SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_008410271.1 NCBI__GCF_000315365.1:WP_008410271.1 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)

7qh2C Cryo-em structure of ldh-etfab complex from acetobacterium woodii (see paper)
39% identity, 99% coverage: 3:457/459 of query aligns to 7:463/467 of 7qh2C

query
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7qh2C

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binding flavin-adenine dinucleotide: V73 (≠ P70), G75 (= G72), S76 (≠ A73), G77 (= G74), T78 (= T75), G79 (≠ N76), L80 (= L77), A83 (≠ D80), C84 (≠ T81), P137 (= P134), G138 (= G135), E139 (≠ T136), A142 (= A140), T143 (= T141), G146 (= G144), N147 (≠ S145), S149 (= S147), T150 (≠ E148), A152 (≠ S150), G153 (= G151), E203 (= E201), G204 (= G202), I209 (= I207), E422 (= E416), H423 (= H417)
binding fe (iii) ion: H377 (= H372), H384 (= H379), E422 (= E416)

8jdsA Crystal structure of mldhd in complex with pyruvate (see paper)
33% identity, 98% coverage: 7:458/459 of query aligns to 6:456/456 of 8jdsA

query
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8jdsA

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binding flavin-adenine dinucleotide: E32 (≠ A33), P68 (= P70), G70 (= G72), T71 (≠ A73), G72 (= G74), T73 (= T75), G74 (≠ N76), G78 (≠ D80), V79 (≠ T81), L90 (≠ T92), P132 (= P134), G133 (= G135), A134 (= A138), G140 (= G144), M141 (≠ S145), A143 (≠ S147), T144 (≠ E148), A146 (≠ S150), S147 (≠ G151), E200 (= E201), G201 (= G202), I206 (= I207), W323 (≠ L327), E414 (= E416), H415 (= H417), N451 (= N453)
binding manganese (ii) ion: H370 (= H372), H377 (= H379), E414 (= E416)
binding pyruvic acid: R319 (= R323), H370 (= H372), H377 (= H379), H415 (= H417)

8jdvA Crystal structure of mldhd in complex with 2-ketohexanoic acid (see paper)
33% identity, 98% coverage: 7:458/459 of query aligns to 6:454/454 of 8jdvA

query
sites
8jdvA

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K

D

N

N

N

G

G

G

N

S

I

H

K

F

V

S

A

A

K

E

D

-

K

-

E

K

R

R

D

N

G

E

L

L

W

W

A

A

R
|
R

R

H

A

N

A

A

L
x
W

P
x
Y

A

A

L

A

A

L

Q

A

M

L

K

S

P

P

T

G

T

S

-

K

-

A

V

Y

L

S

E

T

D

D

A

V

T

C

V

V

P

P

R

I

S

S

R

R

L

L

T

P

E

E

M

I

L

L

V

V

A

E

L

T

Q

K

N

E

I

E

A

I

K

K

K

A

Y

S

N

K

L

L

M

T

I

G

G

A

T

I

F

V

G

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H
|
H

P

C

T

I

I

L

L

L

T

V

D

D

E

P

R

D

N

D

T

A

E

E

M

Q

K

R

R

R

V

V

H

K

Q

A

A

F

V

A

D

E

E

N

I

L

F

G

K

R

T

R

A

A

L

L

E

A

L

L

G

G

T

T

I

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

M

L

A

G

K

K

A

R

K

Q

Y

L

L

L

P

Q

L

E

E

E

F

V

G

G

E

P

Q

V

G

G

V

V

E

E

I

T

M

M

R

R

K

Q

V

L

K

K

R

N

A

T

L

L

D

D

P

P

D

R

N

G

L

L

L

M

N
|
N

P

P

G

G

K

K

M

V

M

L

binding 2-Ketohexanoic acid: V75 (≠ L77), R317 (= R323), W321 (≠ L327), H368 (= H372), H375 (= H379), H413 (= H417)
binding flavin-adenine dinucleotide: P68 (= P70), G70 (= G72), T71 (≠ A73), G72 (= G74), T73 (= T75), G74 (≠ N76), G78 (≠ D80), V79 (≠ T81), L90 (≠ T92), P132 (= P134), G133 (= G135), A134 (= A138), G140 (= G144), M141 (≠ S145), A143 (≠ S147), T144 (≠ E148), A146 (≠ S150), S147 (≠ G151), E200 (= E201), G201 (= G202), I206 (= I207), W321 (≠ L327), Y322 (≠ P328), E412 (= E416), H413 (= H417), N449 (= N453)
binding manganese (ii) ion: H368 (= H372), H375 (= H379), E412 (= E416)

8jdpA Crystal structure of h405a mldhd in complex with d-2-hydroxyisovaleric acid (see paper)
33% identity, 98% coverage: 7:458/459 of query aligns to 6:455/455 of 8jdpA

query
sites
8jdpA

I

V

E

E

A

A

L

L

V

K

K

A

A

V

I

V

G

G

K

S

E

P

N

H

V

V

I

S

T

T

E

A

H

S

E

A

E

V

L

R

V

E

C

Q

Y

H

S

G

F

H

D

D

A

E

T

S

A

M

D

H

V

R

P

-

S

C

Q

Q

M

P

P

P

D

D

V

A

V

V

T

W

P

P

R

Q

G

N

T

V

D

D

D

Q

V

V

V

S

Q

R

I

V

M

A

K

S

V

L

A

C

S

Y

Q

N

Y

Q

K

G

I

V

P

P

V

I

Y

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

T
|
T

N
x
G

L

V

C

E

G

G

D
x
G

T
x
V

I

C

P

A

L

V

K

Q

G

G

I

V

V

C

L

I

R

N

T
x
L

Q

T

K

H

M

M

N

D

K

Q

I

I

I

T

E

E

I

L

D

N

A

T

D

E

N

D

L

F

V

S

A

V

V

V

Q

E

P

P

G

G

V

V

V

T

I

R

N

K

D

A

L

L

N

N

T

T

A

H

V

L

A

R

P

D

F

S

G

G

L

L

I

W

Y

F

P

P

P

V

D

D

P
|
P

G
|
G

T

-

V

-

A
|
A

T

D

A

A

T

S

M

L

G

C

G
|
G

S
x
M

V

A

S
x
A

E
x
T

C

G

S
x
A

G
x
S

G

G

L

T

R

N

G

A

L

V

K

R

Y

Y

G

G

V

T

T

M

K

R

H

D

Y

N

V

V

M

I

G

N

L

L

E

E

V

V

M

L

V

P

D

D

G

G

T

R

V

L

A

L

R

H

F

T

G

A

G

G

K

R

-

G

-

R

-

H

T

Y

V

R

K

K

N

S

V

A

T

A

A

G

Y

Y

D

N

M

L

V

T

K

G

L

L

F

F

T

V

G

G

A

S

E
|
E

G
|
G

T

T

L

L

G

G

I

I

I
|
I

T

T

E

S

I

T

T

T

V

L

K

R

L

L

I

H

P

P

A

A

P

P

E

E

A

A

K

T

K

V

S

A

M

A

L

T

A

C

V

A

F

F

S

P

K

S

L

V

E

Q

D

A

A

A

G

V

N

D

T

S

V

T

T

V

E

Q

I

I

V

L

R

Q

S

A

K

A

V

V

I

P

P

V

A

A

T

R

M

I

E

E

I

F

M

L

D

D

Q

D

V

V

T

M

I

M

R

D

T

A

V

C

E

N

N

R

F

H

A

S

K

K

V

L

G

N

L

C

P

P

T

V

D

-

A

-

E

A

A

P

V

T

L

L

L

F

I

L

E

E

V

F

D

H

G

G

I

S

P

Q

E

Q

V

T

V

L

E

A

R

-

E

E

A

Q

A

L

T

Q

V

R

V

T

K

E

V

A

V

I

E

T

K

Q

N

D

N

N

G

G

N

G

I

S

K

H

V

F

A

S

K

W

D

A

K

E

E

K

R

R

D

N

G

E

L

L

W

W

A

A

R
|
R

R

H

A

N

A

A

L

W

P

Y

A

A

L

A

A

L

Q

A

M

L

K

S

P

P

T

S

T

K

V

A

L

Y

E

S

-

T

D

D

A

V

T

C

V

V

P

P

R

I

S

S

R

R

L

L

T

P

E

E

M

I

L

L

V

V

A

E

L

T

Q

K

N

E

I

E

A

I

K

K

K

A

Y

S

N

K

L

L

M

T

I

G

G

A

T

I

F

V

G

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H

A

P

C

T

I

I

L

L

L

T

V

D

D

E

P

R

D

N

D

T

A

E

E

M

Q

K

R

R

R

V

V

H

K

Q

A

A

F

V

A

D

E

E

N

I

L

F

G

K

R

T

R

A

A

L

L

E

A

L

L

G

G

T

T

I

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

M

L

A

G

K

K

A

R

K

Q

Y

L

L

L

P

Q

L

E

E

E

F

V

G

G

E

P

Q

V

G

G

V

V

E

E

I

T

M

M

R

R

K

Q

V

L

K

K

R

N

A

T

L

L

D

D

P

P

D

R

N

G

L

L

L

M

N
|
N

P

P

G

G

K

K

M

V

M

L

binding flavin-adenine dinucleotide: P68 (= P70), G70 (= G72), T71 (≠ A73), G72 (= G74), T73 (= T75), G74 (≠ N76), G78 (≠ D80), V79 (≠ T81), L90 (≠ T92), P132 (= P134), G133 (= G135), A134 (= A138), G140 (= G144), M141 (≠ S145), A143 (≠ S147), T144 (≠ E148), A146 (≠ S150), S147 (≠ G151), E200 (= E201), G201 (= G202), I206 (= I207), H369 (= H372), E413 (= E416), N450 (= N453)
binding deaminohydroxyvaline: R319 (= R323), H414 (= H417)

8jdtA Crystal structure of mldhd in complex with 2-ketobutanoic acid (see paper)
34% identity, 98% coverage: 7:458/459 of query aligns to 6:455/455 of 8jdtA

query
sites
8jdtA

I

V

E

E

A

A

L

L

V

K

K

A

A

V

I

V

G

G

K

S

E

P

N

H

V

V

I

S

T

T

E

A

H

S

E

A

E

V

L

R

V

E

C

Q

Y

H

S

G

F

H

D

D

A

E

T

S

A

M

D

H

V

R

P

-

S

C

Q

Q

M

P

P

P

D

D

V

A

V

V

T

W

P

P

R

Q

G

N

T

V

D

D

D

Q

V

V

V

S

Q

R

I

V

M

A

K

S

V

L

A

C

S

Y

Q

N

Y

Q

K

G

I

V

P

P

V

I

Y

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

T
|
T

N
x
G

L

V

C

E

G

G

D
x
G

T
x
V

I

C

P

A

L

V

K

Q

G

G

I

V

V

C

L

I

R

N

T
x
L

Q

T

K

H

M

M

N

D

K

Q

I

I

I

T

E

E

I

L

D

N

A

T

D

E

N

D

L

F

V

S

A

V

V

V

Q

E

P

P

G

G

V

V

V

T

I

R

N

K

D

A

L

L

N

N

T

T

A

H

V

L

A

R

P

D

F

S

G

G

L

L

I

W

Y

F

P

P

P

V

D

D

P
|
P

G
|
G

T

-

V

-

A
|
A

T

D

A

A

T

S

M

L

G

C

G
|
G

S
x
M

V

A

S
x
A

E
x
T

C

G

S
x
A

G
x
S

G

G

L

T

R

N

G

A

L

V

K

R

Y

Y

G

G

V

T

T

M

K

R

H

D

Y

N

V

V

M

I

G

N

L

L

E

E

V

V

M

L

V

P

D

D

G

G

T

R

V

L

A

L

R

H

F

T

G

A

G

G

K

R

-

G

-

R

-

H

T

Y

V

R

K

K

N

S

V

A

T

A

A

G

Y

Y

D

N

M

L

V

T

K

G

L

L

F

F

T

V

G

G

A

S

E
|
E

G
|
G

T

T

L

L

G

G

I

I

I
|
I

T

T

E

S

I

T

T

T

V

L

K

R

L

L

I

H

P

P

A

A

P

P

E

E

A

A

K

T

K

V

S

A

M

A

L

T

A

C

V

A

F

F

S

P

K

S

L

V

E

Q

D

A

A

A

G

V

N

D

T

S

V

T

T

V

E

Q

I

I

V

L

R

Q

S

A

K

A

V

V

I

P

P

V

A

A

T

R

M

I

E

E

I

F

M

L

D

D

Q

D

V

V

T

M

I

M

R

D

T

A

V

C

E

N

N

R

F

H

A

S

K

K

V

L

G

N

L

C

P

P

T

V

D

-

A

-

E

A

A

P

V

T

L

L

L

F

I

L

E

E

V

F

D

H

G

G

I

S

P

Q

E

Q

V

T

V

L

E

A

R

-

E

E

A

Q

A

L

T

Q

V

R

V

T

K

E

V

A

V

I

E

T

K

Q

N

D

N

N

G

G

N

G

I

S

K

H

V

F

A

S

K

W

D

A

D

E

K

K

E

-

R

R

D

N

G

E

L

L

W

W

A

A

R
|
R

R

H

A

N

A

A

L
x
W

P

Y

A

A

L

A

A

L

Q

A

M

L

K

S

P

P

T

G

T

S

-

K

-

A

V

Y

L

S

E

T

D

D

A

V

T

C

V

V

P

P

R

I

S

S

R

R

L

L

T

P

E

E

M

I

L

L

V

V

A

E

L

T

Q

K

N

E

I

E

A

I

K

K

K

A

Y

S

N

K

L

L

M

T

I

G

G

A

T

I

F

V

G

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H
|
H

P

C

T

I

I

L

L

L

T

V

D

D

E

P

R

D

N

D

T

A

E

E

M

Q

K

R

R

R

V

V

H

K

Q

A

A

F

V

A

D

E

E

N

I

L

F

G

K

R

T

R

A

A

L

L

E

A

L

L

G

G

T

T

I

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

M

L

A

G

K

K

A

R

K

Q

Y

L

L

L

P

Q

L

E

E

E

F

V

G

G

E

P

Q

V

G

G

V

V

E

E

I

T

M

M

R

R

K

Q

V

L

K

K

R

N

A

T

L

L

D

D

P

P

D

R

N

G

L

L

L

M

N
|
N

P

P

G

G

K

K

M

V

M

L

binding 2-ketobutyric acid: R318 (= R323), H369 (= H372), H376 (= H379), H414 (= H417)
binding flavin-adenine dinucleotide: P68 (= P70), G70 (= G72), T71 (≠ A73), G72 (= G74), T73 (= T75), G74 (≠ N76), G78 (≠ D80), V79 (≠ T81), L90 (≠ T92), P132 (= P134), G133 (= G135), A134 (= A138), G140 (= G144), M141 (≠ S145), A143 (≠ S147), T144 (≠ E148), A146 (≠ S150), S147 (≠ G151), E200 (= E201), G201 (= G202), I206 (= I207), W322 (≠ L327), E413 (= E416), H414 (= H417), N450 (= N453)
binding manganese (ii) ion: H369 (= H372), H376 (= H379), E413 (= E416)

8jduA Crystal structure of mldhd in complex with 2-ketovaleric acid (see paper)
33% identity, 98% coverage: 7:458/459 of query aligns to 6:455/455 of 8jduA

query
sites
8jduA

I

V

E

E

A

A

L

L

V

K

K

A

A

V

I

V

G

G

K

S

E

P

N

H

V

V

I

S

T

T

E

A

H

S

E

A

E

V

L

R

V

E

C

Q

Y

H

S

G

F

H

D

D

A

E

T

S

A

M

D

H

V

R

P

-

S

C

Q

Q

M

P

P

P

D

D

V

A

V

V

T

W

P

P

R

Q

G

N

T

V

D

D

D

Q

V

V

V

S

Q

R

I

V

M

A

K

S

V

L

A

C

S

Y

Q

N

Y

Q

K

G

I

V

P

P

V

I

Y

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

T
|
T

N
x
G

L

V

C

E

G

G

D
x
G

T
x
V

I

C

P

A

L

V

K

Q

G

G

I

V

V

C

L

I

R

N

T
x
L

Q

T

K

H

M

M

N

D

K

Q

I

I

I

T

E

E

I

L

D

N

A

T

D

E

N

D

L

F

V

S

A

V

V

V

Q

E

P

P

G

G

V

V

V

T

I

R

N

K

D

A

L

L

N

N

T

T

A

H

V

L

A

R

P

D

F

S

G

G

L

L

I

W

Y

F

P

P

P

V

D

D

P
|
P

G
|
G

T

-

V

-

A
|
A

T

D

A

A

T

S

M

L

G

C

G
|
G

S
x
M

V

A

S
x
A

E
x
T

C

G

S
x
A

G
x
S

G

G

L

T

R

N

G

A

L

V

K

R

Y

Y

G

G

V

T

T

M

K

R

H

D

Y

N

V

V

M

I

G

N

L

L

E

E

V

V

M

L

V

P

D

D

G

G

T

R

V

L

A

L

R

H

F

T

G

A

G

G

K

R

-

G

-

R

-

H

T

Y

V

R

K

K

N

S

V

A

T

A

A

G

Y

Y

D

N

M

L

V

T

K

G

L

L

F

F

T

V

G

G

A

S

E
|
E

G
|
G

T

T

L

L

G

G

I

I

I
|
I

T

T

E

S

I

T

T

T

V

L

K

R

L

L

I

H

P

P

A

A

P

P

E

E

A

A

K

T

K

V

S

A

M

A

L

T

A

C

V

A

F

F

S

P

K

S

L

V

E

Q

D

A

A

A

G

V

N

D

T

S

V

T

T

V

E

Q

I

I

V

L

R

Q

S

A

K

A

V

V

I

P

P

V

A

A

T

R

M

I

E

E

I

F

M

L

D

D

Q

D

V

V

T

M

I

M

R

D

T

A

V

C

E

N

N

R

F

H

A

S

K

K

V

L

G

N

L

C

P

P

T

V

D

-

A

-

E

A

A

P

V

T

L

L

L

F

I

L

E

E

V

F

D

H

G

G

I

S

P

Q

E

Q

V

T

V

L

E

A

R

E

E

Q

A

L

A

Q

T

R

V

T

V

E

K

A

V

I

V

T

E

Q

K

-

N

-

N

N

G

G

N

G

I

S

K

H

V

F

A

S

K

W

D

A

K

E

E

K

R

R

D

N

G

E

L

L

W

W

A

A

R
|
R

R

H

A

N

A

A

L
x
W

P

Y

A

A

L

A

A

L

Q

A

M

L

K

S

P

P

T

G

T

S

-

K

-

A

V

Y

L

S

E

T

D

D

A

V

T

C

V

V

P

P

R

I

S

S

R

R

L

L

T

P

E

E

M

I

L

L

V

V

A

E

L

T

Q

K

N

E

I

E

A

I

K

K

K

A

Y

S

N

K

L

L

M

T

I

G

G

A

T

I

F

V

G

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H
|
H

P

C

T

I

I

L

L

L

T

V

D

D

E

P

R

D

N

D

T

A

E

E

M

Q

K

R

R

R

V

V

H

K

Q

A

A

F

V

A

D

E

E

N

I

L

F

G

K

R

T

R

A

A

L

L

E

A

L

L

G

G

T

T

I

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

M

L

A

G

K

K

A

R

K

Q

Y

L

L

L

P

Q

L

E

E

E

F

V

G

G

E

P

Q

V

G

G

V

V

E

E

I

T

M

M

R

R

K

Q

V

L

K

K

R

N

A

T

L

L

D

D

P

P

D

R

N

G

L

L

L

M

N
|
N

P

P

G

G

K

K

M

V

M

L

binding 2-oxopentanoic acid: R318 (= R323), W322 (≠ L327), H369 (= H372), H376 (= H379), H414 (= H417)
binding flavin-adenine dinucleotide: P68 (= P70), G70 (= G72), T71 (≠ A73), G72 (= G74), T73 (= T75), G74 (≠ N76), G78 (≠ D80), V79 (≠ T81), L90 (≠ T92), P132 (= P134), G133 (= G135), A134 (= A138), G140 (= G144), M141 (≠ S145), A143 (≠ S147), T144 (≠ E148), A146 (≠ S150), S147 (≠ G151), E200 (= E201), G201 (= G202), I206 (= I207), W322 (≠ L327), E413 (= E416), N450 (= N453)
binding manganese (ii) ion: H369 (= H372), H376 (= H379), E413 (= E416)

8jdeA Crystal structure of mldhd in complex with d-lactate (see paper)
33% identity, 98% coverage: 7:458/459 of query aligns to 6:455/455 of 8jdeA

query
sites
8jdeA

I

V

E

E

A

A

L

L

V

K

K

A

A

V

I

V

G

G

K

S

E

P

N

H

V

V

I

S

T

T

E

A

H

S

E

A

E

V

L

R

V

E

C

Q

Y

H

S

G

F

H

D

D

A

E

T

S

A

M

D

H

V

R

P

-

S

C

Q

Q

M

P

P

P

D

D

V

A

V

V

T

W

P

P

R

Q

G

N

T

V

D

D

D

Q

V

V

V

S

Q

R

I

V

M

A

K

S

V

L

A

C

S

Y

Q

N

Y

Q

K

G

I

V

P

P

V

I

Y

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

T
|
T

N
x
G

L

V

C

E

G

G

D
x
G

T
x
V

I

C

P

A

L

V

K

Q

G

G

I

V

V

C

L

I

R

N

T
x
L

Q

T

K

H

M

M

N

D

K

Q

I

I

I

T

E

E

I

L

D

N

A

T

D

E

N

D

L

F

V

S

A

V

V

V

Q

E

P

P

G

G

V

V

V

T

I

R

N

K

D

A

L

L

N

N

T

T

A

H

V

L

A

R

P

D

F

S

G

G

L

L

I

W

Y

F

P

P

P

V

D

D

P
|
P

G
|
G

T

-

V

-

A
|
A

T

D

A

A

T

S

M

L

G

C

G
|
G

S
x
M

V

A

S
x
A

E
x
T

C

G

S
x
A

G
x
S

G

G

L

T

R

N

G

A

L

V

K

R

Y

Y

G

G

V

T

T

M

K

R

H

D

Y

N

V

V

M

I

G

N

L

L

E

E

V

V

M

L

V

P

D

D

G

G

T

R

V

L

A

L

R

H

F

T

G

A

G

G

K

R

-

G

-

R

-

H

T

Y

V

R

K

K

N

S

V

A

T

A

A

G

Y

Y

D

N

M

L

V

T

K

G

L

L

F

F

T

V

G

G

A

S

E
|
E

G
|
G

T

T

L

L

G

G

I

I

I
|
I

T

T

E

S

I

T

T

T

V

L

K

R

L

L

I

H

P

P

A

A

P

P

E

E

A

A

K

T

K

V

S

A

M

A

L

T

A

C

V

A

F

F

S

P

K

S

L

V

E

Q

D

A

A

A

G

V

N

D

T

S

V

T

T

V

E

Q

I

I

V

L

R

Q

S

A

K

A

V

V

I

P

P

V

A

A

T

R

M

I

E

E

I

F

M

L

D

D

Q

D

V

V

T

M

I

M

R

D

T

A

V

C

E

N

N

R

F

H

A

S

K

K

V

L

G

N

L

C

P

P

T

V

D

-

A

-

E

A

A

P

V

T

L

L

L

F

I

L

E

E

V

F

D

H

G

G

I

S

P

Q

E

Q

V

T

V

L

E

A

R

E

E

Q

A

L

A

Q

T

R

V

T

V

E

K

A

V

I

V

T

E

Q

K

D

N

N

N

G

G

G

N

S

I

H

K

F

V

S

A

W

K

A

D

-

K

A

E

E

R

K

D

N

G

E

L

L

W

W

A

A

R
|
R

R

H

A

N

A

A

L
x
W

P

Y

A

A

L

A

A

L

Q

A

M

L

K

S

P

P

T

G

T

S

-

K

-

A

V

Y

L

S

E

T

D

D

A

V

T

C

V

V

P

P

R

I

S

S

R

R

L

L

T

P

E

E

M

I

L

L

V

V

A

E

L

T

Q

K

N

E

I

E

A

I

K

K

K

A

Y

S

N

K

L

L

M

T

I

G

G

A

T

I

F

V

G

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H
|
H

P

C

T

I

I

L

L

L

T

V

D

D

E

P

R

D

N

D

T

A

E

E

M

Q

K

R

R

R

V

V

H

K

Q

A

A

F

V

A

D

E

E

N

I

L

F

G

K

R

T

R

A

A

L

L

E

A

L

L

G

G

T

T

I

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

M

L

A

G

K

K

A

R

K

Q

Y

L

L

L

P

Q

L

E

E

E

F

V

G

G

E

P

Q

V

G

G

V

V

E

E

I

T

M

M

R

R

K

Q

V

L

K

K

R

N

A

T

L

L

D

D

P

P

D

R

N

G

L

L

L

M

N
|
N

P

P

G

G

K

K

M

V

M

L

binding flavin-adenine dinucleotide: P68 (= P70), G70 (= G72), T71 (≠ A73), G72 (= G74), T73 (= T75), G74 (≠ N76), G78 (≠ D80), V79 (≠ T81), L90 (≠ T92), P132 (= P134), G133 (= G135), A134 (= A138), G140 (= G144), M141 (≠ S145), A143 (≠ S147), T144 (≠ E148), A146 (≠ S150), S147 (≠ G151), E200 (= E201), G201 (= G202), I206 (= I207), W322 (≠ L327), E413 (= E416), H414 (= H417), N450 (= N453)
binding lactic acid: R318 (= R323), H369 (= H372), H376 (= H379), H414 (= H417)
binding manganese (ii) ion: H369 (= H372), H376 (= H379), E413 (= E416)

8jdrA Crystal structure of h405a mldhd in complex with d-2-hydroxy-3-methyl- valeric acid (see paper)
33% identity, 98% coverage: 7:458/459 of query aligns to 6:456/456 of 8jdrA

query
sites
8jdrA

I

V

E

E

A

A

L

L

V

K

K

A

A

V

I

V

G

G

K

S

E

P

N

H

V

V

I

S

T

T

E

A

H

S

E

A

E

V

L

R

V

E

C

Q

Y

H

S

G

F

H

D

D

A

E

T

S

A

M

D

H

V

R

P

-

S

C

Q

Q

M

P

P

P

D

D

V

A

V

V

T

W

P

P

R

Q

G

N

T

V

D

D

D

Q

V

V

V

S

Q

R

I

V

M

A

K

S

V

L

A

C

S

Y

Q

N

Y

Q

K

G

I

V

P

P

V

I

Y

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

T
|
T

N
x
G

L

V

C

E

G

G

D
x
G

T
x
V

I

C

P

A

L

V

K

Q

G

G

I

V

V

C

L

I

R

N

T
x
L

Q

T

K

H

M

M

N

D

K

Q

I

I

I

T

E

E

I

L

D

N

A

T

D

E

N

D

L

F

V

S

A

V

V

V

Q

E

P

P

G

G

V

V

V

T

I

R

N

K

D

A

L

L

N

N

T

T

A

H

V

L

A

R

P

D

F

S

G

G

L

L

I

W

Y

F

P

P

P

V

D

D

P
|
P

G
|
G

T

-

V

-

A
|
A

T

D

A

A

T

S

M

L

G

C

G
|
G

S
x
M

V

A

S
x
A

E
x
T

C

G

S
x
A

G
x
S

G

G

L

T

R

N

G

A

L

V

K

R

Y

Y

G

G

V

T

T

M

K

R

H

D

Y

N

V

V

M

I

G

N

L

L

E

E

V

V

M

L

V

P

D

D

G

G

T

R

V

L

A

L

R

H

F

T

G

A

G

G

K

R

-

G

-

R

-

H

T

Y

V

R

K

K

N

S

V

A

T

A

A

G

Y

Y

D

N

M

L

V

T

K

G

L

L

F

F

T

V

G

G

A

S

E
|
E

G
|
G

T

T

L

L

G

G

I

I

I
|
I

T

T

E

S

I

T

T

T

V

L

K

R

L

L

I

H

P

P

A

A

P

P

E

E

A

A

K

T

K

V

S

A

M

A

L

T

A

C

V

A

F

F

S

P

K

S

L

V

E

Q

D

A

A

A

G

V

N

D

T

S

V

T

T

V

E

Q

I

I

V

L

R

Q

S

A

K

A

V

V

I

P

P

V

A

A

T

R

M

I

E

E

I

F

M

L

D

D

Q

D

V

V

T

M

I

M

R

D

T

A

V

C

E

N

N

R

F

H

A

S

K

K

V

L

G

N

L

C

P

P

T

V

D

-

A

-

E

A

A

P

V

T

L

L

L

F

I

L

E

E

V

F

D

H

G

G

I

S

P

Q

E

Q

V

T

V

L

E

A

R

-

E

E

A

Q

A

L

T

Q

V

R

V

T

K

E

V

A

V

I

E

T

K

Q

N

D

N

N

G

G

N

G

I

S

K

H

V

F

A

S

K

W

D

A

K

E

E

K

R

R

D

N

G

E

L

L

W

W

A

A

R
|
R

R

H

A

N

A

A

L
x
W

P
x
Y

A

A

L

A

A

L

Q

A

M

L

K

S

P

P

T

G

T

S

-

K

-

A

V

Y

L

S

E

T

D

D

A

V

T

C

V

V

P

P

R

I

S

S

R

R

L

L

T

P

E

E

M

I

L

L

V

V

A

E

L

T

Q

K

N

E

I

E

A

I

K

K

K

A

Y

S

N

K

L

L

M

T

I

G

G

A

T

I

F

V

G

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H

A

P

C

T

I

I

L

L

L

T

V

D

D

E

P

R

D

N

D

T

A

E

E

M

Q

K

R

R

R

V

V

H

K

Q

A

A

F

V

A

D

E

E

N

I

L

F

G

K

R

T

R

A

A

L

L

E

A

L

L

G

G

T

T

I

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

M

L

A

G

K

K

A

R

K

Q

Y

L

L

L

P

Q

L

E

E

E

F

V

G

G

E

P

Q

V

G

G

V

V

E

E

I

T

M

M

R

R

K

Q

V

L

K

K

R

N

A

T

L

L

D

D

P

P

D

R

N

G

L

L

L

M

N
|
N

P

P

G

G

K

K

M

V

M

L

binding flavin-adenine dinucleotide: P68 (= P70), G70 (= G72), T71 (≠ A73), G72 (= G74), T73 (= T75), G74 (≠ N76), G78 (≠ D80), V79 (≠ T81), L90 (≠ T92), P132 (= P134), G133 (= G135), A134 (= A138), G140 (= G144), M141 (≠ S145), A143 (≠ S147), T144 (≠ E148), A146 (≠ S150), S147 (≠ G151), E200 (= E201), G201 (= G202), I206 (= I207), Y324 (≠ P328), H370 (= H372), E414 (= E416), N451 (= N453)
binding (2R,3S)-3-methyl-2-oxidanyl-pentanoic acid: R319 (= R323), W323 (≠ L327), H415 (= H417)

8jdqA Crystal structure of h405a mldhd in complex with d-2-hydroxyisocaproic acid (see paper)
33% identity, 98% coverage: 7:458/459 of query aligns to 6:456/456 of 8jdqA

query
sites
8jdqA

I

V

E

E

A

A

L

L

V

K

K

A

A

V

I

V

G

G

K

S

E

P

N

H

V

V

I

S

T

T

E

A

H

S

E

A

E

V

L

R

V

E

C

Q

Y

H

S

G

F

H

D

D

A

E

T

S

A

M

D

H

V

R

P

-

S

C

Q

Q

M

P

P

P

D

D

V

A

V

V

T

W

P

P

R

Q

G

N

T

V

D

D

D

Q

V

V

V

S

Q

R

I

V

M

A

K

S

V

L

A

C

S

Y

Q

N

Y

Q

K

G

I

V

P

P

V

I

Y

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

T
|
T

N
x
G

L

V

C

E

G

G

D
x
G

T
x
V

I

C

P

A

L

V

K

Q

G

G

I

V

V

C

L

I

R

N

T
x
L

Q

T

K

H

M

M

N

D

K

Q

I

I

I

T

E

E

I

L

D

N

A

T

D

E

N

D

L

F

V

S

A

V

V

V

Q

E

P

P

G

G

V

V

V

T

I

R

N

K

D

A

L

L

N

N

T

T

A

H

V

L

A

R

P

D

F

S

G

G

L

L

I

W

Y

F

P

P

P

V

D

D

P
|
P

G
|
G

T

-

V

-

A
|
A

T

D

A

A

T

S

M

L

G

C

G
|
G

S
x
M

V

A

S
x
A

E
x
T

C

G

S
x
A

G
x
S

G

G

L

T

R

N

G

A

L

V

K

R

Y

Y

G

G

V

T

T

M

K

R

H

D

Y

N

V

V

M

I

G

N

L

L

E

E

V

V

M

L

V

P

D

D

G

G

T

R

V

L

A

L

R

H

F

T

G

A

G

G

K

R

-

G

-

R

-

H

T

Y

V

R

K

K

N

S

V

A

T

A

A

G

Y

Y

D

N

M

L

V

T

K

G

L

L

F

F

T

V

G

G

A

S

E
|
E

G
|
G

T

T

L

L

G

G

I

I

I
|
I

T

T

E

S

I

T

T

T

V

L

K

R

L

L

I

H

P

P

A

A

P

P

E

E

A

A

K

T

K

V

S

A

M

A

L

T

A

C

V

A

F

F

S

P

K

S

L

V

E

Q

D

A

A

A

G

V

N

D

T

S

V

T

T

V

E

Q

I

I

V

L

R

Q

S

A

K

A

V

V

I

P

P

V

A

A

T

R

M

I

E

E

I

F

M

L

D

D

Q

D

V

V

T

M

I

M

R

D

T

A

V

C

E

N

N

R

F

H

A

S

K

K

V

L

G

N

L

C

P

P

T

V

D

-

A

-

E

A

A

P

V

T

L

L

L

F

I

L

E

E

V

F

D

H

G

G

I

S

P

Q

E

Q

V

T

V

L

E

A

R

-

E

E

A

Q

A

L

T

Q

V

R

V

T

K

E

V

A

V

I

E

T

K

Q

N

D

N

N

G

G

N

G

I

S

K

H

V

F

A

S

K

W

D

A

K

E

E

K

R

R

D

N

G

E

L

L

W

W

A

A

R
|
R

R

H

A

N

A

A

L
x
W

P

Y

A

A

L

A

A

L

Q

A

M

L

K

S

P

P

T

G

T

S

-

K

-

A

V

Y

L

S

E

T

D

D

A

V

T

C

V

V

P

P

R

I

S

S

R

R

L

L

T

P

E

E

M

I

L

L

V

V

A

E

L

T

Q

K

N

E

I

E

A

I

K

K

K

A

Y

S

N

K

L

L

M

T

I

G

G

A

T

I

F

V

G

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H

A

P

C

T

I

I

L

L

L

T

V

D

D

E

P

R

D

N

D

T

A

E

E

M

Q

K

R

R

R

V

V

H

K

Q

A

A

F

V

A

D

E

E

N

I

L

F

G

K

R

T

R

A

A

L

L

E

A

L

L

G

G

T

T

I

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

M

L

A

G

K

K

A

R

K

Q

Y

L

L

L

P

Q

L

E

E

E

F

V

G

G

E

P

Q

V

G

G

V

V

E

E

I

T

M

M

R

R

K

Q

V

L

K

K

R

N

A

T

L

L

D

D

P

P

D

R

N

G

L

L

L

M

N
|
N

P

P

G

G

K

K

M

V

M

L

binding (2R)-2-hydroxy-4-methylpentanoic acid: R319 (= R323), W323 (≠ L327), H370 (= H372), H415 (= H417)
binding flavin-adenine dinucleotide: P68 (= P70), G70 (= G72), T71 (≠ A73), G72 (= G74), T73 (= T75), G74 (≠ N76), G78 (≠ D80), V79 (≠ T81), L90 (≠ T92), P132 (= P134), G133 (= G135), A134 (= A138), G140 (= G144), M141 (≠ S145), A143 (≠ S147), T144 (≠ E148), A146 (≠ S150), S147 (≠ G151), E200 (= E201), G201 (= G202), I206 (= I207), H370 (= H372), E414 (= E416), N451 (= N453)

8jdoA Crystal structure of h405a mldhd in complex with d-2-hydroxyhexanoic acid (see paper)
33% identity, 98% coverage: 7:458/459 of query aligns to 6:456/456 of 8jdoA

query
sites
8jdoA

I

V

E

E

A

A

L

L

V

K

K

A

A

V

I

V

G

G

K

S

E

P

N

H

V

V

I

S

T

T

E

A

H

S

E

A

E

V

L

R

V

E

C

Q

Y

H

S

G

F

H

D

D

A

E

T

S

A

M

D

H

V

R

P

-

S

C

Q

Q

M

P

P

P

D

D

V

A

V

V

T

W

P

P

R

Q

G

N

T

V

D

D

D

Q

V

V

V

S

Q

R

I

V

M

A

K

S

V

L

A

C

S

Y

Q

N

Y

Q

K

G

I

V

P

P

V

I

Y

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

T
|
T

N
x
G

L

V

C

E

G

G

D
x
G

T
x
V

I

C

P

A

L

V

K

Q

G

G

I

V

V

C

L

I

R

N