SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_061531796.1 NCBI__GCF_001584165.1:WP_061531796.1 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)

8jdeA Crystal structure of mldhd in complex with d-lactate (see paper)
25% identity, 49% coverage: 35:529/1002 of query aligns to 22:455/455 of 8jdeA

query
sites
8jdeA

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binding flavin-adenine dinucleotide: P68 (vs. gap), G70 (vs. gap), T71 (vs. gap), G72 (≠ A80), T73 (≠ R81), G74 (= G82), G78 (≠ S86), V79 (≠ Q87), L90 (≠ I98), P132 (≠ T145), G133 (≠ A146), A134 (= A147), G140 (= G153), M141 (= M154), A143 (≠ G156), T144 (≠ N157), A146 (≠ S159), S147 (≠ C160), E200 (= E262), G201 (= G263), I206 (≠ S268), W322 (≠ L395), E413 (= E487), H414 (= H488), N450 (= N524)
binding lactic acid: R318 (= R391), H369 (= H444), H376 (= H451), H414 (= H488)
binding manganese (ii) ion: H369 (= H444), H376 (= H451), E413 (= E487)

8jdxA Crystal structure of mldhd in complex with 2-ketoisovaleric acid (see paper)
25% identity, 49% coverage: 35:529/1002 of query aligns to 22:455/455 of 8jdxA

query
sites
8jdxA

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binding flavin-adenine dinucleotide: E32 (≠ A45), P68 (vs. gap), G70 (vs. gap), T71 (vs. gap), G72 (≠ A80), T73 (≠ R81), G74 (= G82), G78 (≠ S86), V79 (≠ Q87), L90 (≠ I98), P132 (≠ T145), G133 (≠ A146), A134 (= A147), G140 (= G153), M141 (= M154), A143 (≠ G156), T144 (≠ N157), A146 (≠ S159), S147 (≠ C160), E200 (= E262), G201 (= G263), I206 (≠ S268), W322 (≠ L395), E413 (= E487), H414 (= H488), N450 (= N524)
binding 3-methyl-2-oxobutanoic acid: R318 (= R391), H369 (= H444), H376 (= H451), H414 (= H488)
binding manganese (ii) ion: H369 (= H444), H376 (= H451), E413 (= E487)

8jdvA Crystal structure of mldhd in complex with 2-ketohexanoic acid (see paper)
25% identity, 49% coverage: 35:529/1002 of query aligns to 22:454/454 of 8jdvA

query
sites
8jdvA

K

S

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A

-

G

-

L

L

Q

L

R

H

I

T

A

A

Q

G

R

R

E

G

R

R

S

-

E

-

I

-

A

-

E

-

R

-

V

-

P

-

K

H

V

Y

L

R

R

K

R

S

V

A

G

A

G

G

Y

Y

N

N

I

-

D

-

I

-

F

-

D

-

C

-

Q

-

N

-

P

-

R

-

A

-

Y

-

T

-

D

-

G

-

V

-

A

-

N

-

L

L

A

T

H

G

I

L

L

F

V

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

A

G

Y

I

S
x
I

R

T

Q

S

L

T

T

T

L

L

A

R

L

L

L

H

P

P

L

A

P

P

E

E

H

A

K

T

V

V

L

A

G

A

V

T

V

C

N

A

F

F

P

P

T

S

F

V

Y

Q

Q

A

A

A

M

V

D

D

L

S

T

T

Q

V

H

Q

I

I

V

L

K

Q

L

A

G

A

-

V

P

P

T

V

A

A

-

R

V

I

E

E

L

F

V

L

D

D

R

D

T

V

M

M

I

M

D

D

L

A

A

C

M

N

G

R

N

H

P

S

A

K

F

L

K

N

-

C

P

P

V

V

I

-

E

-

K

-

A

-

L

-

V

-

G

-

Q

-

P

-

Q

A

A

P

I

T

L

L

L

F

V

L

E

E

F

F

S

H

G

G

E

S

N

Q

L

-

D

-

A

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L

-

K

-

L

-

A

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Q

-

L

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D

Q

E

T

L

L

M

A

A

E

D

Q

L

L

Q

Q

L

R

P

T

G

E

A

A

V

I

V

T

Q

Q

M

D

R

N

G

G

-

G

-

S

-

H

-

F

-

S

A

A

A

E

D

K

Q

R

K

N

A

E

L

L

W

W

E

A

V

A

R
|
R

K

H

A

N

G

A

L
x
W

N
x
Y

I

A

M

A

M

L

S

A

M

L

K

S

G

P

D

G

G

S

K

K

P

-

V

-

S

A

F

Y

I

S

E

T

D

D

C

V

A

C

V

V

P

P

L

I

E

S

H

R

L

L

A

P

E

E

Y

I

T

L

S

V

Q

E

L

T

T

K

E

E

V

E

F

I

H

K

K

A

Y

S

G

K

T

L

E

T

G

G

T

A

W

I

Y

V

A

G

H
|
H

A

V

S

G

V

D

G

G

T

N

L

F

H
|
H

V

C

R

-

P

-

I

I

L

L

D

L

M

V

R

D

R

P

G

D

A

A

K

E

D

E

M

Q

R

R

E

R

I

V

A

K

E

A

A

F

A

A

S

E

A

N

L

L

V

G

R

R

K

R

-

A

-

L

-

A

Y

L

K

G

G

G

A

T

Y

C

S

T

G

G

E
|
E

H
|
H

G

G

D

I

G

G

L

L

C

G

R

K

G

R

E

Q

W

L

V

L

A

Q

W

E

Q

E

Y

V

G

G

P

P

K

V

I

G

N

V

A

E

A

T

F

M

S

R

E

Q

I

L

K

K

E

N

L

T

F

L

D

D

P

P

E

R

N

G

R

L

F

M

N
|
N

P

P

D

G

K

K

I

V

V

L

binding 2-Ketohexanoic acid: V75 (≠ A83), R317 (= R391), W321 (≠ L395), H368 (= H444), H375 (= H451), H413 (= H488)
binding flavin-adenine dinucleotide: P68 (vs. gap), G70 (vs. gap), T71 (vs. gap), G72 (≠ A80), T73 (≠ R81), G74 (= G82), G78 (≠ S86), V79 (≠ Q87), L90 (≠ S101), P132 (≠ T145), G133 (≠ A146), A134 (= A147), G140 (= G153), M141 (= M154), A143 (≠ G156), T144 (≠ N157), A146 (≠ S159), S147 (≠ C160), E200 (= E262), G201 (= G263), I206 (≠ S268), W321 (≠ L395), Y322 (≠ N396), E412 (= E487), H413 (= H488), N449 (= N524)
binding manganese (ii) ion: H368 (= H444), H375 (= H451), E412 (= E487)

8jdzA Crystal structure of mldhd in complex with 2-keto-3-methylvaleric acid (see paper)
25% identity, 49% coverage: 35:529/1002 of query aligns to 22:454/454 of 8jdzA

query
sites
8jdzA

K

S

A

A

D

V

R

R

G

E

R

Q

Y

H

A

G

T

H

D

D

A
x
E

S

S

I

M

Y

H

Q

R

I

C

M

Q

P

P

I

P

G

D

V

A

V

V

-

W

P

P

R

Q

D

N

Q

V

D

D

D

Q

L

V

L

S

T

R

V

V

L

A

D

S

I

L

A

C

R

Y

D

N

N

Q

H

G

V

V

P

P

I

I

L

I

-
x
P

-

F

-
x
G

-
x
T

A
x
G

R
x
T

G
|
G

A

V

G

E

T

G

S
x
G

Q
x
V

C

C

G

A

Q

V

T

Q

V

G

G

G

E

V

A

C

L

I

V

N

I
x
L

D

T

S

H

S

-

K

-

W

-

L

M

N

D

K

Q

V

I

I

T

N

E

F

L

D

N

P

T

A

E

T

D

R

F

T

S

V

V

T

V

V

V

E

E

P

P

G

G

I

V

V

T

L

R

D

K

H

A

L

L

N

N

A

T

W

H

L

L

K

R

P

D

H

S

G

G

L

L

W

W

F

F

P

P

V

V

D

D

V

-

S

-

T
x
P

A
x
G

A
|
A

Q

D

C

A

T

S

I

L

G

C

G
|
G

M
|
M

A

A

G
x
A

N
x
T

N

G

S
x
A

C
x
S

G

G

S

T

R

N

S

A

I

V

E

R

Y

Y

G

G

N

T

M

M

V

R

H

D

N

N

V

V

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I

A

N

I

L

D

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A

V

V

V

L

L

A

P

D

D

G

G

T

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Q

-

G

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F

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R

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M

-

P

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A

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T

-

A

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M

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D

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L

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G

-

L

L

Q

L

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H

I

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A

A

Q

G

R

R

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G

R

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S

-

E

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I

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R

-

V

-

P

-

K

H

V

Y

L

R

R

K

R

S

V

A

G

A

G

G

Y

Y

N

N

I

-

D

-

I

-

F

-

D

-

C

-

Q

-

N

-

P

-

R

-

A

-

Y

-

T

-

D

-

G

-

V

-

A

-

N

-

L

L

A

T

H

G

I

L

L

F

V

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

A

G

Y

I

S
x
I

R

T

Q

S

L

T

T

T

L

L

A

R

L

L

L

H

P

P

L

A

P

P

E

E

H

A

K

T

V

V

L

A

G

A

V

T

V

C

N

A

F

F

P

P

T

S

F

V

Y

Q

Q

A

A

A

M

V

D

D

L

S

T

T

Q

V

H

Q

I

I

V

L

K

Q

L

A

G

A

-

V

P

P

T

V

A

A

-

R

V

I

E

E

L

F

V

L

D

D

R

D

T

V

M

M

I

M

D

D

L

A

A

C

M

N

G

R

N

H

P

S

A

L

F

N

K

C

P

P

V

V

I

-

E

-

K

-

A

-

L

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V

-

G

-

Q

-

P

-

Q

A

A

P

I

T

L

L

L

F

V

L

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E

F

F

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H

G

G

E

S

N

Q

L

-

D

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A

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L

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K

-

L

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A

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Q

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L

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Q

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L

L

M

A

A

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D

Q

L

L

Q

Q

L

R

P

T

G

E

A

A

V

I

V

T

Q

Q

M

D

R

N

G

G

-

G

-

S

-

H

-

F

-

S

-

W

-

A

A

A

A

E

D

K

Q

R

K

N

A

E

L

L

W

W

E

A

V

A

R
|
R

K

H

A

N

G

A

L
x
W

N

Y

I

A

M

A

M

L

S

A

M

L

K

S

G

P

D

G

G

S

K

K

P

-

V

-

S

A

F

Y

I

S

E

T

D

D

C

V

A

C

V

V

P

P

L

I

E

S

H

R

L

L

A

P

E

E

Y

I

T

L

S

V

Q

E

L

T

T

K

E

E

V

E

F

I

H

K

K

A

Y

S

G

K

T

L

E

T

G

G

T

A

W

I

Y

V

A

G

H
|
H

A

V

S

G

V

D

G

G

T

N

L

F

H
|
H

V

C

R

I

P

L

I

L

L

V

D

D

M

P

R

D

R

-

G

-

A

A

K

E

D

E

M

Q

R

R

E

R

I

V

A

K

E

A

A

F

A

A

S

E

A

N

L

L

V

G

R

R

K

R

-

A

-

L

-

A

Y

L

K

G

G

G

A

T

Y

C

S

T

G

G

E
|
E

H
|
H

G

G

D

I

G

G

L

L

C

G

R

K

G

R

E

Q

W

L

V

L

A

Q

W

E

Q

E

Y

V

G

G

P

P

K

V

I

G

N

V

A

E

A

T

F

M

S

R

E

Q

I

L

K

K

E

N

L

T

F

L

D

D

P

P

E

R

N

G

R

L

F

M

N
|
N

P

P

D

G

K

K

I

V

V

L

binding (3S)-3-methyl-2-oxopentanoic acid: R318 (= R391), W322 (≠ L395), H369 (= H444), H376 (= H451), H413 (= H488)
binding flavin-adenine dinucleotide: E32 (≠ A45), P68 (vs. gap), G70 (vs. gap), T71 (vs. gap), G72 (≠ A80), T73 (≠ R81), G74 (= G82), G78 (≠ S86), V79 (≠ Q87), L90 (≠ I98), P132 (≠ T145), G133 (≠ A146), A134 (= A147), G140 (= G153), M141 (= M154), A143 (≠ G156), T144 (≠ N157), A146 (≠ S159), S147 (≠ C160), E200 (= E262), G201 (= G263), I206 (≠ S268), W322 (≠ L395), E412 (= E487), H413 (= H488), N449 (= N524)
binding manganese (ii) ion: H369 (= H444), H376 (= H451), E412 (= E487)

8jdyA Crystal structure of mldhd in complex with 2-ketoisocaproic acid (see paper)
25% identity, 49% coverage: 35:529/1002 of query aligns to 22:454/454 of 8jdyA

query
sites
8jdyA

K

S

A

A

D

V

R

R

G

E

R

Q

Y

H

A

G

T

H

D

D

A

E

S

S

I

M

Y

H

Q

R

I

C

M

Q

P

P

I

P

G

D

V

A

V

V

-

W

P

P

R

Q

D

N

Q

V

D

D

D

Q

L

V

L

S

T

R

V

V

L

A

D

S

I

L

A

C

R

Y

D

N

N

Q

H

G

V

V

P

P

I

I

L

I

-
x
P

-

F

-
x
G

-
x
T

A
x
G

R
x
T

G
|
G

A

V

G

E

T

G

S
x
G

Q
x
V

C

C

G

A

Q

V

T

Q

V

G

G

G

E

V

A

C

L

I

V

N

I
x
L

D

T

S

H

S

-

K

-

W

-

L

M

N

D

K

Q

V

I

I

T

N

E

F

L

D

N

P

T

A

E

T

D

R

F

T

S

V

V

T

V

V

V

E

E

P

P

G

G

I

V

V

T

L

R

D

K

H

A

L

L

N

N

A

T

W

H

L

L

K

R

P

D

H

S

G

G

L

L

W

W

F

F

P

P

V

V

D

D

V

-

S

-

T
x
P

A
x
G

A
|
A

Q

D

C

A

T

S

I

L

G

C

G
|
G

M
|
M

A

A

G
x
A

N
x
T

N

G

S
x
A

C
x
S

G

G

S

T

R

N

S

A

I

V

E

R

Y

Y

G

G

N

T

M

M

V

R

H

D

N

N

V

V

T

I

A

N

I

L

D

E

A

V

V

V

L

L

A

P

D

D

G

G

T

R

Q

-

G

-

R

-

F

-

E

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R

-

L

-

D

-

R

-

M

-

P

-

A

-

T

-

A

-

R

-

M

-

D

-

E

-

L

-

V

-

A

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G

-

L

L

Q

L

R

H

I

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A

A

Q

G

R

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G

R

R

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-

E

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I

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R

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V

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P

-

K

H

V

Y

L

R

R

K

R

S

V

A

G

A

G

G

Y

Y

N

N

I

-

D

-

I

-

F

-

D

-

C

-

Q

-

N

-

P

-

R

-

A

-

Y

-

T

-

D

-

G

-

V

-

A

-

N

-

L

L

A

T

H

G

I

L

L

F

V

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

A

G

Y

I

S
x
I

R

T

Q

S

L

T

T

T

L

L

A

R

L

L

L

H

P

P

L

A

P

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H

A

K

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V

V

L

A

G

A

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C

N

A

F

F

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P

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F

V

Y

Q

Q

A

A

A

M

V

D

D

L

S

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V

H

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K

Q

L

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-

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P

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R

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D

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M

M

I

M

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Q

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D

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G

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G

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H

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F

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A

A

A

A

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D

K

Q

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L

L

W

W

E

A

V

A

R
|
R

K

H

A

N

G

A

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x
W

N

Y

I

A

M

A

M

L

S

A

M

L

K

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G

P

D

G

G

S

K

K

P

-

V

-

S

A

F

Y

I
x
S

E

T

D

D

C

V

A

C

V

V

P

P

L

I

E

S

H

R

L

L

A

P

E

E

Y

I

T

L

S

V

Q

E

L

T

T

K

E

E

V

E

F

I

H

K

K

A

Y

S

G

K

T

L

E

T

G

G

T

A

W

I

Y

V

A

G

H
|
H

A

V

S

G

V

D

G

G

T

N

L

F

H
|
H

V

C

R

I

P

L

I

L

L

V

D

D

M

P

R

D

R

-

G

-

A

A

K

E

D

E

M

Q

R

R

E

R

I

V

A

K

E

A

A

F

A

A

S

E

A

N

L

L

V

G

R

R

K

R

-

A

-

L

-

A

Y

L

K

G

G

G

A

T

Y

C

S

T

G

G

E
|
E

H
|
H

G

G

D

I

G

G

L

L

C

G

R

K

G

R

E

Q

W

L

V

L

A

Q

W

E

Q

E

Y

V

G

G

P

P

K

V

I

G

N

V

A

E

A

T

F

M

S

R

E

Q

I

L

K

K

E

N

L

T

F

L

D

D

P

P

E

R

N

G

R

L

F

M

N
|
N

P

P

D

G

K

K

I

V

V

L

binding 2-oxo-4-methylpentanoic acid: R318 (= R391), W322 (≠ L395), S336 (≠ I411), H369 (= H444), H376 (= H451), H413 (= H488)
binding flavin-adenine dinucleotide: P68 (vs. gap), G70 (vs. gap), T71 (vs. gap), G72 (≠ A80), T73 (≠ R81), G74 (= G82), G78 (≠ S86), V79 (≠ Q87), L90 (≠ I98), P132 (≠ T145), G133 (≠ A146), A134 (= A147), G140 (= G153), M141 (= M154), A143 (≠ G156), T144 (≠ N157), A146 (≠ S159), S147 (≠ C160), E200 (= E262), G201 (= G263), I206 (≠ S268), E412 (= E487), N449 (= N524)
binding manganese (ii) ion: H369 (= H444), H376 (= H451), E412 (= E487)

8jdsA Crystal structure of mldhd in complex with pyruvate (see paper)
25% identity, 49% coverage: 35:529/1002 of query aligns to 22:456/456 of 8jdsA

query
sites
8jdsA

K

S

A

A

D

V

R

R

G

E

R

Q

Y

H

A

G

T

H

D

D

A
x
E

S

S

I

M

Y

H

Q

R

I

C

M

Q

P

P

I

P

G

D

V

A

V

V

-

W

P

P

R

Q

D

N

Q

V

D

D

D

Q

L

V

L

S

T

R

V

V

L

A

D

S

I

L

A

C

R

Y

D

N

N

Q

H

G

V

V

P

P

I

I

L

I

-
x
P

-

F

-
x
G

-
x
T

A
x
G

R
x
T

G
|
G

A

V

G

E

T

G

S
x
G

Q
x
V

C

C

G

A

Q

V

T

Q

V

G

G

G

E

V

A

C

L

I

V

N

I
x
L

D

T

S

H

S

-

K

-

W

-

L

M

N

D

K

Q

V

I

I

T

N

E

F

L

D

N

P

T

A

E

T

D

R

F

T

S

V

V

T

V

V

V

E

E

P

P

G

G

I

V

V

T

L

R

D

K

H

A

L

L

N

N

A

T

W

H

L

L

K

R

P

D

H

S

G

G

L

L

W

W

F

F

P

P

V

V

D

D

V

-

S

-

T
x
P

A
x
G

A
|
A

Q

D

C

A

T

S

I

L

G

C

G
|
G

M
|
M

A

A

G
x
A

N
x
T

N

G

S
x
A

C
x
S

G

G

S

T

R

N

S

A

I

V

E

R

Y

Y

G

G

N

T

M

M

V

R

H

D

N

N

V

V

T

I

A

N

I

L

D

E

A

V

V

V

L

L

A

P

D

D

G

G

T

R

Q

-

G

-

R

-

F

-

E

-

R

-

L

-

D

-

R

-

M

-

P

-

A

-

T

-

A

-

R

-

M

-

D

-

E

-

L

-

V

-

A

-

G

-

L

L

Q

L

R

H

I

T

A

A

Q

G

R

R

E

G

R

R

S

-

E

-

I

-

A

-

E

-

R

-

V

-

P

-

K

H

V

Y

L

R

R

K

R

S

V

A

G

A

G

G

Y

Y

N

-

I

-

D

-

I

-

F

-

D

-

C

-

Q

-

N

-

P

-

R

-

A

-

Y

-

T

-

D

-

G

-

V

-

A

-

N

N

L

L

A

T

H

G

I

L

L

F

V

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

A

G

Y

I

S
x
I

R

T

Q

S

L

T

T

T

L

L

A

R

L

L

L

H

P

P

L

A

P

P

E

E

H

A

K

T

V

V

L

A

G

A

V

T

V

C

N

A

F

F

P

P

T

S

F

V

Y

Q

Q

A

A

A

M

V

D

D

L

S

T

T

Q

V

H

Q

I

I

V

L

K

Q

L

A

G

A

-

V

P

P

T

V

A

A

-

R

V

I

E

E

L

F

V

L

D

D

R

D

T

V

M

M

I

M

D

D

L

A

A

C

M

N

G

R

N

H

P

S

A

K

F

L

K

N

-

C

P

P

V

V

I

-

E

-

K

-

A

-

L

-

V

-

G

-

Q

-

P

-

Q

A

A

P

I

T

L

L

L

F

V

L

E

E

F

F

S

H

G

G

E

S

N

Q

L

-

D

-

A

-

L

-

K

-

L

-

A

-

Q

-

L

-

D

Q

E

T

L

L

M

A

A

E

D

Q

L

L

Q

Q

L

R

P

T

G

E

A

A

V

I

V

T

Q

Q

M

D

R

N

G

G

-

G

-

S

-

H

-

F

-

S

-

W

-

A

A

A

A

E

D

K

Q

R

K

N

A

E

L

L

W

W

E

A

V

A

R
|
R

K

H

A

N

G

A

L
x
W

N

Y

I

A

M

A

M

L

S

A

M

L

K

S

G

P

D

G

G

S

K

K

P

-

V

-

S

A

F

Y

I

S

E

T

D

D

C

V

A

C

V

V

P

P

L

I

E

S

H

R

L

L

A

P

E

E

Y

I

T

L

S

V

Q

E

L

T

T

K

E

E

V

E

F

I

H

K

K

A

Y

S

G

K

T

L

E

T

G

G

T

A

W

I

Y

V

A

G

H
|
H

A

V

S

G

V

D

G

G

T

N

L

F

H
|
H

V

C

R

-

P

-

I

I

L

L

D

L

M

V

R

D

R

P

G

D

A

A

K

E

D

E

M

Q

R

R

E

R

I

V

A

K

E

A

A

F

A

A

S

E

A

N

L

L

V

G

R

R

K

R

-

A

-

L

-

A

Y

L

K

G

G

G

A

T

Y

C

S

T

G

G

E
|
E

H
|
H

G

G

D

I

G

G

L

L

C

G

R

K

G

R

E

Q

W

L

V

L

A

Q

W

E

Q

E

Y

V

G

G

P

P

K

V

I

G

N

V

A

E

A

T

F

M

S

R

E

Q

I

L

K

K

E

N

L

T

F

L

D

D

P

P

E

R

N

G

R

L

F

M

N
|
N

P

P

D

G

K

K

I

V

V

L

binding flavin-adenine dinucleotide: E32 (≠ A45), P68 (vs. gap), G70 (vs. gap), T71 (vs. gap), G72 (≠ A80), T73 (≠ R81), G74 (= G82), G78 (≠ S86), V79 (≠ Q87), L90 (≠ I98), P132 (≠ T145), G133 (≠ A146), A134 (= A147), G140 (= G153), M141 (= M154), A143 (≠ G156), T144 (≠ N157), A146 (≠ S159), S147 (≠ C160), E200 (= E262), G201 (= G263), I206 (≠ S268), W323 (≠ L395), E414 (= E487), H415 (= H488), N451 (= N524)
binding manganese (ii) ion: H370 (= H444), H377 (= H451), E414 (= E487)
binding pyruvic acid: R319 (= R391), H370 (= H444), H377 (= H451), H415 (= H488)

8jdtA Crystal structure of mldhd in complex with 2-ketobutanoic acid (see paper)
25% identity, 49% coverage: 35:529/1002 of query aligns to 22:455/455 of 8jdtA

query
sites
8jdtA

K

S

A

A

D

V

R

R

G

E

R

Q

Y

H

A

G

T

H

D

D

A

E

S

S

I

M

Y

H

Q

R

I

C

M

Q

P

P

I

P

G

D

V

A

V

V

-

W

P

P

R

Q

D

N

Q

V

D

D

D

Q

L

V

L

S

T

R

V

V

L

A

D

S

I

L

A

C

R

Y

D

N

N

Q

H

G

V

V

P

P

I

I

L

I

-
x
P

-

F

-
x
G

-
x
T

A
x
G

R
x
T

G
|
G

A

V

G

E

T

G

S
x
G

Q
x
V

C

C

G

A

Q

V

T

Q

V

G

G

G

E

V

A

C

L

I

V

N

I
x
L

D

T

S

H

S

-

K

-

W

-

L

M

N

D

K

Q

V

I

I

T

N

E

F

L

D

N

P

T

A

E

T

D

R

F

T

S

V

V

T

V

V

V

E

E

P

P

G

G

I

V

V

T

L

R

D

K

H

A

L

L

N

N

A

T

W

H

L

L

K

R

P

D

H

S

G

G

L

L

W

W

F

F

P

P

V

V

D

D

V

-

S

-

T
x
P

A
x
G

A
|
A

Q

D

C

A

T

S

I

L

G

C

G
|
G

M
|
M

A

A

G
x
A

N
x
T

N

G

S
x
A

C
x
S

G

G

S

T

R

N

S

A

I

V

E

R

Y

Y

G

G

N

T

M

M

V

R

H

D

N

N

V

V

T

I

A

N

I

L

D

E

A

V

V

V

L

L

A

P

D

D

G

G

T

R

Q

-

G

-

R

-

F

-

E

-

R

-

L

-

D

-

R

-

M

-

P

-

A

-

T

-

A

-

R

-

M

-

D

-

E

-

L

-

V

-

A

-

G

-

L

L

Q

L

R

H

I

T

A

A

Q

G

R

R

E

G

R

R

S

-

E

-

I

-

A

-

E

-

R

-

V

-

P

-

K

H

V

Y

L

R

R

K

R

S

V

A

G

A

G

G

Y

Y

N

-

I

-

D

-

I

-

F

-

D

-

C

-

Q

-

N

-

P

-

R

-

A

-

Y

-

T

-

D

-

G

-

V

-

A

-

N

N

L

L

A

T

H

G

I

L

L

F

V

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

A

G

Y

I

S
x
I

R

T

Q

S

L

T

T

T

L

L

A

R

L

L

L

H

P

P

L

A

P

P

E

E

H

A

K

T

V

V

L

A

G

A

V

T

V

C

N

A

F

F

P

P

T

S

F

V

Y

Q

Q

A

A

A

M

V

D

D

L

S

T

T

Q

V

H

Q

I

I

V

L

K

Q

L

A

G

A

-

V

P

P

T

V

A

A

-

R

V

I

E

E

L

F

V

L

D

D

R

D

T

V

M

M

I

M

D

D

L

A

A

C

M

N

G

R

N

H

P

S

A

K

F

L

K

N

-

C

P

P

V

V

I

-

E

-

K

-

A

-

L

-

V

-

G

-

Q

-

P

-

Q

A

A

P

I

T

L

L

L

F

V

L

E

E

F

F

S

H

G

G

E

S

N

Q

L

-

D

-

A

-

L

-

K

-

L

-

A

-

Q

-

L

-

D

Q

E

T

L

L

M

A

A

E

D

Q

L

L

Q

Q

L

R

P

T

G

E

A

A

V

I

V

T

Q

Q

M

D

R

N

G

G

-

G

-

S

-

H

-

F

-

S

-

W

A

A

A

E

D

K

Q

R

K

N

A

E

L

L

W

W

E

A

V

A

R
|
R

K

H

A

N

G

A

L
x
W

N

Y

I

A

M

A

M

L

S

A

M

L

K

S

G

P

D

G

G

S

K

K

P

-

V

-

S

A

F

Y

I

S

E

T

D

D

C

V

A

C

V

V

P

P

L

I

E

S

H

R

L

L

A

P

E

E

Y

I

T

L

S

V

Q

E

L

T

T

K

E

E

V

E

F

I

H

K

K

A

Y

S

G

K

T

L

E

T

G

G

T

A

W

I

Y

V

A

G

H
|
H

A

V

S

G

V

D

G

G

T

N

L

F

H
|
H

V

C

R

-

P

-

I

I

L

L

D

L

M

V

R

D

R

P

G

D

A

A

K

E

D

E

M

Q

R

R

E

R

I

V

A

K

E

A

A

F

A

A

S

E

A

N

L

L

V

G

R

R

K

R

-

A

-

L

-

A

Y

L

K

G

G

G

A

T

Y

C

S

T

G

G

E
|
E

H
|
H

G

G

D

I

G

G

L

L

C

G

R

K

G

R

E

Q

W

L

V

L

A

Q

W

E

Q

E

Y

V

G

G

P

P

K

V

I

G

N

V

A

E

A

T

F

M

S

R

E

Q

I

L

K

K

E

N

L

T

F

L

D

D

P

P

E

R

N

G

R

L

F

M

N
|
N

P

P

D

G

K

K

I

V

V

L

binding 2-ketobutyric acid: R318 (= R391), H369 (= H444), H376 (= H451), H414 (= H488)
binding flavin-adenine dinucleotide: P68 (vs. gap), G70 (vs. gap), T71 (vs. gap), G72 (≠ A80), T73 (≠ R81), G74 (= G82), G78 (≠ S86), V79 (≠ Q87), L90 (≠ I98), P132 (≠ T145), G133 (≠ A146), A134 (= A147), G140 (= G153), M141 (= M154), A143 (≠ G156), T144 (≠ N157), A146 (≠ S159), S147 (≠ C160), E200 (= E262), G201 (= G263), I206 (≠ S268), W322 (≠ L395), E413 (= E487), H414 (= H488), N450 (= N524)
binding manganese (ii) ion: H369 (= H444), H376 (= H451), E413 (= E487)

8jduA Crystal structure of mldhd in complex with 2-ketovaleric acid (see paper)
25% identity, 49% coverage: 35:529/1002 of query aligns to 22:455/455 of 8jduA

query
sites
8jduA

K

S

A

A

D

V

R

R

G

E

R

Q

Y

H

A

G

T

H

D

D

A

E

S

S

I

M

Y

H

Q

R

I

C

M

Q

P

P

I

P

G

D

V

A

V

V

-

W

P

P

R

Q

D

N

Q

V

D

D

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L

binding 2-oxopentanoic acid: R318 (= R391), W322 (≠ L395), H369 (= H444), H376 (= H451), H414 (= H488)
binding flavin-adenine dinucleotide: P68 (vs. gap), G70 (vs. gap), T71 (vs. gap), G72 (≠ A80), T73 (≠ R81), G74 (= G82), G78 (≠ S86), V79 (≠ Q87), L90 (≠ I98), P132 (≠ T145), G133 (≠ A146), A134 (= A147), G140 (= G153), M141 (= M154), A143 (≠ G156), T144 (≠ N157), A146 (≠ S159), S147 (≠ C160), E200 (= E262), G201 (= G263), I206 (≠ S268), W322 (≠ L395), E413 (= E487), N450 (= N524)
binding manganese (ii) ion: H369 (= H444), H376 (= H451), E413 (= E487)

8jdrA Crystal structure of h405a mldhd in complex with d-2-hydroxy-3-methyl- valeric acid (see paper)
25% identity, 49% coverage: 35:529/1002 of query aligns to 22:456/456 of 8jdrA

query
sites
8jdrA

K

S

A

A

D

V

R

R

G

E

R

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Y

H

A

G

T

H

D

D

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