SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_076582863.1 NCBI__GCF_001971705.1:WP_076582863.1 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)
40% identity, 96% coverage: 14:461/467 of query aligns to 9:455/455 of 8jdeA

query
sites
8jdeA

L

L

E

K

D

A

A

V

V

V

E

G

D

S

G

P

R

H

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V

A

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Y

T

E

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E

H

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M

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L

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A

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W

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L

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E

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I

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P

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x
G

G
x
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E

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x
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A

A

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L

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-

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E

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L

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G

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F

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-

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-

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x
A

I

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A

A

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L

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G

M
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M

V

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A
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A

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T

N

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A

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S

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F

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N

A

A

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V

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R

Y

Y

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G

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M

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N

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E

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A

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D

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-

A

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R

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H

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Y

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R

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K

T

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E
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E

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G

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L

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G

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x
I

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L

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R

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L

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G

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A

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R

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x
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D

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P

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D

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A

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V

Q

A

R

R

R

A

V

H

K

E

A

L

F

N

A

E

E

R

N

V

L

V

G

S

R

K

R

A

A

L

L

E

A

L

L

G

G

S

T

A

C

T

T

G

G

E
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E

H
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H

G

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V

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G

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I

L

G

G

K

K

R

R

K

Q

F

L

M

L

A

Q

E

E

H

V

G

G

-

P

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V

A

G

L

V

D

E

L

T

M

M

R

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S

Q

I

L

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K

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T

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L

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D

P

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binding flavin-adenine dinucleotide: P68 (= P73), G70 (≠ S75), T71 (≠ G76), G72 (= G77), T73 (≠ S78), G74 (= G79), G78 (≠ N83), V79 (≠ A84), L90 (≠ T95), P132 (≠ S138), G133 (= G139), A134 (≠ D140), G140 (= G146), M141 (= M147), A143 (= A149), T144 (= T150), A146 (= A152), S147 (= S153), E200 (= E203), G201 (= G204), I206 (≠ V209), W322 (≠ Y328), E413 (= E420), H414 (= H421), N450 (= N456)
binding lactic acid: R318 (= R324), H369 (= H376), H376 (= H383), H414 (= H421)
binding manganese (ii) ion: H369 (= H376), H376 (= H383), E413 (= E420)

8jdsA Crystal structure of mldhd in complex with pyruvate (see paper)
39% identity, 96% coverage: 14:461/467 of query aligns to 9:456/456 of 8jdsA

query
sites
8jdsA

L

L

E

K

D

A

A

V

V

V

E

G

D

S

G

P

R

H

V

V

A

S

Y

T

E

A

A

S

S

A

V

V

R

R

E

E

Q

Q

Y

H

A

G

E

H

D

D

A
x
E

S

S

P

M

H

H

A

R

G

C

R

Q

L

P

P

P

D

D

A

A

V

V

W

W

P

P

A

Q

S

N

T

V

E

D

E

Q

V

V

A

S

A

R

V

V

L

A

S

S

A

L

A

C

N

Y

D

N

R

Q

E

G

I

V

P

P

V

I

T

I

P
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P

W

F

S
x
G

G
x
T

G
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G

S
x
T

G
|
G

L

V

E

E

G

G

N
x
G

A
x
V

I

C

P

A

A

V

S

Q

G

G

I

V

V

C

L

I

T

N

T
x
L

A

T

D

H

L

M

D

D

Q

Q

I

I

S

T

-

E

V

L

S

N

P

T

D

E

D

D

L

F

H

S

A

V

T

V

V

V

G

E

A

P

G

G

V

V

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Y

R

D

K

D

A

L

L

N

N

E

T

H

H

L

L

A

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D

H

S

G

G

L

L

R

W

F

F

A

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P

-

G

-

I

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D

S
x
P

G
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G

D
x
A

I

D

A

A

T

S

L

L

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C

G
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G

M
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M

V

A

A
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A

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T

N

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A
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A

S
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S

G

G

F

T

N

N

A

A

V

V

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R

Y

Y

G

G

E

T

T

M

R

R

N

D

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N

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L

L

E

E

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L

A

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D

D

G

G

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A

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H

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D

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G

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A

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R

A

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H

K

E

A

L

F

N

A

E

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R

N

V

L

V

G

S

R

K

R

A

A

L

L

E

A

L

L

G

G

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T

A

C

T

T

G

G

E
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E

H
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H

G

G

V

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G

G

I

L

G

G

K

K

R

R

K

Q

F

L

M

L

A

Q

E

E

H

V

G

G

-

P

V

V

A

G

L

V

D

E

L

T

M

M

R

R

S

Q

I

L

K

K

D

N

T

T

L

L

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L

binding flavin-adenine dinucleotide: E32 (≠ A37), P68 (= P73), G70 (≠ S75), T71 (≠ G76), G72 (= G77), T73 (≠ S78), G74 (= G79), G78 (≠ N83), V79 (≠ A84), L90 (≠ T95), P132 (≠ S138), G133 (= G139), A134 (≠ D140), G140 (= G146), M141 (= M147), A143 (= A149), T144 (= T150), A146 (= A152), S147 (= S153), E200 (= E203), G201 (= G204), I206 (≠ V209), W323 (≠ Y328), E414 (= E420), H415 (= H421), N451 (= N456)
binding manganese (ii) ion: H370 (= H376), H377 (= H383), E414 (= E420)
binding pyruvic acid: R319 (= R324), H370 (= H376), H377 (= H383), H415 (= H421)

8jdxA Crystal structure of mldhd in complex with 2-ketoisovaleric acid (see paper)
39% identity, 96% coverage: 14:461/467 of query aligns to 9:455/455 of 8jdxA

query
sites
8jdxA

L

L

E

K

D

A

A

V

V

V

E

G

D

S

G

P

R

H

V

V

A

S

Y

T

E

A

A

S

S

A

V

V

R

R

E

E

Q

Q

Y

H

A

G

E

H

D

D

A
x
E

S

S

P

M

H

H

A

R

G

C

R

Q

L

P

P

P

D

D

A

A

V

V

W

W

P

P

A

Q

S

N

T

V

E

D

E

Q

V

V

A

S

A

R

V

V

L

A

S

S

A

L

A

C

N

Y

D

N

R

Q

E

G

I

V

P

P

V

I

T

I

P
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P

W

F

S
x
G

G
x
T

G
|
G

S
x
T

G
|
G

L

V

E

E

G

G

N
x
G

A
x
V

I

C

P

A

A

V

S

Q

G

G

I

V

V

C

L

I

T

N

T
x
L

A

T

D

H

L

M

D

D

Q

Q

I

I

S

T

-

E

V

L

S

N

P

T

D

E

D

D

L

F

H

S

A

V

T

V

V

V

G

E

A

P

G

G

V

V

V

T

Y

R

D

K

D

A

L

L

N

N

E

T

H

H

L

L

A

R

Q

D

H

S

G

G

L

L

R

W

F

F

A

P

P

-

G

-

I

V

S

D

S
x
P

G
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G

D
x
A

I

D

A

A

T

S

L

L

G

C

G
|
G

M
|
M

V

A

A
|
A

T
|
T

N

G

A
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A

S
|
S

G

G

F

T

N

N

A

A

V

V

R

R

Y

Y

G

G

E

T

T

M

R

R

N

D

H

N

V

V

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I

R

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L

L

E

E

V

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L

A

P

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D

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G

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I

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A

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M

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L

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A

A

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R

I

-

D

N

D

E

I

L

W

W

Q

A

A

A

R
|
R

R

H

D

N

K

A

Y
x
W

W

Y

A

A

T

A

T

L

S

A

Y

L

R

S

E

P

E

G

W

S

E

K

V

-

A

A

L

Y

V

S

G

T

D

D

V

V

V

C

V

V

P

P

I

I

S

S

N

R

Y

L

P

P

D

E

I

I

V

L

Q

V

E

E

V

T

S

K

D

E

A

E

G

I

E

K

D

A

L

S

D

K

L

L

T

T

V

G

S

A

C

I

V

V

G

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H
|
H

Y

C

T

I

P

L

L

L

V

V

D

D

P

P

D

D

E

A

E

E

M

E

V

Q

A

R

R

R

A

V

H

K

E

A

L

F

N

A

E

E

R

N

V

L

V

G

S

R

K

R

A

A

L

L

E

A

L

L

G

G

S

T

A

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

I

L

G

G

K

K

R

R

K

Q

F

L

M

L

A

Q

E

E

H

V

G

G

-

P

V

V

A

G

L

V

D

E

L

T

M

M

R

R

S

Q

I

L

K

K

D

N

T

T

L

L

D

D

P

P

K

R

G

G

I

L

L

M

N
|
N

P

P

G

G

K

K

V

V

I

L

binding flavin-adenine dinucleotide: E32 (≠ A37), P68 (= P73), G70 (≠ S75), T71 (≠ G76), G72 (= G77), T73 (≠ S78), G74 (= G79), G78 (≠ N83), V79 (≠ A84), L90 (≠ T95), P132 (≠ S138), G133 (= G139), A134 (≠ D140), G140 (= G146), M141 (= M147), A143 (= A149), T144 (= T150), A146 (= A152), S147 (= S153), E200 (= E203), G201 (= G204), I206 (≠ V209), W322 (≠ Y328), E413 (= E420), H414 (= H421), N450 (= N456)
binding 3-methyl-2-oxobutanoic acid: R318 (= R324), H369 (= H376), H376 (= H383), H414 (= H421)
binding manganese (ii) ion: H369 (= H376), H376 (= H383), E413 (= E420)

8jdvA Crystal structure of mldhd in complex with 2-ketohexanoic acid (see paper)
39% identity, 96% coverage: 14:461/467 of query aligns to 9:454/454 of 8jdvA

query
sites
8jdvA

L

L

E

K

D

A

A

V

V

V

E

G

D

S

G

P

R

H

V

V

A

S

Y

T

E

A

A

S

S

A

V

V

R

R

E

E

Q

Q

Y

H

A

G

E

H

D

D

A

E

S

S

P

M

H

H

A

R

G

C

R

Q

L

P

P

P

D

D

A

A

V

V

W

W

P

P

A

Q

S

N

T

V

E

D

E

Q

V

V

A

S

A

R

V

V

L

A

S

S

A

L

A

C

N

Y

D

N

R

Q

E

G

I

V

P

P

V

I

T

I

P
|
P

W

F

S
x
G

G
x
T

G
|
G

S
x
T

G
|
G

L
x
V

E

E

G

G

N
x
G

A
x
V

I

C

P

A

A

V

S

Q

G

G

I

V

V

C

L

I

T

N

T
x
L

A

T

D

H

L

M

D

D

Q

Q

I

I

S

T

-

E

V

L

S

N

P

T

D

E

D

D

L

F

H

S

A

V

T

V

V

V

G

E

A

P

G

G

V

V

V

T

Y

R

D

K

D

A

L

L

N

N

E

T

H

H

L

L

A

R

Q

D

H

S

G

G

L

L

R

W

F

F

A

P

P

-

G

-

I

V

S

D

S
x
P

G
|
G

D
x
A

I

D

A

A

T

S

L

L

G

C

G
|
G

M
|
M

V

A

A
|
A

T
|
T

N

G

A
|
A

S
|
S

G

G

F

T

N

N

A

A

V

V

R

R

Y

Y

G

G

E

T

T

M

R

R

N

D

H

N

V

V

R

I

R

N

L

L

E

E

V

V

T

L

A

P

D

D

G

G

R

R

I

L

V

L

E

H

C

T

-

A

-

G

-

R

G

G

R

R

D

H

V

Y

V

R

K

K

T

S

S

A

A

A

G

G

Y

Y

S

N

L

L

K

T

D

G

L

L

I

F

I

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

V

I

V
x
I

T

T

E

S

V

T

T

T

V

L

G

R

L

L

V

H

G

P

V

A

P

P

E

E

H

A

R

T

R

V

A

A

L

T

V

C

T

A

F

F

P

P

S

S

R

V

E

Q

D

A

A

A

S

V

R

D

A

S

V

T

S

V

D

Q

A

I

I

L

G

Q

S

A

A

A

L

V

V

P

P

V

G

A

A

R

I

I

E

E

F

F

M

L

D

D

R

D

M

V

S

M

I

M

R

D

M

A

L

C

N

N

A

-

Y

R

H

H

D

S

D

K

L

L

E

N

F

C

E

P

E

V

Q

A

P

P

T

T

L

L

L

F

I

L

E

E

L

F

H

H

A

G

N

S

N

Q

D

Q

G

T

I

L

E

A

E

E

D

Q

L

L

A

Q

F

R

A

T

K

E

L

A

I

I

C

T

E

Q

D

D

H

N

G

G

M

G

E

S

S

H

W

F

T

S

A

A

A

-

E

-

E

E

N

K

I

R

D

N

D

E

I

L

W

W

Q

A

A

A

R
|
R

R

H

D

N

K

A

Y
x
W

W
x
Y

A

A

T

A

T

L

S

A

Y

L

R

S

E

P

E

G

W

S

E

K

V

-

A

A

L

Y

V

S

G

T

D

D

V

V

V

C

V

V

P

P

I

I

S

S

N

R

Y

L

P

P

D

E

I

I

V

L

Q

V

E

E

V

T

S

K

D

E

A

E

G

I

E

K

D

A

L

S

D

K

L

L

T

T

V

G

S

A

C

I

V

V

G

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H
|
H

Y

C

T

I

P

L

L

L

V

V

D

D

P

P

D

D

E

A

E

E

M

E

V

Q

A

R

R

R

A

V

H

K

E

A

L

F

N

A

E

E

R

N

V

L

V

G

S

R

K

R

A

A

L

L

E

A

L

L

G

G

S

T

A

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

I

L

G

G

K

K

R

R

K

Q

F

L

M

L

A

Q

E

E

H

V

G

G

-

P

V

V

A

G

L

V

D

E

L

T

M

M

R

R

S

Q

I

L

K

K

D

N

T

T

L

L

D

D

P

P

K

R

G

G

I

L

L

M

N
|
N

P

P

G

G

K

K

V

V

I

L

binding 2-Ketohexanoic acid: V75 (≠ L80), R317 (= R324), W321 (≠ Y328), H368 (= H376), H375 (= H383), H413 (= H421)
binding flavin-adenine dinucleotide: P68 (= P73), G70 (≠ S75), T71 (≠ G76), G72 (= G77), T73 (≠ S78), G74 (= G79), G78 (≠ N83), V79 (≠ A84), L90 (≠ T95), P132 (≠ S138), G133 (= G139), A134 (≠ D140), G140 (= G146), M141 (= M147), A143 (= A149), T144 (= T150), A146 (= A152), S147 (= S153), E200 (= E203), G201 (= G204), I206 (≠ V209), W321 (≠ Y328), Y322 (≠ W329), E412 (= E420), H413 (= H421), N449 (= N456)
binding manganese (ii) ion: H368 (= H376), H375 (= H383), E412 (= E420)

8jdtA Crystal structure of mldhd in complex with 2-ketobutanoic acid (see paper)
39% identity, 96% coverage: 14:461/467 of query aligns to 9:455/455 of 8jdtA

query
sites
8jdtA

L

L

E

K

D

A

A

V

V

V

E

G

D

S

G

P

R

H

V

V

A

S

Y

T

E

A

A

S

S

A

V

V

R

R

E

E

Q

Q

Y

H

A

G

E

H

D

D

A

E

S

S

P

M

H

H

A

R

G

C

R

Q

L

P

P

P

D

D

A

A

V

V

W

W

P

P

A

Q

S

N

T

V

E

D

E

Q

V

V

A

S

A

R

V

V

L

A

S

S

A

L

A

C

N

Y

D

N

R

Q

E

G

I

V

P

P

V

I

T

I

P
|
P

W

F

S
x
G

G
x
T

G
|
G

S
x
T

G
|
G

L

V

E

E

G

G

N
x
G

A
x
V

I

C

P

A

A

V

S

Q

G

G

I

V

V

C

L

I

T

N

T
x
L

A

T

D

H

L

M

D

D

Q

Q

I

I

S

T

-

E

V

L

S

N

P

T

D

E

D

D

L

F

H

S

A

V

T

V

V

V

G

E

A

P

G

G

V

V

V

T

Y

R

D

K

D

A

L

L

N

N

E

T

H

H

L

L

A

R

Q

D

H

S

G

G

L

L

R

W

F

F

A

P

P

-

G

-

I

V

S

D

S
x
P

G
|
G

D
x
A

I

D

A

A

T

S

L

L

G

C

G
|
G

M
|
M

V

A

A
|
A

T
|
T

N

G

A
|
A

S
|
S

G

G

F

T

N

N

A

A

V

V

R

R

Y

Y

G

G

E

T

T

M

R

R

N

D

H

N

V

V

R

I

R

N

L

L

E

E

V

V

T

L

A

P

D

D

G

G

R

R

I

L

V

L

E

H

C

T

-

A

-

G

-

R

G

G

R

R

D

H

V

Y

V

R

K

K

T

S

S

A

A

A

G

G

Y

Y

S

N

L

L

K

T

D

G

L

L

I

F

I

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

V

I

V
x
I

T

T

E

S

V

T

T

T

V

L

G

R

L

L

V

H

G

P

V

A

P

P

E

E

H

A

R

T

R

V

A

A

L

T

V

C

T

A

F

F

P

P

S

S

R

V

E

Q

D

A

A

A

S

V

R

D

A

S

V

T

S

V

D

Q

A

I

I

L

G

Q

S

A

A

A

L

V

V

P

P

V

G

A

A

R

I

I

E

E

F

F

M

L

D

D

R

D

M

V

S

M

I

M

R

D

M

A

L

C

N

N

A

-

Y

R

H

H

D

S

D

K

L

L

E

N

F

C

E

P

E

V

Q

A

P

P

T

T

L

L

L

F

I

L

E

E

L

F

H

H

A

G

N

S

N

Q

D

Q

G

T

I

L

E

A

E

E

D

Q

L

L

A

Q

F

R

A

T

K

E

L

A

I

I

C

T

E

Q

D

D

H

N

G

G

M

G

E

S

S

H

W

F

T

S

A

W

A

A

A

E

E

K

E

R

N

N

I

-

D

-

D

E

I

L

W

W

Q

A

A

A

R
|
R

R

H

D

N

K

A

Y
x
W

W

Y

A

A

T

A

T

L

S

A

Y

L

R

S

E

P

E

G

W

S

E

K

V

-

A

A

L

Y

V

S

G

T

D

D

V

V

V

C

V

V

P

P

I

I

S

S

N

R

Y

L

P

P

D

E

I

I

V

L

Q

V

E

E

V

T

S

K

D

E

A

E

G

I

E

K

D

A

L

S

D

K

L

L

T

T

V

G

S

A

C

I

V

V

G

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H
|
H

Y

C

T

I

P

L

L

L

V

V

D

D

P

P

D

D

E

A

E

E

M

E

V

Q

A

R

R

R

A

V

H

K

E

A

L

F

N

A

E

E

R

N

V

L

V

G

S

R

K

R

A

A

L

L

E

A

L

L

G

G

S

T

A

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

I

L

G

G

K

K

R

R

K

Q

F

L

M

L

A

Q

E

E

H

V

G

G

-

P

V

V

A

G

L

V

D

E

L

T

M

M

R

R

S

Q

I

L

K

K

D

N

T

T

L

L

D

D

P

P

K

R

G

G

I

L

L

M

N
|
N

P

P

G

G

K

K

V

V

I

L

binding 2-ketobutyric acid: R318 (= R324), H369 (= H376), H376 (= H383), H414 (= H421)
binding flavin-adenine dinucleotide: P68 (= P73), G70 (≠ S75), T71 (≠ G76), G72 (= G77), T73 (≠ S78), G74 (= G79), G78 (≠ N83), V79 (≠ A84), L90 (≠ T95), P132 (≠ S138), G133 (= G139), A134 (≠ D140), G140 (= G146), M141 (= M147), A143 (= A149), T144 (= T150), A146 (= A152), S147 (= S153), E200 (= E203), G201 (= G204), I206 (≠ V209), W322 (≠ Y328), E413 (= E420), H414 (= H421), N450 (= N456)
binding manganese (ii) ion: H369 (= H376), H376 (= H383), E413 (= E420)

8jdpA Crystal structure of h405a mldhd in complex with d-2-hydroxyisovaleric acid (see paper)
39% identity, 96% coverage: 14:461/467 of query aligns to 9:455/455 of 8jdpA

query
sites
8jdpA

L

L

E

K

D

A

A

V

V

V

E

G

D

S

G

P

R

H

V

V

A

S

Y

T

E

A

A

S

S

A

V

V

R

R

E

E

Q

Q

Y

H

A

G

E

H

D

D

A

E

S

S

P

M

H

H

A

R

G

C

R

Q

L

P

P

P

D

D

A

A

V

V

W

W

P

P

A

Q

S

N

T

V

E

D

E

Q

V

V

A

S

A

R

V

V

L

A

S

S

A

L

A

C

N

Y

D

N

R

Q

E

G

I

V

P

P

V

I

T

I

P
|
P

W

F

S
x
G

G
x
T

G
|
G

S
x
T

G
|
G

L

V

E

E

G

G

N
x
G

A
x
V

I

C

P

A

A

V

S

Q

G

G

I

V

V

C

L

I

T

N

T
x
L

A

T

D

H

L

M

D

D

Q

Q

I

I

S

T

-

E

V

L

S

N

P

T

D

E

D

D

L

F

H

S

A

V

T

V

V

V

G

E

A

P

G

G

V

V

V

T

Y

R

D

K

D

A

L

L

N

N

E

T

H

H

L

L

A

R

Q

D

H

S

G

G

L

L

R

W

F

F

A

P

P

-

G

-

I

V

S

D

S
x
P

G
|
G

D
x
A

I

D

A

A

T

S

L

L

G

C

G
|
G

M
|
M

V

A

A
|
A

T
|
T

N

G

A
|
A

S
|
S

G

G

F

T

N

N

A

A

V

V

R

R

Y

Y

G

G

E

T

T

M

R

R

N

D

H

N

V

V

R

I

R

N

L

L

E

E

V

V

T

L

A

P

D

D

G

G

R

R

I

L

V

L

E

H

C

T

-

A

-

G

-

R

G

G

R

R

D

H

V

Y

V

R

K

K

T

S

S

A

A

A

G

G

Y

Y

S

N

L

L

K

T

D

G

L

L

I

F

I

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

V

I

V
x
I

T

T

E

S

V

T

T

T

V

L

G

R

L

L

V

H

G

P

V

A

P

P

E

E

H

A

R

T

R

V

A

A

L

T

V

C

T

A

F

F

P

P

S

S

R

V

E

Q

D

A

A

A

S

V

R

D

A

S

V

T

S

V

D

Q

A

I

I

L

G

Q

S

A

A

A

L

V

V

P

P

V

G

A

A

R

I

I

E

E

F

F

M

L

D

D

R

D

M

V

S

M

I

M

R

D

M

A

L

C

N

N

A

-

Y

R

H

H

D

S

D

K

L

L

E

N

F

C

E

P

E

V

Q

A

P

P

T

T

L

L

L

F

I

L

E

E

L

F

H

H

A

G

N

S

N

Q

D

Q

G

T

I

L

E

A

E

E

D

Q

L

L

A

Q

F

R

A

T

K

E

L

A

I

I

C

T

E

Q

D

D

H

N

G

G

M

G

E

S

S

H

W

F

T

S

A

W

A

A

E

E

E

K

N

R

I

-

D

N

D

E

I

L

W

W

Q

A

A

A

R
|
R

R

H

D

N

K

A

Y

W

W

Y

A

A

T

A

T

L

S

A

Y

L

R

S

E

P

E

S

W

-

E

-

V

K

A

A

L

Y

V

S

G

T

D

D

V

V

V

C

V

V

P

P

I

I

S

S

N

R

Y

L

P

P

D

E

I

I

V

L

Q

V

E

E

V

T

S

K

D

E

A

E

G

I

E

K

D

A

L

S

D

K

L

L

T

T

V

G

S

A

C

I

V

V

G

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H

A

Y

C

T

I

P

L

L

L

V

V

D

D

P

P

D

D

E

A

E

E

M

E

V

Q

A

R

R

R

A

V

H

K

E

A

L

F

N

A

E

E

R

N

V

L

V

G

S

R

K

R

A

A

L

L

E

A

L

L

G

G

S

T

A

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

I

L

G

G

K

K

R

R

K

Q

F

L

M

L

A

Q

E

E

H

V

G

G

-

P

V

V

A

G

L

V

D

E

L

T

M

M

R

R

S

Q

I

L

K

K

D

N

T

T

L

L

D

D

P

P

K

R

G

G

I

L

L

M

N
|
N

P

P

G

G

K

K

V

V

I

L

binding flavin-adenine dinucleotide: P68 (= P73), G70 (≠ S75), T71 (≠ G76), G72 (= G77), T73 (≠ S78), G74 (= G79), G78 (≠ N83), V79 (≠ A84), L90 (≠ T95), P132 (≠ S138), G133 (= G139), A134 (≠ D140), G140 (= G146), M141 (= M147), A143 (= A149), T144 (= T150), A146 (= A152), S147 (= S153), E200 (= E203), G201 (= G204), I206 (≠ V209), H369 (= H376), E413 (= E420), N450 (= N456)
binding deaminohydroxyvaline: R319 (= R324), H414 (= H421)

8jdrA Crystal structure of h405a mldhd in complex with d-2-hydroxy-3-methyl- valeric acid (see paper)
39% identity, 96% coverage: 14:461/467 of query aligns to 9:456/456 of 8jdrA

query
sites
8jdrA

L

L

E

K

D

A

A

V

V

V

E

G

D

S

G

P

R

H

V

V

A

S

Y

T

E

A

A

S

S

A

V

V

R

R

E

E

Q

Q

Y

H

A

G

E

H

D

D

A

E

S

S

P

M

H

H

A

R

G

C

R

Q

L

P

P

P

D

D

A

A

V

V

W

W

P

P

A

Q

S

N

T

V

E

D

E

Q

V

V

A

S

A

R

V

V

L

A

S

S

A

L

A

C

N

Y

D

N

R

Q

E

G

I

V

P

P

V

I

T

I

P
|
P

W

F

S
x
G

G
x
T

G
|
G

S
x
T

G
|
G

L

V

E

E

G

G

N
x
G

A
x
V

I

C

P

A

A

V

S

Q

G

G

I

V

V

C

L

I

T

N

T
x
L

A

T

D

H

L

M

D

D

Q

Q

I

I

S

T

-

E

V

L

S

N

P

T

D

E

D

D

L

F

H

S

A

V

T

V

V

V

G

E

A

P

G

G

V

V

V

T

Y

R

D

K

D

A

L

L

N

N

E

T

H

H

L

L

A

R

Q

D

H

S

G

G

L

L

R

W

F

F

A

P

P

-

G

-

I

V

S

D

S
x
P

G
|
G

D
x
A

I

D

A

A

T

S

L

L

G

C

G
|
G

M
|
M

V

A

A
|
A

T
|
T

N

G

A
|
A

S
|
S

G

G

F

T

N

N

A

A

V

V

R

R

Y

Y

G

G

E

T

T

M

R

R

N

D

H

N

V

V

R

I

R

N

L

L

E

E

V

V

T

L

A

P

D

D

G

G

R

R

I

L

V

L

E

H

C

T

-

A

-

G

-

R

G

G

R

R

D

H

V

Y

V

R

K

K

T

S

S

A

A

A

G

G

Y

Y

S

N

L

L

K

T

D

G

L

L

I

F

I

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

V

I

V
x
I

T

T

E

S

V

T

T

T

V

L

G

R

L

L

V

H

G

P

V

A

P

P

E

E

H

A

R

T

R

V

A

A

L

T

V

C

T

A

F

F

P

P

S

S

R

V

E

Q

D

A

A

A

S

V

R

D

A

S

V

T

S

V

D

Q

A

I

I

L

G

Q

S

A

A

A

L

V

V

P

P

V

G

A

A

R

I

I

E

E

F

F

M

L

D

D

R

D

M

V

S

M

I

M

R

D

M

A

L

C

N

N

A

-

Y

R

H

H

D

S

D

K

L

L

E

N

F

C

E

P

E

V

Q

A

P

P

T

T

L

L

L

F

I

L

E

E

L

F

H

H

A

G

N

S

N

Q

D

Q

G

T

I

L

E

A

E

E

D

Q

L

L

A

Q

F

R

A

T

K

E

L

A

I

I

C

T

E

Q

D

D

H

N

G

G

M

G

E

S

S

H

W

F

T

S

A

W

A

A

E

E

E

K

N

R

I

-

D

N

D

E

I

L

W

W

Q

A

A

A

R
|
R

R

H

D

N

K

A

Y
x
W

W
x
Y

A

A

T

A

T

L

S

A

Y

L

R

S

E

P

E

G

W

S

E

K

V

-

A

A

L

Y

V

S

G

T

D

D

V

V

V

C

V

V

P

P

I

I

S

S

N

R

Y

L

P

P

D

E

I

I

V

L

Q

V

E

E

V

T

S

K

D

E

A

E

G

I

E

K

D

A

L

S

D

K

L

L

T

T

V

G

S

A

C

I

V

V

G

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H

A

Y

C

T

I

P

L

L

L

V

V

D

D

P

P

D

D

E

A

E

E

M

E

V

Q

A

R

R

R

A

V

H

K

E

A

L

F

N

A

E

E

R

N

V

L

V

G

S

R

K

R

A

A

L

L

E

A

L

L

G

G

S

T

A

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

I

L

G

G

K

K

R

R

K

Q

F

L

M

L

A

Q

E

E

H

V

G

G

-

P

V

V

A

G

L

V

D

E

L

T

M

M

R

R

S

Q

I

L

K

K

D

N

T

T

L

L

D

D

P

P

K

R

G

G

I

L

L

M

N
|
N

P

P

G

G

K

K

V

V

I

L

binding flavin-adenine dinucleotide: P68 (= P73), G70 (≠ S75), T71 (≠ G76), G72 (= G77), T73 (≠ S78), G74 (= G79), G78 (≠ N83), V79 (≠ A84), L90 (≠ T95), P132 (≠ S138), G133 (= G139), A134 (≠ D140), G140 (= G146), M141 (= M147), A143 (= A149), T144 (= T150), A146 (= A152), S147 (= S153), E200 (= E203), G201 (= G204), I206 (≠ V209), Y324 (≠ W329), H370 (= H376), E414 (= E420), N451 (= N456)
binding (2R,3S)-3-methyl-2-oxidanyl-pentanoic acid: R319 (= R324), W323 (≠ Y328), H415 (= H421)

8jdqA Crystal structure of h405a mldhd in complex with d-2-hydroxyisocaproic acid (see paper)
39% identity, 96% coverage: 14:461/467 of query aligns to 9:456/456 of 8jdqA

query
sites
8jdqA

L

L

E

K

D

A

A

V

V

V

E

G

D

S

G

P

R

H

V

V

A

S

Y

T

E

A

A

S

S

A

V

V

R

R

E

E

Q

Q

Y

H

A

G

E

H

D

D

A

E

S

S

P

M

H

H

A

R

G

C

R

Q

L

P

P

P

D

D

A

A

V

V

W

W

P

P

A

Q

S

N

T

V

E

D

E

Q

V

V

A

S

A

R

V

V

L

A

S

S

A

L

A

C

N

Y

D

N

R

Q

E

G

I

V

P

P

V

I

T

I

P
|
P

W

F

S
x
G

G
x
T

G
|
G

S
x
T

G
|
G

L

V

E

E

G

G

N
x
G

A
x
V

I

C

P

A

A

V

S

Q

G

G

I

V

V

C

L

I

T

N

T
x
L

A

T

D

H

L

M

D

D

Q

Q

I

I

S

T

-

E

V

L

S

N

P

T

D

E

D

D

L

F

H

S

A

V

T

V

V

V

G

E

A

P

G

G

V

V

V

T

Y

R

D

K

D

A

L

L

N

N

E

T

H

H

L

L

A

R

Q

D

H

S

G

G

L

L

R

W

F

F

A

P

P

-

G

-

I

V

S

D

S
x
P

G
|
G

D
x
A

I

D

A

A

T

S

L

L

G

C

G
|
G

M
|
M

V

A

A
|
A

T
|
T

N

G

A
|
A

S
|
S

G

G

F

T

N

N

A

A

V

V

R

R

Y

Y

G

G

E

T

T

M

R

R

N

D

H

N

V

V

R

I

R

N

L

L

E

E

V

V

T

L

A

P

D

D

G

G

R

R

I

L

V

L

E

H

C

T

-

A

-

G

-

R

G

G

R

R

D

H

V

Y

V

R

K

K

T

S

S

A

A

A

G

G

Y

Y

S

N

L

L

K

T

D

G

L

L

I

F

I

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

V

I

V
x
I

T

T

E

S

V

T

T

T

V

L

G

R

L

L

V

H

G

P

V

A

P

P

E

E

H

A

R

T

R

V

A

A

L

T

V

C

T

A

F

F

P

P

S

S

R

V

E

Q

D

A

A

A

S

V

R

D

A

S

V

T

S

V

D

Q

A

I

I

L

G

Q

S

A

A

A

L

V

V

P

P

V

G

A

A

R

I

I

E

E

F

F

M

L

D

D

R

D

M

V

S

M

I

M

R

D

M

A

L

C

N

N

A

-

Y

R

H

H

D

S

D

K

L

L

E

N

F

C

E

P

E

V

Q

A

P

P

T

T

L

L

L

F

I

L

E

E

L

F

H

H

A

G

N

S

N

Q

D

Q

G

T

I

L

E

A

E

E

D

Q

L

L

A

Q

F

R

A

T

K

E

L

A

I

I

C

T

E

Q

D

D

H

N

G

G

M

G

E

S

S

H

W

F

T

S

A

W

A

A

E

E

E

K

N

R

I

-

D

N

D

E

I

L

W

W

Q

A

A

A

R
|
R

R

H

D

N

K

A

Y
x
W

W

Y

A

A

T

A

T

L

S

A

Y

L

R

S

E

P

E

G

W

S

E

K

V

-

A

A

L

Y

V

S

G

T

D

D

V

V

V

C

V

V

P

P

I

I

S

S

N

R

Y

L

P

P

D

E

I

I

V

L

Q

V

E

E

V

T

S

K

D

E

A

E

G

I

E

K

D

A

L

S

D

K

L

L

T

T

V

G

S

A

C

I

V

V

G

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H

A

Y

C

T

I

P

L

L

L

V

V

D

D

P

P

D

D

E

A

E

E

M

E

V

Q

A

R

R

R

A

V

H

K

E

A

L

F

N

A

E

E

R

N

V

L

V

G

S

R

K

R

A

A

L

L

E

A

L

L

G

G

S

T

A

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

I

L

G

G

K

K

R

R

K

Q

F

L

M

L

A

Q

E

E

H

V

G

G

-

P

V

V

A

G

L

V

D

E

L

T

M

M

R

R

S

Q

I

L

K

K

D

N

T

T

L

L

D

D

P

P

K

R

G

G

I

L

L

M

N
|
N

P

P

G

G

K

K

V

V

I

L

binding (2R)-2-hydroxy-4-methylpentanoic acid: R319 (= R324), W323 (≠ Y328), H370 (= H376), H415 (= H421)
binding flavin-adenine dinucleotide: P68 (= P73), G70 (≠ S75), T71 (≠ G76), G72 (= G77), T73 (≠ S78), G74 (= G79), G78 (≠ N83), V79 (≠ A84), L90 (≠ T95), P132 (≠ S138), G133 (= G139), A134 (≠ D140), G140 (= G146), M141 (= M147), A143 (= A149), T144 (= T150), A146 (= A152), S147 (= S153), E200 (= E203), G201 (= G204), I206 (≠ V209), H370 (= H376), E414 (= E420), N451 (= N456)

8jdoA Crystal structure of h405a mldhd in complex with d-2-hydroxyhexanoic acid (see paper)
39% identity, 96% coverage: 14:461/467 of query aligns to 9:456/456 of 8jdoA

query
sites
8jdoA

L

L

E

K

D

A

A

V

V

V

E

G

D

S

G

P

R

H

V

V

A

S

Y

T

E

A

A

S

S

A

V

V

R

R

E

E

Q

Q

Y

H

A

G

E

H

D

D

A

E

S

S

P

M

H

H

A

R

G

C

R

Q

L

P

P

P

D

D

A

A

V

V

W

W

P

P

A

Q

S

N

T

V

E

D

E

Q

V

V

A

S

A

R

V

V

L

A

S

S

A

L

A

C

N

Y

D

N

R

Q

E

G

I

V

P

P

V

I

T

I

P
|
P

W

F

S
x
G

G
x
T

G
|
G

S
x
T

G
|
G

L

V

E

E

G

G

N
x
G

A
x
V

I

C

P

A

A

V

S

Q

G

G

I

V

V

C

L

I

T

N

T
x
L

A

T

D

H

L

M

D

D

Q

Q

I

I

S

T

-

E

V

L

S

N

P

T

D

E

D

D

L

F

H

S

A

V

T

V

V

V

G

E

A

P

G

G

V

V

V

T

Y

R

D

K

D

A

L

L

N

N

E

T

H

H

L

L

A

R

Q

D

H

S

G

G

L

L

R

W

F

F

A

P

P

-

G

-

I

V

S

D

S
x
P

G
|
G

D
x
A

I

D

A

A

T

S

L

L

G

C

G
|
G

M
|
M

V

A

A
|
A

T
|
T

N

G

A
|
A

S
|
S

G

G

F

T

N

N

A

A

V

V

R

R

Y

Y

G

G

E

T

T

M

R

R

N

D

H

N

V

V

R

I

R

N

L

L

E

E

V

V

T

L

A

P

D

D

G

G

R

R

I

L

V

L

E

H

C

T

-

A

-

G

-

R

G

G

R

R

D

H

V

Y

V

R

K

K

T

S

S

A

A

A

G

G

Y

Y

S

N

L

L

K

T

D

G

L

L

I

F

I

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

V

I

V
x
I

T

T

E

S

V

T

T

T

V

L

G

R

L

L

V

H

G

P

V

A

P

P

E

E

H

A

R

T

R

V

A

A

L

T

V

C

T

A

F

F

P

P

S

S

R

V

E

Q

D

A

A

A

S

V

R

D

A

S

V

T

S

V

D

Q

A

I

I

L

G

Q

S

A

A

A

L

V

V

P

P

V

G

A

A

R

I

I

E

E

F

F

M

L

D

D

R

D

M

V

S

M

I

M

R

D

M

A

L

C

N

N

A

-

Y

R

H

H

D

S

D

K

L

L

E

N

F

C

E

P

E

V

Q

A

P

P

T

T

L

L

L

F

I

L

E

E

L

F

H

H

A

G

N

S

N

Q

D

Q

G

T

I

L

E

A

E

E

D

Q

L

L

A

Q

F

R

A

T

K

E

L

A

I

I

C

T

E

Q

D

D

H

N

G

G

M

G

E

S

S

H

W

F

T

S

A

W

A

A

E

E

E

K

N

R

I

-

D

N

D

E

I

L

W

W

Q

A

A

A

R
|
R

R

H

D

N

K

A

Y
x
W

W
x
Y

A

A

T

A

T

L

S

A

Y

L

R

S

E

P

E

G

W

S

E

K

V

-

A

A

L

Y

V

S

G

T

D

D

V

V

V

C

V

V

P

P

I

I

S

S

N

R

Y

L

P

P

D

E

I

I

V

L

Q

V

E

E

V

T

S

K

D

E

A

E

G

I

E

K

D

A

L

S

D

K

L

L

T

T

V

G

S

A

C

I

V

V

G

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H

A

Y

C

T

I

P

L

L

L

V

V

D

D

P

P

D

D

E

A

E

E

M

E

V

Q

A

R

R

R

A

V

H

K

E

A

L

F

N

A

E

E

R

N

V

L

V

G

S

R

K

R

A

A

L

L

E

A

L

L

G

G

S

T

A

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

I

L

G

G

K

K

R

R

K

Q

F

L

M

L

A

Q

E

E

H

V

G

G

-

P

V

V

A

G

L

V

D

E

L

T

M

M

R

R

S

Q

I

L

K

K

D

N

T

T

L

L

D

D

P

P

K

R

G

G

I

L

L

M

N
|
N

P

P

G

G

K

K

V

V

I

L

binding (2R)-2-hydroxyhexanoic acid: R319 (= R324), W323 (≠ Y328), H415 (= H421)
binding flavin-adenine dinucleotide: P68 (= P73), G70 (≠ S75), T71 (≠ G76), G72 (= G77), T73 (≠ S78), G74 (= G79), G78 (≠ N83), V79 (≠ A84), L90 (≠ T95), P132 (≠ S138), G133 (= G139), A134 (≠ D140), G140 (= G146), M141 (= M147), A143 (= A149), T144 (= T150), A146 (= A152), S147 (= S153), E200 (= E203), G201 (= G204), I206 (≠ V209), Y324 (≠ W329), H370 (= H376), E414 (= E420), N451 (= N456)

8jdnA Crystal structure of h405a mldhd in complex with d-2-hydroxyvaleric acid (see paper)
39% identity, 96% coverage: 14:461/467 of query aligns to 9:456/456 of 8jdnA

query
sites
8jdnA

L

L

E

K

D

A

A

V

V

V

E

G

D

S

G

P

R

H

V

V

A

S

Y

T

E

A

A

S

S

A

V

V

R

R

E

E

Q

Q

Y

H

A

G

E

H

D

D

A

E

S

S

P

M

H

H

A

R

G

C

R

Q

L

P

P

P

D

D

A

A

V

V

W

W

P

P

A

Q

S

N

T

V

E

D

E

Q

V

V

A

S

A

R

V

V

L

A

S

S

A

L

A

C

N

Y

D

N

R

Q

E

G

I

V

P

P

V

I

T

I

P
|
P

W

F

S
x
G

G
x
T

G
|
G

S
x
T

G
|
G

L

V

E

E

G

G

N
x
G

A
x
V

I

C

P

A

A

V

S

Q

G

G

I

V

V

C

L

I

T

N

T
x
L

A

T

D

H

L

M

D

D

Q

Q

I

I

S

T

-

E

V

L

S

N

P

T

D

E

D

D

L

F

H

S

A

V

T

V

V

V

G

E

A

P

G

G

V

V

V

T

Y

R

D

K

D

A

L

L

N

N

E

T

H

H

L

L

A

R

Q

D

H

S

G

G