SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 7024960 FitnessBrowser__ANA3:7024960 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)

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 14 papers)
50% identity, 93% coverage: 24:386/392 of query aligns to 76:439/445 of P12694

query
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P12694

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Y158 (= Y106) binding
R159 (= R107) binding ; to W: in MSUD1A; loss of 3-methyl-2-oxobutanoate dehydrogenase activity; dbSNP:rs769688327
Q190 (= Q138) to K: in MSUD1A; decreased 3-methyl-2-oxobutanoate dehydrogenase activity
S206 (= S154) binding
S207 (= S155) binding
P208 (= P156) binding
T211 (= T159) binding ; to M: in MSUD1A; loss of 3-methyl-2-oxobutanoate dehydrogenase activity; dbSNP:rs398123503
Q212 (= Q160) binding
E238 (= E186) binding
G239 (= G187) binding
A240 (= A188) binding
G249 (= G197) to S: in MSUD1A; no effect on solubility; no effect on mitochondrial alpha-ketoglutarate dehydrogenase complex assembly; loss of 3-methyl-2-oxobutanoate dehydrogenase activity; dbSNP:rs137852874
A253 (= A201) to T: in MSUD1A; loss of 3-methyl-2-oxobutanoate dehydrogenase activity; dbSNP:rs199599175
A254 (= A202) to D: in MSUD1A; uncertain significance; loss of 3-methyl-2-oxobutanoate dehydrogenase activity
R265 (= R213) binding ; to W: in MSUD1A; uncertain significance; no effect on solubility; no effect on mitochondrial alpha-ketoglutarate dehydrogenase complex assembly; loss of 3-methyl-2-oxobutanoate dehydrogenase activity; dbSNP:rs137852873
N267 (= N215) binding ; to S: in MSUD1A; uncertain significance; no effect on solubility; no effect on mitochondrial alpha-ketoglutarate dehydrogenase complex assembly; decreased affinity for the cofactor thiamine diphosphate; decreased 3-methyl-2-oxobutanoate dehydrogenase activity
Y269 (= Y217) binding
A285 (= A233) to P: in MSUD1A; no effect on solubility; no effect on mitochondrial alpha-ketoglutarate dehydrogenase complex assembly; loss of 3-methyl-2-oxobutanoate dehydrogenase activity; dbSNP:rs398123508
G290 (= G238) to R: in MSUD1A; no effect on solubility; no effect on mitochondrial alpha-ketoglutarate dehydrogenase complex assembly; decreased 3-methyl-2-oxobutanoate dehydrogenase activity; dbSNP:rs137852871
R297 (= R245) to H: in MSUD1A; uncertain significance; decreased affinity for the cofactor thiamine diphosphate; decreased 3-methyl-2-oxobutanoate dehydrogenase activity; dbSNP:rs200137189
T310 (= T258) to R: in MSUD1A; decreased solubility; changed mitochondrial alpha-ketoglutarate dehydrogenase complex assembly; loss of 3-methyl-2-oxobutanoate dehydrogenase activity; dbSNP:rs137852875
I326 (= I274) to T: in MSUD1A; decreased 3-methyl-2-oxobutanoate dehydrogenase activity
H336 (= H284) binding
S337 (= S285) modified: Phosphoserine; by BCKDK; mutation to A: Substantially decreases the stability of the BCKD complex.
S347 (= S295) mutation to A: Does not affect the stability of the BCKD complex.
F409 (≠ I356) to C: in MSUD1A; decreased solubility; loss of mitochondrial alpha-ketoglutarate dehydrogenase complex assembly; loss of 3-methyl-2-oxobutanoate dehydrogenase activity; dbSNP:rs137852872
Y413 (= Y360) to C: in MSUD1A; uncertain significance; decreased solubility; changed mitochondrial alpha-ketoglutarate dehydrogenase complex assembly; loss of 3-methyl-2-oxobutanoate dehydrogenase activity; dbSNP:rs398123508
Y438 (= Y385) to N: in MSUD1A; decreased solubility; loss of mitochondrial alpha-ketoglutarate dehydrogenase complex assembly; loss of 3-methyl-2-oxobutanoate dehydrogenase activity; dbSNP:rs137852870

Sites not aligning to the query:

1:45 modified: transit peptide, Mitochondrion

2bffA Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch (see paper)
49% identity, 93% coverage: 24:386/392 of query aligns to 26:386/392 of 2bffA

query
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active site: E71 (≠ G69), S157 (= S155), R282 (= R280), H286 (= H284), S287 (= S285), Y295 (= Y293)
binding manganese (ii) ion: E188 (= E186), N217 (= N215), Y219 (= Y217)
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 (= Q105), Y108 (= Y106), R109 (= R107), L159 (= L157), G187 (= G185), E188 (= E186), G189 (= G187), A190 (= A188), R215 (= R213), N217 (= N215), Y219 (= Y217), A220 (= A218), I221 (= I219), H286 (= H284)

2bewA Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch (see paper)
49% identity, 93% coverage: 24:386/392 of query aligns to 26:384/390 of 2bewA

query
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Q

E

S

H

Y

Y

P

P

active site: E71 (≠ G69), S157 (= S155), R282 (= R280), H286 (= H284), S287 (= S285), Y295 (= Y293)
binding manganese (ii) ion: E188 (= E186), N217 (= N215), Y219 (= Y217), A220 (= A218)
binding c2-1-hydroxyphenyl-thiamin diphosphate: M82 (= M80), Q107 (= Q105), Y108 (= Y106), R109 (= R107), L159 (= L157), G187 (= G185), E188 (= E186), G189 (= G187), A190 (= A188), R215 (= R213), N217 (= N215), Y219 (= Y217), A220 (= A218), I221 (= I219), H286 (= H284)

2bevA Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch (see paper)
49% identity, 93% coverage: 24:386/392 of query aligns to 26:384/390 of 2bevA

query
sites
2bevA

I

I

P

P

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A

A

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N

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active site: E71 (≠ G69), S157 (= S155), R282 (= R280), H286 (= H284), S287 (= S285), Y295 (= Y293)
binding manganese (ii) ion: E188 (= E186), N217 (= N215), Y219 (= Y217), A220 (= A218)
binding c2-1-hydroxy-2-methyl-butyl-thiamin diphosphate: F80 (= F78), Q107 (= Q105), Y108 (= Y106), R109 (= R107), S157 (= S155), L159 (= L157), G187 (= G185), E188 (= E186), G189 (= G187), A190 (= A188), R215 (= R213), N217 (= N215), Y219 (= Y217), A220 (= A218), I221 (= I219), H286 (= H284)

2beuA Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch (see paper)
49% identity, 93% coverage: 24:386/392 of query aligns to 26:384/390 of 2beuA

query
sites
2beuA

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A

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S

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E

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D

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A

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T

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K

E

C

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R

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S

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Y

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-

E

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A

D

E

E

A

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D

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A

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W

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R

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Q

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A

E

A

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A

A

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K

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P

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N

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P

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N

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Y

D

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K

E

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T

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A

A

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Q

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E

E

S

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A

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active site: E71 (≠ G69), S157 (= S155), R282 (= R280), H286 (= H284), S287 (= S285), Y295 (= Y293)
binding manganese (ii) ion: E188 (= E186), N217 (= N215), Y219 (= Y217), A220 (= A218)
binding c2-1-hydroxy-3-methyl-propyl-thiamin diphosphate: Q107 (= Q105), Y108 (= Y106), R109 (= R107), S157 (= S155), L159 (= L157), G187 (= G185), E188 (= E186), G189 (= G187), A190 (= A188), R215 (= R213), N217 (= N215), Y219 (= Y217), A220 (= A218), I221 (= I219), H286 (= H284)

P11960 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 Rattus norvegicus (Rat) (see paper)
49% identity, 93% coverage: 24:386/392 of query aligns to 72:435/441 of P11960

query
sites
P11960

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A

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A

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A

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N

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I

A

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Y

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E

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A

A

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S

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E

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D

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H

A

A

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G

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N

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A

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P

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I

A

A

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A

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G

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Y

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M

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I

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D

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N

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A

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A

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A

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E

A

A

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A

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A

A

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A

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E

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N

A

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P

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L

I

I

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E

A

A

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G

A

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H

H

S
|
S

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S

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D

P

S

S

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G

A

Y

Y

R

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H

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A

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A

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D

V

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E

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M

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A

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S333 (= S285) modified: Phosphoserine; by BCKDK

1wciA Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch (see paper)
49% identity, 93% coverage: 24:386/392 of query aligns to 26:382/388 of 1wciA

query
sites
1wciA

I

I

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P

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x
E

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G

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T

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A

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Y

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A

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H

Y

Y

G

G

C

C

A

K

A

E

L

R

N

H

Y

F

Q

V

T

T

I

I

S

S

S
|
S

P

P

L
|
L

A

A

T

T

Q

Q

I

I

P

P

Q

Q

A

A

T

V

G

G

V

A

G

A

Y

Y

S

A

L

A

K

K

M

R

Q

A

G

N

K

A

R

N

N

R

V

V

A

V

V

I

C

C

Y

Y

F

F

G
|
G

E
|
E

G
|
G

A
|
A

A

A

S

S

E

E

G

G

D

D

F

A

H

H

A

A

G

G

L

F

N

N

M

F

A

A

V

T

L

L

K

E

C

C

P

P

V

I

I

I

F

F

C

C

R
|
R

N

N

N
|
N

G

G

Y
|
Y

A
|
A

I
|
I

S

S

T

T

P

P

T

T

E

S

E

E

Q

Q

F

Y

A

R

G

G

N

D

G

G

I

I

A

A

S

A

R

R

G

G

V

P

G

G

Y

Y

G

G

M

I

H

M

T

S

I

I

R

R

V

V

D

D

G

G

N

N

D

D

M

V

L

F

A

A

V

V

L

Y

A

N

A

A

T

T

Q

K

Q

E

A

A

R

R

A

R

Y

R

A

A

I

V

E

A

H

E

N

N

A

Q

P

P

V

F

L

L

I

I

E

E

A

A

M

M

T

T

Y

Y

R
|
R

L

I

G

G

A

H

H
|
H

S
|
S

S

T

S

S

D

D

P

S

S

S

G

A

Y
|
Y

R

R

S

-

K

-

E

-

A

-

K

-

W

W

Q

D

Q

K

H

Q

D

D

-

H

P

P

V

I

K

S

R

R

F

L

K

R

L

H

W

Y

L

L

I

L

N

S

K

Q

G

G

W

W

L

W

A

D

E

E

A

E

D

Q

D

E

A

K

Q

A

R

W

Y

R

E

K

K

Q

Y

S

R

R

E

R

E

K

V

V

L

M

A

E

A

A

V

F

K

E

V

Q

A

A

E

E

K

R

L

K

P

P

I

K

P

P

M

N

L

P

D

N

E

L

I

L

I

F

E

S

D

D

V

V

Y

Y

D

Q

K

E

P

M

T

P

P

A

A

Q

L

L

K

R

K

K

Q

Q

L

Q

S

E

E

S

L

L

K

A

E

R

H

H

I

L

K

Q

K

T

Y

Y

P

G

Q

E

S

H

Y

Y

P

P

active site: E71 (≠ G69), S157 (= S155), R282 (= R280), H286 (= H284), S287 (= S285), Y295 (= Y293)
binding manganese (ii) ion: E188 (= E186), N217 (= N215), Y219 (= Y217), A220 (= A218)
binding c2-1-hydroxy-3-methyl-butyl-thiamin: Q107 (= Q105), Y108 (= Y106), R109 (= R107), L159 (= L157), G187 (= G185), E188 (= E186), G189 (= G187), A190 (= A188), R215 (= R213), N217 (= N215), Y219 (= Y217), A220 (= A218), I221 (= I219), H286 (= H284)

1dtwA Human branched-chain alpha-keto acid dehydrogenase (see paper)
49% identity, 93% coverage: 24:386/392 of query aligns to 25:376/382 of 1dtwA

query
sites
1dtwA

I

I

P

P

I

I

L

Y

R

R

I

V

L

M

Q

D

A

R

D

Q

G

G

T

Q

T

I

Y

I

E

N

T

P

A

S

V

E

L

D

P

P

V

H

I

L

D

P

E

K

A

E

L

K

A

V

T

L

K

K

I

L

Y

Y

D

K

T

S

C

M

V

T

F

L

T

L

R

N

V

T

L

M

D

D

E

R

R

I

M

L

L

Y

G
x
E

A

S

Q

Q

R

R

Q

Q

G

G

R

R

I

I

S

S

F

F

Y

Y

M

M

T

T

C

N

T

Y

G

G

E

E

A

G

A

T

I

H

V

V

G

G

S

S

V

A

A

A

L

L

D

D

Q

N

E

T

D

D

V

L

I

V

L

F

A

G

Q
|
Q

Y
|
Y

R
|
R

E

E

H

A

A

G

A

V

L

L

R

M

Y

Y

R

R

G

D

F

Y

T

P

T

L

E

E

Q

L

F

F

M

M

N

A

Q

Q

M

C

F

Y

S

G

N

N

E

I

K

S

D

D

L

L

G

G

K

K

G

G

R

R

Q

Q

M

M

P

P

I

V

H

H

Y

Y

G

G

C

C

A

K

A

E

L

R

N

H

Y

F

Q

V

T

T

I

I

S
|
S

P
|
P

L
|
L

A

A

T
|
T

Q
|
Q

I

I

P

P

Q

Q

A

A

T

V

G

G

V

A

G

A

Y

Y

S

A

L

A

K

K

M

R

Q

A

G

N

K

A

R

N

N

R

V

V

A

V

V

I

C

C

Y

Y

F

F

G
|
G

E
|
E

G
|
G

A
|
A

A

A

S

S

E

E

G

G

D

D

F

A

H

H

A

A

G

G

L

F

N

N

M

F

A

A

V

T

L

L

K

E

C

C

P

P

V

I

I

I

F

F

C

C

R
|
R

N

N

N
|
N

G

G

Y
|
Y

A
|
A

I
|
I

S

S

T

T

P

P

T

T

E

S

E

E

Q

Q

F

Y

A

R

G

G

N

D

G

G

I

I

A

A

S

A

R

R

G

G

V

P

G

G

Y

Y

G

G

M

I

H

M

T

S

I

I

R

R

V

V

D

D

G

G

N

N

D

D

M

V

L

F

A

A

V

V

L

Y

A

N

A

A

T

T

Q

K

Q

E

A

A

R

R

A

R

Y

R

A

A

I

V

E

A

H

E

N

N

A

Q

P

P

V

F

L

L

I

I

E

E

A

A

M

M

T

T

Y

Y

R
|
R

L

I

G

G

A

H

H
|
H

S
|
S

S

T

S

S

D

D

P

S

S

S

G

A

Y
|
Y

R

R

S

H

K

-

E

-

A

-

K

-

W

-

Q

-

H

-

D

-

P

P

V

I

K

S

R

R

F

L

K

R

L

H

W

Y

L

L

I

L

N

S

K

Q

G

G

W

W

L

W

A

D

E

E

A

E

D

Q

D

E

A

K

Q

A

R

W

Y

R

E

K

K

Q

Y

S

R

R

E

R

E

K

V

V

L

M

A

E

A

A

V

F

K

E

V

Q

A

A

E

E

K

R

L

K

P

P

I

K

P

P

M

N

L

P

D

N

E

L

I

L

I

F

E

S

D

D

V

V

Y

Y

D

Q

K

E

P

M

T

P

P

A

A

Q

L

L

K

R

K

K

Q

Q

L

Q

S

E

E

S

L

L

K

A

E

R

H

H

I

L

K

Q

K

T

Y

Y

P

G

Q

E

S

H

Y

Y

P

P

active site: E70 (≠ G69), S156 (= S155), R281 (= R280), H285 (= H284), S286 (= S285), Y294 (= Y293)
binding potassium ion: S155 (= S154), S156 (= S155), P157 (= P156), T160 (= T159), Q161 (= Q160)
binding magnesium ion: E187 (= E186), N216 (= N215), Y218 (= Y217)
binding thiamine diphosphate: Q106 (= Q105), Y107 (= Y106), R108 (= R107), L158 (= L157), G186 (= G185), E187 (= E186), G188 (= G187), A189 (= A188), R214 (= R213), N216 (= N215), Y218 (= Y217), A219 (= A218), I220 (= I219), H285 (= H284)

1v1mA Crosstalk between cofactor binding and the phosphorylation loop conformation in the bckd machine (see paper)
47% identity, 93% coverage: 24:386/392 of query aligns to 26:366/372 of 1v1mA

query
sites
1v1mA

I

I

P

P

I

I

L

Y

R

R

I

V

L

M

Q

D

A

R

D

Q

G

G

T

Q

T

I

Y

I

E

N

T

P

A

S

V

E

L

D

P

P

V

H

I

L

D

P

E

K

A

E

L

K

A

V

T

L

K

K

I

L

Y

Y

D

K

T

S

C

M

V

T

F

L

T

L

R

N

V

T

L

M

D

D

E

R

R

I

M

L

L

Y

G
x
E

A

S

Q

Q

R

R

Q

Q

G

G

R

R

I

I

S

S

F

F

Y

Y

M

M

T

T

C

N

T

Y

G

G

E

E

A

G

A

T

I

H

V

V

G

G

S

S

V

A

A

A

L

L

D

D

Q

N

E

T

D

D

V

L

I

V

L

F

A

G

Q

Q

Y

Y

R
|
R

E

E

H

A

A

G

A

V

L

L

R

M

Y

Y

R

R

G

D

F

Y

T

P

T

L

E

E

Q

L

F

F

M

M

N

A

Q

Q

M

C

F

Y

S

G

N

N

E

I

K

S

D

D

L

L

G

G

K

K

G

G

R

R

Q

Q

M

M

P

P

I

V

H

H

Y

Y

G

G

C

C

A

K

A

E

L

R

N

H

Y

F

Q

V

T

T

I

I

S

S

S
|
S

P

P

L
|
L

A

A

T

T

Q

Q

I

I

P

P

Q

Q

A

A

T

V

G

G

V

A

G

A

Y

Y

S

A

L

A

K

K

M

R

Q

A

G

N

K

A

R

N

N

R

V

V

A

V

V

I

C

C

Y

Y

F

F

G
|
G

E
|
E

G
|
G

A
|
A

A

A

S

S

E

E

G

G

D

D

F

A

H

H

A

A

G

G

L

F

N

N

M

F

A

A

V

T

L

L

K

E

C

C

P

P

V

I

I

I

F

F

C

C

R
|
R

N

N

N
|
N

G

G

Y
|
Y

A
|
A

I
|
I

S

S

T

T

P

P

T

T

E

S

E

E

Q

Q

F

Y

A

R

G

G

N

D

G

G

I

I

A

A

S

A

R

R

G

G

V

P

G

G

Y

Y

G

G

M

I

H

M

T

S

I

I

R

R

V

V

D

D

G

G

N

N

D

D

M

V

L

F

A

A

V

V

L

Y

A

N

A

A

T

T

Q

K

Q

E

A

A

R

R

A

R

Y

R

A

A

I

V

E

A

H

E

N

N

A

Q

P

P

V

F

L

L

I

I

E

E

A

A

M

M

T

T

Y

Y

R
|
R

L

I

G

G

A

D

H

H

S

-

D

-

P

-

S

-

G

-

Y

-

R

-

S

-

K

-

E

-

A

-

K

-

W

-

Q

-

H

-

D

-

P

P

V

I

K

S

R

R

F

L

K

R

L

H

W

Y

L

L

I

L

N

S

K

Q

G

G

W

W

L

W

A

D

E

E

A

E

D

Q

D

E

A

K

Q

A

R

W

Y

R

E

K

K

Q

Y

S

R

R

E

R

E

K

V

V

L

M

A

E

A

A

V

F

K

E

V

Q

A

A

E

E

K

R

L

K

P

P

I

K

P

P

M

N

L

P

D

N

E

L

I

L

I

F

E

S

D

D

V

V

Y

Y

D

Q

K

E

P

M

T

P

P

A

A

Q

L

L

K

R

K

K

Q

Q

L

Q

S

E

E

S

L

L

K

A

E

R

H

H

I

L

K

Q

K

T

Y

Y

P

G

Q

E

S

H

Y

Y

P

P

active site: E71 (≠ G69), S157 (= S155), R282 (= R280)
binding manganese (ii) ion: E188 (= E186), N217 (= N215), Y219 (= Y217)
binding thiamine diphosphate: R109 (= R107), L159 (= L157), G187 (= G185), E188 (= E186), G189 (= G187), A190 (= A188), R215 (= R213), N217 (= N215), Y219 (= Y217), A220 (= A218), I221 (= I219)

1oluA Roles of his291-alpha and his146-beta' in the reductive acylation reaction catalyzed by human branched-chain alpha-ketoacid dehydrogenase (see paper)
46% identity, 95% coverage: 16:386/392 of query aligns to 10:360/366 of 1oluA

query
sites
1oluA

F

F

L

I

D

D

K

K

A

L

S

E

L

F

-

I

-

Q

-

P

-

N

H

G

I

I

P

P

I

I

L

Y

R

R

I

V

L

M

Q

D

A

R

D

Q

G

G

T

Q

T

I

Y

I

E

N

T

P

A

S

V

E

L

D

P

P

V

H

I

L

D

P

E

K

A

E

L

K

A

V

T

L

K

K

I

L

Y

Y

D

K

T

S

C

M

V

T

F

L

T

L

R

N

V

T

L

M

D

D

E

R

R

I

M

L

L

Y

G
x
E

A

S

Q

Q

R

R

Q

Q

G

G

R

R

I

I

S

S

F

F

Y

Y

M

M

T

T

C

N

T

Y

G

G

E

E

A

G

A

T

I

H

V

V

G

G

S

S

V

A

A

A

L

L

D

D

Q

N

E

T

D

D

V

L

I

V

L

F

A

G

Q

Q

Y

Y

R
|
R

E

E

H

A

A

G

A

V

L

L

R

M

Y

Y

R

R

G

D

F

Y

T

P

T

L

E

E

Q

L

F

F

M

M

N

A

Q

Q

M

C

F

Y

S

G

N

N

E

I

K

S

D

D

L

L

G

G

K

K

G

G

R

R

Q

Q

M

M

P

P

I

V

H

H

Y

Y

G

G

C

C

A

K

A

E

L

R

N

H

Y

F

Q

V

T

T

I

I

S

S

S
|
S

P

P

L
|
L

A

A

T

T

Q

Q

I

I

P

P

Q

Q

A

A

T

V

G

G

V

A

G

A

Y

Y

S

A

L

A

K

K

M

R

Q

A

G

N

K

A

R

N

N

R

V

V

A

V

V

I

C

C

Y

Y

F

F

G
|
G

E
|
E

G
|
G

A
|
A

A

A

S

S

E

E

G

G

D

D

F

A

H

H

A

A

G

G

L

F

N

N

M

F

A

A

V

T

L

L

K

E

C

C

P

P

V

I

I

I

F

F

C

C

R

R

N

N

N
|
N

G

G

Y
|
Y

A
|
A

I
|
I

S

S

T

T

P

P

T

T

E

S

E

E

Q

Q

F

Y

A

R

G

G

N

D

G

G

I

I

A

A

S

A

R

R

G

G

V

P

G

G

Y

Y

G

G

M

I

H

M

T

S

I

I

R

R

V

V

D

D

G

G

N

N

D

D

M

V

L

F

A

A

V

V

L

Y

A

N

A

A

T

T

Q

K

Q

E

A

A

R

R

A

R

Y

R

A

A

I

V

E

A

H

E

N

N

A

Q

P

P

V

F

L

L

I

I

E

E

A

A

M

M

T

T

Y

Y

R
|
R

L

-

G

-

A

-

H

-

S

-

D

-

P

-

S

-

G

-

Y

-

R

-

S

-

K

-

E

-

A

-

K

-

W

-

Q

-

H

D

D

H

P

P

V

I

K

S

R

R

F

L

K

R

L

H

W

Y

L

L

I

L

N

S

K

Q

G

G

W

W

L

W

A

D

E

E

A

E

D

Q

D

E

A

K

Q

A

R

W

Y

R

E

K

K

Q

Y

S

R

R

E

R

E

K

V

V

L

M

A

E

A

A

V

F

K

E

V

Q

A

A

E

E

K

R

L

K

P

P

I

K

P

P

M

N

L

P

D

N

E

L

I

L

I

F

E

S

D

D

V

V

Y

Y

D

Q

K

E

P

M

T

P

P

A

A

Q

L

L

K

R

K

K

Q

Q

L

Q

S

E

E

S

L

L

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A

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H

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Q

K

T

Y

Y

P

G

Q

E

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H

Y

Y

P

P

active site: E67 (≠ G69), S153 (= S155), R278 (= R280)
binding magnesium ion: E184 (= E186), N213 (= N215), Y215 (= Y217)
binding thiamine diphosphate: R105 (= R107), L155 (= L157), G183 (= G185), E184 (= E186), G185 (= G187), A186 (= A188), N213 (= N215), A216 (= A218), I217 (= I219)

2bfcA Reactivity modulation of human branched-chain alpha-ketoacid dehydrogenase by an internal molecular switch (see paper)
46% identity, 93% coverage: 24:386/392 of query aligns to 26:365/371 of 2bfcA

query
sites
2bfcA

I

I

P

P

I

I

L

Y

R

R

I

V

L

M

Q

D

A

R

D

Q

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I

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P

V

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I

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D

P

E

K

A

E

L

K

A

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L

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K

I

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Y

D

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C

M

V

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F

L

T

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N

V

T

L

M

D

D

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R

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M

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L

Y

G
x
E

A

S

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Q

R

R

Q

Q

G

G

R

R

I

I

S

S

F

F

Y

Y

M

M

T

T

C

N

T

Y

G

G

E

E

A

G

A

T

I

H

V

V

G

G

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S

V

A

A

A

L

L

D

D

Q

N

E

T

D

D

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I

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L

F

A

G

Q

Q

Y

F

R
|
R

E

E

H

A

A

G

A

V

L

L

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M

Y

Y

R

R

G

D

F

Y

T

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T

L

E

E

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L

F

F

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M

N

A

Q

Q

M

C

F

Y

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G

N

N

E

I

K

S

D

D

L

L

G

G

K

K

G

G

R

R

Q

Q

M

M

P

P

I

V

H

H

Y

Y

G

G

C

C

A

K

A

E

L

R

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F

Q

V

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T

I

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S
|
S

P

P

L
|
L

A

A

T

T

Q

Q

I

I

P

P

Q

Q

A

A

T

V

G

G

V

A

G

A

Y

Y

S

A

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A

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K

M

R

Q

A

G

N

K

A

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N

N

R

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V

A

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I

C

C

Y

Y

F

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G

E
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E

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A

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A

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S

E

E

G

G

D

D

F

A

H

H

A

A

G

G

L

F

N

N

M

F

A

A

V

T

L

L

K

E

C

C

P

P

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I

I

I

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F

C

C

R
|
R

N

N

N
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N

G

G

Y
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Y

A
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A

I
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I

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S

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T

P

P

T

T

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S

E

E

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Q

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Y

A

R

G

G

N

D

G

G

I

I

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A

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A

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G

G

Y

Y

G

G

M

I

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M

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S

I

I

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R

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V

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D

G

G

N

N

D

D

M

V

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F

A

A

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V

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Y

A

N

A

A

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T

Q

K

Q

E

A

A

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R

A

R

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R

A

A

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A

H

E

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N

A

Q

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P

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L

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I

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A

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R
|
R

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I

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D

A

-

H

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-

S

-

G

-

Y

-

R

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-

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-

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-

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-

H

-

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H

P

P

V

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F

L

K

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Y

L

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I

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N

S

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G

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W

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D

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E

A

E

D

Q

D

E

A

K

Q

A

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E

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K

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Y

S

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R

E

R

E

K

V

V

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M

A

E

A

A

V

F

K

E

V

Q

A

A

E

E

K

R

L

K

P

P

I

K

P

P

M

N

L

P

D

N

E

L

I

L

I

F

E

S

D

D

V

V

Y

Y

D

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K

E

P

M

T

P

P

A

A

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L

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K

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Q

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E

E

S

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A

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Y

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Q

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H

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Y

P

P

active site: E71 (≠ G69), S157 (= S155), R282 (= R280)
binding manganese (ii) ion: E188 (= E186), N217 (= N215), Y219 (= Y217)
binding 2-{3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-2-oxo-2,3-dihydro-1,3-thiazol-5-yl}ethyl trihydrogendiphosphate: R109 (= R107), L159 (= L157), G187 (= G185), E188 (= E186), G189 (= G187), A190 (= A188), R215 (= R213), N217 (= N215), Y219 (= Y217), A220 (= A218), I221 (= I219)

3dufA Snapshots of catalysis in the e1 subunit of the pyruvate dehydrogenase multi-enzyme complex (see paper)
36% identity, 93% coverage: 17:380/392 of query aligns to 10:365/365 of 3dufA

query
sites
3dufA

L

L

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E

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K

A

V

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A

L

E

H

Q

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F

P

P

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T

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I

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N

A

E

D

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G

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V

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N

T

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A

E

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A

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K

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V

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T

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I

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L

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D

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x
S

A

L

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N

R

R

Q

Q

G

G

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R

I

L

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G

F

F

Y

Y

M

A

T

P

C

T

T

A

G

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E

E

A

A

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I

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V

I

G

A

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H

A

F

A

A

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L

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Q

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E

E

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D

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F

I

I

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|
Y

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R

E

D

H

V

A

P

A

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L

I

R

I

Y

W

R

H

G

G

F

L

T

P

T

-

E

-

Q

-

F

-

M

L

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Y

Q

Q

M

A

F

F

S

L

N

F

E

S

K

R

D

G

L

H

G

F

K

H

G

G

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N

Q

Q

M

I

P

P

I

-

H

-

Y

E

G

G

C

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A

N

A

V

L

L

N

P

Y

P

Q

Q

T
x
I

I

I

S

-

P

-

L
x
I

A

G

T

A

Q

Q

I

Y

P

I

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Q

A

A

T

A

G

G

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V

G

A

Y

L

S

G

L

L

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M

M

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G

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R

K

N

A

V

V

A

A

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I

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Y

Y

F

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|
G

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x
D

G
|
G

A

G

A

T

S

S

E

Q

G

G

D

D

F

F

H

Y

A

E

G

G

L

I

N

N

M

F

A

A

A

G

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A

L

F

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K

C

A

P

P

V

A

I

I

F

F

F

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C

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Q

N

N

N
|
N

G

R

Y
x
F

A
|
A

I

I

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S

T

T

P

P

T

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E

E

E

K

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A

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A

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G

A

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V

G

A

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A

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M

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I

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V

V

D

D

G

G

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M

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D

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L

L

A

A

V

V

L

Y

A

A

T

V

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K

Q

A

A

A

R

R

A

E

Y

R

A

A

I

I

E

N

H

G

N

E

A

G

P

P

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T

L

L

I

I

E

E

A

T

M

L

T

C

Y

F

R
|
R

L

Y

G

G

A

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H
|
H

S
x
T

-

M

S

S

S

G

D

D

P

P

S

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G

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Y
|
Y

R

R

S

S

K

K

E

E

E

L

E

E

A

N

K

E

W

W

Q

A

Q

K

H

K

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D

P

P

V

L

K

V

R

R

F

F

K

R

L

K

W

F

L

L

I

E

N

A

K

K

G

G

W

L

L

W

A

S

E

E

A

E

D

E

A

N

Q

N

R

V

Y

I

E

E

K

Q

Y

A

R

K

E

E

V

I

L

K

A

E

A

A

V

I

K

K

V

K

A

A

E

D

K

E

L

T

P

P

I

K

P

Q

M

K

L

V

D

T

E

D

I

L

I

I

E

S

D

I

V

M

Y

F

D

E

K

E

P

L

T

P

P

F

A

N

L

L

K

K

K

E

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Q

L

Y

S

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K

E

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S

K

K

active site: S62 (≠ G69), I139 (≠ T152), R264 (= R280), H268 (= H284), T269 (≠ S285), Y278 (= Y293)
binding magnesium ion: D170 (≠ E186), N199 (= N215), F201 (≠ Y217)
binding 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1r)-1-hydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate: Y99 (= Y106), R100 (= R107), I141 (≠ L157), G169 (= G185), D170 (≠ E186), G171 (= G187), N199 (= N215), F201 (≠ Y217), A202 (= A218), H268 (= H284)

1qs0A Crystal structure of pseudomonas putida 2-oxoisovalerate dehydrogenase (branched-chain alpha-keto acid dehydrogenase, e1b) (see paper)
37% identity, 91% coverage: 18:374/392 of query aligns to 45:407/407 of 1qs0A

query
sites
1qs0A

D

D

K

T

A

A

S

D

L

L

H

S

I

Y

P

S

I

L

L

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R

R

I

V

L

L

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D

A

E

D

Q

G

G

T

D

T

A

Y

-

E

Q

T

G

A

P

V

W

L

A

P

E

V

D

I

I

D

D

E

P

A

Q

L

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A

L

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Y

M

D

R

T

A

C

M

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L

F

K

T

T

R

R

V

I

L

F

D

D

E

S

R

R

M

M

L

V

G
x
V

A

A

Q

Q

R

R

Q

Q

G

K

R

K

I

M

S

S

F

F

Y

Y

M

M

T

Q

C

S

T

L

G

G

E

E

A

A

A

I

I

G

V

S

G

G

S

Q

V

A

A

L

A

A

L

L

D

N

Q

R

E

T

D

D

V

M

I

C

L

F

A

P

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T

Y
|
Y

R
|
R

E

Q

H

Q

A

S

A

I

L

L

R

M

Y

A

R

R

G

D

F

V

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S

T

L

E

V

Q

E

F

M

M

I

N

C

Q

Q

M

L

F

L

S

S

N

N

E

E

K

R

D

D

L

P

G

L

K

K

G

G

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R

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Q

M

L

P

P

I

I

H

M

Y

Y

G

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C

V

A

R

A

E

L

A

N

G

Y

F

Q

F

T

T

I

I

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S

S
x
G

P

N

L
|
L

A

A

T

T

Q

Q

I

F

P

V

Q

Q

A

A

T

V

G

G

V

W

G

A

Y

M

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A

L

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A

M

I

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K

G

G

K

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N

K

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A

A

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S

C

A

Y

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F

I

G
|
G

E
x
D

G
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G

A
|
A

A

T

S

A

E

E

G

S

D

D

F

F

H

H

A

T

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A

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L

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T

M

F

A

A

A

H

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C

A

P

P

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I

I

F

L

F

N

C

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V

N

N

N
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N

G

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x
W

A
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A

I
|
I

S

S

T

-

P

-

T

T

E

F

E

Q

Q

A

F

I

A

A

G

G

-

G

-

E

-

S

N

T

G

T

I

F

A

A

S

G

R

R

G

G

V

V

G

G

Y

C

G

G

M

I

H

A

T

S

I

L

R

R

V

V

D

D

G

G

N

N

D

D

M

F

L

V

A

A

V

V

L

Y

A

A

T

S

Q

R

Q

W

A

A

R

A

A

E

Y

R

A

A

I

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E

R

H

G

N

L

A

G

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P

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L

L

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I

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A

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Y

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R

L

A

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G

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H

S
|
S

S

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S

S

D

D

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P

S

S

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Y
|
Y

R

R

S

P

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A

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D

E

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A

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H

W

F

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P

Q

L

H

G

D

D

P

P

V

I

K

A

R

R

F

L

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K

L

Q

W

H

L

L

I

I

N

K

K

I

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G

W

H

L

W

A

S

E

E

A

E

D

E

D

H

A

Q

Q

A

R

T

Y

T

E

A

K

E

Y

F

R

E

E

A

V

V

L

I

A

A

V

Q

K

K

V

E

A

A

E

E

K

Q

L

Y

P

G

-

T

-

L

-

A

-

N

-

G

-

H

I

I

P

P

M

S

L

A

D

A

E

S

I

M

I

F

E

E

D

D

V

V

Y

Y

D

K

K

E

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A

H

L

L

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Q

L

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Q

E

E

L

L

active site: V95 (≠ G69), G181 (≠ S155), R307 (= R280), H311 (= H284), S312 (= S285), Y320 (= Y293)
binding magnesium ion: D212 (≠ E186), N241 (= N215), W243 (≠ Y217)
binding thiamine diphosphate: Y132 (= Y106), R133 (= R107), L183 (= L157), G211 (= G185), D212 (≠ E186), G213 (= G187), A214 (= A188), N241 (= N215), W243 (≠ Y217), A244 (= A218), I245 (= I219), H311 (= H284)

1w85A The crystal structure of pyruvate dehydrogenase e1 bound to the peripheral subunit binding domain of e2 (see paper)
36% identity, 92% coverage: 17:376/392 of query aligns to 10:355/358 of 1w85A

query
sites
1w85A

L

L

D

E

K

K

A

V

S

A

L

E

H

Q

I

F

P

P

I

T

L

F

R

Q

I

I

L

L

Q

N

A

E

D

E

G

G

T

E

T

V

Y

V

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N

T

E

A

E

V

A

L

M

P

P

V

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I

L

D

S

E

D

A

E

L

Q

A

L

T

K

K

E

I

L

Y

M

D

R

T

R

C

M

V

V

F

Y

T

T

R

R

V

I

L

L

D

D

E

Q

R

R

M

S

L

I

G
x
S

A

L

Q

N

R

R

Q

Q

G

G

R

R

I

L

S

G

F

F

Y

Y

M

A

T

P

C

T

T

A

G

G

E

Q

E

E

A

A

A

S

I

Q

V

I

G

A

S

S

V

H

A

F

A

A

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L

D

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Q

K

E

E

D

D

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F

I

I

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L

A

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Y

R
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R

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D

H

V

A

P

A

Q

L

I

R

I

Y

W

R

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G

G

F

L

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-

E

-

Q

-

F

-

M

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Y

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Q

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F

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K

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K

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Q

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L

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x
I

I

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-

P

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x
I

A

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Q

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G

V

V

G

A

Y

L

S

G

L

L

K

K

M

M

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G

K

K

R

K

N

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V

V

A

A

V

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C

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Y

F

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E
x
D

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|
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A
x
G

A

T

S

S

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G

G

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D

F

F

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Y

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N

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L

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K

K

C

A

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P

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A

I

I

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F

F

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C

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Q

N

N

N
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N

G

R

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x
F

A
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A

I
|
I

S

S

T

T

P

P

T

V

E

E

E

K

Q

Q

F

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A

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G

A

N

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L

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V

G

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Y

A

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M

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V

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D

G

G

N

M

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D

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L

L

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V

L

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A

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K

Q

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Y

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I

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N

H

G

N

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G

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L

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M

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R

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Y

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|
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x
T

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M

S

S

D

G

D

D

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-

S

-

G

-

Y

-

R

-

S

S

K

K

E

E

E

L

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A

N

K

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W

W

Q

A

Q

K

H

K

D

D

P

P

V

L

K

V

R

R

F

F

K

R

L

K

W

F

L

L

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N

A

K

K

G

G

W

L

L

W

A

S

E

E

A

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D

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A

N

Q

N

R

V

Y

I

E

E

K

Q

Y

A

R

K

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E

V

I

L

K

A

E

A

A

V

I

K

K

V

K

A

A

E

D

K

E

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T

P

P

I

K

P

Q

M

K

L

V

D

T

E

D

I

L

I

I

E

S

D

I

V

M

Y

F

D

E

K

E

P

L

T

P

P

F

A

N

L

L

K

K

K

E

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Q

L

Y

S

E

E

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Y

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E

E

active site: S62 (≠ G69), I139 (≠ T152), R264 (= R280), H268 (= H284), T269 (≠ S285)
binding magnesium ion: D170 (≠ E186), N199 (= N215), F201 (≠ Y217)
binding thiamine diphosphate: Y99 (= Y106), R100 (= R107), I139 (≠ T152), I141 (≠ L157), G169 (= G185), D170 (≠ E186), G171 (= G187), G172 (≠ A188), N199 (= N215), A202 (= A218), I203 (= I219), H268 (= H284)

1umdA Branched-chain 2-oxo acid dehydrogenase (e1) from thermus thermophilus hb8 with 4-methyl-2-oxopentanoate as an intermediate (see paper)
38% identity, 83% coverage: 52:378/392 of query aligns to 35:362/362 of 1umdA

query
sites
1umdA

K

R

I

L

Y

Y

D

R

T

D

C

M

V

L

F

A

T

A

R

R

V

M

L

L

D

D

E

E

R

R

M

Y

L

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G
x
I

A

L

Q

I

R

R

Q

T

G

G

R

K

I

T

S

S

F
|
F

Y

I

M

A

T

P

C

A

T

A

G

G

E

H

E

E

A

A

I

Q

V

V

G

A

S

I

V

A

A

H

A

A

L

I

D

R

Q

P

E

G

-

F

D

D

V

W

I

V

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A

P

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x
Y

Y
|
Y

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R

E

D

H

H

A

G

A

L

L

A

R

L

Y

A

R

L

G

G

F

I

T

P

T

L

E

K

Q

E

F

L

M

L

N

G

Q

Q

M

M

F

L

S

A

N

T

E

K

K

A

D

D

L

P

G

N

K

K

G

G

R

R

Q

Q

M

M

P

P

I

E

H

H

Y

P

G

G

C

S

A

K

A

A

L

L

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N

Y

F

Q

F

T

T

I

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S

A

S
|
S

P
|
P

L
x
I

A

A

T

S

Q

H

I

V

P

P

Q

P

A

A

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A

G

G

V

A

G

A

Y

I

S

S

L

M

K

K

M

L

Q

L

G

R

K

T

R

G

N

Q

V

V

A

A

V

V

C

C

Y

T

F

F

G
|
G

E
x
D

G
|
G

A

A

A

T

S

S

E

E

G

G

D

D

F

W

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Y

A

A

G

G

L

I

N

N

M

F

A

A

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V

L

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K

G

C

A

P

P

V

A

I

V

F

F

F

I

C

A

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E

N

N

N
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G

F

Y
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Y

A
|
A

I
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I

S

S

T

V

P

D

T

Y

E

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E

H

Q

Q

F

T

A

H

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N

P

G

T

I

I

A

A

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D

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K

G

A

V

H

G

A

Y

F

G

G

M

I

H

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T

G

I

Y

R

L

V

V

D

D

G

G

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M

D

D

M

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L

L

A

A

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S

L

Y

A

Y

A

V

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K

Q

E

A

A

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A

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Y

R

A

A

I

R

E

R

H

G

N

E

A

G

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P

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S

L

L

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V

E

E

A

L

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Y

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H

S
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Y
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Y

R

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P

K

K

E

E

E

V

A

A

K

F

W

W

Q

R

Q

K

H

K

D

D

P

P

V

I

K

P

R

R

F

F

K

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L

R

W

F

L

L

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E

N

A

K

R

G

G

W

L

L

W

A

N

E

E

A

E

D

W

D

E

A

E

Q

D

R

V

Y

R

E

E

K

E

Y

I

R

R

E

A

E

E

V

L

L

E

A

R

A

G

V

L

K

K

V

E

A

A

E

E

K

E

L

A

-

G

P

P

I

V

P

P

M

P

L

-

D

E

E

W

I

M

I

F

E

E

D

D

V

V

Y

F

D

A

K

E

P

K

T

P

P

W

A

H

L

L

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E

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K

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active site: I52 (≠ G69), S139 (= S155), R264 (= R280), H268 (= H284), S269 (= S285), Y277 (= Y293)
binding 2-oxo-4-methylpentanoic acid: F61 (= F78), Y90 (= Y106), S139 (= S155)
binding magnesium ion: D170 (≠ E186), N199 (= N215), Y201 (= Y217)
binding thiamine diphosphate: Y89 (≠ Q105), Y90 (= Y106), R91 (= R107), P140 (= P156), I141 (≠ L157), G169 (= G185), D170 (≠ E186), G171 (= G187), N199 (= N215), Y201 (= Y217), A202 (= A218), I203 (= I219), H268 (= H284)

1umcA Branched-chain 2-oxo acid dehydrogenase (e1) from thermus thermophilus hb8 with 4-methylpentanoate (see paper)
38% identity, 83% coverage: 52:378/392 of query aligns to 35:362/362 of 1umcA

query
sites
1umcA

K

R

I

L

Y

Y

D

R

T

D

C

M

V

L

F

A

T

A

R

R

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D

E

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x
I

A

L

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I

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Q

T

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G

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K

I

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S

F

F

Y

I

M

A

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C

A

T

A

G

G

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E

E

A

A

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V

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A

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A

A

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A

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Q

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E

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-

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x
Y

Y
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R
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R

E

D

H

H

A

G

A

L

L

A

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L

Y

A

R

L

G

G

F

I

T

P

T

L

E

K

Q

E

F

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M

L

N

G

Q

Q

M

M

F

L

S

A

N

T

E

K

K

A

D

D

L

P

G

N

K

K

G

G

R

R

Q

Q

M

M

P

P

I

E

H
|
H

Y

P

G

G

C

S

A

K

A

A

L

L

N

N

Y

F

Q

F

T

T

I

V

S

A

S
|
S

P

P

L
x
I

A

A

T

S

Q

H

I

V

P

P

Q

P

A

A

T

A

G

G

V

A

G

A

Y

I

S

S

L

M

K

K

M

L

Q

L

G

R

K

T

R

G

N

Q

V

V

A

A

V

V

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C

Y

T

F

F

G
|
G

E
x
D

G
|
G

A

A

A

T

S

S

E

E

G

G

D

D

F

W

H

Y

A

A

G

G

L

I

N

N

M

F

A

A

V

V

L

Q

K

G

C

A

P

P

V

A

I

V

F

F

F

I

C

A

R

E

N

N

N
|
N

G

F

Y
|
Y

A

A

I
|
I

S

S

T

V

P

D

T

Y

E

R

E

H

Q

Q

F

T

A

H

G

S

N

P

G

T

I

I

A

A

S

D

R

K

G

A

V

H

G

A

Y

F

G

G

M

I

H

P

T

G

I

Y

R

L

V

V

D

D

G

G

N

M

D

D

M

V

L

L

A

A

V

S

L

Y

A

Y

A

V

T

V

Q

K

Q

E

A

A

R

V

A

E

Y

R

A

A

I

R

E

R

H

G

N

E

A

G

P

P

V

S

L

L

I

V

E

E

A

L

M

R

T

V

Y

Y

R
|
R

L

Y

G

G

A

P

H
|
H

S
|
S

S

S

S

A

D

D

P

D

S

S

G

R

Y
|
Y

R

R

S

P

K

K

E

E

E

V

A

A

K

F

W

W

Q

R

Q

K

H

K

D

D

P

P

V

I

K

P

R

R

F

F

K

R

L

R

W

F

L

L

I

E

N

A

K

R

G

G

W

L

L

W

A

N

E

E

A

E

D

W

D

E

A

E

Q

D

R

V

Y

R

E

E

K

E

Y

I

R

R

E

A

E

E

V

L

L

E

A

R

A

G

V

L

K

K

V

E

A

A

E

E

K

E

L

A

-

G

P

P

I

V

P

P

M

P

L

-

D

E

E

W

I

M

I

F

E

E

D

D

V

V

Y

F

D

A

K

E

P

K

T

P

P

W

A

H

L

L

K

L

K

R

Q

Q

L

E

S

A

E

L

L

L

K

K

E

E

H

E

I

L

active site: I52 (≠ G69), S139 (= S155), R264 (= R280), H268 (= H284), S269 (= S285), Y277 (= Y293)
binding 4-methyl valeric acid: Y90 (= Y106), H126 (= H142)
binding magnesium ion: D170 (≠ E186), N199 (= N215), Y201 (= Y217)
binding thiamine diphosphate: Y89 (≠ Q105), Y90 (= Y106), R91 (= R107), I141 (≠ L157), G169 (= G185), D170 (≠ E186), G171 (= G187), N199 (= N215), Y201 (= Y217), I203 (= I219), H268 (= H284)

1umbA Branched-chain 2-oxo acid dehydrogenase (e1) from thermus thermophilus hb8 in holo-form (see paper)
38% identity, 83% coverage: 52:378/392 of query aligns to 35:362/362 of 1umbA

query
sites
1umbA

K

R

I

L

Y

Y

D

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T

D

C

M

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F

A

T

A

R

R

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D

D

E

E

R

R

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x
I

A

L

Q

I

R

R

Q

T

G

G

R

K

I

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S

S

F

F

Y

I

M

A

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C

A

T

A

G

G

E

H

E

E

A

A

I

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V

G

A

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I

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A

A

H

A

A

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R

Q

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E

G

-

F

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W

I

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x
Y

Y
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Y

R
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E

D

H

H

A

G

A

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L

A

R

L

Y

A

R

L

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G

F

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T

L

E

K

Q

E

F

L

M

L

N

G

Q

Q

M

M

F

L

S

A

N

T

E

K

K

A

D

D

L

P

G

N

K

K

G

G

R

R

Q

Q

M

M

P

P

I

E

H

H

Y

P

G

G

C

S

A

K

A

A

L

L

N

N

Y

F

Q

F

T

T

I

V

S

A

S
|
S

P
|
P

L
x
I

A

A

T

S

Q

H

I

V

P

P

Q

P

A

A

T

A

G

G

V

A

G

A

Y

I

S

S

L

M

K

K

M

L

Q

L

G

R

K

T

R

G

N

Q

V

V

A

A

V

V

C

C

Y

T

F

F

G
|
G

E
x
D

G
|
G

A

A

A

T

S

S

E

E

G

G

D

D

F

W

H

Y

A

A

G

G

L

I

N

N

M

F

A

A

V

V

L

Q

K

G

C

A

P

P

V

A

I

V

F

F

F

I

C

A

R

E

N

N

N
|
N

G

F

Y
|
Y

A
|
A

I
|
I

S

S

T

V

P

D

T

Y

E

R

E

H

Q

Q

F

T

A

H

G

S

N

P

G

T

I

I

A

A

S

D

R

K

G

A

V

H

G

A

Y

F

G

G

M

I

H

P

T

G

I

Y

R

L

V

V

D

D

G

G

N

M

D

D

M

V

L

L

A

A

V

S

L

Y

A

Y

A

V

T

V

Q

K

Q

E

A

A

R

V

A

E

Y

R

A

A

I

R

E

R

H

G

N

E

A

G

P

P

V

S

L

L

I

V

E

E

A

L

M

R

T

V

Y

Y

R
|
R

L

Y

G

G

A

P

H
|
H

S
|
S

S

S

S

A

D

D

P

D

S

S

G

R

Y
|
Y

R

R

S

P

K

K

E

E

E

V

A

A

K

F

W

W

Q

R

Q

K

H

K

D

D

P

P

V

I

K

P

R

R

F

F

K

R

L

R

W

F

L

L

I

E

N

A

K

R

G

G

W

L

L

W

A

N

E

E

A

E

D

W

D

E

A

E

Q

D

R

V

Y

R

E

E

K

E

Y

I

R

R

E

A

E

E

V

L

L

E

A

R

A

G

V

L

K

K

V

E

A

A

E

E

K

E

L

A

-

G

P

P

I

V

P

P

M

P

L

-

D

E

E

W

I

M

I

F

E

E

D

D

V

V

Y

F

D

A

K

E

P

K

T

P

P

W

A

H

L

L

K

L

K

R

Q

Q

L

E

S

A

E

L

L

L

K

K

E

E

H

E

I

L

active site: I52 (≠ G69), S139 (= S155), R264 (= R280), H268 (= H284), S269 (= S285), Y277 (= Y293)
binding magnesium ion: D170 (≠ E186), N199 (= N215), Y201 (= Y217)
binding thiamine diphosphate: Y89 (≠ Q105), Y90 (= Y106), R91 (= R107), P140 (= P156), I141 (≠ L157), G169 (= G185), D170 (≠ E186), G171 (= G187), N199 (= N215), Y201 (= Y217), A202 (= A218), I203 (= I219), H268 (= H284)

Q5SLR4 2-oxoisovalerate dehydrogenase subunit alpha; Branched-chain alpha-keto acid dehydrogenase E1 component alpha chain; BCKDH E1-alpha; EC 1.2.4.4 from Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8) (see paper)
38% identity, 83% coverage: 52:378/392 of query aligns to 40:367/367 of Q5SLR4

query
sites
Q5SLR4

K

R

I

L

Y

Y

D

R

T

D

C

M

V

L

F

A

T

A

R

R

V

M

L

L

D

D

E

E

R

R

M

Y

L

T

G

I

A

L

Q

I

R

R

Q

T

G

G

R

K

I

T

S

S

F
|
F

Y

I

M

A

T

P

C

A

T

A

G

G

E

H

E

E

A

A

I

Q

V

V

G

A

S

I

V

A

A

H

A

A

L

I

D

R

Q

P

E

G

-

F

D

D

V

W

I

V

L

F

A

P

Q
x
Y

Y
|
Y

R
|
R

E

D

H

H

A

G

A

L

L

A

R

L

Y

A

R

L

G

G

F

I

T

P

T

L

E

K

Q

E

F

L

M

L

N

G

Q

Q

M

M

F

L

S

A

N

T

E

K

K

A

D

D

L

P

G

N

K

K

G

G

R

R

Q

Q

M
|
M

P
|
P

I
x
E

H
|
H

Y

P

G

G

C

S

A

K

A

A

L

L

N

N

Y

F

Q

F

T

T

I

V

S

A

S
|
S

P
|
P

L
x
I

A

A

T

S

Q

H

I

V

P

P

Q

P

A

A

T

A

G

G

V

A

G

A

Y

I

S

S

L

M

K

K

M

L

Q

L

G

R

K

T

R

G

N

Q

V

V

A

A

V

V

C

C

Y

T

F

F

G
|
G

E
x
D

G
|
G

A
|
A

A
x
T

S
|
S

E
|
E

G

G

D

D

F

W

H

Y

A

A

G

G

L

I

N

N

M

F

A

A

V

V

L

Q

K

G

C

A

P

P

V

A

I

V

F

F

F

I

C

A

R

E

N

N

N
|
N

G
x
F

Y
|
Y

A
|
A

I
|
I

S

S

T

V

P

D

T

Y

E

R

E

H

Q

Q

F

T

A

H

G

S

N

P

G

T

I

I

A

A

S

D

R

K

G

A

V

H

G

A

Y

F

G

G

M

I

H

P

T

G

I

Y

R

L

V

V

D

D

G

G

N

M

D

D

M

V

L

L

A

A

V

S

L

Y

A

Y

A

V

T

V

Q

K

Q

E

A

A

R

V

A

E

Y

R

A

A

I

R

E

R

H

G

N

E

A

G

P

P

V

S

L

L

I

V

E

E

A

L

M

R

T

V

Y

Y

R

R

L

Y

G

G

A

P

H
|
H

S

S

S

A

D

D

P

D

S

S

G

R

Y

Y

R

R

S

P

K

K

E

E

E

V

A

A

K

F

W

W

Q

R

Q

K

H

K

D

D

P

P

V

I

K

P

R

R

F

F

K

R

L

R

W

F

L

L

I

E

N

A

K

R

G

G

W

L

L

W

A

N

E

E

A

E

D

W

D

E

A

E

Q

D

R

V

Y

R

E

E

K

E

Y

I

R

R

E

A

E

E

V

L

L

E

A

R

A

G

V

L

K

K

V

E

A

A

E

E

K

E

L

A

-

G

P

P

I

V

P

P

M

P

L

-

D

E

E

W

I

M

I

F

E

E

D

D

V

V

Y

F

D

A

K

E

P

K

T

P

P

W

A

H

L

L

K

L

K

R

Q

Q

L

E

S

A

E

L

L

L

K

K

E

E

H

E

I

L

F66 (= F78) binding
YYR 94:96 (≠ QYR 105:107) binding
Y95 (= Y106) binding
MPEH 128:131 (≠ MPIH 139:142) binding
S144 (= S155) binding
SPI 144:146 (≠ SPL 155:157) binding
174:180 (vs. 185:191, 71% identical) binding
D175 (≠ E186) binding
N204 (= N215) binding
NFYAI 204:208 (≠ NGYAI 215:219) binding
Y206 (= Y217) binding
H273 (= H284) binding

3dv0A Snapshots of catalysis in the e1 subunit of the pyruvate dehydrogenase multi-enzyme complex (see paper)
34% identity, 92% coverage: 17:376/392 of query aligns to 10:346/349 of 3dv0A

query
sites
3dv0A

L

L

D

E

K

K

A

V

S

A

L

E

H

Q

I

F

P

P

I

T

L

F

R

Q

I

I

L

L

Q

N

A

E

D

E

G

G

T

E

T

V

Y

V

E

N

T

E

A

E

V

A

L

M

P

P

V

E

I

L

D

S

E

D

A

E

L

Q

A

L

T

K

K

E

I

L

Y

M

D

R

T

R

C

M

V

V

F

Y

T

T

R

R

V

I

L

L

D

D

E

Q

R

R

M

S

L

I

G
x
S

A

L

Q

N

R

R

Q

Q

G

G

R

R

I

L

S

G

F

F

Y

Y

M

A

T

P

C

T

T

A

G

G

E

Q

E

E

A

A

A

S

I

Q

V

I

G

A

S

S

V

H

A

F

A

A

L

L

D

E

Q

K

E

E

D

D

V

F

I

I

L

L

A

P

Q

G

Y
|
Y

R
|
R

E

D

H

V

A

P

A

Q

L

I

R

I

Y

W

R

H

G

G

F

L

T

P

T

-

E

-

Q

-

F

-

M

L

N

Y

Q

Q

M

A

F

F

S

L

N

F

E

S

K

R

D

G

L

H

G

F

K

H

G

G

R

N

Q

Q

M

I

P

P

I

-

H

-

Y

E

G

G

C

V

A

N

A

V

L

L

N

P

Y

P

Q

Q

T
x
I

I

I

S

-

P

-

L
x
I

A

G

T

A

Q

Q

I

Y

P

I

Q

Q

A

A

T

A

G

G

V

V

G

A

Y

L

S

G

L

L

K

K

M

M

Q

R

G

G

K

K

R

K

N

A

V

V

A

A

V

I

C

T

Y

Y

F

T

G
|
G

E
x
D

G
|
G

A

G

A

T

S

S

E

Q

G

G

D

D

F

F

H

Y

A

E

G

G

L

I

N

N

M

F

A

A

A

G

V

A

L

F

K

K

C

A

P

P

V

A

I

I

F

F

F

V

C

V

R

Q

N

N

N
|
N

G

R

Y
x
F

A
|
A

I
|
I

S

S

T

T

P

P

T

V

E

E

E

K

Q

Q

F

T

A

V

G

A

N

K

G

T

I

L

A

A

S

Q

R

K

G

A

V

V

G

A

Y

A

G

G

M

I

H

P

T

G

I

I

R

Q

V

V

D

D

G

G

N

M

D

D

M

P

L

L

A

A

V

V

L

Y

A

A

T

V

Q

K

Q

A

A

A

R

R

A

E

Y

R

A

A

I

I

E

N

H

G

N

E

A

G

P

P

V

T

L

L

I

I

E

E

A

T

M

L

T

C

Y

F

R
|
R

L

Y

G

G

A

P

H
|
H

S

-

D

-

P

-

S

-

G

-

Y

-

R

-

S

-

K

-

E

-

E

E

A

N

K

E

W

W

Q

A

Q

K

H

K

D

D

P

P

V

L

K

V

R

R

F

F

K

R

L

K

W

F

L

L

I

E

N

A

K

K

G

G

W

L

L

W

A

S

E

E

A

E

D

E

A

N

Q

N

R

V

Y

I

E

E

K

Q

Y

A

R

K

E

E

V

I

L

K

A

E

A

A

V

I

K

K

V

K

A

A

E

D

K

E

L

T

P

P

I

K

P

Q

M

K

L

V

D

T

E

D

I

L

I

I

E

S

D

I

V

M

Y

F

D

E

K

E

P

L

T

P

P

F

A

N

L

L

K

K

K

E

Q

Q

L

Y

S

E

E

I

L

Y

K

K

E

E

active site: S62 (≠ G69), I139 (≠ T152), R264 (= R280), H268 (= H284)
binding magnesium ion: D170 (≠ E186), N199 (= N215), F201 (≠ Y217)
binding 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate: Y99 (= Y106), R100 (= R107), I141 (≠ L157), G169 (= G185), D170 (≠ E186), G171 (= G187), N199 (= N215), F201 (≠ Y217), A202 (= A218), I203 (= I219), R264 (= R280)

3dv0E Snapshots of catalysis in the e1 subunit of the pyruvate dehydrogenase multi-enzyme complex (see paper)
33% identity, 92% coverage: 17:376/392 of query aligns to 10:341/344 of 3dv0E

query
sites
3dv0E

L

L

D

E

K

K

A

V

S

A

L

E

H

Q

I

F

P

P

I

T

L

F

R

Q

I

I

L

L

Q

N

A

E

D

E

G

G

T

E

T

V

Y

V

E

N

T

E

A

E

V

A

L

M

P

P

V

E

I

L

D

S

E

D

A

E

L

Q

A

L

T

K

K

E

I

L

Y

M

D

R

T

R

C

M

V

V

F

Y

T

T

R

R

V

I

L

L

D

D

E

Q

R

R

M

S

L

I

G
x
S

A

L

Q

N

R

R

Q

Q

G

G

R

R

I

L

S

G

F

F

Y

Y

M

A

T

P

C

T

T

A

G

G

E

Q

E

E

A

A

A

S

I

Q

V

I

G

A

S

S

V

H

A

F

A

A

L

L

D

E

Q

K

E

E

D

D

V

F

I

I

L

L

A

P

Q

G

Y
|
Y

R
|
R

E

D

H

V

A

P

A

Q

L

I

R

I

Y

W

R

H

G

G

F

L

T

P

T

-

E

-

Q

-

F

-

M

L

N

Y

Q

Q

M

A

F

F

S

L

N

F

E

S

K

R

D

G

L

H

G

F

K

H

G

G

R

N

Q

Q

M

I

P

P

I

-

H

-

Y

E

G

G

C

V

A

N

A

V

L

L

N

P

Y

P

Q

Q

T
x
I

I

I

S

-

P

-

L
x
I

A

G

T

A

Q

Q

I

Y

P

I

Q

Q

A

A

T

A

G

G

V

V

G

A

Y

L

S

G

L

L

K

K

M

M

Q

R

G

G

K

K

R

K

N

A

V

V

A

A

V

I

C

T

Y

Y

F

T

G
|
G

E
x
D

G
|
G

A

G

A

T

S

S

E

Q

G

G

D

D

F

F

H

Y

A

E

G

G

L

I

N

N

M

F

A

A

A

G

V

A

L

F

K

K

C

A

P

P

V

A

I

I

F

F

F

V

C

V

R
x
Q

N

N

N
|
N

G

R

Y
x
F

A
|
A

I
|
I

S

S

T

T

P

P

T

V

E

E

E

K

Q

Q

F

T

A

V

G

A

N

K

G

T

I

L

A

A

S

Q

R

K

G

A

V

V

G

A

Y

A

G

G

M

I

H

P

T

G

I

I

R

Q

V

V

D

D

G

G

N

M

D

D

M

P

L

L

A

A

V

V

L

Y

A

A

T

V

Q

K

Q

A

A

A

R

R

A

E

Y

R

A

A

I

I

E

N

H

G

N

E

A

G

P

P

V

T

L

L

I

I

E

E

A

T

M

L

T

C

Y

F

R
|
R

L

Y

G

-

A

-

H

-

S

-

D

-

P

-

S

-

G

-

Y

-

R

-

S

-

K

-

E

-

A

-

K

E

W

W

Q

A

Q

K

H

K

D

D

P

P

V

L

K

V

R

R

F

F

K

R

L

K

W

F

L

L

I

E

N

A

K

K

G

G

W

L

L

W

A

S

E

E

A

E

D

E

A

N

Q

N

R

V

Y

I

E

E

K

Q

Y

A

R

K

E

E

V

I

L

K

A

E

A

A

V

I

K

K

V

K

A

A

E

D

K

E

L

T

P

P

I

K

P

Q

M

K

L

V

D

T

E

D

I

L

I

I

E

S

D

I

V

M

Y

F

D

E

K

E

P

L

T

P

P

F

A

N

L

L

K

K

K

E

Q

Q

L

Y

S

E

E

I

L

Y

K

K

E

E

active site: S62 (≠ G69), I139 (≠ T152), R264 (= R280)
binding magnesium ion: G169 (= G185), D170 (≠ E186), Q197 (≠ R213), N199 (= N215)
binding 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate: Y99 (= Y106), R100 (= R107), I139 (≠ T152), I141 (≠ L157), G169 (= G185), D170 (≠ E186), G171 (= G187), N199 (= N215), F201 (≠ Y217), A202 (= A218), I203 (= I219)

Query Sequence

>7024960 FitnessBrowser__ANA3:7024960
MSKATLNTDTVHRVGFLDKASLHIPILRILQADGTTYETAVLPVIDEALATKIYDTCVFT
RVLDERMLGAQRQGRISFYMTCTGEEAAIVGSVAALDQEDVILAQYREHAALRYRGFTTE
QFMNQMFSNEKDLGKGRQMPIHYGCAALNYQTISSPLATQIPQATGVGYSLKMQGKRNVA
VCYFGEGAASEGDFHAGLNMAAVLKCPVIFFCRNNGYAISTPTEEQFAGNGIASRGVGYG
MHTIRVDGNDMLAVLAATQQARAYAIEHNAPVLIEAMTYRLGAHSSSDDPSGYRSKEEEA
KWQQHDPVKRFKLWLINKGWLAEADDAQRYEKYREEVLAAVKVAEKLPIPMLDEIIEDVY
DKPTPALKKQLSELKEHIKKYPQSYPKSAGRL

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