SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011280914.1 NCBI__GCF_000012305.1:WP_011280914.1 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)
29% identity, 92% coverage: 9:461/492 of query aligns to 7:462/467 of 7qh2C

query
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7qh2C

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binding flavin-adenine dinucleotide: V73 (≠ A75), G75 (= G77), S76 (≠ A78), G77 (= G79), T78 (= T80), G79 (= G81), L80 (= L82), A83 (≠ G85), C84 (≠ A86), P137 (= P139), G138 (≠ S140), E139 (≠ S141), A142 (= A144), T143 (≠ S146), G146 (= G149), N147 (= N150), S149 (≠ A152), T150 (≠ E153), A152 (≠ S155), G153 (= G156), E203 (= E205), G204 (= G206), I209 (= I211), E422 (= E421), H423 (= H422)
binding fe (iii) ion: H377 (= H377), H384 (= H384), E422 (= E421)

P9WIT1 Uncharacterized FAD-linked oxidoreductase Rv2280; EC 1.-.-.- from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
32% identity, 89% coverage: 22:460/492 of query aligns to 24:453/459 of P9WIT1

query
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P9WIT1

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K354 (≠ H356) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)

8jdsA Crystal structure of mldhd in complex with pyruvate (see paper)
29% identity, 85% coverage: 44:461/492 of query aligns to 37:454/456 of 8jdsA

query
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|
H

P

C

L

I

I

L

L

L

F

V

D

D

A

P

N

D

V

D

P

A

G

E

E

E

L

Q

E

R

R

R

T

V

E

K

E

A

F

F

G

A

S

E

R

N

I

L

L

G

E

R

L

R

C

A

V

L

K

A

V

L

G

G

C

T

I

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

V

L

E

G

K

K

I

R

R

Q

Q

L

M

L

T

Q

I

E

Q

E

F

V

N

G

D

P

Q

V

E

G

L

V

T

E

Q

T

F

M

H

R

A

Q

I

L

K

K

H

N

A

T

F

L

D

D

P

P

I

R

G

G

T

L

L

M

N
|
N

P

P

G

G

K

K

binding flavin-adenine dinucleotide: P68 (≠ A75), G70 (= G77), T71 (≠ A78), G72 (= G79), T73 (= T80), G74 (= G81), G78 (= G85), V79 (≠ A86), L90 (= L97), P132 (= P139), G133 (≠ S140), A134 (≠ S141), G140 (= G149), M141 (≠ N150), A143 (= A152), T144 (≠ E153), A146 (≠ S155), S147 (≠ G156), E200 (= E205), G201 (= G206), I206 (= I211), W323 (≠ F332), E414 (= E421), H415 (= H422), N451 (= N458)
binding manganese (ii) ion: H370 (= H377), H377 (= H384), E414 (= E421)
binding pyruvic acid: R319 (= R328), H370 (= H377), H377 (= H384), H415 (= H422)

Sites not aligning to the query:

binding flavin-adenine dinucleotide: 32

8jduA Crystal structure of mldhd in complex with 2-ketovaleric acid (see paper)
29% identity, 85% coverage: 44:461/492 of query aligns to 37:453/455 of 8jduA

query
sites
8jduA

C

C

D

Q

M

P

P

P

L

D

I

A

T

V

V

V

L

W

P

P

K

Q

T

N

V

V

E

D

Q

Q

V

V

C

S

E

R

V

V

M

A

R

S

I

L

C

C

Y

Y

R

N

Y

Q

Q

G

I

V

P

P

V

I

A
x
P

R

F

G
|
G

A
x
T

G
|
G

T
|
T

G
|
G

L

V

C

E

A

G

G
|
G

A
x
V

M

C

P

A

N

V

P

Q

D

G

G

G

V

V

L

C

L

I

V

N

L
|
L

S

T

R

H

F

M

K

D

H

Q

I

I

L

T

D

E

I

L

D

N

P

T

L

E

A

D

R

F

S

S

A

V

R

V

L

V

Q

E

P

P

G

G

V

V

R

T

N

R

L

K

A

A

I

L

S

N

E

T

A

H

A

L

S

R

P

D

Y

S

G

G

L

L

Y

W

Y

F

G

P

P

V

D

D

P
|
P

S
x
G

S
x
A

Q

D

I

-

A

-

C

A

S

S

I

L

G

C

G
|
G

N
x
M

V

A

A
|
A

E
x
T

N

G

S
x
A

G
x
S

G

G

V

T

H

N

C

A

L

V

K

R

Y

Y

G

G

L

T

T

M

T

R

H

D

N

N

L

V

L

I

K

N

I

L

E

E

M

V

V

V

T

L

V

P

E

D

G

G

E

R

L

L

I

L

T

H

I

T

G

A

S

G

E

R

G

G

L

R

-

H

-

Y

-

R

-

K

D

S

S

A

N

A

G

G

F

Y

D

N

L

L

M

T

A

G

L

L

I

F

T

V

G

G

S

S

E
|
E

G
|
G

L

T

L

L

G

G

V

I

I
|
I

T

T

E

S

V

T

T

T

V

L

K

R

L

L

L

H

P

P

S

A

P

P

E

E

K

A

A

T

Q

V

V

A

I

A

M

T

A

C

G

A

F

F

D

P

N

S

V

V

Q

Q

T

A

A

A

G

V

D

D

A

S

V

T

G

V

G

Q

V

I

I

L

A

Q

K

A

G

A

I

V

I

P

P

V

A

A

G

R

L

I

E

E

M

F

M

L

D

D

S

D

P

V

A

M

I

M

I

D

A

A

A

C

E

N

A

R

F

H

A

S

H

K

A

L

G

N

Y

C

P

P

T

V

D

-

A

-

Q

A

A

P

L

T

L

L

L

F

C

L

E

E

L

F

D

H

G

G

S

S

E

Q

A

Q

E

T

V

L

Q

A

E

E

Q

Q

I

L

A

Q

E

R

V

T

E

E

Q

A

L

I

F

T

I

Q

E

N

L

G

G

G

A

-

T

-

T

S

R

H

V

F

S

S

Q

W

S

A

E

A

A

E

E

K

R

R

A

N

L

E

L

L

W

W

K

A

G

A

R
|
R

K

H

S

N

A

A

F
x
W

P

Y

A

A

V

A

G

L

R

A

I

L

S

S

P

P

-

G

-

S

D

K

Y

A

Y

Y

C

S

M

T

D

D

G

V

T

C

I

V

P

P

R

I

S

S

Q

R

L

L

A

P

H

E

V

I

L

L

T

V

E

E

M

T

Q

K

K

E

L

E

S

I

E

K

Q

A

Y

S

G

K

L

L

R

T

V

G

A

A

N

I

V

V

F

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H
|
H

P

C

L

I

I

L

L

L

F

V

D

D

A

P

N

D

V

D

P

A

G

E

E

E

L

Q

E

R

R

R

T

V

E

K

E

A

F

F

G

A

S

E

R

N

I

L

L

G

E

R

L

R

C

A

V

L

K

A

V

L

G

G

C

T

I

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

V

L

E

G

K

K

I

R

R

Q

Q

L

M

L

T

Q

I

E

Q

E

F

V

N

G

D

P

Q

V

E

G

L

V

T

E

Q

T

F

M

H

R

A

Q

I

L

K

K

H

N

A

T

F

L

D

D

P

P

I

R

G

G

T

L

L

M

N
|
N

P

P

G

G

K

K

binding 2-oxopentanoic acid: R318 (= R328), W322 (≠ F332), H369 (= H377), H376 (= H384), H414 (= H422)
binding flavin-adenine dinucleotide: P68 (≠ A75), G70 (= G77), T71 (≠ A78), G72 (= G79), T73 (= T80), G74 (= G81), G78 (= G85), V79 (≠ A86), L90 (= L97), P132 (= P139), G133 (≠ S140), A134 (≠ S141), G140 (= G149), M141 (≠ N150), A143 (= A152), T144 (≠ E153), A146 (≠ S155), S147 (≠ G156), E200 (= E205), G201 (= G206), I206 (= I211), W322 (≠ F332), E413 (= E421), N450 (= N458)
binding manganese (ii) ion: H369 (= H377), H376 (= H384), E413 (= E421)

8jdeA Crystal structure of mldhd in complex with d-lactate (see paper)
29% identity, 85% coverage: 44:461/492 of query aligns to 37:453/455 of 8jdeA

query
sites
8jdeA

C

C

D

Q

M

P

P

P

L

D

I

A

T

V

V

V

L

W

P

P

K

Q

T

N

V

V

E

D

Q

Q

V

V

C

S

E

R

V

V

M

A

R

S

I

L

C

C

Y

Y

R

N

Y

Q

Q

G

I

V

P

P

V

I

A
x
P

R

F

G
|
G

A
x
T

G
|
G

T
|
T

G
|
G

L

V

C

E

A

G

G
|
G

A
x
V

M

C

P

A

N

V

P

Q

D

G

G

G

V

V

L

C

L

I

V

N

L
|
L

S

T

R

H

F

M

K

D

H

Q

I

I

L

T

D

E

I

L

D

N

P

T

L

E

A

D

R

F

S

S

A

V

R

V

L

V

Q

E

P

P

G

G

V

V

R

T

N

R

L

K

A

A

I

L

S

N

E

T

A

H

A

L

S

R

P

D

Y

S

G

G

L

L

Y

W

Y

F

G

P

P

V

D

D

P
|
P

S
x
G

S
x
A

Q

D

I

-

A

-

C

A

S

S

I

L

G

C

G
|
G

N
x
M

V

A

A
|
A

E
x
T

N

G

S
x
A

G
x
S

G

G

V

T

H

N

C

A

L

V

K

R

Y

Y

G

G

L

T

T

M

T

R

H

D

N

N

L

V

L

I

K

N

I

L

E

E

M

V

V

V

T

L

V

P

E

D

G

G

E

R

L

L

I

L

T

H

I

T

G

A

S

G

E

R

G

G

L

R

-

H

-

Y

-

R

-

K

D

S

S

A

N

A

G

G

F

Y

D

N

L

L

M

T

A

G

L

L

I

F

T

V

G

G

S

S

E
|
E

G
|
G

L

T

L

L

G

G

V

I

I
|
I

T

T

E

S

V

T

T

T

V

L

K

R

L

L

L

H

P

P

S

A

P

P

E

E

K

A

A

T

Q

V

V

A

I

A

M

T

A

C

G

A

F

F

D

P

N

S

V

V

Q

Q

T

A

A

A

G

V

D

D

A

S

V

T

G

V

G

Q

V

I

I

L

A

Q

K

A

G

A

I

V

I

P

P

V

A

A

G

R

L

I

E

E

M

F

M

L

D

D

S

D

P

V

A

M

I

M

I

D

A

A

A

C

E

N

A

R

F

H

A

S

H

K

A

L

G

N

Y

C

P

P

T

V

D

-

A

-

Q

A

A

P

L

T

L

L

L

F

C

L

E

E

L

F

D

H

G

G

S

S

E

Q

A

Q

E

T

V

L

Q

A

E

E

Q

Q

I

L

A

Q

E

R

V

T

E

E

Q

A

L

I

F

T

I

Q

E

D

L

N

G

G

A

G

T

S

T

H

T

F

R

S

V

W

S

A

Q

-

S

-

E

-

A

A

E

E

R

K

A

N

L

E

L

L

W

W

K

A

G

A

R
|
R

K

H

S

N

A

A

F
x
W

P

Y

A

A

V

A

G

L

R

A

I

L

S

S

P

P

-

G

-

S

D

K

Y

A

Y

Y

C

S

M

T

D

D

G

V

T

C

I

V

P

P

R

I

S

S

Q

R

L

L

A

P

H

E

V

I

L

L

T

V

E

E

M

T

Q

K

K

E

L

E

S

I

E

K

Q

A

Y

S

G

K

L

L

R

T

V

G

A

A

N

I

V

V

F

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H
|
H

P

C

L

I

I

L

L

L

F

V

D

D

A

P

N

D

V

D

P

A

G

E

E

E

L

Q

E

R

R

R

T

V

E

K

E

A

F

F

G

A

S

E

R

N

I

L

L

G

E

R

L

R

C

A

V

L

K

A

V

L

G

G

C

T

I

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

V

L

E

G

K

K

I

R

R

Q

Q

L

M

L

T

Q

I

E

Q

E

F

V

N

G

D

P

Q

V

E

G

L

V

T

E

Q

T

F

M

H

R

A

Q

I

L

K

K

H

N

A

T

F

L

D

D

P

P

I

R

G

G

T

L

L

M

N
|
N

P

P

G

G

K

K

binding flavin-adenine dinucleotide: P68 (≠ A75), G70 (= G77), T71 (≠ A78), G72 (= G79), T73 (= T80), G74 (= G81), G78 (= G85), V79 (≠ A86), L90 (= L97), P132 (= P139), G133 (≠ S140), A134 (≠ S141), G140 (= G149), M141 (≠ N150), A143 (= A152), T144 (≠ E153), A146 (≠ S155), S147 (≠ G156), E200 (= E205), G201 (= G206), I206 (= I211), W322 (≠ F332), E413 (= E421), H414 (= H422), N450 (= N458)
binding lactic acid: R318 (= R328), H369 (= H377), H376 (= H384), H414 (= H422)
binding manganese (ii) ion: H369 (= H377), H376 (= H384), E413 (= E421)

8jdtA Crystal structure of mldhd in complex with 2-ketobutanoic acid (see paper)
29% identity, 85% coverage: 44:461/492 of query aligns to 37:453/455 of 8jdtA

query
sites
8jdtA

C

C

D

Q

M

P

P

P

L

D

I

A

T

V

V

V

L

W

P

P

K

Q

T

N

V

V

E

D

Q

Q

V

V

C

S

E

R

V

V

M

A

R

S

I

L

C

C

Y

Y

R

N

Y

Q

Q

G

I

V

P

P

V

I

A
x
P

R

F

G
|
G

A
x
T

G
|
G

T
|
T

G
|
G

L

V

C

E

A

G

G
|
G

A
x
V

M

C

P

A

N

V

P

Q

D

G

G

G

V

V

L

C

L

I

V

N

L
|
L

S

T

R

H

F

M

K

D

H

Q

I

I

L

T

D

E

I

L

D

N

P

T

L

E

A

D

R

F

S

S

A

V

R

V

L

V

Q

E

P

P

G

G

V

V

R

T

N

R

L

K

A

A

I

L

S

N

E

T

A

H

A

L

S

R

P

D

Y

S

G

G

L

L

Y

W

Y

F

G

P

P

V

D

D

P
|
P

S
x
G

S
x
A

Q

D

I

-

A

-

C

A

S

S

I

L

G

C

G
|
G

N
x
M

V

A

A
|
A

E
x
T

N

G

S
x
A

G
x
S

G

G

V

T

H

N

C

A

L

V

K

R

Y

Y

G

G

L

T

T

M

T

R

H

D

N

N

L

V

L

I

K

N

I

L

E

E

M

V

V

V

T

L

V

P

E

D

G

G

E

R

L

L

I

L

T

H

I

T

G

A

S

G

E

R

G

G

L

R

-

H

-

Y

-

R

-

K

D

S

S

A

N

A

G

G

F

Y

D

N

L

L

M

T

A

G

L

L

I

F

T

V

G

G

S

S

E
|
E

G
|
G

L

T

L

L

G

G

V

I

I
|
I

T

T

E

S

V

T

T

T

V

L

K

R

L

L

L

H

P

P

S

A

P

P

E

E

K

A

A

T

Q

V

V

A

I

A

M

T

A

C

G

A

F

F

D

P

N

S

V

V

Q

Q

T

A

A

A

G

V

D

D

A

S

V

T

G

V

G

Q

V

I

I

L

A

Q

K

A

G

A

I

V

I

P

P

V

A

A

G

R

L

I

E

E

M

F

M

L

D

D

S

D

P

V

A

M

I

M

I

D

A

A

A

C

E

N

A

R

F

H

A

S

H

K

A

L

G

N

Y

C

P

P

T

V

D

-

A

-

Q

A

A

P

L

T

L

L

L

F

C

L

E

E

L

F

D

H

G

G

S

S

E

Q

A

Q

E

T

V

L

Q

A

E

E

Q

Q

I

L

A

Q

E

R

V

T

E

E

Q

A

L

I

F

T

I

Q

E

D

L

N

G

G

A

G

T

S

T

-

R

H

V

F

S

S

Q

W

S

A

E

E

A

-

E

K

R

R

A

N

L

E

L

L

W

W

K

A

G

A

R
|
R

K

H

S

N

A

A

F
x
W

P

Y

A

A

V

A

G

L

R

A

I

L

S

S

P

P

-

G

-

S

D

K

Y

A

Y

Y

C

S

M

T

D

D

G

V

T

C

I

V

P

P

R

I

S

S

Q

R

L

L

A

P

H

E

V

I

L

L

T

V

E

E

M

T

Q

K

K

E

L

E

S

I

E

K

Q

A

Y

S

G

K

L

L

R

T

V

G

A

A

N

I

V

V

F

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H
|
H

P

C

L

I

I

L

L

L

F

V

D

D

A

P

N

D

V

D

P

A

G

E

E

E

L

Q

E

R

R

R

T

V

E

K

E

A

F

F

G

A

S

E

R

N

I

L

L

G

E

R

L

R

C

A

V

L

K

A

V

L

G

G

C

T

I

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

V

L

E

G

K

K

I

R

R

Q

Q

L

M

L

T

Q

I

E

Q

E

F

V

N

G

D

P

Q

V

E

G

L

V

T

E

Q

T

F

M

H

R

A

Q

I

L

K

K

H

N

A

T

F

L

D

D

P

P

I

R

G

G

T

L

L

M

N
|
N

P

P

G

G

K

K

binding 2-ketobutyric acid: R318 (= R328), H369 (= H377), H376 (= H384), H414 (= H422)
binding flavin-adenine dinucleotide: P68 (≠ A75), G70 (= G77), T71 (≠ A78), G72 (= G79), T73 (= T80), G74 (= G81), G78 (= G85), V79 (≠ A86), L90 (= L97), P132 (= P139), G133 (≠ S140), A134 (≠ S141), G140 (= G149), M141 (≠ N150), A143 (= A152), T144 (≠ E153), A146 (≠ S155), S147 (≠ G156), E200 (= E205), G201 (= G206), I206 (= I211), W322 (≠ F332), E413 (= E421), H414 (= H422), N450 (= N458)
binding manganese (ii) ion: H369 (= H377), H376 (= H384), E413 (= E421)

8jdvA Crystal structure of mldhd in complex with 2-ketohexanoic acid (see paper)
29% identity, 85% coverage: 44:461/492 of query aligns to 37:452/454 of 8jdvA

query
sites
8jdvA

C

C

D

Q

M

P

P

P

L

D

I

A

T

V

V

V

L

W

P

P

K

Q

T

N

V

V

E

D

Q

Q

V

V

C

S

E

R

V

V

M

A

R

S

I

L

C

C

Y

Y

R

N

Y

Q

Q

G

I

V

P

P

V

I

A
x
P

R

F

G
|
G

A
x
T

G
|
G

T
|
T

G
|
G

L
x
V

C

E

A

G

G
|
G

A
x
V

M

C

P

A

N

V

P

Q

D

G

G

G

V

V

L

C

L

I

V

N

L
|
L

S

T

R

H

F

M

K

D

H

Q

I

I

L

T

D

E

I

L

D

N

P

T

L

E

A

D

R

F

S

S

A

V

R

V

L

V

Q

E

P

P

G

G

V

V

R

T

N

R

L

K

A

A

I

L

S

N

E

T

A

H

A

L

S

R

P

D

Y

S

G

G

L

L

Y

W

Y

F

G

P

P

V

D

D

P
|
P

S
x
G

S
x
A

Q

D

I

-

A

-

C

A

S

S

I

L

G

C

G
|
G

N
x
M

V

A

A
|
A

E
x
T

N

G

S
x
A

G
x
S

G

G

V

T

H

N

C

A

L

V

K

R

Y

Y

G

G

L

T

T

M

T

R

H

D

N

N

L

V

L

I

K

N

I

L

E

E

M

V

V

V

T

L

V

P

E

D

G

G

E

R

L

L

I

L

T

H

I

T

G

A

S

G

E

R

G

G

L

R

-

H

-

Y

-

R

-

K

D

S

S

A

N

A

G

G

F

Y

D

N

L

L

M

T

A

G

L

L

I

F

T

V

G

G

S

S

E
|
E

G
|
G

L

T

L

L

G

G

V

I

I
|
I

T

T

E

S

V

T

T

T

V

L

K

R

L

L

L

H

P

P

S

A

P

P

E

E

K

A

A

T

Q

V

V

A

I

A

M

T

A

C

G

A

F

F

D

P

N

S

V

V

Q

Q

T

A

A

A

G

V

D

D

A

S

V

T

G

V

G

Q

V

I

I

L

A

Q

K

A

G

A

I

V

I

P

P

V

A

A

G

R

L

I

E

E

M

F

M

L

D

D

S

D

P

V

A

M

I

M

I

D

A

A

A

C

E

N

A

R

F

H

A

S

H

K

A

L

G

N

Y

C

P

P

T

V

D

-

A

-

Q

A

A

P

L

T

L

L

L

F

C

L

E

E

L

F

D

H

G

G

S

S

E

Q

A

Q

E

T

V

L

Q

A

E

E

Q

Q

I

L

A

Q

E

R

V

T

E

E

Q

A

L

I

F

T

I

Q

E

D

L

N

G

G

A

G

T

S

T

H

T

F

R

-

V

-

S

-

Q

-

S

S

E

A

A

E

E

K

R

R

A

N

L

E

L

L

W

W

K

A

G

A

R
|
R

K

H

S

N

A

A

F
x
W

P
x
Y

A

A

V

A

G

L

R

A

I

L

S

S

P

P

-

G

-

S

D

K

Y

A

Y

Y

C

S

M

T

D

D

G

V

T

C

I

V

P

P

R

I

S

S

Q

R

L

L

A

P

H

E

V

I

L

L

T

V

E

E

M

T

Q

K

K

E

L

E

S

I

E

K

Q

A

Y

S

G

K

L

L

R

T

V

G

A

A

N

I

V

V

F

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H
|
H

P

C

L

I

I

L

L

L

F

V

D

D

A

P

N

D

V

D

P

A

G

E

E

E

L

Q

E

R

R

R

T

V

E

K

E

A

F

F

G

A

S

E

R

N

I

L

L

G

E

R

L

R

C

A

V

L

K

A

V

L

G

G

C

T

I

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

V

L

E

G

K

K

I

R

R

Q

Q

L

M

L

T

Q

I

E

Q

E

F

V

N

G

D

P

Q

V

E

G

L

V

T

E

Q

T

F

M

H

R

A

Q

I

L

K

K

H

N

A

T

F

L

D

D

P

P

I

R

G

G

T

L

L

M

N
|
N

P

P

G

G

K

K

binding 2-Ketohexanoic acid: V75 (≠ L82), R317 (= R328), W321 (≠ F332), H368 (= H377), H375 (= H384), H413 (= H422)
binding flavin-adenine dinucleotide: P68 (≠ A75), G70 (= G77), T71 (≠ A78), G72 (= G79), T73 (= T80), G74 (= G81), G78 (= G85), V79 (≠ A86), L90 (= L97), P132 (= P139), G133 (≠ S140), A134 (≠ S141), G140 (= G149), M141 (≠ N150), A143 (= A152), T144 (≠ E153), A146 (≠ S155), S147 (≠ G156), E200 (= E205), G201 (= G206), I206 (= I211), W321 (≠ F332), Y322 (≠ P333), E412 (= E421), H413 (= H422), N449 (= N458)
binding manganese (ii) ion: H368 (= H377), H375 (= H384), E412 (= E421)

8jdxA Crystal structure of mldhd in complex with 2-ketoisovaleric acid (see paper)
29% identity, 85% coverage: 44:461/492 of query aligns to 37:453/455 of 8jdxA

query
sites
8jdxA

C

C

D

Q

M

P

P

P

L

D

I

A

T

V

V

V

L

W

P

P

K

Q

T

N

V

V

E

D

Q

Q

V

V

C

S

E

R

V

V

M

A

R

S

I

L

C

C

Y

Y

R

N

Y

Q

Q

G

I

V

P

P

V

I

A
x
P

R

F

G
|
G

A
x
T

G
|
G

T
|
T

G
|
G

L

V

C

E

A

G

G
|
G

A
x
V

M

C

P

A

N

V

P

Q

D

G

G

G

V

V

L

C

L

I

V

N

L
|
L

S

T

R

H

F

M

K

D

H

Q

I

I

L

T

D

E

I

L

D

N

P

T

L

E

A

D

R

F

S

S

A

V

R

V

L

V

Q

E

P

P

G

G

V

V

R

T

N

R

L

K

A

A

I

L

S

N

E

T

A

H

A

L

S

R

P

D

Y

S

G

G

L

L

Y

W

Y

F

G

P

P

V

D

D

P
|
P

S
x
G

S
x
A

Q

D

I

-

A

-

C

A

S

S

I

L

G

C

G
|
G

N
x
M

V

A

A
|
A

E
x
T

N

G

S
x
A

G
x
S

G

G

V

T

H

N

C

A

L

V

K

R

Y

Y

G

G

L

T

T

M

T

R

H

D

N

N

L

V

L

I

K

N

I

L

E

E

M

V

V

V

T

L

V

P

E

D

G

G

E

R

L

L

I

L

T

H

I

T

G

A

S

G

E

R

G

G

L

R

-

H

-

Y

-

R

-

K

D

S

S

A

N

A

G

G

F

Y

D

N

L

L

M

T

A

G

L

L

I

F

T

V

G

G

S

S

E
|
E

G
|
G

L

T

L

L

G

G

V

I

I
|
I

T

T

E

S

V

T

T

T

V

L

K

R

L

L

L

H

P

P

S

A

P

P

E

E

K

A

A

T

Q

V

V

A

I

A

M

T

A

C

G

A

F

F

D

P

N

S

V

V

Q

Q

T

A

A

A

G

V

D

D

A

S

V

T

G

V

G

Q

V

I

I

L

A

Q

K

A

G

A

I

V

I

P

P

V

A

A

G

R

L

I

E

E

M

F

M

L

D

D

S

D

P

-

A

-

I

-

I

V

A

M

E

D

A

A

F

C

A

N

H

R

A

H

G

S

Y

L

P

N

T

C

D

P

A

V

Q

A

A

P

L

T

L

L

L

F

C

L

E

E

L

F

D

H

G

G

S

S

E

Q

A

Q

E

T

V

L

Q

A

E

E

Q

Q

I

L

A

Q

E

R

V

T

E

E

Q

A

L

I

F

T

I

Q

E

D

L

N

G

G

A

G

T

S

T

-

R

H

V

F

S

S

Q

W

S

A

E

A

A

E

E

K

R

R

A

N

L

E

L

L

W

W

K

A

G

A

R
|
R

K

H

S

N

A

A

F
x
W

P

Y

A

A

V

A

G

L

R

A

I

L

S

S

P

P

-

G

-

S

D

K

Y

A

Y

Y

C

S

M

T

D

D

G

V

T

C

I

V

P

P

R

I

S

S

Q

R

L

L

A

P

H

E

V

I

L

L

T

V

E

E

M

T

Q

K

K

E

L

E

S

I

E

K

Q

A

Y

S

G

K

L

L

R

T

V

G

A

A

N

I

V

V

F

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H
|
H

P

C

L

I

I

L

L

L

F

V

D

D

A

P

N

D

V

D

P

A

G

E

E

E

L

Q

E

R

R

R

T

V

E

K

E

A

F

F

G

A

S

E

R

N

I

L

L

G

E

R

L

R

C

A

V

L

K

A

V

L

G

G

C

T

I

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

V

L

E

G

K

K

I

R

R

Q

Q

L

M

L

T

Q

I

E

Q

E

F

V

N

G

D

P

Q

V

E

G

L

V

T

E

Q

T

F

M

H

R

A

Q

I

L

K

K

H

N

A

T

F

L

D

D

P

P

I

R

G

G

T

L

L

M

N
|
N

P

P

G

G

K

K

binding flavin-adenine dinucleotide: P68 (≠ A75), G70 (= G77), T71 (≠ A78), G72 (= G79), T73 (= T80), G74 (= G81), G78 (= G85), V79 (≠ A86), L90 (= L97), P132 (= P139), G133 (≠ S140), A134 (≠ S141), G140 (= G149), M141 (≠ N150), A143 (= A152), T144 (≠ E153), A146 (≠ S155), S147 (≠ G156), E200 (= E205), G201 (= G206), I206 (= I211), W322 (≠ F332), E413 (= E421), H414 (= H422), N450 (= N458)
binding 3-methyl-2-oxobutanoic acid: R318 (= R328), H369 (= H377), H376 (= H384), H414 (= H422)
binding manganese (ii) ion: H369 (= H377), H376 (= H384), E413 (= E421)

Sites not aligning to the query:

binding flavin-adenine dinucleotide: 32

8jdpA Crystal structure of h405a mldhd in complex with d-2-hydroxyisovaleric acid (see paper)
29% identity, 85% coverage: 44:461/492 of query aligns to 37:453/455 of 8jdpA

query
sites
8jdpA

C

C

D

Q

M

P

P

P

L

D

I

A

T

V

V

V

L

W

P

P

K

Q

T

N

V

V

E

D

Q

Q

V

V

C

S

E

R

V

V

M

A

R

S

I

L

C

C

Y

Y

R

N

Y

Q

Q

G

I

V

P

P

V

I

A
x
P

R

F

G
|
G

A
x
T

G
|
G

T
|
T

G
|
G

L

V

C

E

A

G

G
|
G

A
x
V

M

C

P

A

N

V

P

Q

D

G

G

G

V

V

L

C

L

I

V

N

L
|
L

S

T

R

H

F

M

K

D

H

Q

I

I

L

T

D

E

I

L

D

N

P

T

L

E

A

D

R

F

S

S

A

V

R

V

L

V

Q

E

P

P

G

G

V

V

R

T

N

R

L

K

A

A

I

L

S

N

E

T

A

H

A

L

S

R

P

D

Y

S

G

G

L

L

Y

W

Y

F

G

P

P

V

D

D

P
|
P

S
x
G

S
x
A

Q

D

I

-

A

-

C

A

S

S

I

L

G

C

G
|
G

N
x
M

V

A

A
|
A

E
x
T

N

G

S
x
A

G
x
S

G

G

V

T

H

N

C

A

L

V

K

R

Y

Y

G

G

L

T

T

M

T

R

H

D

N

N

L

V

L

I

K

N

I

L

E

E

M

V

V

V

T

L

V

P

E

D

G

G

E

R

L

L

I

L

T

H

I

T

G

A

S

G

E

R

G

G

L

R

-

H

-

Y

-

R

-

K

D

S

S

A

N

A

G

G

F

Y

D

N

L

L

M

T

A

G

L

L

I

F

T

V

G

G

S

S

E
|
E

G
|
G

L

T

L

L

G

G

V

I

I
|
I

T

T

E

S

V

T

T

T

V

L

K

R

L

L

L

H

P

P

S

A

P

P

E

E

K

A

A

T

Q

V

V

A

I

A

M

T

A

C

G

A

F

F

D

P

N

S

V

V

Q

Q

T

A

A

A

G

V

D

D

A

S

V

T

G

V

G

Q

V

I

I

L

A

Q

K

A

G

A

I

V

I

P

P

V

A

A

G

R

L

I

E

E

M

F

M

L

D

D

S

D

P

V

A

M

I

M

I

D

A

A

A

C

E

N

A

R

F

H

A

S

H

K

A

L

G

N

Y

C

P

P

T

V

D

-

A

-

Q

A

A

P

L

T

L

L

L

F

C

L

E

E

L

F

D

H

G

G

S

S

E

Q

A

Q

E

T

V

L

Q

A

E

E

Q

Q

I

L

A

Q

E

R

V

T

E

E

Q

A

L

I

F

T

I

Q

E

D

L

N

G

G

A

G

T

S

T

-

R

H

V

F

S

S

Q

W

S

A

E

A

A

E

E

K

R

R

A

N

L

E

L

L

W

W

K

A

G

A

R
|
R

K

H

S

N

A

A

F

W

P

Y

A

A

V

A

G

L

R

A

I

L

S

S

P

P

D

S

Y

K

-

A

Y

Y

C

S

M

T

D

D

G

V

T

C

I

V

P

P

R

I

S

S

Q

R

L

L

A

P

H

E

V

I

L

L

T

V

E

E

M

T

Q

K

K

E

L

E

S

I

E

K

Q

A

Y

S

G

K

L

L

R

T

V

G

A

A

N

I

V

V

F

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H

A

P

C

L

I

I

L

L

L

F

V

D

D

A

P

N

D

V

D

P

A

G

E

E

E

L

Q

E

R

R

R

T

V

E

K

E

A

F

F

G

A

S

E

R

N

I

L

L

G

E

R

L

R

C

A

V

L

K

A

V

L

G

G

C

T

I

C

T

T

G

G

E
|
E

H
|
H

G

G

V

I

G

G

V

L

E

G

K

K

I

R

R

Q

Q

L

M

L

T

Q

I

E

Q

E

F

V

N

G

D

P

Q

V

E

G

L

V

T

E

Q

T

F

M

H

R

A

Q

I

L

K

K

H

N

A

T

F

L

D

D

P

P

I

R

G

G

T

L

L

M

N
|
N

P

P

G

G

K

K

binding flavin-adenine dinucleotide: P68 (≠ A75), G70 (= G77), T71 (≠ A78), G72 (= G79), T73 (= T80), G74 (= G81), G78 (= G85), V79 (≠ A86), L90 (= L97), P132 (= P139), G133 (≠ S140), A134 (≠ S141), G140 (= G149), M141 (≠ N150), A143 (= A152), T144 (≠ E153), A146 (≠ S155), S147 (≠ G156), E200 (= E205), G201 (= G206), I206 (= I211), H369 (= H377), E413 (= E421), N450 (= N458)
binding deaminohydroxyvaline: R319 (= R328), H414 (= H422)

8jdrA Crystal structure of h405a mldhd in complex with d-2-hydroxy-3-methyl- valeric acid (see paper)
29% identity, 85% coverage: 44:461/492 of query aligns to 37:454/456 of 8jdrA

query
sites
8jdrA

C

C

D

Q

M

P

P

P

L

D

I

A

T

V

V

V

L

W

P

P

K

Q

T

N

V

V

E

D

Q

Q

V

V

C

S

E

R

V

V

M

A

R

S

I

L

C

C

Y

Y

R

N

Y

Q

Q

G

I

V

P

P

V

I

A
x
P

R

F

G
|
G

A
x
T

G
|
G

T
|
T

G
|
G

L

V

C

E

A

G

G
|
G

A
x
V

M

C

P

A

N

V

P

Q

D

G

G

G

V

V

L

C

L

I

V

N

L
|
L

S

T

R

H

F

M

K

D

H

Q

I

I

L

T

D

E

I

L

D

N

P

T

L

E

A

D

R

F

S

S

A

V

R

V

L

V

Q

E

P

P

G

G

V

V

R

T

N

R

L

K

A

A

I

L

S

N

E

T

A

H

A

L

S

R

P

D

Y

S

G

G

L

L

Y

W

Y

F

G

P

P

V

D

D

P
|
P

S
x
G

S
x
A

Q

D

I

-

A

-

C

A

S

S

I

L

G

C

G
|
G

N
x
M

V

A

A
|
A

E
x
T

N

G

S
x
A

G
x
S

G

G

V

T

H

N

C

A

L

V

K

R

Y

Y

G

G

L

T

T

M

T

R

H

D

N

N

L

V

L

I

K

N

I

L

E

E

M

V

V

V

T

L

V

P

E

D

G

G

E

R

L

L

I

L

T

H

I

T

G

A

S

G

E

R

G

G

L

R

-

H

-

Y

-

R

-

K

D

S

S

A

N

A

G

G

F

Y

D

N

L

L

M

T

A

G

L

L

I

F

T

V

G

G

S

S

E
|
E

G
|
G

L

T

L

L

G

G

V

I

I
|
I

T

T

E

S

V

T

T

T

V

L

K

R

L

L

L

H

P

P

S

A

P

P

E

E

K

A

A

T

Q

V

V

A

I

A

M

T

A

C

G

A

F

F

D

P

N

S

V

V

Q

Q

T

A

A

A

G

V

D

D

A

S

V

T

G

V

G

Q

V

I

I

L

A

Q

K

A

G

A

I

V

I

P

P

V

A

A

G

R

L

I

E

E

M

F

M

L

D

D

S

D

P

V

A

M

I

M

I

D

A

A

A

C

E

N

A

R

F

H

A

S

H

K

A

L

G

N

Y

C

P

P

T

V

D

-

A

-

Q

A

A

P

L

T

L

L

L

F

C

L

E

E

L

F

D

H

G

G

S

S

E

Q

A

Q

E

T

V

L

Q

A

E

E

Q

Q

I

L

A

Q

E

R

V

T

E

E

Q

A

L

I

F

T

I

Q

E

D

L

N

G

G

A

G

T

S

T

-

R

H

V

F

S

S

Q

W

S

A

E

A

A

E

E

K

R

R

A

N

L

E

L

L

W

W

K

A

G

A

R
|
R

K

H

S

N

A

A

F
x
W

P
x
Y

A

A

V

A

G

L

R

A

I

L

S

S

P

P

-

G

-

S

D

K

Y

A

Y

Y

C

S

M

T

D

D

G

V

T

C

I

V

P

P

R

I

S

S

Q

R

L

L

A

P

H

E

V

I

L

L

T

V

E

E

M

T

Q

K

K

E

L

E

S

I

E

K

Q

A

Y

S

G

K

L

L

R

T

V

G

A

A

N

I

V

V

F

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H

A

P

C

L

I

I

L

L

L

F

V

D

D

A

P

N

D

V

D

P

A

G

E

E

E

L

Q

E
&nb