paper)
39% identity, 87% coverage: 54:408/410 of query aligns to 28:372/390 of 2bevA

query
sites
2bevA

L

I

V

Y

R

R

V

V

L

M

D

D

E

R

Q

Q

G

G

D

Q

A

I

Q

I

G

N

P

P

W

S

A

E

E

-

D

-

I

-

D

D

P

P

Q

H

I

L

L

P

R

K

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G

K

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V

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L

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K

M

L

L

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K

K

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-

M

-

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-

L

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L

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N

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F

M

D

D

S

R

R

I

M

L

V

Y

V
x
E

A

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Q

Q

R

R

Q

Q

K

G

K

R

M

I

S

S

F
|
F

Y

Y

M
|
M

Q

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S

N

L

Y

G

G

E

E

E

E

A

G

I

T

G

H

S

V

G

G

Q

S

A

A

L

A

A

A

L

L

N

D

R

N

T

T

D

D

M

L

C

V

F

F

P

G

T
x
Q

Y
|
Y

R
|
R

Q

E

Q

A

S

G

I

V

L

L

M

M

A

Y

R

R

D

D

V

Y

S

P

L

L

V

E

E

L

M

F

I

M

C

A

Q

Q

L

C

L

Y

S

G

N

N

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I

R

S

D

D

P

L

L

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K

K

G

G

R

R

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Q

L

M

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M

H

Y

Y

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K

E

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A

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H

F

F

F

V

T

T

I

I

S

S

G
x
S

N
x
P

L
|
L

A

A

T

T

Q

Q

F

I

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P

Q

Q

A

A

V

V

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G

W

A

A

A

M

Y

A

A

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A

A

K

I

R

K

A

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N

D

A

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N

K

R

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V

A

V

S

I

A

C

W

Y

I

F

G
|
G

D
x
E

G
|
G

A
|
A

T

A

A

S

E
|
E

S

G

D

D

F

A

H

H

T

A

A

G

L

F

T

N

F

F

A

A

H

A

V

T

Y

L

R

E

A

C

P

P

V

I

I

I

L

F

N

F

V

C

V
x
R

N

N

N
|
N

Q

G

W
x
Y

A
|
A

I
|
I

S

S

T

T

F

P

Q

T

A

S

I

-

A

E

G

Q

G

Y

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S

G

T

D

T

G

F

I

A

A

G

A

R

R

G

G

V

P

G

G

C

Y

G

G

I

I

A

M

S

S

L

I

R

R

V

V

D

D

G

G

N

N

D

D

F

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V

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A

A

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V

Y

Y

A

N

A

A

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T

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K

W

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A

A

A

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R

R

R

A

A

R

V

R

A

G

E

L

N

G

Q

P

P

S

F

L

L

I

I

E

E

W

A

V

M

T

T

Y

Y

R
|
R

A

I

G

G

P

H

H
|
H

S
|
S

T

T

S
|
S

D
|
D

D

D

P

S

S

S

K

A

Y
|
Y

R

R

P

N

A

Y

-

W

D

D

D

K

W

Q

S

D

H

H

F

-

P

-

L

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G

-

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P

I

I

A

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L

L

K

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Y

L

L

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L

K

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G

G

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W

W

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D

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A

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A

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V

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A

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A

A

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F

K

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A

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E

Q

R

Y

K

G

P

T

K

L

-

A

-

N

-

G

-

H

-

I

-

P

P

S

N

A

P

A

N

S

L

M

L

F

F

E

S

D

D

V

V

Y

Y

K

Q

E

E

M

M

P

P

D

A

H

Q

L

L

R

R

R

K

Q

Q

R

Q

Q

E

E

S

L

L

active site: E71 (≠ V96), S157 (≠ G182), R282 (= R308), H286 (= H312), S287 (= S313), Y295 (= Y321)
binding manganese (ii) ion: E188 (≠ D213), N217 (= N242), Y219 (≠ W244), A220 (= A245)
binding c2-1-hydroxy-2-methyl-butyl-thiamin diphosphate: F80 (= F105), M82 (= M107), Q107 (≠ T132), Y108 (= Y133), R109 (= R134), S157 (≠ G182), P158 (≠ N183), L159 (= L184), G187 (= G212), E188 (≠ D213), G189 (= G214), A190 (= A215), E193 (= E218), R215 (≠ V240), N217 (= N242), Y219 (≠ W244), A220 (= A245), I221 (= I246), H286 (= H312)
binding : S289 (= S315), D290 (= D316)

2beuA Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch (see paper)
39% identity, 87% coverage: 54:408/410 of query aligns to 28:372/390 of 2beuA

query
sites
2beuA

L

I

V

Y

R

R

V

V

L

M

D

D

E

R

Q

Q

G

G

D

Q

A

I

Q

I

G

N

P

P

W

S

A

E

E

-

D

-

I

-

D

D

P

P

Q

H

I

L

L

P

R

K

Q

E

G

K

M

V

R

L

A

K

M

L

L

Y

K

K

T

S

-

M

-

T

-

L

-

L

R

N

I

T

F

M

D

D

S

R

R

I

M

L

V

Y

V
x
E

A

S

Q

Q

R

R

Q

Q

K

G

K

R

M

I

S

S

F

F

Y

Y

M
|
M

Q

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S

N

L

Y

G

G

E

E

E

E

A

G

I

T

G

H

S

V

G

G

Q

S

A

A

L

A

A

A

L

L

N

D

R

N

T

T

D

D

M

L

C

V

F

F

P

G

T
x
Q

Y
|
Y

R
|
R

Q

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Q

A

S

G

I

V

L

L

M

M

A

Y

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D

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L

L

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L

M

F

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M

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A

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Q

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N

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D

D

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L

L

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K

G

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K

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H

F

F

F

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T

T

I

I

S

S

G
x
S

N
x
P

L
|
L

A

A

T

T

Q

Q

F

I

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Q

Q

A

A

V

V

G

G

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A

A

A

M

Y

A

A

S

A

A

K

I

R

K

A

G

N

D

A

T

N

K

R

I

V

A

V

S

I

A

C

W

Y

I

F

G
|
G

D
x
E

G
|
G

A
|
A

T

A

A

S

E
|
E

S

G

D

D

F

A

H

H

T

A

A

G

L

F

T

N

F

F

A

A

H

A

V

T

Y

L

R

E

A

C

P

P

V

I

I

I

L

F

N

F

V

C

V
x
R

N

N

N
|
N

Q

G

W
x
Y

A
|
A

I
|
I

S

S

T

T

F

P

Q

T

A

S

I

-

A

E

G

Q

G

Y

E

R

S

G

T

D

T

G

F

I

A

A

G

A

R

R

G

G

V

P

G

G

C

Y

G

G

I

I

A

M

S

S

L

I

R

R

V

V

D

D

G

G

N

N

D

D

F

V

V

F

A

A

V

V

Y

Y

A

N

A

A

S

T

R

K

W

E

A

A

A

R

E

R

R

R

A

A

R

V

R

A

G

E

L

N

G

Q

P

P

S

F

L

L

I

I

E

E

W

A

V

M

T

T

Y

Y

R
|
R

A

I

G

G

P

H

H
|
H

S
|
S

T

T

S
|
S

D
|
D

D

D

P

S

S

S

K

A

Y
|
Y

R

R

P

N

A

Y

-

W

D

D

D

K

W

Q

S

D

H

H

F

-

P

-

L

-

G

-

D

-

P

P

I

I

A

S

R

R

L

L

K

R

Q

H

H

Y

L

L

I

L

K

S

I

Q

G

G

H

W

W

W

S

D

E

E

E

E

E

Q

H

E

Q

K

A

A

V

W

T

R

A

K

E

Q

L

S

E

R

A

R

A

K

V

V

I

M

A

E

A

A

Q

F

K

E

E

Q

A

A

E

E

Q

R

Y

K

G

P

T

K

L

-

A

-

N

-

G

-

H

-

I

-

P

P

S

N

A

P

A

N

S

L

M

L

F

F

E

S

D

D

V

V

Y

Y

K

Q

E

E

M

M

P

P

D

A

H

Q

L

L

R

R

R

K

Q

Q

R

Q

Q

E

E

S

L

L

active site: E71 (≠ V96), S157 (≠ G182), R282 (= R308), H286 (= H312), S287 (= S313), Y295 (= Y321)
binding manganese (ii) ion: E188 (≠ D213), N217 (= N242), Y219 (≠ W244), A220 (= A245)
binding c2-1-hydroxy-3-methyl-propyl-thiamin diphosphate: M82 (= M107), Q107 (≠ T132), Y108 (= Y133), R109 (= R134), S157 (≠ G182), P158 (≠ N183), L159 (= L184), G187 (= G212), E188 (≠ D213), G189 (= G214), A190 (= A215), E193 (= E218), R215 (≠ V240), N217 (= N242), Y219 (≠ W244), A220 (= A245), I221 (= I246), H286 (= H312)
binding : S289 (= S315), D290 (= D316)

1dtwA Human branched-chain alpha-keto acid dehydrogenase (see paper)
38% identity, 87% coverage: 54:408/410 of query aligns to 27:364/382 of 1dtwA

query
sites
1dtwA

L

I

V

Y

R

R

V

V

L

M

D

D

E

R

Q

Q

G

G

D

Q

A

I

Q

I

G

N

P

P

W

S

A

E

E

-

D

-

I

-

D

D

P

P

Q

H

I

L

L

P

R

K

Q

E

G

K

M

V

R

L

A

K

M

L

L

Y

K

K

T

S

-

M

-

T

-

L

-

L

R

N

I

T

F

M

D

D

S

R

R

I

M

L

V

Y

V
x
E

A

S

Q

Q

R

R

Q

Q

K

G

K

R

M

I

S

S

F

F

Y

Y

M

M

Q

T

S

N

L

Y

G

G

E

E

E

E

A

G

I

T

G

H

S

V

G

G

Q

S

A

A

L

A

A

A

L

L

N

D

R

N

T

T

D

D

M

L

C

V

F

F

P

G

T
x
Q

Y
|
Y

R
|
R

Q

E

Q

A

S

G

I

V

L

L

M

M

A

Y

R

R

D

D

V

Y

S

P

L

L

V

E

E

L

M

F

I

M

C

A

Q

Q

L

C

L

Y

S

G

N

N

E

I

R

S

D

D

P

L

L

G

K

K

G

G

R

R

Q

Q

L

M

P

P

I

V

M

H

Y

Y

S

G

V

C

R

K

E

E

A

R

G

H

F

F

F

V

T

T

I

I

S
|
S

G
x
S

N
x
P

L
|
L

A

A

T

T

Q
|
Q

F

I

V

P

Q

Q

A

A

V

V

G

G

W

A

A

A

M

Y

A

A

S

A

A

K

I

R

K

A

G

N

D

A

T

N

K

R

I

V

A

V

S

I

A

C

W

Y

I

F

G
|
G

D
x
E

G
|
G

A
|
A

T

A

A

S

E

E

S

G

D

D

F

A

H

H

T

A

A

G

L

F

T

N

F

F

A

A

H

A

V

T

Y

L

R

E

A

C

P

P

V

I

I

I

L

F

N

F

V

C

V
x
R

N

N

N
|
N

Q

G

W
x
Y

A
|
A

I
|
I

S

S

T

T

F

-

Q

P

A

T

I

S

A

E

G

Q

G

Y

E

R

S

G

T

D

T

G

F

I

A

A

G

A

R

R

G

G

V

P

G

G

C

Y

G

G

I

I

A

M

S

S

L

I

R

R

V

V

D

D

G

G

N

N

D

D

F

V

V

F

A

A

V

V

Y

Y

A

N

A

A

S

T

R

K

W

E

A

A

A

R

E

R

R

R

A

A

R

V

R

A

G

E

L

N

G

Q

P

P

S

F

L

L

I

I

E

E

W

A

V

M

T

T

Y

Y

R
|
R

A

I

G

G

P

H

H
|
H

S
|
S

T

T

S

S

D

D

D

D

P

S

S

S

K

A

Y
|
Y

R

R

P

-

A

-

D

-

D

-

W

-

S

-

H

-

F

-

P

-

L

-

G

-

D

H

P

P

I

I

A

S

R

R

L

L

K

R

Q

H

H

Y

L

L

I

L

K

S

I

Q

G

G

H

W

W

W

S

D

E

E

E

E

E

Q

H

E

Q

K

A

A

V

W

T

R

A

K

E

Q

L

S

E

R

A

R

A

K

V

V

I

M

A

E

A

A

Q

F

K

E

E

Q

A

A

E

E

Q

R

Y

K

G

P

T

K

L

-

A

-

N

-

G

-

H

-

I

-

P

P

S

N

A

P

A

N

S

L

M

L

F

F

E

S

D

D

V

V

Y

Y

K

Q

E

E

M

M

P

P

D

A

H

Q

L

L

R

R

R

K

Q

Q

R

Q

Q

E

E

S

L

L

active site: E70 (≠ V96), S156 (≠ G182), R281 (= R308), H285 (= H312), S286 (= S313), Y294 (= Y321)
binding potassium ion: S155 (= S181), P157 (≠ N183), Q161 (= Q187)
binding magnesium ion: E187 (≠ D213), N216 (= N242), Y218 (≠ W244)
binding thiamine diphosphate: Q106 (≠ T132), Y107 (= Y133), R108 (= R134), S156 (≠ G182), P157 (≠ N183), L158 (= L184), G186 (= G212), E187 (≠ D213), G188 (= G214), A189 (= A215), R214 (≠ V240), N216 (= N242), Y218 (≠ W244), A219 (= A245), I220 (= I246), H285 (= H312)

1v1mA Crosstalk between cofactor binding and the phosphorylation loop conformation in the bckd machine (see paper)
36% identity, 87% coverage: 54:408/410 of query aligns to 28:354/372 of 1v1mA

query
sites
1v1mA

L

I

V

Y

R

R

V

V

L

M

D

D

E

R

Q

Q

G

G

D

Q

A

I

Q

I

G

N

P

P

W

S

A

E

E

-

D

-

I

-

D

D

P

P

Q

H

I

L

L

P

R

K

Q

E

G

K

M

V

R

L

A

K

M

L

L

Y

K

K

T

S

-

M

-

T

-

L

-

L

R

N

I

T

F

M

D

D

S

R

R

I

M

L

V

Y

V
x
E

A

S

Q

Q

R

R

Q

Q

K

G

K

R

M

I

S

S

F

F

Y

Y

M

M

Q

T

S

N

L

Y

G

G

E

E

E

E

A

G

I

T

G

H

S

V

G

G

Q

S

A

A

L

A

A

A

L

L

N

D

R

N

T

T

D

D

M

L

C

V

F

F

P

G

T

Q

Y

Y

R
|
R

Q

E

Q

A

S

G

I

V

L

L

M

M

A

Y

R

R

D

D

V

Y

S

P

L

L

V

E

E

L

M

F

I

M

C

A

Q

Q

L

C

L

Y

S

G

N

N

E

I

R

S

D

D

P

L

L

G

K

K

G

G

R

R

Q

Q

L

M

P

P

I

V

M

H

Y

Y

S

G

V

C

R

K

E

E

A

R

G

H

F

F

F

V

T

T

I

I

S

S

G
x
S

N
x
P

L
|
L

A

A

T

T

Q

Q

F

I

V

P

Q

Q

A

A

V

V

G

G

W

A

A

A

M

Y

A

A

S

A

A

K

I

R

K

A

G

N

D

A

T

N

K

R

I

V

A

V

S

I

A

C

W

Y

I

F

G
|
G

D
x
E

G
|
G

A
|
A

T

A

A

S

E
|
E

S

G

D

D

F

A

H

H

T

A

A

G

L

F

T

N

F

F

A

A

H

A

V

T

Y

L

R

E

A

C

P

P

V

I

I

I

L

F

N

F

V

C

V
x
R

N

N

N
|
N

Q

G

W
x
Y

A
|
A

I
|
I

S

S

T

T

F

P

Q

T

A

S

I

-

A

E

G

Q

G

Y

E

R

S

G

T

D

T

G

F

I

A

A

G

A

R

R

G

G

V

P

G

G

C

Y

G

G

I

I

A

M

S

S

L

I

R

R

V

V

D

D

G

G

N

N

D

D

F

V

V

F

A

A

V

V

Y

Y

A

N

A

A

S

T

R

K

W

E

A

A

A

R

E

R

R

R

A

A

R

V

R

A

G

E

L

N

G

Q

P

P

S

F

L

L

I

I

E

E

W

A

V

M

T

T

Y

Y

R
|
R

A

I

G

G

P

D

H

H

S

-

T

-

S

-

D

-

D

-

P

-

S

-

K

-

Y

-

R

-

P

-

A

-

D

-

D

-

W

-

S

-

H

-

F

-

P

-

L

-

G

-

D

-

P

P

I

I

A

S

R

R

L

L

K

R

Q

H

H

Y

L

L

I

L

K

S

I

Q

G

G

H

W

W

W

S

D

E

E

E

E

E

Q

H

E

Q

K

A

A

V

W

T

R

A

K

E

Q

L

S

E

R

A

R

A

K

V

V

I

M

A

E

A

A

Q

F

K

E

E

Q

A

A

E

E

Q

R

Y

K

G

P

T

K

L

-

A

-

N

-

G

-

H

-

I

-

P

P

S

N

A

P

A

N

S

L

M

L

F

F

E

S

D

D

V

V

Y

Y

K

Q

E

E

M

M

P

P

D

A

H

Q

L

L

R

R

R

K

Q

Q

R

Q

Q

E

E

S

L

L

active site: E71 (≠ V96), S157 (≠ G182), R282 (= R308)
binding manganese (ii) ion: E188 (≠ D213), N217 (= N242), Y219 (≠ W244)
binding thiamine diphosphate: R109 (= R134), S157 (≠ G182), P158 (≠ N183), L159 (= L184), G187 (= G212), E188 (≠ D213), G189 (= G214), A190 (= A215), E193 (= E218), R215 (≠ V240), N217 (= N242), Y219 (≠ W244), A220 (= A245), I221 (= I246)

1umdA Branched-chain 2-oxo acid dehydrogenase (e1) from thermus thermophilus hb8 with 4-methyl-2-oxopentanoate as an intermediate (see paper)
36% identity, 85% coverage: 55:404/410 of query aligns to 11:354/362 of 1umdA

query
sites
1umdA

V

I

R

R

V

L

L

I

D

G

E

E

Q

E

G

G

D

E

A

W

Q

L

G

G

P

D

W

F

A

P

E

L

D

D

I

L

D

E

P

G

Q

E

I

K

L

L

R

R

Q

R

G

L

M

Y

R

R

A

D

M

M

L

L

K

A

T

A

R

R

I

M

F

L

D

D

S

E

R

R

M

Y

V

T

V
x
I

A

L

Q

I

R

R

Q

T

K

G

K

K

M

T

S

S

F
|
F

Y

I

M

A

Q

P

S

A

L

A

G

G

E

H

E

E

A

A

I

A

G

Q

S

V

G

A

Q

I

A

A

L

H

A

A

L

I

N

R

R

P

T

G

-

F

D

D

M

W

C

V

F

F

P

P

T
x
Y

Y
|
Y

R
|
R

Q

D

Q

H

S

G

I

L

L

A

M

L

A

A

R

L

D

G

V

I

S

P

L

L

V

K

E

E

M

L

I

L

C

G

Q

Q

L

M

L

L

S

A

N

T

E

K

R

A

D

D

P

P

L

N

K

K

G

G

R

R

Q

Q

L

M

P

P

I

E

M
x
H

Y

P

S

G

V

S

R

K

E

A

A

L

G

N

F

F

F

F

T

T

I

V

S

A

G
x
S

N
x
P

L
x
I

A

A

T

S

Q

H

F

V

V

P

Q

P

A

A

V

A

G

G

W

A

A

A

M

I

A

S

S

M

A

K

I

L

K

L

G

R

D

T

T

G

K

Q

I

V

A

A

S

V

A

C

W

T

I

F

G
|
G

D
|
D

G
|
G

A
|
A

T

T

A

S

E
|
E

S

G

D

D

F

W

H

Y

T

A

A

G

L

I

T

N

F

F

A

A

H

A

V

V

Y

Q

R

G

A

A

P

P

V

A

I

V

L

F

N

I

V

A

V

E

N

N

N
|
N

Q

F

W
x
Y

A
|
A

I
|
I

S

S

T

V

F

-

Q

D

A

Y

I

R

A

H

G

Q

G

T

E

H

S

S

T

P

T

T

F

I

A

A

G

D

R

K

G

A

V

H

G

A

C

F

G

G

I

I

A

P

S

G

L

Y

R

L

V

V

D

D

G

G

N

M

D

D

F

V

V

L

A

A

V

S

Y

Y

A

Y

A

V

S

V

R

K

W

E

A

A

A

V

E

E

R

R

A

A

R

R

R

R

G

G

L

E

G

G

P

P

S

S

L

L

I

V

E

E

W

L

V

R

T

V

Y

Y

R
|
R

A

Y

G

G

P

P

H
|
H

S
|
S

T

S

S

A

D

D

D

D

P

D

S

S

K

R

Y
|
Y

R

R

P

P

A

K

D

E

D

E

W

V

S

A

H

F

F

W

P

R

L

K

G

K

D

D

P

P

I

I

A

P

R

R

L

F

K

R

Q

R

H

F

L

L

I

E

K

A

I

R

G

G

H

L

W

W

S

N

E

E

E

E

E

W

H

E

Q

E

A

D

V

V

T

R

A

E

E

E

L

I

E

R

A

A

A

E

V

L

I

E

A

R

A

G

Q

L

K

K

E

E

A

A

E

E

Q

E

Y

A

G

G

T

P

L

V

A

-

N

-

G

-

H

-

I

-

P

-

S

P

A

P

A

E

S

W

M

M

F

F

E

E

D

D

V

V

Y

F

K

A

E

E

M

K

P

P

D

W

H

H

L

L

R

L

R

R

Q

Q

active site: I52 (≠ V96), S139 (≠ G182), R264 (= R308), H268 (= H312), S269 (= S313), Y277 (= Y321)
binding 2-oxo-4-methylpentanoic acid: F61 (= F105), Y90 (= Y133), H126 (≠ M169), S139 (≠ G182)
binding magnesium ion: D170 (= D213), N199 (= N242), Y201 (≠ W244)
binding thiamine diphosphate: Y89 (≠ T132), Y90 (= Y133), R91 (= R134), S139 (≠ G182), P140 (≠ N183), I141 (≠ L184), G169 (= G212), D170 (= D213), G171 (= G214), A172 (= A215), E175 (= E218), N199 (= N242), Y201 (≠ W244), A202 (= A245), I203 (= I246), H268 (= H312)

1umcA Branched-chain 2-oxo acid dehydrogenase (e1) from thermus thermophilus hb8 with 4-methylpentanoate (see paper)
36% identity, 85% coverage: 55:404/410 of query aligns to 11:354/362 of 1umcA

query
sites
1umcA

V

I

R

R

V

L

L

I

D

G

E

E

Q

E

G

G

D

E

A

W

Q

L

G

G

P

D

W

F

A

P

E

L

D

D

I

L

D

E

P

G

Q

E

I

K

L

L

R

R

Q

R

G

L

M

Y

R

R

A

D

M

M

L

L

K

A

T

A

R

R

I

M

F

L

D

D

S

E

R

R

M

Y

V

T

V
x
I

A

L

Q

I

R

R

Q

T

K

G

K

K

M

T

S

S

F
|
F

Y

I

M

A

Q

P

S

A

L

A

G

G

E

H

E

E

A

A

I

A

G

Q

S

V

G

A

Q

I

A

A

L

H

A

A

L

I

N

R

R

P

T

G

-

F

D

D

M

W

C

V

F

F

P

P

T
x
Y

Y
|
Y

R
|
R

Q

D

Q

H

S

G

I

L

L

A

M

L

A

A

R

L

D

G

V

I

S

P

L

L

V

K

E

E

M

L

I

L

C

G

Q

Q

L

M

L

L

S

A

N

T

E

K

R

A

D

D

P

P

L

N

K

K

G

G

R

R

Q

Q

L
x
M

P

P

I

E

M
x
H

Y

P

S

G

V

S

R

K

E

A

A

L

G

N

F

F

F

F

T

T

I

V

S

A

G
x
S

N
x
P

L
x
I

A

A

T

S

Q

H

F

V

V

P

Q

P

A

A

V

A

G

G

W

A

A

A

M

I

A

S

S

M

A

K

I

L

K

L

G

R

D

T

T

G

K

Q

I

V

A

A

S

V

A

C

W

T

I

F

G
|
G

D
|
D

G
|
G

A
|
A

T

T

A

S

E
|
E

S

G

D

D

F

W

H

Y

T

A

A

G

L

I

T

N

F

F

A

A

H

A

V

V

Y

Q

R

G

A

A

P

P

V

A

I

V

L

F

N

I

V

A

V

E

N

N

N
|
N

Q

F

W
x
Y

A
|
A

I
|
I

S

S

T

V

F

-

Q

D

A

Y

I

R

A

H

G

Q

G

T

E

H

S

S

T

P

T

T

F

I

A

A

G

D

R

K

G

A

V

H

G

A

C

F

G

G

I

I

A

P

S

G

L

Y

R

L

V

V

D

D

G

G

N

M

D

D

F

V

V

L

A

A

V

S

Y

Y

A

Y

A

V

S

V

R

K

W

E

A

A

A

V

E

E

R

R

A

A

R

R

R

R

G

G

L

E

G

G

P

P

S

S

L

L

I

V

E

E

W

L

V

R

T

V

Y

Y

R
|
R

A

Y

G

G

P

P

H
|
H

S
|
S

T

S

S

A

D

D

D

D

P

D

S

S

K

R

Y
|
Y

R

R

P

P

A

K

D

E

D

E

W

V

S

A

H

F

F

W

P

R

L

K

G

K

D

D

P

P

I

I

A

P

R

R

L

F

K

R

Q

R

H

F

L

L

I

E

K

A

I

R

G

G

H

L

W

W

S

N

E

E

E

E

E

W

H

E

Q

E

A

D

V

V

T

R

A

E

E

E

L

I

E

R

A

A

A

E

V

L

I

E

A

R

A

G

Q

L

K

K

E

E

A

A

E

E

Q

E

Y

A

G

G

T

P

L

V

A

-

N

-

G

-

H

-

I

-

P

-

S

P

A

P

A

E

S

W

M

M

F

F

E

E

D

D

V

V

Y

F

K

A

E

E

M

K

P

P

D

W

H

H

L

L

R

L

R

R

Q

Q

active site: I52 (≠ V96), S139 (≠ G182), R264 (= R308), H268 (= H312), S269 (= S313), Y277 (= Y321)
binding 4-methyl valeric acid: F61 (= F105), Y90 (= Y133), M123 (≠ L166), H126 (≠ M169), S139 (≠ G182)
binding magnesium ion: D170 (= D213), N199 (= N242), Y201 (≠ W244)
binding thiamine diphosphate: Y89 (≠ T132), Y90 (= Y133), R91 (= R134), S139 (≠ G182), P140 (≠ N183), I141 (≠ L184), G169 (= G212), D170 (= D213), G171 (= G214), A172 (= A215), E175 (= E218), N199 (= N242), Y201 (≠ W244), A202 (= A245), I203 (= I246), H268 (= H312)

1umbA Branched-chain 2-oxo acid dehydrogenase (e1) from thermus thermophilus hb8 in holo-form (see paper)
36% identity, 85% coverage: 55:404/410 of query aligns to 11:354/362 of 1umbA

query
sites
1umbA

V

I

R

R

V

L

L

I

D

G

E

E

Q

E

G

G

D

E

A

W

Q

L

G

G

P

D

W

F

A

P

E

L

D

D

I

L

D

E

P

G

Q

E

I

K

L

L

R

R

Q

R

G

L

M

Y

R

R

A

D

M

M

L

L

K

A

T

A

R

R

I

M

F

L

D

D

S

E

R

R

M

Y

V

T

V
x
I

A

L

Q

I

R

R

Q

T

K

G

K

K

M

T

S

S

F

F

Y

I

M

A

Q

P

S

A

L

A

G

G

E

H

E

E

A

A

I

A

G

Q

S

V

G

A

Q

I

A

A

L

H

A

A

L

I

N

R

R

P

T

G

-

F

D

D

M

W

C

V

F

F

P

P

T
x
Y

Y
|
Y

R
|
R

Q

D

Q

H

S

G

I

L

L

A

M

L

A

A

R

L

D

G

V

I

S

P

L

L

V

K

E

E

M

L

I

L

C

G

Q

Q

L

M

L

L

S

A

N

T

E

K

R

A

D

D

P

P

L

N

K

K

G

G

R

R

Q

Q

L

M

P

P

I

E

M

H

Y

P

S

G

V

S

R

K

E

A

A

L

G

N

F

F

F

F

T

T

I

V

S

A

G
x
S

N
x
P

L
x
I

A

A

T

S

Q

H

F

V

V

P

Q

P

A

A

V

A

G

G

W

A

A

A

M

I

A

S

S

M

A

K

I

L

K

L

G

R

D

T

T

G

K

Q

I

V

A

A

S

V

A

C

W

T

I

F

G
|
G

D
|
D

G
|
G

A
|
A

T

T

A

S

E
|
E

S

G

D

D

F

W

H

Y

T

A

A

G

L

I

T

N

F

F

A

A

H

A

V

V

Y

Q

R

G

A

A

P

P

V

A

I

V

L

F

N

I

V

A

V

E

N

N

N
|
N

Q

F

W
x
Y

A
|
A

I