SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_054255111.1 NCBI__GCF_001298675.1:WP_054255111.1 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)

8jdtA Crystal structure of mldhd in complex with 2-ketobutanoic acid (see paper)
50% identity, 95% coverage: 18:467/472 of query aligns to 5:455/455 of 8jdtA

query
sites
8jdtA

F

F

L

V

A

E

A

A

L

L

S

K

A

A

R

V

F

V

G

G

A

S

-

P

Q

H

C

V

S

S

M

T

A

A

A

S

A

A

V

V

C

R

A

E

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Q

H

H

G

G

R

H

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D

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E

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M

L

H

Q

R

A

C

P

Q

P

P

A

D

A

A

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V

F

W

A

P

E

Q

S

N

T

V

Q

D

D

Q

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V

Q

S

D

R

A

V

V

A

R

S

L

L

A

C

A

Y

Q

N

Y

Q

G

G

V

V

P

P

V

I

I

I

P
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P

Y

F

G
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G

A
x
T

G
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G

S
x
T

S
x
G

L

V

E

E

G

G

H
x
G

L
x
V

L

C

A

A

V

V

Q

Q

G

G

I

V

S

C

I

I

D

N

L
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L

G

T

R

H

M

M

N

D

R

Q

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I

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E

V

L

N

N

A

T

D

E

D

D

L

F

T

S

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V

T

V

V

V

Q

E

P

P

G

G

I

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T

T

R

R

K

K

A

A

L

L

N

N

D

T

A

H

I

L

K

R

D

D

T

S

G

G

L

L

F

W

F

F

P

P

I

V

D

D

P
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P

G
|
G

A
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A

D

D

A

A

S

S

I

L

G

C

G
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G

M
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M

A

A

A
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A

T
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T

R

G

A
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A

S
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S

G

G

T

T

N

N

A

A

V

V

R

R

Y

Y

G

G

T

T

M

M

R

R

E

D

N

N

V

V

L

I

A

N

L

L

E

E

V

V

T

L

A

P

S

D

G

G

D

R

V

L

I

L

R

H

T

T

G

A

T

G

R

R

A

G

-

R

-

H

-

Y

K

R

K

K

S

S

S

A

A

A

G

G

Y

Y

D

N

L

L

T

T

R

G

L

L

M

F

V

V

G

G

S

S

E
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E

G
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G

T

T

L

L

G

G

L

I

F
x
I

T

T

E

S

V

T

T

T

V

L

R

R

L

L

Y

H

P

P

L

A

P

P

E

E

A

A

V

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S

V

A

A

I

T

C

C

S

A

F

F

P

P

S

S

I

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E

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A

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D

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T

I

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P

I

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A

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I

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E

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I

L

D

D

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D

N

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M

A

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N

A

R

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H

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S

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K

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L

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N

L

C

R

P

E

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E

A

P

P

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T

L

L

L

F

M

L

E

E

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F

H

H

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P

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L

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A

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E

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Q

A

L

E

Q

V

R

V

T

Q

E

D

A

I

I

A

T

R

Q

E

D

W

N

G

G

N

S

A

H

F

F

E

S

W

W

A

A

T

-

P

-

E

E

E

K

R

R

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N

R

E

L

L

W

W

T

A

A

A

R
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R

H

H

N

N

A

A

Y
x
W

F

Y

A

A

V

L

Q

A

S

L

R

S

P

P

G

G

C

S

K

K

A

A

I

Y

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S

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D

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V

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P

I

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C

I

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E

E

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A

L

I

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H
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H

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G

D

D

G

G

N

N

F

F

H
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H

F

C

G

I

Y

L

L

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I

V

D

D

P

P

D

D

S

D

P

A

D

E

E

E

R

Q

T

R

R

R

A

V

E

K

Q

A

L

F

N

A

H

E

Q

N

L

L

V

G

A

R

R

R

A

A

L

L

R

A

M

L

Q

G

G

G

T

T

C

C

T

T

G

G

E
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E

H
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H

G

G

V

I

G

G

I

L

H

G

K

K

M

R

D

Q

F

L

L

L

Q

Q

E

E

A

V

G

G

E

P

G

V

A

G

V

V

A

E

M

T

M

M

R

R

A

Q

I

L

K

K

Q

N

A

T

L

L

D

D

P

P

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P

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G

G

K

K

I

V

F

L

binding 2-ketobutyric acid: R318 (= R330), H369 (= H381), H376 (= H388), H414 (= H426)
binding flavin-adenine dinucleotide: P68 (= P80), G70 (= G82), T71 (≠ A83), G72 (= G84), T73 (≠ S85), G74 (≠ S86), G78 (≠ H90), V79 (≠ L91), L90 (= L102), P132 (= P144), G133 (= G145), A134 (= A146), G140 (= G152), M141 (= M153), A143 (= A155), T144 (= T156), A146 (= A158), S147 (= S159), E200 (= E209), G201 (= G210), I206 (≠ F215), W322 (≠ Y334), E413 (= E425), H414 (= H426), N450 (= N462)
binding manganese (ii) ion: H369 (= H381), H376 (= H388), E413 (= E425)

8jdsA Crystal structure of mldhd in complex with pyruvate (see paper)
50% identity, 95% coverage: 18:467/472 of query aligns to 5:456/456 of 8jdsA

query
sites
8jdsA

F

F

L

V

A

E

A

A

L

L

S

K

A

A

R

V

F

V

G

G

A

S

-

P

Q

H

C

V

S

S

M

T

A

A

A

S

A

A

V

V

C

R

A

E

Q

Q

H

H

G

G

R

H

D

D

E
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E

G

S

S

M

L

H

Q

R

A

C

P

Q

P

P

A

D

A

A

V

V

F

W

A

P

E

Q

S

N

T

V

Q

D

D

Q

V

V

Q

S

D

R

A

V

V

A

R

S

L

L

A

C

A

Y

Q

N

Y

Q

G

G

V

V

P

P

V

I

I

I

P
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P

Y

F

G
|
G

A
x
T

G
|
G

S
x
T

S
x
G

L

V

E

E

G

G

H
x
G

L
x
V

L

C

A

A

V

V

Q

Q

G

G

I

V

S

C

I

I

D

N

L
|
L

G

T

R

H

M

M

N

D

R

Q

V

I

L

T

S

E

V

L

N

N

A

T

D

E

D

D

L

F

T

S

V

V

T

V

V

V

Q

E

P

P

G

G

I

V

T

T

R

R

K

K

A

A

L

L

N

N

D

T

A

H

I

L

K

R

D

D

T

S

G

G

L

L

F

W

F

F

P

P

I

V

D

D

P
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P

G
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G

A
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A

D

D

A

A

S

S

I

L

G

C

G
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G

M
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M

A

A

A
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A

T
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T

R

G

A
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A

S
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S

G

G

T

T

N

N

A

A

V

V

R

R

Y

Y

G

G

T

T

M

M

R

R

E

D

N

N

V

V

L

I

A

N

L

L

E

E

V

V

T

L

A

P

S

D

G

G

D

R

V

L

I

L

R

H

T

T

G

A

T

G

R

R

A

G

-

R

-

H

-

Y

K

R

K

K

S

S

S

A

A

A

G

G

Y

Y

D

N

L

L

T

T

R

G

L

L

M

F

V

V

G

G

S

S

E
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E

G
|
G

T

T

L

L

G

G

L

I

F
x
I

T

T

E

S

V

T

T

T

V

L

R

R

L

L

Y

H

P

P

L

A

P

P

E

E

A

A

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A

A

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C

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F

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P

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A

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D

D

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R

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T

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D

A

I

I

A

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R

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W

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G

G

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A

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F

F

E

S

W

W

A

A

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A

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-

P

-

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N

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L

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T

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R

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x
W

F

Y

A

A

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P

G

G

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S

K

K

A

A

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Y

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D

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C

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P

I

I

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S

R

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L

L

A

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C

I

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L

L

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D

E

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K

A

E

E

E

A

I

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K

A

A

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S

G

K

I

L

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T

Y

G

F

A

L

I

V

V

G

G

H
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H

V

V

G

G

D

D

G

G

N

N

F

F

H
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H

F

C

G

I

Y

L

L

L

I

V

D

D

P

P

D

D

S

D

P

A

D

E

E

E

R

Q

T

R

R

R

A

V

E

K

Q

A

L

F

N

A

H

E

Q

N

L

L

V

G

A

R

R

R

A

A

L

L

R

A

M

L

Q

G

G

G

T

T

C

C

T

T

G

G

E
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E

H
|
H

G

G

V

I

G

G

I

L

H

G

K

K

M

R

D

Q

F

L

L

L

Q

Q

E

E

A

V

G

G

E

P

G

V

A

G

V

V

A

E

M

T

M

M

R

R

A

Q

I

L

K

K

Q

N

A

T

L

L

D

D

P

P

Q

R

N

G

I

L

L

M

N
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N

P

P

G

G

K

K

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L

binding flavin-adenine dinucleotide: E32 (= E44), P68 (= P80), G70 (= G82), T71 (≠ A83), G72 (= G84), T73 (≠ S85), G74 (≠ S86), G78 (≠ H90), V79 (≠ L91), L90 (= L102), P132 (= P144), G133 (= G145), A134 (= A146), G140 (= G152), M141 (= M153), A143 (= A155), T144 (= T156), A146 (= A158), S147 (= S159), E200 (= E209), G201 (= G210), I206 (≠ F215), W323 (≠ Y334), E414 (= E425), H415 (= H426), N451 (= N462)
binding manganese (ii) ion: H370 (= H381), H377 (= H388), E414 (= E425)
binding pyruvic acid: R319 (= R330), H370 (= H381), H377 (= H388), H415 (= H426)

8jdeA Crystal structure of mldhd in complex with d-lactate (see paper)
49% identity, 95% coverage: 18:467/472 of query aligns to 5:455/455 of 8jdeA

query
sites
8jdeA

F

F

L

V

A

E

A

A

L

L

S

K

A

A

R

V

F

V

G

G

A

S

-

P

Q

H

C

V

S

S

M

T

A

A

A

S

A

A

V

V

C

R

A

E

Q

Q

H

H

G

G

R

H

D

D

E

E

G

S

S

M

L

H

Q

R

A

C

P

Q

P

P

A

D

A

A

V

V

F

W

A

P

E

Q

S

N

T

V

Q

D

D

Q

V

V

Q

S

D

R

A

V

V

A

R

S

L

L

A

C

A

Y

Q

N

Y

Q

G

G

V

V

P

P

V

I

I

I

P
|
P

Y

F

G
|
G

A
x
T

G
|
G

S
x
T

S
x
G

L

V

E

E

G

G

H
x
G

L
x
V

L

C

A

A

V

V

Q

Q

G

G

I

V

S

C

I

I

D

N

L
|
L

G

T

R

H

M

M

N

D

R

Q

V

I

L

T

S

E

V

L

N

N

A

T

D

E

D

D

L

F

T

S

V

V

T

V

V

V

Q

E

P

P

G

G

I

V

T

T

R

R

K

K

A

A

L

L

N

N

D

T

A

H

I

L

K

R

D

D

T

S

G

G

L

L

F

W

F

F

P

P

I

V

D

D

P
|
P

G
|
G

A
|
A

D

D

A

A

S

S

I

L

G

C

G
|
G

M
|
M

A

A

A
|
A

T
|
T

R

G

A
|
A

S
|
S

G

G

T

T

N

N

A

A

V

V

R

R

Y

Y

G

G

T

T

M

M

R

R

E

D

N

N

V

V

L

I

A

N

L

L

E

E

V

V

T

L

A

P

S

D

G

G

D

R

V

L

I

L

R

H

T

T

G

A

T

G

R

R

A

G

-

R

-

H

-

Y

K

R

K

K

S

S

S

A

A

A

G

G

Y

Y

D

N

L

L

T

T

R

G

L

L

M

F

V

V

G

G

S

S

E
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E

G
|
G

T

T

L

L

G

G

L

I

F
x
I

T

T

E

S

V

T

T

T

V

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R

R

L

L

Y

H

P

P

L

A

P

P

E

E

A

A

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S

V

A

A

I

T

C

C

S

A

F

F

P

P

S

S

I

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E

Q

A

A

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V

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Q

T

I

I

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Q

L

A

G

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V

P

P

I

V

A

A

R

R

V

I

E

E

L

F

I

L

D

D

V

D

N

V

A

M

V

M

R

D

M

A

V

C

N

N

A

R

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S

K

K

L

L

H

N

L

C

R

P

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V

E

A

P

P

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T

L

L

L

F

M

L

E

E

F

F

H

H

G

G

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P

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T

Q

G

T

V

L

Q

A

E

E

Q

Q

A

L

E

Q

V

R

V

T

Q

E

D

A

I

I

A

T

R

Q

E

D

W

N

G

G

N

S

A

H

F

F

E

S

W

W

A

A

T

A

T

-

P

-

E

-

E

E

R

K

T

N

R

E

L

L

W

W

T

A

A

A

R
|
R

H

H

N

N

A

A

Y
x
W

F

Y

A

A

V

L

Q

A

S

L

R

S

P

P

G

G

C

S

K

K

A

A

I

Y

S

S

T

T

D

D

T

V

C

C

V

V

P

P

I

I

S

S

R

R

L

L

A

P

D

E

C

I

L

L

L

V

D

E

S

T

V

K

A

E

E

E

A

I

D

K

A

A

S

S

G

K

I

L

P

T

Y

G

F

A

L

I

V

V

G

G

H
|
H

V

V

G

G

D

D

G

G

N

N

F

F

H
|
H

F

C

G

I

Y

L

L

L

I

V

D

D

P

P

D

D

S

D

P

A

D

E

E

E

R

Q

T

R

R

R

A

V

E

K

Q

A

L

F

N

A

H

E

Q

N

L

L

V

G

A

R

R

R

A

A

L

L

R

A

M

L

Q

G

G

G

T

T

C

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

I

L

H

G

K

K

M

R

D

Q

F

L

L

L

Q

Q

E

E

A

V

G

G

E

P

G

V

A

G

V

V

A

E

M

T

M

M

R

R

A

Q

I

L

K

K

Q

N

A

T

L

L

D

D

P

P

Q

R

N

G

I

L

L

M

N
|
N

P

P

G

G

K

K

I

V

F

L

binding flavin-adenine dinucleotide: P68 (= P80), G70 (= G82), T71 (≠ A83), G72 (= G84), T73 (≠ S85), G74 (≠ S86), G78 (≠ H90), V79 (≠ L91), L90 (= L102), P132 (= P144), G133 (= G145), A134 (= A146), G140 (= G152), M141 (= M153), A143 (= A155), T144 (= T156), A146 (= A158), S147 (= S159), E200 (= E209), G201 (= G210), I206 (≠ F215), W322 (≠ Y334), E413 (= E425), H414 (= H426), N450 (= N462)
binding lactic acid: R318 (= R330), H369 (= H381), H376 (= H388), H414 (= H426)
binding manganese (ii) ion: H369 (= H381), H376 (= H388), E413 (= E425)

8jduA Crystal structure of mldhd in complex with 2-ketovaleric acid (see paper)
50% identity, 95% coverage: 18:467/472 of query aligns to 5:455/455 of 8jduA

query
sites
8jduA

F

F

L

V

A

E

A

A

L

L

S

K

A

A

R

V

F

V

G

G

A

S

-

P

Q

H

C

V

S

S

M

T

A

A

A

S

A

A

V

V

C

R

A

E

Q

Q

H

H

G

G

R

H

D

D

E

E

G

S

S

M

L

H

Q

R

A

C

P

Q

P

P

A

D

A

A

V

V

F

W

A

P

E

Q

S

N

T

V

Q

D

D

Q

V

V

Q

S

D

R

A

V

V

A

R

S

L

L

A

C

A

Y

Q

N

Y

Q

G

G

V

V

P

P

V

I

I

I

P
|
P

Y

F

G
|
G

A
x
T

G
|
G

S
x
T

S
x
G

L

V

E

E

G

G

H
x
G

L
x
V

L

C

A

A

V

V

Q

Q

G

G

I

V

S

C

I

I

D

N

L
|
L

G

T

R

H

M

M

N

D

R

Q

V

I

L

T

S

E

V

L

N

N

A

T

D

E

D

D

L

F

T

S

V

V

T

V

V

V

Q

E

P

P

G

G

I

V

T

T

R

R

K

K

A

A

L

L

N

N

D

T

A

H

I

L

K

R

D

D

T

S

G

G

L

L

F

W

F

F

P

P

I

V

D

D

P
|
P

G
|
G

A
|
A

D

D

A

A

S

S

I

L

G

C

G
|
G

M
|
M

A

A

A
|
A

T
|
T

R

G

A
|
A

S
|
S

G

G

T

T

N

N

A

A

V

V

R

R

Y

Y

G

G

T

T

M

M

R

R

E

D

N

N

V

V

L

I

A

N

L

L

E

E

V

V

T

L

A

P

S

D

G

G

D

R

V

L

I

L

R

H

T

T

G

A

T

G

R

R

A

G

-

R

-

H

-

Y

K

R

K

K

S

S

S

A

A

A

G

G

Y

Y

D

N

L

L

T

T

R

G

L

L

M

F

V

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

L

I

F
x
I

T

T

E

S

V

T

T

T

V

L

R

R

L

L

Y

H

P

P

L

A

P

P

E

E

A

A

V

T

S

V

A

A

I

T

C

C

S

A

F

F

P

P

S

S

I

V

E

Q

A

A

V

V

R

D

T

S

V

T

I

V

Q

Q

T

I

I

L

Q

Q

L

A

G

A

V

V

P

P

I

V

A

A

R

R

V

I

E

E

L

F

I

L

D

D

V

D

N

V

A

M

V

M

R

D

M

A

V

C

N

N

A

R

H

H

S

S

K

K

L

L

H

N

L

C

R

P

E

V

E

A

P

P

L

T

L

L

L

F

M

L

E

E

F

F

H

H

G

G

S

S

P

Q

T

Q

G

T

V

L

Q

A

E

E

Q

Q

A

L

E

Q

V

R

V

T

Q

E

D

A

I

I

A

T

R

Q

E

N

W

-

G

G

N

S

A

H

F

F

E

S

W

W

A

A

T

A

T

-

P

-

E

E

E

K

R

R

T

N

R

E

L

L

W

W

T

A

A

A

R
|
R

H

H

N

N

A

A

Y
x
W

F

Y

A

A

V

L

Q

A

S

L

R

S

P

P

G

G

C

S

K

K

A

A

I

Y

S

S

T

T

D

D

T

V

C

C

V

V

P

P

I

I

S

S

R

R

L

L

A

P

D

E

C

I

L

L

L

V

D

E

S

T

V

K

A

E

E

E

A

I

D

K

A

A

S

S

G

K

I

L

P

T

Y

G

F

A

L

I

V

V

G

G

H
|
H

V

V

G

G

D

D

G

G

N

N

F

F

H
|
H

F

C

G

I

Y

L

L

L

I

V

D

D

P

P

D

D

S

D

P

A

D

E

E

E

R

Q

T

R

R

R

A

V

E

K

Q

A

L

F

N

A

H

E

Q

N

L

L

V

G

A

R

R

R

A

A

L

L

R

A

M

L

Q

G

G

G

T

T

C

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

I

L

H

G

K

K

M

R

D

Q

F

L

L

L

Q

Q

E

E

A

V

G

G

E

P

G

V

A

G

V

V

A

E

M

T

M

M

R

R

A

Q

I

L

K

K

Q

N

A

T

L

L

D

D

P

P

Q

R

N

G

I

L

L

M

N
|
N

P

P

G

G

K

K

I

V

F

L

binding 2-oxopentanoic acid: R318 (= R330), W322 (≠ Y334), H369 (= H381), H376 (= H388), H414 (= H426)
binding flavin-adenine dinucleotide: P68 (= P80), G70 (= G82), T71 (≠ A83), G72 (= G84), T73 (≠ S85), G74 (≠ S86), G78 (≠ H90), V79 (≠ L91), L90 (= L102), P132 (= P144), G133 (= G145), A134 (= A146), G140 (= G152), M141 (= M153), A143 (= A155), T144 (= T156), A146 (= A158), S147 (= S159), E200 (= E209), G201 (= G210), I206 (≠ F215), W322 (≠ Y334), E413 (= E425), N450 (= N462)
binding manganese (ii) ion: H369 (= H381), H376 (= H388), E413 (= E425)

8jdrA Crystal structure of h405a mldhd in complex with d-2-hydroxy-3-methyl- valeric acid (see paper)
49% identity, 95% coverage: 18:467/472 of query aligns to 5:456/456 of 8jdrA

query
sites
8jdrA

F

F

L

V

A

E

A

A

L

L

S

K

A

A

R

V

F

V

G

G

A

S

-

P

Q

H

C

V

S

S

M

T

A

A

A

S

A

A

V

V

C

R

A

E

Q

Q

H

H

G

G

R

H

D

D

E

E

G

S

S

M

L

H

Q

R

A

C

P

Q

P

P

A

D

A

A

V

V

F

W

A

P

E

Q

S

N

T

V

Q

D

D

Q

V

V

Q

S

D

R

A

V

V

A

R

S

L

L

A

C

A

Y

Q

N

Y

Q

G

G

V

V

P

P

V

I

I

I

P
|
P

Y

F

G
|
G

A
x
T

G
|
G

S
x
T

S
x
G

L

V

E

E

G

G

H
x
G

L
x
V

L

C

A

A

V

V

Q

Q

G

G

I

V

S

C

I

I

D

N

L
|
L

G

T

R

H

M

M

N

D

R

Q

V

I

L

T

S

E

V

L

N

N

A

T

D

E

D

D

L

F

T

S

V

V

T

V

V

V

Q

E

P

P

G

G

I

V

T

T

R

R

K

K

A

A

L

L

N

N

D

T

A

H

I

L

K

R

D

D

T

S

G

G

L

L

F

W

F

F

P

P

I

V

D

D

P
|
P

G
|
G

A
|
A

D

D

A

A

S

S

I

L

G

C

G
|
G

M
|
M

A

A

A
|
A

T
|
T

R

G

A
|
A

S
|
S

G

G

T

T

N

N

A

A

V

V

R

R

Y

Y

G

G

T

T

M

M

R

R

E

D

N

N

V

V

L

I

A

N

L

L

E

E

V

V

T

L

A

P

S

D

G

G

D

R

V

L

I

L

R

H

T

T

G

A

T

G

R

R

A

G

-

R

-

H

-

Y

K

R

K

K

S

S

S

A

A

A

G

G

Y

Y

D

N

L

L

T

T

R

G

L

L

M

F

V

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

L

I

F
x
I

T

T

E

S

V

T

T

T

V

L

R

R

L

L

Y

H

P

P

L

A

P

P

E

E

A

A

V

T

S

V

A

A

I

T

C

C

S

A

F

F

P

P

S

S

I

V

E

Q

A

A

V

V

R

D

T

S

V

T

I

V

Q

Q

T

I

I

L

Q

Q

L

A

G

A

V

V

P

P

I

V

A

A

R

R

V

I

E

E

L

F

I

L

D

D

V

D

N

V

A

M

V

M

R

D

M

A

V

C

N

N

A

R

H

H

S

S

K

K

L

L

H

N

L

C

R

P

E

V

E

A

P

P

L

T

L

L

L

F

M

L

E

E

F

F

H

H

G

G

S

S

P

Q

T

Q

G

T

V

L

Q

A

E

E

Q

Q

A

L

E

Q

V

R

V

T

Q

E

D

A

I

I

A

T

R

Q

E

D

W

N

G

G

N

S

A

H

F

F

E

S

W

W

A

A

T

A

T

-

P

-

E

E

E

K

R

R

T

N

R

E

L

L

W

W

T

A

A

A

R
|
R

H

H

N

N

A

A

Y
x
W

F
x
Y

A

A

V

L

Q

A

S

L

R

S

P

P

G

G

C

S

K

K

A

A

I

Y

S

S

T

T

D

D

T

V

C

C

V

V

P

P

I

I

S

S

R

R

L

L

A

P

D

E

C

I

L

L

L

V

D

E

S

T

V

K

A

E

E

E

A

I

D

K

A

A

S

S

G

K

I

L

P

T

Y

G

F

A

L

I

V

V

G

G

H
|
H

V

V

G

G

D

D

G

G

N

N

F

F

H

A

F

C

G

I

Y

L

L

L

I

V

D

D

P

P

D

D

S

D

P

A

D

E

E

E

R

Q

T

R

R

R

A

V

E

K

Q

A

L

F

N

A

H

E

Q

N

L

L

V

G

A

R

R

R

A

A

L

L

R

A

M

L

Q

G

G

G

T

T

C

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

I

L

H

G

K

K

M

R

D

Q

F

L

L

L

Q

Q

E

E

A

V

G

G

E

P

G

V

A

G

V

V

A

E

M

T

M

M

R

R

A

Q

I

L

K

K

Q

N

A

T

L

L

D

D

P

P

Q

R

N

G

I

L

L

M

N
|
N

P

P

G

G

K

K

I

V

F

L

binding flavin-adenine dinucleotide: P68 (= P80), G70 (= G82), T71 (≠ A83), G72 (= G84), T73 (≠ S85), G74 (≠ S86), G78 (≠ H90), V79 (≠ L91), L90 (= L102), P132 (= P144), G133 (= G145), A134 (= A146), G140 (= G152), M141 (= M153), A143 (= A155), T144 (= T156), A146 (= A158), S147 (= S159), E200 (= E209), G201 (= G210), I206 (≠ F215), Y324 (≠ F335), H370 (= H381), E414 (= E425), N451 (= N462)
binding (2R,3S)-3-methyl-2-oxidanyl-pentanoic acid: R319 (= R330), W323 (≠ Y334), H415 (= H426)

8jdqA Crystal structure of h405a mldhd in complex with d-2-hydroxyisocaproic acid (see paper)
49% identity, 95% coverage: 18:467/472 of query aligns to 5:456/456 of 8jdqA

query
sites
8jdqA

F

F

L

V

A

E

A

A

L

L

S

K

A

A

R

V

F

V

G

G

A

S

-

P

Q

H

C

V

S

S

M

T

A

A

A

S

A

A

V

V

C

R

A

E

Q

Q

H

H

G

G

R

H

D

D

E

E

G

S

S

M

L

H

Q

R

A

C

P

Q

P

P

A

D

A

A

V

V

F

W

A

P

E

Q

S

N

T

V

Q

D

D

Q

V

V

Q

S

D

R

A

V

V

A

R

S

L

L

A

C

A

Y

Q

N

Y

Q

G

G

V

V

P

P

V

I

I

I

P
|
P

Y

F

G
|
G

A
x
T

G
|
G

S
x
T

S
x
G

L

V

E

E

G

G

H
x
G

L
x
V

L

C

A

A

V

V

Q

Q

G

G

I

V

S

C

I

I

D

N

L
|
L

G

T

R

H

M

M

N

D

R

Q

V

I

L

T

S

E

V

L

N

N

A

T

D

E

D

D

L

F

T

S

V

V

T

V

V

V

Q

E

P

P

G

G

I

V

T

T

R

R

K

K

A

A

L

L

N

N

D

T

A

H

I

L

K

R

D

D

T

S

G

G

L

L

F

W

F

F

P

P

I

V

D

D

P
|
P

G
|
G

A
|
A

D

D

A

A

S

S

I

L

G

C

G
|
G

M
|
M

A

A

A
|
A

T
|
T

R

G

A
|
A

S
|
S

G

G

T

T

N

N

A

A

V

V

R

R

Y

Y

G

G

T

T

M

M

R

R

E

D

N

N

V

V

L

I

A

N

L

L

E

E

V

V

T

L

A

P

S

D

G

G

D

R

V

L

I

L

R

H

T

T

G

A

T

G

R

R

A

G

-

R

-

H

-

Y

K

R

K

K

S

S

S

A

A

A

G

G

Y

Y

D

N

L

L

T

T

R

G

L

L

M

F

V

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

L

I

F
x
I

T

T

E

S

V

T

T

T

V

L

R

R

L

L

Y

H

P

P

L

A

P

P

E

E

A

A

V

T

S

V

A

A

I

T

C

C

S

A

F

F

P

P

S

S

I

V

E

Q

A

A

V

V

R

D

T

S

V

T

I

V

Q

Q

T

I

I

L

Q

Q

L

A

G

A

V

V

P

P

I

V

A

A

R

R

V

I

E

E

L

F

I

L

D

D

V

D

N

V

A

M

V

M

R

D

M

A

V

C

N

N

A

R

H

H

S

S

K

K

L

L

H

N

L

C

R

P

E

V

E

A

P

P

L

T

L

L

L

F

M

L

E

E

F

F

H

H

G

G

S

S

P

Q

T

Q

G

T

V

L

Q

A

E

E

Q

Q

A

L

E

Q

V

R

V

T

Q

E

D

A

I

I

A

T

R

Q

E

D

W

N

G

G

N

S

A

H

F

F

E

S

W

W

A

A

T

A

T

-

P

-

E

E

E

K

R

R

T

N

R

E

L

L

W

W

T

A

A

A

R
|
R

H

H

N

N

A

A

Y
x
W

F

Y

A

A

V

L

Q

A

S

L

R

S

P

P

G

G

C

S

K

K

A

A

I

Y

S

S

T

T

D

D

T

V

C

C

V

V

P

P

I

I

S

S

R

R

L

L

A

P

D

E

C

I

L

L

L

V

D

E

S

T

V

K

A

E

E

E

A

I

D

K

A

A

S

S

G

K

I

L

P

T

Y

G

F

A

L

I

V

V

G

G

H
|
H

V

V

G

G

D

D

G

G

N

N

F

F

H

A

F

C

G

I

Y

L

L

L

I

V

D

D

P

P

D

D

S

D

P

A

D

E

E

E

R

Q

T

R

R

R

A

V

E

K

Q

A

L

F

N

A

H

E

Q

N

L

L

V

G

A

R

R

R

A

A

L

L

R

A

M

L

Q

G

G

G

T

T

C

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

I

L

H

G

K

K

M

R

D

Q

F

L

L

L

Q

Q

E

E

A

V

G

G

E

P

G

V

A

G

V

V

A

E

M

T

M

M

R

R

A

Q

I

L

K

K

Q

N

A

T

L

L

D

D

P

P

Q

R

N

G

I

L

L

M

N
|
N

P

P

G

G

K

K

I

V

F

L

binding (2R)-2-hydroxy-4-methylpentanoic acid: R319 (= R330), W323 (≠ Y334), H370 (= H381), H415 (= H426)
binding flavin-adenine dinucleotide: P68 (= P80), G70 (= G82), T71 (≠ A83), G72 (= G84), T73 (≠ S85), G74 (≠ S86), G78 (≠ H90), V79 (≠ L91), L90 (= L102), P132 (= P144), G133 (= G145), A134 (= A146), G140 (= G152), M141 (= M153), A143 (= A155), T144 (= T156), A146 (= A158), S147 (= S159), E200 (= E209), G201 (= G210), I206 (≠ F215), H370 (= H381), E414 (= E425), N451 (= N462)

8jdoA Crystal structure of h405a mldhd in complex with d-2-hydroxyhexanoic acid (see paper)
49% identity, 95% coverage: 18:467/472 of query aligns to 5:456/456 of 8jdoA

query
sites
8jdoA

F

F

L

V

A

E

A

A

L

L

S

K

A

A

R

V

F

V

G

G

A

S

-

P

Q

H

C

V

S

S

M

T

A

A

A

S

A

A

V

V

C

R

A

E

Q

Q

H

H

G

G

R

H

D

D

E

E

G

S

S

M

L

H

Q

R

A

C

P

Q

P

P

A

D

A

A

V

V

F

W

A

P

E

Q

S

N

T

V

Q

D

D

Q

V

V

Q

S

D

R

A

V

V

A

R

S

L

L

A

C

A

Y

Q

N

Y

Q

G

G

V

V

P

P

V

I

I

I

P
|
P

Y

F

G
|
G

A
x
T

G
|
G

S
x
T

S
x
G

L

V

E

E

G

G

H
x
G

L
x
V

L

C

A

A

V

V

Q

Q

G

G

I

V

S

C

I

I

D

N

L
|
L

G

T

R

H

M

M

N

D

R

Q

V

I

L

T

S

E

V

L

N

N

A

T

D

E

D

D

L

F

T

S

V

V

T

V

V

V

Q

E

P

P

G

G

I

V

T

T

R

R

K

K

A

A

L

L

N

N

D

T

A

H

I

L

K

R

D

D

T

S

G

G

L

L

F

W

F

F

P

P

I

V

D

D

P
|
P

G
|
G

A
|
A

D

D

A

A

S

S

I

L

G

C

G
|
G

M
|
M

A

A

A
|
A

T
|
T

R

G

A
|
A

S
|
S

G

G

T

T

N

N

A

A

V

V

R

R

Y

Y

G

G

T

T

M

M

R

R

E

D

N

N

V

V

L

I

A

N

L

L

E

E

V

V

T

L

A

P

S

D

G

G

D

R

V

L

I

L

R

H

T

T

G

A

T

G

R

R

A

G

-

R

-

H

-

Y

K

R

K

K

S

S

S

A

A

A

G

G

Y

Y

D

N

L

L

T

T

R

G

L

L

M

F

V

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

L

I

F
x
I

T

T

E

S

V

T

T

T

V

L

R

R

L

L

Y

H

P

P

L

A

P

P

E

E

A

A

V

T

S

V

A

A

I

T

C

C

S

A

F

F

P

P

S

S

I

V

E

Q

A

A

V

V

R

D

T

S

V

T

I

V

Q

Q

T

I

I

L

Q

Q

L

A

G

A

V

V

P

P

I

V

A

A

R

R

V

I

E

E

L

F

I

L

D

D

V

D

N

V

A

M

V

M

R

D

M

A

V

C

N

N

A

R

H

H

S

S

K

K

L

L

H

N

L

C

R

P

E

V

E

A

P

P

L

T

L

L

L

F

M

L

E

E

F

F

H

H

G

G

S

S

P

Q

T

Q

G

T

V

L

Q

A

E

E

Q

Q

A

L

E

Q

V

R

V

T

Q

E

D

A

I

I

A

T

R

Q

E

D

W

N

G

G

N

S

A

H

F

F

E

S

W

W

A

A

T

A

T

-

P

-

E

E

E

K

R

R

T

N

R

E

L

L

W

W

T

A

A

A

R
|
R

H

H

N

N

A

A

Y
x
W

F
x
Y

A

A

V

L

Q

A

S

L

R

S

P

P

G

G

C

S

K

K

A

A

I

Y

S

S

T

T

D

D

T

V

C

C

V

V

P

P

I

I

S

S

R

R

L

L

A

P

D

E

C

I

L

L

L

V

D

E

S

T

V

K

A

E

E

E

A

I

D

K

A

A

S

S

G

K

I

L

P

T

Y

G

F

A

L

I

V

V

G

G

H
|
H

V

V

G

G

D

D

G

G

N

N

F

F

H

A

F

C

G

I

Y

L

L

L

I

V

D

D

P

P

D

D

S

D

P

A

D

E

E

E

R

Q

T

R

R

R

A

V

E

K

Q

A

L

F

N

A

H

E

Q

N

L

L

V

G

A

R

R

R

A

A

L

L

R

A

M

L

Q

G

G

G

T

T

C

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

I

L

H

G

K

K

M

R

D

Q

F

L

L

L

Q

Q

E

E

A

V

G

G

E

P

G

V

A

G

V

V

A

E

M

T

M

M

R

R

A

Q

I

L

K

K

Q

N

A

T

L

L

D

D

P

P

Q

R

N

G

I

L

L

M

N
|
N

P

P

G

G

K

K

I

V

F

L

binding (2R)-2-hydroxyhexanoic acid: R319 (= R330), W323 (≠ Y334), H415 (= H426)
binding flavin-adenine dinucleotide: P68 (= P80), G70 (= G82), T71 (≠ A83), G72 (= G84), T73 (≠ S85), G74 (≠ S86), G78 (≠ H90), V79 (≠ L91), L90 (= L102), P132 (= P144), G133 (= G145), A134 (= A146), G140 (= G152), M141 (= M153), A143 (= A155), T144 (= T156), A146 (= A158), S147 (= S159), E200 (= E209), G201 (= G210), I206 (≠ F215), Y324 (≠ F335), H370 (= H381), E414 (= E425), N451 (= N462)

8jdnA Crystal structure of h405a mldhd in complex with d-2-hydroxyvaleric acid (see paper)
49% identity, 95% coverage: 18:467/472 of query aligns to 5:456/456 of 8jdnA

query
sites
8jdnA

F

F

L

V

A

E

A

A

L

L

S

K

A

A

R

V

F

V

G

G

A

S

-

P

Q

H

C

V

S

S

M

T

A

A

A

S

A

A

V

V

C

R

A

E

Q

Q

H

H

G

G

R

H

D

D

E

E

G

S

S

M

L

H

Q

R

A

C

P

Q

P

P

A

D

A

A

V

V

F

W

A

P

E

Q

S

N

T

V

Q

D

D

Q

V

V

Q

S

D

R

A

V

V

A

R

S

L

L

A

C

A

Y

Q

N

Y

Q

G

G

V

V

P

P

V

I

I

I

P
|
P

Y

F

G
|
G

A
x
T

G
|
G

S
x
T

S
x
G

L

V

E

E

G

G

H
x
G

L
x
V

L

C

A

A

V

V

Q

Q

G

G

I

V

S

C

I

I

D

N

L
|
L

G

T

R

H

M

M

N

D

R

Q

V

I

L

T

S

E

V

L

N

N

A

T

D

E

D

D

L

F

T

S

V

V

T

V

V

V

Q

E

P

P

G

G

I

V

T

T

R

R

K

K

A

A

L

L

N

N

D

T

A

H

I

L

K

R

D

D

T

S

G

G

L

L

F

W

F

F

P

P

I

V

D

D

P
|
P

G
|
G

A
|
A

D

D

A

A

S

S

I

L

G

C

G
|
G

M
|
M

A

A

A
|
A

T
|
T

R

G

A
|
A

S
|
S

G

G

T

T

N

N

A

A

V

V

R

R

Y

Y

G

G

T

T

M

M

R

R

E

D

N

N

V

V

L

I

A

N

L

L

E

E

V

V

T

L

A

P

S

D

G

G

D

R

V

L

I

L

R

H

T

T

G

A

T

G

R

R

A

G

-

R

-

H

-

Y

K

R

K

K

S

S

S

A

A

A

G

G

Y

Y

D

N

L

L

T

T

R

G

L

L

M

F

V

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

L

I

F
x
I

T

T

E

S

V

T

T

T

V

L

R

R

L

L

Y

H

P

P

L

A

P

P

E

E

A

A

V

T

S

V

A

A

I

T

C

C

S

A

F

F

P

P

S

S

I

V

E

Q

A

A

V

V

R

D

T

S

V

T

I

V

Q

Q

T

I

I

L

Q

Q

L

A

G

A

V

V

P

P

I

V

A

A

R

R

V

I

E

E

L

F

I

L

D

D

V

D

N

V

A

M

V

M

R

D

M

A

V

C

N

N

A

R

H

H

S

S

K

K

L

L

H

N

L

C

R

P

E

V

E

A

P

P

L

T

L

L

L

F

M

L

E

E

F

F

H

H

G

G

S

S

P

Q

T

Q

G

T

V

L

Q

A

E

E

Q

Q

A

L

E

Q

V

R

V

T

Q

E

D

A

I

I

A

T

R

Q

E

D

W

N

G

G

N

S

A

H

F

F

E

S

W

W

A

A

T

A

T

-

P

-

E

E

E

K

R

R

T

N

R

E

L

L

W

W

T

A

A

A

R
|
R

H

H

N

N

A

A

Y
x
W

F

Y

A

A

V

L

Q

A

S

L

R

S

P

P

G

G

C

S

K

K

A

A

I

Y

S

S

T

T

D

D

T

V

C

C

V

V

P

P

I

I

S

S

R

R

L

L

A

P

D

E

C

I

L

L

L

V

D

E

S

T

V

K

A

E

E

E

A

I

D

K

A

A

S

S

G

K

I

L

P

T

Y

G

F

A

L

I

V

V

G

G

H
|
H

V

V

G

G

D

D

G

G

N

N

F

F

H

A

F

C

G

I

Y

L

L

L

I

V

D

D

P

P

D

D

S

D

P

A

D

E

E

E

R

Q

T

R

R

R

A

V

E

K

Q

A

L

F

N

A

H

E

Q

N

L

L

V

G

A

R

R

R

A

A

L

L

R

A

M

L

Q

G

G

G

T

T

C

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

I

L

H

G

K

K

M

R

D

Q

F

L

L

L

Q

Q

E

E

A

V

G

G

E

P

G

V

A

G

V

V

A

E

M

T

M

M

R

R

A

Q

I

L

K

K

Q

N

A

T

L

L

D

D

P

P

Q

R

N

G

I

L

L

M

N
|
N

P

P

G

G

K

K

I

V

F

L

binding flavin-adenine dinucleotide: P68 (= P80), G70 (= G82), T71 (≠ A83), G72 (= G84), T73 (≠ S85), G74 (≠ S86), G78 (≠ H90), V79 (≠ L91), L90 (= L102), P132 (= P144), G133 (= G145), A134 (= A146), G140 (= G152), M141 (= M153), A143 (= A155), T144 (= T156), A146 (= A158), S147 (= S159), E200 (= E209), G201 (= G210), I206 (≠ F215), H370 (= H381), E414 (= E425), N451 (= N462)
binding (2R)-2-oxidanylpentanoic acid: R319 (= R330), W323 (≠ Y334), H415 (= H426)

8jdgA Crystal structure of h405a mldhd in complex with d-2-hydroxybutanoic acid (see paper)
49% identity, 95% coverage: 18:467/472 of query aligns to 5:456/456 of 8jdgA

query
sites
8jdgA

F

F

L

V

A

E

A

A

L

L

S

K

A

A

R

V

F

V

G

G

A

S

-

P

Q

H

C

V

S

S

M

T

A

A

A

S

A

A

V

V

C

R

A

E

Q

Q

H

H

G

G

R

H

D

D

E

E

G

S

S

M

L

H

Q

R

A

C

P

Q

P

P

A

D

A

A

V

V

F

W

A

P

E

Q

S

N

T

V

Q

D

D

Q

V

V

Q

S

D

R

A

V

V

A

R

S

L

L

A

C

A

Y

Q

N

Y

Q

G

G

V

V

P

P

V

I

I

I

P
|
P

Y

F

G
|
G

A
x
T

G
|
G

S
x
T

S
x
G

L

V

E

E

G

G

H
x
G

L
x
V

L

C

A

A

V

V

Q

Q

G

G

I

V

S

C

I

I

D

N

L
|
L

G

T

R

H

M

M

N

D

R

Q

V

I

L

T

S

E

V

L

N

N

A

T

D

E

D

D

L

F

T

S

V

V

T

V

V

V

Q

E

P

P

G

G

I

V

T

T

R

R

K

K

A

A

L

L

N

N

D

T

A

H

I

L

K

R

D

D

T

S

G

G

L

L

F

W

F

F

P

P

I

V

D

D

P
|
P

G
|
G

A
|
A

D

D

A

A

S

S

I

L

G

C

G
|
G

M
|
M

A

A

A
|
A

T
|
T

R

G

A
|
A

S
|
S

G

G

T

T

N

N

A

A

V

V

R

R

Y

Y

G

G

T

T

M

M

R

R

E

D

N

N

V

V

L

I

A

N

L

L

E

E

V

V

T

L

A

P

S

D

G

G

D

R

V

L

I

L

R

H

T

T

G

A

T

G

R

R

A

G

-

R

-

H

-

Y

K

R

K

K

S

S

S

A

A

A

G

G

Y

Y

D

N

L

L

T

T

R

G

L

L

M

F

V

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

L

I

F
x
I

T

T

E

S

V

T

T

T

V

L

R

R

L

L

Y

H

P

P

L

A

P

P

E

E

A

A

V

T

S

V

A

A

I

T

C

C

S

A

F

F

P

P

S

S

I

V

E

Q

A

A

V

V

R

D

T

S

V

T

I

V

Q

Q

T

I

I

L

Q

Q

L

A

G

A

V

V

P

P

I

V

A

A

R

R

V

I

E

E

L

F

I

L

D

D

V

D

N

V

A

M

V

M

R

D

M

A

V

C

N

N

A

R

H

H

S

S

K

K

L

L

H

N

L

C

R

P

E

V

E

A

P

P

L

T

L

L

L

F

M

L

E

E

F

F

H

H

G

G

S

S

P

Q

T

Q

G

T

V

L

Q

A

E

E

Q

Q

A

L

E

Q

V

R

V

T

Q

E

D

A

I

I

A

T

R

Q

E

D

W

N

G

G

N

S

A

H

F

F

E

S

W

W

A

A

T

A

T

-

P

-

E

E

E

K

R

R

T

N

R

E

L

L

W

W

T

A

A

A

R
|
R

H

H

N

N

A

A

Y

W

F

Y

A

A

V

L

Q

A

S

L

R

S

P

P

G

G

C

S

K

K

A

A

I

Y

S

S

T

T

D

D

T

V

C

C

V

V

P

P

I

I

S

S

R

R

L

L

A

P

D

E

C

I

L

L

L

V

D

E

S

T

V

K

A

E

E

E

A

I

D

K

A

A

S

S

G

K

I

L

P

T

Y

G

F

A

L

I

V

V

G

G

H
|
H

V

V

G

G

D

D

G

G

N

N

F

F

H

A

F

C

G

I

Y

L

L

L

I

V

D

D

P

P

D

D

S

D

P

A

D

E

E

E

R

Q

T

R

R

R

A

V

E

K

Q

A

L

F

N

A

H

E

Q

N

L

L

V

G

A

R

R

R

A

A

L

L

R

A

M

L

Q

G

G

G

T

T

C

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

I

L

H

G

K

K

M

R

D

Q

F

L

L

L

Q

Q

E

E

A

V

G

G

E

P

G

V

A

G

V

V

A

E

M

T

M

M

R

R

A

Q

I

L

K

K

Q

N

A

T

L

L

D

D

P

P

Q

R

N

G

I

L

L

M

N
|
N

P

P

G

G

K

K

I

V

F

L

binding flavin-adenine dinucleotide: P68 (= P80), G70 (= G82), T71 (≠ A83), G72 (= G84), T73 (≠ S85), G74 (≠ S86), G78 (≠ H90), V79 (≠ L91), L90 (= L102), P132 (= P144), G133 (= G145), A134 (= A146), G140 (= G152), M141 (= M153), A143 (= A155), T144 (= T156), A146 (= A158), S147 (= S159), E200 (= E209), G201 (= G210), I206 (≠ F215), H370 (= H381), E414 (= E425), N451 (= N462)
binding (2R)-2-oxidanylbutanoic acid: R319 (= R330), H415 (= H426)

8jdbA Crystal structure of h405a mldhd in complex with d-2-hydroxyoctanoic acid (see paper)
49% identity, 95% coverage: 18:467/472 of query aligns to 5:456/456 of 8jdbA

query
sites
8jdbA

F

F

L

V

A

E

A

A

L

L

S

K

A

A

R

V

F

V

G

G

A

S

-

P

Q

H

C

V

S

S

M

T

A

A

A

S

A

A

V

V

C

R

A

E

Q

Q

H

H

G

G

R

H

D

D

E

E

G

S

S

M

L

H

Q

R

A

C

P

Q

P

P

A

D

A

A

V

V

F

W

A

P

E

Q

S

N

T

V

Q

D

D

Q

V

V

Q

S

D

R

A

V

V

A

R

S

L

L

A

C

A

Y

Q

N

Y

Q

G

G

V

V

P

P

V

I

I

I

P
|
P

Y

F

G
|
G

A
x
T

G
|
G

S
x
T

S
x
G

L
x
V

E

E

G

G

H
x
G

L
x
V

L

C

A

A

V

V

Q

Q

G

G

I

V

S

C

I

I

D

N

L
|
L

G

T

R

H

M

M

N

D

R

Q

V

I

L

T

S

E

V

L

N

N

A

T

D

E

D

D

L

F

T

S

V

V

T

V

V

V

Q

E

P

P

G

G

I

V

T

T

R

R

K

K

A

A

L

L

N

N

D

T

A

H

I

L

K

R

D

D

T

S