SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_085219514.1 NCBI__GCF_900177405.1:WP_085219514.1 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)

1qs0B Crystal structure of pseudomonas putida 2-oxoisovalerate dehydrogenase (branched-chain alpha-keto acid dehydrogenase, e1b) (see paper)
71% identity, 100% coverage: 1:333/334 of query aligns to 5:337/338 of 1qs0B

query
sites
1qs0B

M

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active site: E61 (= E57), H130 (= H126)
binding 2-oxo-4-methylpentanoic acid: Y87 (= Y83), H130 (= H126)

1umdD Branched-chain 2-oxo acid dehydrogenase (e1) from thermus thermophilus hb8 with 4-methyl-2-oxopentanoate as an intermediate (see paper)
51% identity, 100% coverage: 1:333/334 of query aligns to 3:322/323 of 1umdD

query
sites
1umdD

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active site: E59 (= E57), P88 (= P86), H128 (= H126)
binding 2-oxo-4-methylpentanoic acid: Y85 (= Y83), H128 (= H126)
binding thiamine diphosphate: E28 (= E26), L57 (≠ I55), E59 (= E57), Q81 (= Q79), Y85 (= Y83)

1umcD Branched-chain 2-oxo acid dehydrogenase (e1) from thermus thermophilus hb8 with 4-methylpentanoate (see paper)
51% identity, 100% coverage: 1:333/334 of query aligns to 3:322/323 of 1umcD

query
sites
1umcD

M

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G

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G

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F

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L

E

D

active site: E59 (= E57), P88 (= P86), H128 (= H126)
binding 4-methyl valeric acid: Y85 (= Y83), H127 (≠ T125)
binding thiamine diphosphate: E28 (= E26), L57 (≠ I55), E59 (= E57), Y85 (= Y83)

1umbD Branched-chain 2-oxo acid dehydrogenase (e1) from thermus thermophilus hb8 in holo-form (see paper)
51% identity, 100% coverage: 1:333/334 of query aligns to 3:322/323 of 1umbD

query
sites
1umbD

M

M

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-

A

-

K

-

A

G

G

I

V

D

S

A

A

E

E

V

V

I

L

D

D

L

L

R

R

T

T

I

L

V

M

P

P

V

W

D

D

I

Y

E

E

T

A

I

V

E

M

E

N

S

S

V

V

K

A

K

K

T

T

G

G

R

R

C

V

I

V

V

L

L

V

H

S

E

D

A

A

T

P

R

R

T

H

A

A

G

S

F

F

G

V

A

S

E

E

L

V

S

A

A

A

L

T

V

I

Q

A

E

E

R

D

C

L

F

L

Y

D

H

M

L

L

E

L

A

A

P

P

V

P

V

I

R

R

V

V

T

T

G

G

F

F

D

D

T

T

P

P

Y

Y

P

P

H

Y

S

A

L

Q

E

D

W

K

A

L

Y

Y

F

L

P

P

G

T

P

V

I

T

R

R

L

I

G

L

N

N

A

A

L

A

K

K

K

R

V

A

L

L

E

D

active site: E59 (= E57), P88 (= P86), H128 (= H126)
binding thiamine diphosphate: E28 (= E26), L57 (≠ I55), E59 (= E57), Y85 (= Y83)

Q5SLR3 2-oxoisovalerate dehydrogenase subunit beta; Branched-chain alpha-keto acid dehydrogenase E1 component beta chain; BCKDH E1-beta; EC 1.2.4.4 from Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8) (see paper)
51% identity, 100% coverage: 1:333/334 of query aligns to 4:323/324 of Q5SLR3

query
sites
Q5SLR3

M

M

N

T

M

M

I

V

Q

Q

A

A

I

L

N

N

N

R

A

A

H

L

D

D

V

E

M

E

M

M

E

A

R

K

D

D

D

P

N

R

I

V

V

V

V

V

T

L

G

G

E
|
E

D

D

I

V

G

G

Y

K

F

R

G

G

G

G

V

V

F

F

R

L

A

V

T

T

E

E

G

G

L

L

Q

L

K

Q

K

K

Y

Y

G

G

T

P

R

D

R

R

V

V

F

M

D

D

A

T

P

P

I

L

A

S

E

E

G

A

G

A

I

I

V

V

A

G

V

A

G

A

I

L

G

G

M

M

A

A

A

A

Y

H

G

G

L

L

R

R

P

P

V

V

V

A

E

E

I

I

Q
|
Q

F

F

A

A

D

D

Y

Y

I

I

Y

F

P

P

G

G

F

F

D

D

Q

Q

I

L

V

V

S

S

E

Q

A

V

G

A

R

K

M

L

R

R

Y

Y

R

R

T

S

A

G

G

G

E

Q

W

F

Y

T

L

A

P

P

M

L

V

V

I

V

R

R

S

M

P

P

Y

S

G

G

G

G

G

G

I

V

F

R

G

G

G

G

Q

H

T

H

H

H

S

S

Q

Q

S

S

P

P

E

E

A

A

L

H

F

F

A

V

H

H

A

T

C

A

G

G

I

L

K

K

T

V

V

V

I

A

P

V

S

S

N

T

P

P

Y

Y

D

D

A

A

K

K

G

G

L

L

L

L

I

K

A

A

A

A

I

I

E

R

D

D

D

E

D

D

P

P

V

V

V

V

F

F

F

L

E

E

P

P

K

K

R

R

I

L

Y

Y

N

-

G

-

P

-

F

-

D

-

G

-

H

-

F

-

D

-

R

-

P

-

V

-

T

-

P

-

W

-

A

-

K

R

H

S

P

V

A

K

A

E

E

E

V

V

P

P

D

E

G

E

H

D

Y

Y

T

T

V

L

P

P

I

I

G

G

K

K

A

A

A

A

I

L

A

R

R

R

A

E

G

G

E

K

A

D

V

L

T

T

I

L

L

I

A

G

Y

Y

G

G

T

T

M

V

V

M

H

P

L

E

A

V

L

L

G

Q

V

A

V

A

A

A

E

E

L

L

-

A

-

K

-

A

G

G

I

V

D

S

A

A

E

E

V

V

I

L

D

D

L

L

R

R

T

T

I

L

V

M

P

P

V

W

D

D

I

Y

E

E

T

A

I

V

E

M

E

N

S

S

V

V

K

A

K

K

T

T

G

G

R

R

C

V

I

V

V

L

L

V

H

S

E

D

A

A

T

P

R

R

T

H

A

A

G

S

F

F

G

V

A

S

E

E

L

V

S

A

A

A

L

T

V

I

Q

A

E

E

R

D

C

L

F

L

Y

D

H

M

L

L

E

L

A

A

P

P

V

P

V

I

R

R

V

V

T

T

G

G

F

F

D

D

T

T

P

P

Y

Y

P

P

H

Y

S

A

L

Q

E

D

W

K

A

L

Y

Y

F

L

P

P

G

T

P

V

I

T

R

R

L

I

G

L

N

N

A

A

L

A

K

K

K

R

V

A

L

L

E

D

E29 (= E26) binding thiamine diphosphate
Q82 (= Q79) binding thiamine diphosphate

3dv0D Snapshots of catalysis in the e1 subunit of the pyruvate dehydrogenase multi-enzyme complex (see paper)
49% identity, 99% coverage: 1:332/334 of query aligns to 3:322/324 of 3dv0D

query
sites
3dv0D

M

M

N

T

M

M

I

V

Q

Q

A

A

I

I

N

T

N

D

A

A

H

L

D

R

V

I

M

E

M

L

E

K

R

N

D

D

D

P

N

N

I

V

V

L

V

I

T

F

G

G

E

E

D

D

I

V

G

G

Y

V

F

N

G

G

G

G

V

V

F

F

R

R

A

A

T

T

E

E

G

G

L

L

Q

Q

K

A

K

E

Y

F

G

G

T

E

R

D

R

R

V

V

F

F

D

D

A

T

P

P

I
x
L

A

A

E
|
E

G

S

G

G

I

I

V

G

A

G

V

L

G

A

I

I

G

G

M

L

A

A

A

L

Y

Q

G

G

L

F

R

R

P

P

V

V

V

P

E

E

I

I

Q

Q

F
|
F

A

F

D

G

Y
x
F

I

V

Y

Y

P
x
E

G

V

F

M

D

D

Q

S

I

I

V

C

S

G

E

Q

A

M

G

A

R

R

M

I

R

R

Y

Y

R

R

T

T

A

G

G

G

E

R

W

Y

Y

H

L

M

P

P

M

I

V

T

I

I

R

R

S

S

P

P

Y

F

G

G

G

G

G

G

I

V

F

H

G

T

G

P

Q

E

T

L

H
|
H

S

S

Q

D

S

S

P

L

E

E

A

G

L

L

F

V

A

A

H

Q

A

Q

C

P

G

G

I

L

K

K

T

V

V

V

I

I

P

P

S

S

N

T

P

P

Y

Y

D

D

A

A

K

K

G

G

L

L

L

L

I

I

A

S

A

A

I

I

E

R

D

D

D

N

D

D

P

P

V

V

V

I

F

F

F

L

E

E

P

H

K

L

R

K

I

L

Y

Y

N

-

G

-

P

-

F

-

D

-

G

-

H

-

F

-

D

-

R

-

P

-

V

-

T

-

P

-

W

-

A

-

K

R

H

S

P

F

A

R

A

Q

E

E

V

V

P

P

D

E

G

G

H

E

Y

Y

T

T

V

I

P

P

I

I

G

G

K

K

A

A

A

D

I

I

A

K

R

R

A

E

G

G

E

K

A

D

V

I

T

T

I

I

L

I

A

A

Y

Y

G

G

T

A

M

M

V

V

H

H

L

E

A

S

L

L

G

K

V

A

V

A

A

A

E

E

L

L

-

E

-

K

-

E

G

G

I

I

D

S

A

A

E

E

V

V

I

V

D

D

L

L

R

R

T

T

I

V

V

Q

P

P

V

L

D

D

I

I

E

E

T

T

I

I

E

I

E

G

S

S

V

V

K

E

K

K

T

T

G

G

R

R

C

A

I

I

V

V

L

V

H

Q

E

E

A

A

T

Q

R

R

T

Q

A

A

G

G

F

I

G

A

A

A

E

N

L

V

S

V

A

A

L

E

V

I

Q

N

E

E

R

R

C

A

F

I

Y

L

H

S

L

L

E

E

A

A

P

P

V

V

V

L

R

R

V

V

T

A

G

A

F

P

D

D

T

T

P

V

Y

Y

P

P

H

F

S

A

-

Q

L

A

E

E

W

S

A

V

Y

W

F

L

P

P

G

N

P

F

I

K

R

D

L

V

G

I

N

E

A

T

L

A

K

K

K

K

V

V

L

M

active site: E59 (= E57), E88 (≠ P86), H128 (= H126)
binding pyruvic acid: F82 (= F80), H128 (= H126)
binding 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate: L57 (≠ I55), E59 (= E57), F85 (≠ Y83)

3dv0B Snapshots of catalysis in the e1 subunit of the pyruvate dehydrogenase multi-enzyme complex (see paper)
49% identity, 99% coverage: 1:332/334 of query aligns to 3:322/324 of 3dv0B

query
sites
3dv0B

M

M

N

T

M

M

I

V

Q

Q

A

A

I

I

N

T

N

D

A

A

H

L

D

R

V

I

M

E

M

L

E

K

R

N

D

D

D

P

N

N

I

V

V

L

V

I

T

F

G

G

E

E

D

D

I

V

G

G

Y

V

F

N

G

G

G

G

V

V

F

F

R

R

A

A

T

T

E

E

G

G

L

L

Q

Q

K

A

K

E

Y

F

G

G

T

E

R

D

R

R

V

V

F

F

D

D

A

T

P

P

I
x
L

A

A

E
|
E

G

S

G

G

I

I

V

G

A

G

V

L

G

A

I

I

G

G

M

L

A

A

A

L

Y

Q

G

G

L

F

R

R

P

P

V

V

V

P

E

E

I

I

Q

Q

F

F

A

F

D

G

Y
x
F

I

V

Y

Y

P
x
E

G

V

F

M

D

D

Q

S

I

I

V

C

S

G

E

Q

A

M

G

A

R

R

M

I

R

R

Y

Y

R

R

T

T

A

G

G

G

E

R

W

Y

Y

H

L

M

P

P

M

I

V

T

I

I

R

R

S

S

P

P

Y

F

G

G

G

G

G

G

I

V

F

H

G

T

G

P

Q

E

T

L

H
|
H

S

S

Q

D

S

S

P

L

E

E

A

G

L

L

F

V

A

A

H

Q

A

Q

C

P

G

G

I

L

K

K

T

V

V

V

I

I

P

P

S

S

N

T

P

P

Y

Y

D

D

A

A

K

K

G

G

L

L

L

L

I

I

A

S

A

A

I

I

E

R

D

D

D

N

D

D

P

P

V

V

V

I

F

F

F

L

E

E

P

H

K

L

R

K

I

L

Y

Y

N

-

G

-

P

-

F

-

D

-

G

-

H

-

F

-

D

-

R

-

P

-

V

-

T

-

P

-

W

-

A

-

K

R

H

S

P

F

A

R

A

Q

E

E

V

V

P

P

D

E

G

G

H

E

Y

Y

T

T

V

I

P

P

I

I

G

G

K

K

A

A

A

D

I

I

A

K

R

R

A

E

G

G

E

K

A

D

V

I

T

T

I

I

L

I

A

A

Y

Y

G

G

T

A

M

M

V

V

H

H

L

E

A

S

L

L

G

K

V

A

V

A

A

A

E

E

L

L

-

E

-

K

-

E

G

G

I

I

D

S

A

A

E

E

V

V

I

V

D

D

L

L

R

R

T

T

I

V

V

Q

P

P

V

L

D

D

I

I

E

E

T

T

I

I

E

I

E

G

S

S

V

V

K

E

K

K

T

T

G

G

R

R

C

A

I

I

V

V

L

V

H

Q

E

E

A

A

T

Q

R

R

T

Q

A

A

G

G

F

I

G

A

A

A

E

N

L

V

S

V

A

A

L

E

V

I

Q

N

E

E

R

R

C

A

F

I

Y

L

H

S

L

L

E

E

A

A

P

P

V

V

V

L

R

R

V

V

T

A

G

A

F

P

D

D

T

T

P

V

Y

Y

P

P

H

F

S

A

-

Q

L

A

E

E

W

S

A

V

Y

W

F

L

P

P

G

N

P

F

I

K

R

D

L

V

G

I

N

E

A

T

L

A

K

K

K

K

V

V

L

M

active site: E59 (= E57), E88 (≠ P86), H128 (= H126)
binding 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate: L57 (≠ I55), E59 (= E57), F85 (≠ Y83)

3dufD Snapshots of catalysis in the e1 subunit of the pyruvate dehydrogenase multi-enzyme complex (see paper)
49% identity, 99% coverage: 1:332/334 of query aligns to 3:322/324 of 3dufD

query
sites
3dufD

M

M

N

T

M

M

I

V

Q

Q

A

A

I

I

N

T

N

D

A

A

H

L

D

R

V

I

M

E

M

L

E

K

R

N

D

D

D

P

N

N

I

V

V

L

V

I

T

F

G

G

E

E

D

D

I

V

G

G

Y

V

F

N

G

G

G

G

V

V

F

F

R

R

A

A

T

T

E

E

G

G

L

L

Q

Q

K

A

K

E

Y

F

G

G

T

E

R

D

R

R

V

V

F

F

D

D

A

T

P

P

I
x
L

A

A

E
|
E

G

S

G

G

I

I

V

G

A

G

V

L

G

A

I

I

G

G

M

L

A

A

A

L

Y

Q

G

G

L

F

R

R

P

P

V

V

V

P

E

E

I

I

Q

Q

F

F

A

F

D

G

Y
x
F

I

V

Y

Y

P
x
E

G

V

F

M

D

D

Q

S

I

I

V

C

S

G

E

Q

A

M

G

A

R

R

M

I

R

R

Y

Y

R

R

T

T

A

G

G

G

E

R

W

Y

Y

H

L

M

P

P

M

I

V

T

I

I

R

R

S

S

P

P

Y

F

G

G

G

G

G

G

I

V

F

H

G

T

G

P

Q

E

T

L

H
|
H

S

S

Q

D

S

S

P

L

E

E

A

G

L

L

F

V

A

A

H

Q

A

Q

C

P

G

G

I

L

K

K

T

V

V

V

I

I

P

P

S

S

N

T

P

P

Y

Y

D

D

A

A

K

K

G

G

L

L

L

L

I

I

A

S

A

A

I

I

E

R

D

D

D

N

D

D

P

P

V

V

V

I

F

F

F

L

E

E

P

H

K

L

R

K

I

L

Y

Y

N

-

G

-

P

-

F

-

D

-

G

-

H

-

F

-

D

-

R

-

P

-

V

-

T

-

P

-

W

-

A

-

K

R

H

S

P

F

A

R

A

Q

E

E

V

V

P

P

D

E

G

G

H

E

Y

Y

T

T

V

I

P

P

I

I

G

G

K

K

A

A

A

D

I

I

A

K

R

R

A

E

G

G

E

K

A

D

V

I

T

T

I

I

L

I

A

A

Y

Y

G

G

T

A

M

M

V

V

H

H

L

E

A

S

L

L

G

K

V

A

V

A

A

A

E

E

L

L

-

E

-

K

-

E

G

G

I

I

D

S

A

A

E

E

V

V

I

V

D

D

L

L

R

R

T

T

I

V

V

Q

P

P

V

L

D

D

I

I

E

E

T

T

I

I

E

I

E

G

S

S

V

V

K

E

K

K

T

T

G

G

R

R

C

A

I

I

V

V

L

V

H

Q

E

E

A

A

T

Q

R

R

T

Q

A

A

G

G

F

I

G

A

A

A

E

N

L

V

S

V

A

A

L

E

V

I

Q

N

E

E

R

R

C

A

F

I

Y

L

H

S

L

L

E

E

A

A

P

P

V

V

V

L

R

R

V

V

T

A

G

A

F

P

D

D

T

T

P

V

Y

Y

P

P

H

F

S

A

-

Q

L

A

E

E

W

S

A

V

Y

W

F

L

P

P

G

N

P

F

I

K

R

D

L

V

G

I

N

E

A

T

L

A

K

K

K

K

V

V

L

M

active site: E59 (= E57), E88 (≠ P86), H128 (= H126)
binding 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1r)-1-hydroxyethyl]-3-methyl-2-thienyl}ethyl trihydrogen diphosphate: L57 (≠ I55), E59 (= E57), F85 (≠ Y83)

1w85B The crystal structure of pyruvate dehydrogenase e1 bound to the peripheral subunit binding domain of e2 (see paper)
49% identity, 99% coverage: 1:332/334 of query aligns to 3:322/324 of 1w85B

query
sites
1w85B

M

M

N

T

M

M

I

V

Q

Q

A

A

I

I

N

T

N

D

A

A

H

L

D

R

V

I

M

E

M

L

E

K

R

N

D

D

D

P

N

N

I

V

V

L

V

I

T

F

G

G

E
|
E

D

D

I

V

G

G

Y

V

F

N

G

G

G

G

V

V

F

F

R

R

A

A

T

T

E

E

G

G

L

L

Q

Q

K

A

K

E

Y

F

G

G

T

E

R

D

R

R

V

V

F

F

D

D

A

T

P

P

I
x
L

A

A

E
|
E

G

S

G

G

I

I

V

G

A

G

V

L

G

A

I

I

G

G

M

L

A

A

A

L

Y

Q

G

G

L

F

R

R

P

P

V

V

V

P

E

E

I

I

Q

Q

F

F

A

F

D

G

Y
x
F

I

V

Y

Y

P
x
E

G

V

F

M

D

D

Q

S

I

I

V

C

S

G

E

Q

A

M

G

A

R

R

M

I

R

R

Y

Y

R

R

T

T

A

G

G

G

E

R

W

Y

Y

H

L

M

P

P

M

I

V

T

I

I

R

R

S

S

P

P

Y

F

G

G

G

G

G

G

I

V

F

H

G

T

G

P

Q

E

T

L

H
|
H

S

S

Q

D

S

S

P

L

E

E

A

G

L

L

F

V

A

A

H

Q

A

Q

C

P

G

G

I

L

K

K

T

V

V

V

I

I

P

P

S

S

N

T

P

P

Y

Y

D

D

A

A

K

K

G

G

L

L

L

L

I

I

A

S

A

A

I

I

E

R

D

D

D

N

D

D

P

P

V

V

V

I

F

F

F

L

E

E

P

H

K

L

R

K

I

L

Y

Y

N

-

G

-

P

-

F

-

D

-

G

-

H

-

F

-

D

-

R

-

P

-

V

-

T

-

P

-

W

-

A

-

K

R

H

S

P

F

A

R

A

Q

E

E

V

V

P

P

D

E

G

G

H

E

Y

Y

T

T

V

I

P

P

I

I

G

G

K

K

A

A

A

D

I

I

A

K

R

R

A

E

G

G

E

K

A

D

V

I

T

T

I

I

L

I

A

A

Y

Y

G

G

T

A

M

M

V

V

H

H

L

E

A

S

L

L

G

K

V

A

V

A

A

A

E

E

L

L

-

E

-

K

-

E

G

G

I

I

D

S

A

A

E

E

V

V

I

V

D

D

L

L

R

R

T

T

I

V

V

Q

P

P

V

L

D

D

I

I

E

E

T

T

I

I

E

I

E

G

S

S

V

V

K

E

K

K

T

T

G

G

R

R

C

A

I

I

V

V

L

V

H

Q

E

E

A

A

T

Q

R

R

T

Q

A

A

G

G

F

I

G

A

A

A

E

N

L

V

S

V

A

A

L

E

V

I

Q

N

E

E

R

R

C

A

F

I

Y

L

H

S

L

L

E

E

A

A

P

P

V

V

V

L

R

R

V

V

T

A

G

A

F

P

D

D

T

T

P

V

Y

Y

P

P

H

F

S

A

-

Q

L

A

E

E

W

S

A

V

Y

W

F

L

P

P

G

N

P

F

I

K

R

D

L

V

G

I

N

E

A

T

L

A

K

K

K

K

V

V

L

M

active site: E59 (= E57), E88 (≠ P86), H128 (= H126)
binding thiamine diphosphate: E28 (= E26), L57 (≠ I55), E59 (= E57), F85 (≠ Y83)

2j9fD Human branched-chain alpha-ketoacid dehydrogenase-decarboxylase e1b (see paper)
47% identity, 100% coverage: 1:333/334 of query aligns to 8:328/329 of 2j9fD

query
sites
2j9fD

M

M

N

N

M

L

I

F

Q

Q

A

S

I

V

N

T

N

S

A

A

H

L

D

D

V

N

M

S

M

L

E

A

R

K

D

D

D

P

N

T

I

A

V

V

V

I

T

F

G

G

E
|
E

D

D

I

V

G

A

Y

-

F

F

G

G

G

G

V

V

F

F

R

R

A

C

T

T

E

V

G

G

L

L

Q

R

K

D

K

K

Y

Y

G

G

T

K

R

D

R

R

V

V

F

F

D

N

A

T

P

P

I
x
L

A

C

E
|
E

G

Q

G

G

I

I

V

V

A

G

V

F

G

G

I

I

G

G

M

I

A

A

A

V

Y

T

G

G

L

A

R

T

P

A

V

I

V

A

E

E

I

I

Q
|
Q

F

F

A

A

D

D

Y
|
Y

I

I

Y

F

P

P

G

A

F

F

D

D

Q

Q

I

I

V

V

S

N

E

E

A

A

G

A

R

K

M

Y

R

R

Y

Y

R

R

T

S

A

G

G

D

E

L

W

F

Y

N

L

C

-

G

P

S

M

L

V

T

I

I

R

R

S

S

P

P

Y

W

G

G

G

C

G

V

I

G

F

H

G

G

G

A

Q

L

T

Y

H
|
H

S

S

Q

Q

S

S

P

P

E

E

A

A

L

F

F

F

A

A

H

H

A

C

C

P

G

G

I

I

K

K

T

V

V

V

I

I

P

P

S

R

N

S

P

P

Y

F

D

Q

A

A

K

K

G

G

L

L

L

L

I

L

A

S

A

C

I

I

E

E

D

D

D

K

D

N

P

P

V

C

V

I

F

F

F

F

E

E

P

P

K

K

R

I

I

L

Y

Y

N

-

G

-

P

-

F

-

D

-

G

-

H

-

F

-

D

-

R

-

P

-

V

-

T

-

P

-

W

-

A

-

K

R

H

A

P

A

A

A

A

E

E

E

V

V

P

P

D

I

G

E

H

P

Y

Y

T

N

V

I

P

P

I

L

G

S

K

Q

A

A

A

E

I

V

A

I

R

Q

A

E

G

G

E

S

A

D

V

V

T

T

I

L

L

V

A

A

Y

W

G

G

T

T

M

Q

V

V

H

H

L

V

A

I

L

R

G

E

V

V

V

A

A

S

-

M

-

A

-

K

-

E

E

K

L

L

G

G

I

V

D

S

A

C

E

E

V

V

I

I

D

D

L

L

R

R

T

T

I

I

V

I

P

P

V

W

D

D

I

V

E

D

T

T

I

I

E

C

E

K

S

S

V

V

K

I

K

K

T

T

G

G

R

R

C

L

I

L

V

I

L

S

H

H

E

E

A

A

T

P

R

L

T

T

A

G

G

G

F

F

G

A

A

S

E

E

L

I

S

S

A

S

L

T

V

V

Q

Q

E

E

R

E

C

C

F

F

Y

L

H

N

L

L

E

E

A

A

P

P

V

I

V

S

R

R

V

V

T

C

G

G

F

Y

D

D

T

T

P

P

Y

F

P

P

H

H

S

I

L

F

E

E

W

P

A

F

Y

Y

F

I

P

P

G

D

P

K

I

W

R

K

L

C

G

Y

N

D

A

A

L

L

K

R

K

K

V

M

L

I

E

N

active site: E63 (= E57), H133 (= H126)
binding c2-1-hydroxy-3-methyl-propyl-thiamin diphosphate: E33 (= E26), L61 (≠ I55), E63 (= E57), Q85 (= Q79), Y89 (= Y83), H133 (= H126)

1dtwB Human branched-chain alpha-keto acid dehydrogenase (see paper)
47% identity, 100% coverage: 1:333/334 of query aligns to 5:325/326 of 1dtwB

query
sites
1dtwB

M

M

N

N

M

L

I

F

Q

Q

A

S

I

V

N

T

N

S

A

A

H

L

D

D

V

N

M

S

M

L

E

A

R

K

D

D

D

P

N

T

I

A

V

V

V

I

T

F

G

G

E

E

D

D

I

V

G

A

Y

-

F

F

G

G

G

G

V

V

F

F

R

R

A

C

T

T

E

V

G

G

L

L

Q

R

K

D

K

K

Y

Y

G

G

T

K

R

D

R

R

V

V

F

F

D

N

A

T

P

P

I

L

A

C

E
|
E

G

Q

G

G

I

I

V

V

A

G

V

F

G

G

I

I

G

G

M

I

A

A

A

V

Y

T

G

G

L

A

R

T

P

A

V

I

V

A

E

E

I

I

Q

Q

F

F

A

A

D

D

Y

Y

I

I

Y

F

P

P

G

A

F

F

D

D

Q

Q

I

I

V

V

S

N

E

E

A

A

G

A

R

K

M

Y

R

R

Y

Y

R

R

T

S

A

G

G

D

E

L

W

F

Y

N

L

C

-
x
G

P
x
S

M
x
L

V
x
T

I

I

R

R

S

S

P

P

Y

W

G

G

G

C

G

V

I

G

F

H

G

G

G

A

Q

L

T

Y

H
|
H

S

S

Q

Q

S

S

P

P

E

E

A

A

L

F

F

F

A

A

H

H

A

C

C

P

G

G

I

I

K

K

T

V

V

V

I

I

P

P

S

R

N

S

P

P

Y

F

D

Q

A

A

K

K

G

G

L

L

L

L

I

L

A

S

A
x
C

I
|
I

E

E

D
|
D

D

K

D
x
N

P
|
P

V
x
C

V

I

F

F

F

F

E

E

P

P

K

K

R

I

I

L

Y

Y

N

-

G

-

P

-

F

-

D

-

G

-

H

-

F

-

D

-

R

-

P

-

V

-

T

-

P

-

W

-

A

-

K

R

H

A

P

A

A

A

A

E

E

E

V

V

P

P

D

I

G

E

H

P

Y

Y

T

N

V

I

P

P

I

L

G

S

K

Q

A

A

A

E

I

V

A

I

R

Q

A

E

G

G

E

S

A

D

V

V

T

T

I

L

L

V

A

A

Y

W

G

G

T

T

M

Q

V

V

H

H

L

V

A

I

L

R

G

E

V

V

V

A

A

S

-

M

-

A

-

K

-

E

E

K

L

L

G

G

I

V

D

S

A

C

E

E

V

V

I

I

D

D

L

L

R

R

T

T

I

I

V

I

P

P

V

W

D

D

I

V

E

D

T

T

I

I

E

C

E

K

S

S

V

V

K

I

K

K

T

T

G

G

R

R

C

L

I

L

V

I

L

S

H

H

E

E

A

A

T

P

R

L

T

T

A

G

G

G

F

F

G

A

A

S

E

E

L

I

S

S

A

S

L

T

V

V

Q

Q

E

E

R

E

C

C

F

F

Y

L

H

N

L

L

E

E

A

A

P

P

V

I

V

S

R

R

V

V

T

C

G

G

F

Y

D

D

T

T

P

P

Y

F

P

P

H

H

S

I

L

F

E

E

W

P

A

F

Y

Y

F

I

P

P

G

D

P

K

I

W

R

K

L

C

G

Y

N

D

A

A

L

L

K

R

K

K

V

M

L

I

E

N

active site: E60 (= E57), H130 (= H126)
binding potassium ion: G112 (vs. gap), S113 (≠ P109), L114 (≠ M110), T115 (≠ V111), C162 (≠ A158), I163 (= I159), D165 (= D161), N167 (≠ D163), P168 (= P164), C169 (≠ V165)

P21953 2-oxoisovalerate dehydrogenase subunit beta, mitochondrial; Branched-chain alpha-keto acid dehydrogenase E1 component beta chain; BCKDE1B; BCKDH E1-beta; EC 1.2.4.4 from Homo sapiens (Human) (see 2 papers)
47% identity, 100% coverage: 1:333/334 of query aligns to 71:391/392 of P21953

query
sites
P21953

M

M

N

N

M

L

I

F

Q

Q

A

S

I

V

N

T

N

S

A

A

H

L

D

D

V

N

M

S

M

L

E

A

R

K

D

D

D

P

N

T

I

A

V

V

V

I

T

F

G

G

E

E

D

D

I

V

G

A

Y

-

F

F

G

G

G

G

V

V

F

F

R

R

A

C

T

T

E

V

G

G

L

L

Q

R

K

D

K

K

Y

Y

G

G

T

K

R

D

R

R

V

V

F

F

D

N

A

T

P

P

I

L

A

C

E

E

G

Q

G

G

I

I

V

V

A

G

V

F

G

G

I

I

G

G

M

I

A

A

A

V

Y

T

G

G

L

A

R

T

P

A

V

I

V

A

E

E

I

I

Q

Q

F

F

A

A

D

D

Y
|
Y

I

I

Y

F

P

P

G

A

F

F

D

D

Q

Q

I

I

V

V

S

N

E

E

A

A

G

A

R

K

M

Y

R

R

Y

Y

R

R

T

S

A

G

G

D

E

L

W

F

Y
x
N

L

C

-
x
G

P

S

M
x
L

V
x
T

I

I

R

R

S

S

P

P

Y

W

G

G

G

C

G

V

I

G

F

H

G

G

G

A

Q

L

T

Y

H

H

S

S

Q

Q

S

S

P

P

E

E

A

A

L

F

F

F

A

A

H
|
H

A

C

C

P

G

G

I

I

K

K

T

V

V

V

I

I

P

P

S

R

N

S

P

P

Y

F

D

Q

A

A

K

K

G

G

L

L

L

L

I

L

A

S

A
x
C

I

I

E

E

D
|
D

D

K

D
x
N

P

P

V

C

V

I

F

F

F

F

E

E

P

P

K

K

R

I

I

L

Y

Y

N

-

G

-

P

-

F

-

D

-

G

-

H

-

F

-

D

-

R

-

P

-

V

-

T

-

P

-

W

-

A

-

K

R

H

A

P

A

A

A

A

E

E

E

V

V

P

P

D

I

G

E

H

P

Y

Y

T

N

V

I

P

P

I

L

G

S

K

Q

A

A

A

E

I

V

A

I

R

Q

A

E

G

G

E

S

A

D

V

V

T

T

I

L

L

V

A

A

Y

W

G

G

T

T

M

Q

V

V

H

H

L

V

A

I

L

R

G

E

V

V

V

A

A

S

-

M

-

A

-

K

-

E

E

K

L

L

G

G

I

V

D

S

A

C

E

E

V

V

I

I

D

D

L

L

R

R

T

T

I

I

V

I

P

P

V

W

D

D

I

V

E

D

T

T

I

I

E

C

E

K

S

S

V

V

K

I

K

K

T

T

G

G

R

R

C

L

I

L

V

I

L

S

H

H

E

E

A

A

T

P

R

L

T

T

A

G

G

G

F

F

G

A

A

S

E

E

L

I

S

S

A

S

L

T

V

V

Q

Q

E

E

R

E

C

C

F

F

Y

L

H

N

L

L

E

E

A

A

P

P

V

I

V

S

R

R

V

V

T

C

G

G

F

Y

D

D

T

T

P

P

Y

F

P

P

H

H

S

I

L

F

E

E

W

P

A

F

Y

Y

F

I

P

P

G

D

P

K

I

W

R

K

L

C

G

Y

N

D

A

A

L

L

K

R

K

K

V

M

L

I

E

N

Y152 (= Y83) binding thiamine diphosphate
N176 (≠ Y107) to Y: in MSUD1B; uncertain significance; loss of 3-methyl-2-oxobutanoate dehydrogenase activity
G178 (vs. gap) binding K(+)
L180 (≠ M110) binding K(+)
T181 (≠ V111) binding K(+)
H206 (= H136) to R: in MSUD1B; loss of 3-methyl-2-oxobutanoate dehydrogenase activity
C228 (≠ A158) binding K(+)
D231 (= D161) binding K(+)
N233 (≠ D163) binding K(+)

6cfoB Human pyruvate dehydrogenase e1 component complex with covalent tdp adduct acetyl phosphinate (see paper)
36% identity, 98% coverage: 6:333/334 of query aligns to 9:329/330 of 6cfoB

query
sites
6cfoB

A

A

I

I

N

N

N

Q

A

G

H

M

D

D

V

E

M

E

M

L

E

E

R

R

D

D

D

E

N

K

I

V

V

F

V

L

T

L

G

G

E
|
E

D

E

I

V

G

A

Y

Q

F

Y

G

D

G

G

V

A

F

Y

R

K

A

V

T

S

E

R

G

G

L

L

Q

W

K

K

K

K

Y

Y

G

G

T

D

R

K

R

R

V

I

F

I

D

D

A

T

P

P

I
|
I

A

S

E
|
E

G

M

G

G

I

F

V

A

A

G

V

I

G

A

I

V

G

G

M

A

A

A

A

M

Y

A

G

G

L

L

R

R

P

P

V

I

V

C

E

E

I

F

Q

M

F

T

A

F

D

N

Y
x
F

I

S

Y

M

P
x
Q

G

A

F

I

D

D

Q

Q

I

V

V

I

S

N

E

S

A

A

G

A

R

K

M

T

R

Y

Y

Y

R

M

T

S

A

G

G

G

E

L

W

Q

Y

P

L

V

P

P

M

I

V

V

I

F

R

R

S

G

P

P

Y

N

G

G

G

A

G

S

I

A

F

G

G

V

G

A

Q

A

T

Q

H
|
H

S

S

Q

Q

S

C

P

F

E

A

A

A

L

W

F

Y

A

G

H

H

A

C

C

P

G

G

I

L

K

K

T

V

V

V

I

S

P

P

S

W

N

N

P

S

Y

E

D

D

A

A

K

K

G

G

L

L

L

I

I

K

A

S

A

A

I

I

E

R

D

D

D

N

D

N

P

P

V

V

V

V

F

V

F

L

E

E

P

N

K

E

R

L

I

M

Y

Y

N

G

G

V

P

P

F

F

D

E

G

F

H

-

F

-

D

-

R

-

P

-

V

-

T

-

P

-

W

-

A

-

K

-

H

P

P

P

A

E

A

A

E

Q

V

S

P

K

D

D

G

-

H

-

Y

F

T

L

V

I

P

P

I

I

G

G

K

K

A

A

A

K

I

I

A

E

R

R

A

Q

G

G

E

T

A

H

V

I

T

T

I

V

L

V

A

S

Y

H

G

S

T

R

M

P

V

V

H

G

L

H

A

C

L

L

-

E

-

A

-

A

G

A

V

V

V

L

A

S

E

K

L

E

G

G

I

V

D

E

A

C

E

E

V

V

I

I

D

N

L

M

R

R

T

T

I

I

V

R

P

P

V

M

D

D

I

M

E

E

T

T

I

I

E

E

E

A

S

S

V

V

K

M

K

K

T

T

G

N

R

H

C

L

I

V

V

T

L

V

H

E

E

G

A

G

T

W

R

P

T

Q

A

F

G

G

F

V

G

G

A

A

E

E

L

I

S

C

A

A

L

R

V

I

Q

M

E

E

-

G

R

P

C

A

F

F

Y

N

H

F

L

L

E

D

A

A

P

P

V

A

V

V

R

R

V

V

T

T

G

G

F

A

D

D

T

V

P

P

Y

M

P

P

H

Y

S

A

-

K

-

I

L

L

E

E

W

D

A

N

Y

S

F

I

P

P

G

Q

P

V

I

K

R

D

L

I

G

I

N

F

A

A

L

I

K

K

K

K

V

T

L

L

E

N

active site: E60 (= E57), H129 (= H126)
binding 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-{(1S)-1-hydroxy-1-[(R)-hydroxy(oxo)-lambda~5~-phosphanyl]ethyl}-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium: E29 (= E26), I58 (= I55), E60 (= E57), F86 (≠ Y83), Q89 (≠ P86)

P11177 Pyruvate dehydrogenase E1 component subunit beta, mitochondrial; PDHE1-B; EC 1.2.4.1 from Homo sapiens (Human) (see 6 papers)
36% identity, 98% coverage: 6:333/334 of query aligns to 38:358/359 of P11177

query
sites
P11177

A

A

I

I

N

N

N

Q

A

G

H

M

D

D

V

E

M

E

M

L

E

E

R

R

D

D

D

E

N

K

I

V

V

F

V

L

T

L

G

G

E

E

D

E

I

V

G

A

Y

Q

F

Y

G

D

G

G

V

A

F

Y

R

K

A

V

T

S

E

R

G

G

L

L

Q

W

K

K

K

K

Y

Y

G

G

T

D

R

K

R

R

V

I

F

I

D

D

A

T

P

P

I

I

A

S

E
|
E

G

M

G

G

I

F

V

A

A

G

V

I

G

A

I

V

G

G

M

A

A

A

A

M

Y

A

G

G

L

L

R

R

P

P

V

I

V

C

E

E

I

F

Q

M

F

T

A

F

D

N

Y

F

I

S

Y

M

P

Q

G

A

F

I

D

D

Q

Q

I

V

V

I

S

N

E

S

A

A

G

A

R

K

M

T

R

Y

Y

Y

R

M

T

S

A

G

G

G

E

L

W

Q

Y

P

L

V

P

P

M

I

V

V

I

F

R

R

S

G

P

P

Y

N

G

G

G

A

G

S

I

A

F

G

G

V

G

A

Q

A

T

Q

H

H

S

S

Q

Q

S

C

P

F

E

A

A

A

L

W

F

Y

A

G

H

H

A

C

C

P

G

G

I

L

K

K

T

V

V

V

I

S

P

P

S

W

N

N

P

S

Y

E

D

D

A

A

K

K

G

G

L

L

L

I

I

K

A

S

A

A

I

I

E

R

D

D

D

N

D

N

P

P

V

V

V

V

F

V

F

L

E

E

P

N

K

E

R

L

I

M

Y

Y

N

G

G

V

P

P

F

F

D

E

G

F

H

-

F

-

D

-

R

-

P

-

V

-

T

-

P

-

W

-

A

-

K

-

H

P

P

P

A

E

A

A

E

Q

V

S

P

K

D

D

G

-

H

-

Y

F

T

L

V

I

P

P

I

I

G

G

K

K

A

A

A

K

I

I

A

E

R

R

A

Q

G

G

E

T

A

H

V

I

T

T

I

V

L

V

A

S

Y

H

G

S

T

R

M

P

V

V

H

G

L

H

A

C

L

L

-

E

-

A

-

A

G

A

V

V

V

L

A

S

E

K

L
x
E

G

G

I

V

D
x
E

A

C

E
|
E

V

V

I

I

D

N

L

M

R

R

T

T

I

I

V

R

P

P

V

M

D

D

I

M

E

E

T

T

I

I

E

E

E

A

S

S

V

V

K

M

K

K

T

T

G

N

R

H

C

L

I

V

V

T

L

V

H

E

E

G

A

G

T

W

R

P

T

Q

A

F

G

G

F

V

G

G

A

A

E

E