SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_066195381.1 NCBI__GCF_002835735.1:WP_066195381.1 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)

8jdsA Crystal structure of mldhd in complex with pyruvate (see paper)
45% identity, 96% coverage: 13:463/468 of query aligns to 4:456/456 of 8jdsA

query
sites
8jdsA

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K

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M

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S

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binding flavin-adenine dinucleotide: E32 (= E41), P68 (= P77), G70 (= G79), T71 (≠ V80), G72 (= G81), T73 (≠ S82), G74 (≠ S83), G78 (≠ H87), V79 (≠ A88), L90 (≠ F99), P132 (= P141), G133 (= G142), A134 (= A143), G140 (= G149), M141 (= M150), A143 (= A152), T144 (= T153), A146 (= A155), S147 (= S156), E200 (= E206), G201 (= G207), I206 (≠ F212), W323 (≠ A331), E414 (= E422), H415 (= H423), N451 (= N458)
binding manganese (ii) ion: H370 (= H378), H377 (= H385), E414 (= E422)
binding pyruvic acid: R319 (= R327), H370 (= H378), H377 (= H385), H415 (= H423)

8jduA Crystal structure of mldhd in complex with 2-ketovaleric acid (see paper)
44% identity, 96% coverage: 13:463/468 of query aligns to 4:455/455 of 8jduA

query
sites
8jduA

N

D

L

F

V

V

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E

A

A

L

L

K

K

A

A

F

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L

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E

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E

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Q

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N

A

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A

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E

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Q

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Y

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P

F

F

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G

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x
T

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G

S
x
T

S
x
G

L

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E

E

G

G

H
x
G

A
x
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Y

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N

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x
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M

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P

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A

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G

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A

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H

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E

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H

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G

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P

-

V

A

G

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L

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N
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P

N

G

K

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I

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V

L

binding 2-oxopentanoic acid: R318 (= R327), W322 (≠ A331), H369 (= H378), H376 (= H385), H414 (= H423)
binding flavin-adenine dinucleotide: P68 (= P77), G70 (= G79), T71 (≠ V80), G72 (= G81), T73 (≠ S82), G74 (≠ S83), G78 (≠ H87), V79 (≠ A88), L90 (≠ F99), P132 (= P141), G133 (= G142), A134 (= A143), G140 (= G149), M141 (= M150), A143 (= A152), T144 (= T153), A146 (= A155), S147 (= S156), E200 (= E206), G201 (= G207), I206 (≠ F212), W322 (≠ A331), E413 (= E422), N450 (= N458)
binding manganese (ii) ion: H369 (= H378), H376 (= H385), E413 (= E422)

8jdvA Crystal structure of mldhd in complex with 2-ketohexanoic acid (see paper)
45% identity, 96% coverage: 13:463/468 of query aligns to 4:454/454 of 8jdvA

query
sites
8jdvA

N

D

L

F

V

V

S

E

A

A

L

L

K

K

A

A

F

V

L

V

R

G

E

S

E

P

Q

H

V

V

T

S

T

T

N

A

Q

S

T

A

I

V

L

R

E

E

L

Q

H

H

S

G

K

H

D

D

E

E

S

S

Y

M

H

H

T

R

P

C

S

Q

L

P

P

P

D

D

I

A

V

V

F

W

P

P

M

Q

T

N

A

V

D

D

E

Q

V

V

S

S

G

R

I

V

M

A

K

S

L

L

A

C

Q

Y

Q

N

Y

Q

Q

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P

V

I

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P

F

F

G
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G

V
x
T

G
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G

S
x
T

S
x
G

L
x
V

E

E

G

G

H
x
G

A
x
V

I

C

P

A

Y

V

E

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H

G

G

G

I

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T

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V

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N

F
x
L

T

T

L

H

M

M

N

D

K

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L

T

E

E

V

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R

N

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E

E

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D

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F

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E

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P

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L

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E

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K

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Y

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G

G

L

L

F

W

F

F

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P

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V

D

D

P
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P

G
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G

A
|
A

D

D

A

A

T

S

L

L

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C

G
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G

M
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M

A

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

T

T

T

N

S

A

V

V

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R

Y

Y

G

G

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M

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R

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E

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D

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G

G

I

S

E

H

F

F

E

S

T

A

D

E

N

K

A

-

R

R

N

N

Q

E

L

L

W

W

E

A

A

A

R
|
R

H

H

N

N

L

A

A
x
W

Y
|
Y

A

A

F

A

V

L

H

A

G

L

N

S

P

P

G

G

K

S

K

K

L

A

M

Y

V

S

T

T

D

D

V

V

C

C

V

V

P

P

I

I

S

S

E

R

L

L

A

P

G

E

A

I

V

L

N

V

H

E

A

T

R

K

Q

E

G

E

L

I

Q

K

T

A

L

S

G

K

L

L

T

T

G

G

G

A

L

I

T

V

G

G

H
|
H

V

V

G

G

D

D

G

G

N

N

F

F

H
|
H

A

C

L

I

L

L

M

L

L

V

D

D

L

P

S

D

N

D

Q

A

E

E

I

Q

K

R

A

V

E

K

Q

A

F

F

N

A

E

E

W

N

I

L

V

G

M

R

Y

R

A

A

L

L

E

A

R

L

G

G

T

T

C

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

I

L

G

G

K

K

Q

R

K

Q

Y

L

Q

L

E

Q

K

E

E

E

H

V

G

G

K

P

-

V

A

G

L

V

L

E

V

T

M

M

E

R

K

Q

I

L

K

K

A

N

A

T

L

L

D

D

P

P

N

R

C

G

I

L

L

M

N
|
N

P

P

N

G

K

K

I

V

V

L

binding 2-Ketohexanoic acid: V75 (≠ L84), R317 (= R327), W321 (≠ A331), H368 (= H378), H375 (= H385), H413 (= H423)
binding flavin-adenine dinucleotide: P68 (= P77), G70 (= G79), T71 (≠ V80), G72 (= G81), T73 (≠ S82), G74 (≠ S83), G78 (≠ H87), V79 (≠ A88), L90 (≠ F99), P132 (= P141), G133 (= G142), A134 (= A143), G140 (= G149), M141 (= M150), A143 (= A152), T144 (= T153), A146 (= A155), S147 (= S156), E200 (= E206), G201 (= G207), I206 (≠ F212), W321 (≠ A331), Y322 (= Y332), E412 (= E422), H413 (= H423), N449 (= N458)
binding manganese (ii) ion: H368 (= H378), H375 (= H385), E412 (= E422)

8jdeA Crystal structure of mldhd in complex with d-lactate (see paper)
44% identity, 96% coverage: 13:463/468 of query aligns to 4:455/455 of 8jdeA

query
sites
8jdeA

N

D

L

F

V

V

S

E

A

A

L

L

K

K

A

A

F

V

L

V

R

G

E

S

E

P

Q

H

V

V

T

S

T

T

N

A

Q

S

T

A

I

V

L

R

E

E

L

Q

H

H

S

G

K

H

D

D

E

E

S

S

Y

M

H

H

T

R

P

C

S

Q

L

P

P

P

D

D

I

A

V

V

F

W

P

P

M

Q

T

N

A

V

D

D

E

Q

V

V

S

S

G

R

I

V

M

A

K

S

L

L

A

C

Q

Y

Q

N

Y

Q

Q

G

V

V

P

P

V

I

P
|
P

F

F

G
|
G

V
x
T

G
|
G

S
x
T

S
x
G

L

V

E

E

G

G

H
x
G

A
x
V

I

C

P

A

Y

V

E

Q

H

G

G

G

I

V

T

C

V

I

D

N

F
x
L

T

T

L

H

M

M

N

D

K

Q

V

I

L

T

E

E

V

L

R

N

E

T

E

E

D

D

F

F

L

S

V

V

K

V

V

V

Q

E

P

P

G

G

V

V

T

T

R

R

S

K

Q

A

L

L

N

N

K

T

E

H

L

L

K

R

K

D

Y

S

G

G

L

L

F

W

F

F

P

P

V

V

D

D

P
|
P

G
|
G

A
|
A

D

D

A

A

T

S

L

L

G

C

G
|
G

M
|
M

A

A

A
|
A

T
|
T

N

G

A
|
A

S
|
S

G

G

T

T

T

N

S

A

V

V

K

R

Y

Y

G

G

V

T

M

M

R

R

D

D

Q

N

V

V

L

I

D

N

L

L

E

E

V

V

L

L

A

P

D

D

G

G

E

R

M

L

I

L

H

H

T

T

-

A

-

G

-

R

G

G

S

R

M

H

A

Y

A

R

K

K

S

S

S

A

G

G

Y

Y

H

N

L

L

N

T

G

G

L

L

F

F

V

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

C

I

F
x
I

T

T

E

S

L

T

T

T

L

L

K

R

V

L

Y

H

G

P

I

A

P

P

E

E

F

A

T

T

M

V

A

A

G

A

R

T

A

C

I

A

F

F

K

P

T

S

V

V

D

Q

D

A

A

A

V

V

G

D

A

S

V

T

V

V

G

Q

I

I

L

L

Q

Q

A

A

G

A

I

V

P

P

I

V

A

A

R

R

V

I

E

E

L

F

V

L

D

D

E

D

E

V

S

M

I

M

H

D

Q

A

V

C

N

N

L

R

F

H

S

S

E

K

T

L

S

N

Y

C

K

P

V

V

Q

A

P

P

T

T

L

L

F

F

L

L

E

E

F

F

H

H

G

G

N

S

E

Q

A

Q

G

T

L

L

Q

A

Q

E

D

Q

V

L

N

Q

F

R

M

T

K

E

D

A

I

I

V

T

A

Q

D

D

F

-

N

-

C

-

D

N

G

G

I

G

E

S

F

H

E

F

T

S

D

W

N

A

A

A

A

E

R

K

N

N

Q

E

L

L

W

W

E

A

A

A

R
|
R

H

H

N

N

L

A

A
x
W

Y

Y

A

A

F

A

V

L

H

A

G

L

N

S

P

P

G

G

K

S

K

K

L

A

M

Y

V

S

T

T

D

D

V

V

C

C

V

V

P

P

I

I

S

S

E

R

L

L

A

P

G

E

A

I

V

L

N

V

H

E

A

T

R

K

Q

E

G

E

L

I

Q

K

T

A

L

S

G

K

L

L

T

T

G

G

G

A

L

I

T

V

G

G

H
|
H

V

V

G

G

D

D

G

G

N

N

F

F

H
|
H

A

C

L

I

L

L

M

L

L

V

D

D

L

P

S

D

N

D

Q

A

E

E

I

Q

K

R

A

V

E

K

Q

A

F

F

N

A

E

E

W

N

I

L

V

G

M

R

Y

R

A

A

L

L

E

A

R

L

G

G

T

T

C

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

I

L

G

G

K

K

Q

R

K

Q

Y

L

Q

L

E

Q

K

E

E

E

H

V

G

G

K

P

-

V

A

G

L

V

L

E

V

T

M

M

E

R

K

Q

I

L

K

K

A

N

A

T

L

L

D

D

P

P

N

R

C

G

I

L

L

M

N
|
N

P

P

N

G

K

K

I

V

V

L

binding flavin-adenine dinucleotide: P68 (= P77), G70 (= G79), T71 (≠ V80), G72 (= G81), T73 (≠ S82), G74 (≠ S83), G78 (≠ H87), V79 (≠ A88), L90 (≠ F99), P132 (= P141), G133 (= G142), A134 (= A143), G140 (= G149), M141 (= M150), A143 (= A152), T144 (= T153), A146 (= A155), S147 (= S156), E200 (= E206), G201 (= G207), I206 (≠ F212), W322 (≠ A331), E413 (= E422), H414 (= H423), N450 (= N458)
binding lactic acid: R318 (= R327), H369 (= H378), H376 (= H385), H414 (= H423)
binding manganese (ii) ion: H369 (= H378), H376 (= H385), E413 (= E422)

8jdtA Crystal structure of mldhd in complex with 2-ketobutanoic acid (see paper)
44% identity, 96% coverage: 13:463/468 of query aligns to 4:455/455 of 8jdtA

query
sites
8jdtA

N

D

L

F

V

V

S

E

A

A

L

L

K

K

A

A

F

V

L

V

R

G

E

S

E

P

Q

H

V

V

T

S

T

T

N

A

Q

S

T

A

I

V

L

R

E

E

L

Q

H

H

S

G

K

H

D

D

E

E

S

S

Y

M

H

H

T

R

P

C

S

Q

L

P

P

P

D

D

I

A

V

V

F

W

P

P

M

Q

T

N

A

V

D

D

E

Q

V

V

S

S

G

R

I

V

M

A

K

S

L

L

A

C

Q

Y

Q

N

Y

Q

Q

G

V

V

P

P

V

I

P
|
P

F

F

G
|
G

V
x
T

G
|
G

S
x
T

S
x
G

L

V

E

E

G

G

H
x
G

A
x
V

I

C

P

A

Y

V

E

Q

H

G

G

G

I

V

T

C

V

I

D

N

F
x
L

T

T

L

H

M

M

N

D

K

Q

V

I

L

T

E

E

V

L

R

N

E

T

E

E

D

D

F

F

L

S

V

V

K

V

V

V

Q

E

P

P

G

G

V

V

T

T

R

R

S

K

Q

A

L

L

N

N

K

T

E

H

L

L

K

R

K

D

Y

S

G

G

L

L

F

W

F

F

P

P

V

V

D

D

P
|
P

G
|
G

A
|
A

D

D

A

A

T

S

L

L

G

C

G
|
G

M
|
M

A

A

A
|
A

T
|
T

N

G

A
|
A

S
|
S

G

G

T

T

T

N

S

A

V

V

K

R

Y

Y

G

G

V

T

M

M

R

R

D

D

Q

N

V

V

L

I

D

N

L

L

E

E

V

V

L

L

A

P

D

D

G

G

E

R

M

L

I

L

H

H

T

T

-

A

-

G

-

R

G

G

S

R

M

H

A

Y

A

R

K

K

S

S

S

A

G

G

Y

Y

H

N

L

L

N

T

G

G

L

L

F

F

V

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

C

I

F
x
I

T

T

E

S

L

T

T

T

L

L

K

R

V

L

Y

H

G

P

I

A

P

P

E

E

F

A

T

T

M

V

A

A

G

A

R

T

A

C

I

A

F

F

K

P

T

S

V

V

D

Q

D

A

A

A

V

V

G

D

A

S

V

T

V

V

G

Q

I

I

L

L

Q

Q

A

A

G

A

I

V

P

P

I

V

A

A

R

R

V

I

E

E

L

F

V

L

D

D

E

D

E

V

S

M

I

M

H

D

Q

A

V

C

N

N

L

R

F

H

S

S

E

K

T

L

S

N

Y

C

K

P

V

V

Q

A

P

P

T

T

L

L

F

F

L

L

E

E

F

F

H

H

G

G

N

S

E

Q

A

Q

G

T

L

L

Q

A

Q

E

D

Q

V

L

N

Q

F

R

M

T

K

E

D

A

I

I

V

T

A

Q

D

D

F

-

N

-

C

-

D

N

G

G

I

G

E

S

F

H

E

F

T

S

D

W

N

A

A

E

A

K

R

R

N

N

Q

E

L

L

W

W

E

A

A

A

R
|
R

H

H

N

N

L

A

A
x
W

Y

Y

A

A

F

A

V

L

H

A

G

L

N

S

P

P

G

G

K

S

K

K

L

A

M

Y

V

S

T

T

D

D

V

V

C

C

V

V

P

P

I

I

S

S

E

R

L

L

A

P

G

E

A

I

V

L

N

V

H

E

A

T

R

K

Q

E

G

E

L

I

Q

K

T

A

L

S

G

K

L

L

T

T

G

G

G

A

L

I

T

V

G

G

H
|
H

V

V

G

G

D

D

G

G

N

N

F

F

H
|
H

A

C

L

I

L

L

M

L

L

V

D

D

L

P

S

D

N

D

Q

A

E

E

I

Q

K

R

A

V

E

K

Q

A

F

F

N

A

E

E

W

N

I

L

V

G

M

R

Y

R

A

A

L

L

E

A

R

L

G

G

T

T

C

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

I

L

G

G

K

K

Q

R

K

Q

Y

L

Q

L

E

Q

K

E

E

E

H

V

G

G

K

P

-

V

A

G

L

V

L

E

V

T

M

M

E

R

K

Q

I

L

K

K

A

N

A

T

L

L

D

D

P

P

N

R

C

G

I

L

L

M

N
|
N

P

P

N

G

K

K

I

V

V

L

binding 2-ketobutyric acid: R318 (= R327), H369 (= H378), H376 (= H385), H414 (= H423)
binding flavin-adenine dinucleotide: P68 (= P77), G70 (= G79), T71 (≠ V80), G72 (= G81), T73 (≠ S82), G74 (≠ S83), G78 (≠ H87), V79 (≠ A88), L90 (≠ F99), P132 (= P141), G133 (= G142), A134 (= A143), G140 (= G149), M141 (= M150), A143 (= A152), T144 (= T153), A146 (= A155), S147 (= S156), E200 (= E206), G201 (= G207), I206 (≠ F212), W322 (≠ A331), E413 (= E422), H414 (= H423), N450 (= N458)
binding manganese (ii) ion: H369 (= H378), H376 (= H385), E413 (= E422)

8jdrA Crystal structure of h405a mldhd in complex with d-2-hydroxy-3-methyl- valeric acid (see paper)
44% identity, 96% coverage: 13:463/468 of query aligns to 4:456/456 of 8jdrA

query
sites
8jdrA

N

D

L

F

V

V

S

E

A

A

L

L

K

K

A

A

F

V

L

V

R

G

E

S

E

P

Q

H

V

V

T

S

T

T

N

A

Q

S

T

A

I

V

L

R

E

E

L

Q

H

H

S

G

K

H

D

D

E

E

S

S

Y

M

H

H

T

R

P

C

S

Q

L

P

P

P

D

D

I

A

V

V

F

W

P

P

M

Q

T

N

A

V

D

D

E

Q

V

V

S

S

G

R

I

V

M

A

K

S

L

L

A

C

Q

Y

Q

N

Y

Q

Q

G

V

V

P

P

V

I

P
|
P

F

F

G
|
G

V
x
T

G
|
G

S
x
T

S
x
G

L

V

E

E

G

G

H
x
G

A
x
V

I

C

P

A

Y

V

E

Q

H

G

G

G

I

V

T

C

V

I

D

N

F
x
L

T

T

L

H

M

M

N

D

K

Q

V

I

L

T

E

E

V

L

R

N

E

T

E

E

D

D

F

F

L

S

V

V

K

V

V

V

Q

E

P

P

G

G

V

V

T

T

R

R

S

K

Q

A

L

L

N

N

K

T

E

H

L

L

K

R

K

D

Y

S

G

G

L

L

F

W

F

F

P

P

V

V

D

D

P
|
P

G
|
G

A
|
A

D

D

A

A

T

S

L

L

G

C

G
|
G

M
|
M

A

A

A
|
A

T
|
T

N

G

A
|
A

S
|
S

G

G

T

T

T

N

S

A

V

V

K

R

Y

Y

G

G

V

T

M

M

R

R

D

D

Q

N

V

V

L

I

D

N

L

L

E

E

V

V

L

L

A

P

D

D

G

G

E

R

M

L

I

L

H

H

T

T

-

A

-

G

-

R

G

G

S

R

M

H

A

Y

A

R

K

K

S

S

S

A

G

G

Y

Y

H

N

L

L

N

T

G

G

L

L

F

F

V

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

C

I

F
x
I

T

T

E

S

L

T

T

T

L

L

K

R

V

L

Y

H

G

P

I

A

P

P

E

E

F

A

T

T

M

V

A

A

G

A

R

T

A

C

I

A

F

F

K

P

T

S

V

V

D

Q

D

A

A

A

V

V

G

D

A

S

V

T

V

V

G

Q

I

I

L

L

Q

Q

A

A

G

A

I

V

P

P

I

V

A

A

R

R

V

I

E

E

L

F

V

L

D

D

E

D

E

V

S

M

I

M

H

D

Q

A

V

C

N

N

L

R

F

H

S

S

E

K

T

L

S

N

Y

C

K

P

V

V

Q

A

P

P

T

T

L

L

F

F

L

L

E

E

F

F

H

H

G

G

N

S

E

Q

A

Q

G

T

L

L

Q

A

Q

E

D

Q

V

L

N

Q

F

R

M

T

K

E

D

A

I

I

V

T

A

Q

D

D

F

N

N

G

C

-

D

-

G

G

I

S

E

H

F

F

E

S

T

W

D

A

N

A

A

E

A

K

R

R

N

N

Q

E

L

L

W

W

E

A

A

A

R
|
R

H

H

N

N

L

A

A
x
W

Y
|
Y

A

A

F

A

V

L

H

A

G

L

N

S

P

P

G

G

K

S

K

K

L

A

M

Y

V

S

T

T

D

D

V

V

C

C

V

V

P

P

I

I

S

S

E

R

L

L

A

P

G

E

A

I

V

L

N

V

H

E

A

T

R

K

Q

E

G

E

L

I

Q

K

T

A

L

S

G

K

L

L

T

T

G

G

G

A

L

I

T

V

G

G

H
|
H

V

V

G

G

D

D

G

G

N

N

F

F

H

A

A

C

L

I

L

L

M

L

L

V

D

D

L

P

S

D

N

D

Q

A

E

E

I

Q

K

R

A

V

E

K

Q

A

F

F

N

A

E

E

W

N

I

L

V

G

M

R

Y

R

A

A

L

L

E

A

R

L

G

G

T

T

C

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

I

L

G

G

K

K

Q

R

K

Q

Y

L

Q

L

E

Q

K

E

E

E

H

V

G

G

K

P

-

V

A

G

L

V

L

E

V

T

M

M

E

R

K

Q

I

L

K

K

A

N

A

T

L

L

D

D

P

P

N

R

C

G

I

L

L

M

N
|
N

P

P

N

G

K

K

I

V

V

L

binding flavin-adenine dinucleotide: P68 (= P77), G70 (= G79), T71 (≠ V80), G72 (= G81), T73 (≠ S82), G74 (≠ S83), G78 (≠ H87), V79 (≠ A88), L90 (≠ F99), P132 (= P141), G133 (= G142), A134 (= A143), G140 (= G149), M141 (= M150), A143 (= A152), T144 (= T153), A146 (= A155), S147 (= S156), E200 (= E206), G201 (= G207), I206 (≠ F212), Y324 (= Y332), H370 (= H378), E414 (= E422), N451 (= N458)
binding (2R,3S)-3-methyl-2-oxidanyl-pentanoic acid: R319 (= R327), W323 (≠ A331), H415 (= H423)

8jdqA Crystal structure of h405a mldhd in complex with d-2-hydroxyisocaproic acid (see paper)
44% identity, 96% coverage: 13:463/468 of query aligns to 4:456/456 of 8jdqA

query
sites
8jdqA

N

D

L

F

V

V

S

E

A

A

L

L

K

K

A

A

F

V

L

V

R

G

E

S

E

P

Q

H

V

V

T

S

T

T

N

A

Q

S

T

A

I

V

L

R

E

E

L

Q

H

H

S

G

K

H

D

D

E

E

S

S

Y

M

H

H

T

R

P

C

S

Q

L

P

P

P

D

D

I

A

V

V

F

W

P

P

M

Q

T

N

A

V

D

D

E

Q

V

V

S

S

G

R

I

V

M

A

K

S

L

L

A

C

Q

Y

Q

N

Y

Q

Q

G

V

V

P

P

V

I

P
|
P

F

F

G
|
G

V
x
T

G
|
G

S
x
T

S
x
G

L

V

E

E

G

G

H
x
G

A
x
V

I

C

P

A

Y

V

E

Q

H

G

G

G

I

V

T

C

V

I

D

N

F
x
L

T

T

L

H

M

M

N

D

K

Q

V

I

L

T

E

E

V

L

R

N

E

T

E

E

D

D

F

F

L

S

V

V

K

V

V

V

Q

E

P

P

G

G

V

V

T

T

R

R

S

K

Q

A

L

L

N

N

K

T

E

H

L

L

K

R

K

D

Y

S

G

G

L

L

F

W

F

F

P

P

V

V

D

D

P
|
P

G
|
G

A
|
A

D

D

A

A

T

S

L

L

G

C

G
|
G

M
|
M

A

A

A
|
A

T
|
T

N

G

A
|
A

S
|
S

G

G

T

T

T

N

S

A

V

V

K

R

Y

Y

G

G

V

T

M

M

R

R

D

D

Q

N

V

V

L

I

D

N

L

L

E

E

V

V

L

L

A

P

D

D

G

G

E

R

M

L

I

L

H

H

T

T

-

A

-

G

-

R

G

G

S

R

M

H

A

Y

A

R

K

K

S

S

S

A

G

G

Y

Y

H

N

L

L

N

T

G

G

L

L

F

F

V

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

C

I

F
x
I

T

T

E

S

L

T

T

T

L

L

K

R

V

L

Y

H

G

P

I

A

P

P

E

E

F

A

T

T

M

V

A

A

G

A

R

T

A

C

I

A

F

F

K

P

T

S

V

V

D

Q

D

A

A

A

V

V

G

D

A

S

V

T

V

V

G

Q

I

I

L

L

Q

Q

A

A

G

A

I

V

P

P

I

V

A

A

R

R

V

I

E

E

L

F

V

L

D

D

E

D

E

V

S

M

I

M

H

D

Q

A

V

C

N

N

L

R

F

H

S

S

E

K

T

L

S

N

Y

C

K

P

V

V

Q

A

P

P

T

T

L

L

F

F

L

L

E

E

F

F

H

H

G

G

N

S

E

Q

A

Q

G

T

L

L

Q

A

Q

E

D

Q

V

L

N

Q

F

R

M

T

K

E

D

A

I

I

V

T

A

Q

D

D

F

N

N

G

C

-

D

-

G

G

I

S

E

H

F

F

E

S

T

W

D

A

N

A

A

E

A

K

R

R

N

N

Q

E

L

L

W

W

E

A

A

A

R
|
R

H

H

N

N

L

A

A
x
W

Y

Y

A

A

F

A

V

L

H

A

G

L

N

S

P

P

G

G

K

S

K

K

L

A

M

Y

V

S

T

T

D

D

V

V

C

C

V

V

P

P

I

I

S

S

E

R

L

L

A

P

G

E

A

I

V

L

N

V

H

E

A

T

R

K

Q

E

G

E

L

I

Q

K

T

A

L

S

G

K

L

L

T

T

G

G

G

A

L

I

T

V

G

G

H
|
H

V

V

G

G

D

D

G

G

N

N

F

F

H

A

A

C

L

I

L

L

M

L

L

V

D

D

L

P

S

D

N

D

Q

A

E

E

I

Q

K

R

A

V

E

K

Q

A

F

F

N

A

E

E

W

N

I

L

V

G

M

R

Y

R

A

A

L

L

E

A

R

L

G

G

T

T

C

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

I

L

G

G

K

K

Q

R

K

Q

Y

L

Q

L

E

Q

K

E

E

E

H

V

G

G

K

P

-

V

A

G

L

V

L

E

V

T

M

M

E

R

K

Q

I

L

K

K

A

N

A

T

L

L

D

D

P

P

N

R

C

G

I

L

L

M

N
|
N

P

P

N

G

K

K

I

V

V

L

binding (2R)-2-hydroxy-4-methylpentanoic acid: R319 (= R327), W323 (≠ A331), H370 (= H378), H415 (= H423)
binding flavin-adenine dinucleotide: P68 (= P77), G70 (= G79), T71 (≠ V80), G72 (= G81), T73 (≠ S82), G74 (≠ S83), G78 (≠ H87), V79 (≠ A88), L90 (≠ F99), P132 (= P141), G133 (= G142), A134 (= A143), G140 (= G149), M141 (= M150), A143 (= A152), T144 (= T153), A146 (= A155), S147 (= S156), E200 (= E206), G201 (= G207), I206 (≠ F212), H370 (= H378), E414 (= E422), N451 (= N458)

8jdoA Crystal structure of h405a mldhd in complex with d-2-hydroxyhexanoic acid (see paper)
44% identity, 96% coverage: 13:463/468 of query aligns to 4:456/456 of 8jdoA

query
sites
8jdoA

N

D

L

F

V

V

S

E

A

A

L

L

K

K

A

A

F

V

L

V

R

G

E

S

E

P

Q

H

V

V

T

S

T

T

N

A

Q

S

T

A

I

V

L

R

E

E

L

Q

H

H

S

G

K

H

D

D

E

E

S

S

Y

M

H

H

T

R

P

C

S

Q

L

P

P

P

D

D

I

A

V

V

F

W

P

P

M

Q

T

N

A

V

D

D

E

Q

V

V

S

S

G

R

I

V

M

A

K

S

L

L

A

C

Q

Y

Q

N

Y

Q

Q

G

V

V

P

P

V

I

P
|
P

F

F

G
|
G

V
x
T

G
|
G

S
x
T

S
x
G

L

V

E

E

G

G

H
x
G

A
x
V

I

C

P

A

Y

V

E

Q

H

G

G

G

I

V

T

C

V

I

D

N

F
x
L

T

T

L

H

M

M

N

D

K

Q

V

I

L

T

E

E

V

L

R

N

E

T

E

E

D

D

F

F

L

S

V

V

K

V

V

V

Q

E

P

P

G

G

V

V

T

T

R

R

S

K

Q

A

L

L

N

N

K

T

E

H

L

L

K

R

K

D

Y

S

G

G

L

L

F

W

F

F

P

P

V

V

D

D

P
|
P

G
|
G

A
|
A

D

D

A

A

T

S

L

L

G

C

G
|
G

M
|
M

A

A

A
|
A

T
|
T

N

G

A
|
A

S
|
S

G

G

T

T

T

N

S

A

V

V

K

R

Y

Y

G

G

V

T

M

M

R

R

D

D

Q

N

V

V

L

I

D

N

L

L

E

E

V

V

L

L

A

P

D

D

G

G

E

R

M

L

I

L

H

H

T

T

-

A

-

G

-

R

G

G

S

R

M

H

A

Y

A

R

K

K

S

S

S

A

G

G

Y

Y

H

N

L

L

N

T

G

G

L

L

F

F

V

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

C

I

F
x
I

T

T

E

S

L

T

T

T

L

L

K

R

V

L

Y

H

G

P

I

A

P

P

E

E

F

A

T

T

M

V

A

A

G

A

R

T

A

C

I

A

F

F

K

P

T

S

V

V

D

Q

D

A

A

A

V

V

G

D

A

S

V

T

V

V

G

Q

I

I

L

L

Q

Q

A

A

G

A

I

V

P

P

I

V

A

A

R

R

V

I

E

E

L

F

V

L

D

D

E

D

E

V

S

M

I

M

H

D

Q

A

V

C

N

N

L

R

F

H

S

S

E

K

T

L

S

N

Y

C

K

P

V

V

Q

A

P

P

T

T

L

L

F

F

L

L

E

E

F

F

H

H

G

G

N

S

E

Q

A

Q

G

T

L

L

Q

A

Q

E

D

Q

V

L

N

Q

F

R

M

T

K

E

D

A

I

I

V

T

A

Q

D

D

F

N

N

G

C

-

D

-

G

G

I

S

E

H

F

F

E

S

T

W

D

A

N

A

A

E

A

K

R

R

N

N

Q

E

L

L

W

W

E

A

A

A

R
|
R

H

H

N

N

L

A

A
x
W

Y
|
Y

A

A

F

A

V

L

H

A

G

L

N

S

P

P

G

G

K

S

K

K

L

A

M

Y

V

S

T

T

D

D

V

V

C

C

V

V

P

P

I

I

S

S

E

R

L

L

A

P

G

E

A

I

V

L

N

V

H

E

A

T

R

K

Q

E

G

E

L

I

Q

K

T

A

L

S

G

K

L

L

T

T

G

G

G

A

L

I

T

V

G

G

H
|
H

V

V

G

G

D

D

G

G

N

N

F

F

H

A

A

C

L

I

L

L

M

L

L

V

D

D

L

P

S

D

N

D

Q

A

E

E

I

Q

K

R

A

V

E

K

Q

A

F

F

N

A

E

E

W

N

I

L

V

G

M

R

Y

R

A

A

L

L

E

A

R

L

G

G

T

T

C

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

I

L

G

G

K

K

Q

R

K

Q

Y

L

Q

L

E

Q

K

E

E

E

H

V

G

G

K

P

-

V

A

G

L

V

L

E

V

T

M

M

E

R

K

Q

I

L

K

K

A

N

A

T

L

L

D

D

P

P

N

R

C

G

I

L

L

M

N
|
N

P

P

N

G

K

K

I

V

V

L

binding (2R)-2-hydroxyhexanoic acid: R319 (= R327), W323 (≠ A331), H415 (= H423)
binding flavin-adenine dinucleotide: P68 (= P77), G70 (= G79), T71 (≠ V80), G72 (= G81), T73 (≠ S82), G74 (≠ S83), G78 (≠ H87), V79 (≠ A88), L90 (≠ F99), P132 (= P141), G133 (= G142), A134 (= A143), G140 (= G149), M141 (= M150), A143 (= A152), T144 (= T153), A146 (= A155), S147 (= S156), E200 (= E206), G201 (= G207), I206 (≠ F212), Y324 (= Y332), H370 (= H378), E414 (= E422), N451 (= N458)

8jdnA Crystal structure of h405a mldhd in complex with d-2-hydroxyvaleric acid (see paper)
44% identity, 96% coverage: 13:463/468 of query aligns to 4:456/456 of 8jdnA

query
sites
8jdnA

N

D

L

F

V

V

S

E

A

A

L

L

K

K

A

A

F

V

L

V

R

G

E

S

E

P

Q

H

V

V

T

S

T

T

N

A

Q

S

T

A

I

V

L

R

E

E

L

Q

H

H

S

G

K

H

D

D

E

E

S

S

Y

M

H

H

T

R

P

C

S

Q

L

P

P

P

D

D

I

A

V

V

F

W

P

P

M

Q

T

N

A

V

D

D

E

Q

V

V

S

S

G

R

I

V

M

A

K

S

L

L

A

C

Q

Y

Q

N

Y

Q

Q

G

V

V

P

P

V

I

P
|
P

F

F

G
|
G

V
x
T

G
|
G

S
x
T

S
x
G

L

V

E

E

G

G

H
x
G

A
x
V

I

C

P

A

Y

V

E

Q

H

G

G

G

I

V

T

C

V

I

D

N

F
x
L

T

T

L

H

M

M

N

D

K

Q

V

I

L

T

E

E

V

L

R

N

E

T

E

E

D

D

F

F

L

S

V

V

K

V

V

V

Q

E

P

P

G

G

V

V

T

T

R

R

S

K

Q

A

L

L

N

N

K

T

E

H

L

L

K

R

K

D

Y

S

G

G

L

L

F

W

F

F

P

P

V

V

D

D

P
|
P

G
|
G

A
|
A

D

D

A

A

T

S

L

L

G

C

G
|
G

M
|
M

A

A

A
|
A

T
|
T

N

G

A
|
A

S
|
S

G

G

T

T

T

N

S

A

V

V

K

R

Y

Y

G

G

V

T

M

M

R

R

D

D

Q

N

V

V

L

I

D

N

L

L

E

E

V

V

L

L

A

P

D

D

G

G

E

R

M

L

I

L

H

H

T

T

-

A

-

G

-

R

G

G

S

R

M

H

A

Y

A

R

K

K

S

S

S

A

G

G

Y

Y

H

N

L

L

N

T

G

G

L

L

F

F

V

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

C

I

F
x
I

T

T

E

S

L

T

T

T

L

L

K

R

V

L

Y

H

G

P

I

A

P

P

E

E

F

A

T

T

M

V

A

A

G

A

R

T

A

C

I

A

F

F

K

P

T

S

V

V

D

Q

D

A

A

A

V

V

G

D

A

S

V

T

V

V

G

Q

I

I

L

L

Q

Q

A

A

G

A

I

V

P

P

I

V

A

A

R

R

V

I

E

E

L

F

V

L

D

D

E

D

E

V

S

M

I

M

H

D

Q

A

V

C

N

N

L

R

F

H

S

S

E

K

T

L

S

N

Y

C

K

P

V

V

Q

A

P

P

T

T

L

L

F

F

L

L

E

E

F

F

H

H

G

G

N

S

E

Q

A

Q

G

T

L

L

Q

A

Q

E

D

Q

V

L

N

Q

F

R

M

T

K

E

D

A

I

I

V

T

A

Q

D

D

F

N

N

G

C

-

D

-

G

G

I

S

E

H

F

F

E

S

T

W

D

A

N

A

A

E

A

K

R

R

N

N

Q

E

L

L

W

W

E

A

A

A

R
|
R

H

H

N

N

L

A

A
x
W

Y

Y

A

A

F

A

V

L

H

A

G

L

N

S

P

P

G

G

K

S

K

K

L

A

M

Y

V

S

T

T

D

D

V

V

C

C

V

V

P

P

I

I

S

S

E

R

L

L

A

P

G

E

A

I

V

L

N

V

H

E

A

T

R

K

Q

E

G

E

L

I

Q

K

T

A

L

S

G

K

L

L

T

T

G

G

G

A

L

I

T

V

G

G

H
|
H

V

V

G

G

D

D

G

G

N

N

F

F

H

A

A

C

L

I

L

L

M

L

L

V

D

D

L

P

S

D

N

D

Q

A

E

E

I

Q

K

R

A

V

E

K

Q

A

F

F

N

A

E

E

W

N

I

L

V

G

M

R

Y

R

A

A

L

L

E

A

R

L

G

G

T

T

C

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

I

L

G

G

K

K

Q

R

K

Q

Y

L

Q

L

E

Q

K

E

E

E

H

V

G

G

K

P

-

V

A

G

L

V

L

E

V

T

M

M

E

R

K

Q

I

L

K

K

A

N

A

T

L

L

D

D

P

P

N

R

C

G

I

L

L

M

N
|
N

P

P

N

G

K

K

I

V

V

L

binding flavin-adenine dinucleotide: P68 (= P77), G70 (= G79), T71 (≠ V80), G72 (= G81), T73 (≠ S82), G74 (≠ S83), G78 (≠ H87), V79 (≠ A88), L90 (≠ F99), P132 (= P141), G133 (= G142), A134 (= A143), G140 (= G149), M141 (= M150), A143 (= A152), T144 (= T153), A146 (= A155), S147 (= S156), E200 (= E206), G201 (= G207), I206 (≠ F212), H370 (= H378), E414 (= E422), N451 (= N458)
binding (2R)-2-oxidanylpentanoic acid: R319 (= R327), W323 (≠ A331), H415 (= H423)

8jdgA Crystal structure of h405a mldhd in complex with d-2-hydroxybutanoic acid (see paper)
44% identity, 96% coverage: 13:463/468 of query aligns to 4:456/456 of 8jdgA

query
sites
8jdgA

N

D

L

F

V

V

S

E

A

A

L

L

K

K

A

A

F

V

L

V

R

G

E

S

E

P

Q

H

V

V

T

S

T

T

N

A

Q

S

T

A

I

V

L

R

E

E

L

Q

H

H

S

G

K

H

D

D

E

E

S

S

Y

M

H

H

T

R

P

C

S

Q

L

P

P

P

D

D

I

A

V

V

F

W

P

P

M

Q

T

N

A

V

D

D

E

Q

V

V

S

S

G

R

I

V

M

A

K

S

L

L

A

C

Q

Y

Q

N

Y

Q

Q

G

V

V

P

P

V

I

P
|
P

F

F

G
|
G

V
x
T

G
|
G

S
x
T

S
x
G

L

V

E

E

G

G

H
x
G

A
x
V

I

C

P

A

Y

V

E

Q

H

G

G

G

I

V

T

C

V

I

D

N

F
x
L

T

T

L

H

M

M

N

D

K

Q

V

I

L
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