SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_091206097.1 NCBI__GCF_900110105.1:WP_091206097.1 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)
36% identity, 100% coverage: 1:464/466 of query aligns to 1:463/467 of 7qh2C

query
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7qh2C

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binding flavin-adenine dinucleotide: V73 (≠ P73), G75 (= G75), S76 (≠ A76), G77 (= G77), T78 (= T78), G79 (= G79), L80 (= L80), A83 (≠ G83), C84 (≠ A84), P137 (= P137), G138 (≠ A138), E139 (≠ S139), A142 (≠ C143), T143 (≠ F144), G146 (= G147), N147 (= N148), S149 (= S150), T150 (≠ H151), A152 (≠ S153), G153 (= G154), E203 (= E204), G204 (= G205), I209 (≠ V210), E422 (= E423), H423 (= H424)
binding fe (iii) ion: H377 (= H378), H384 (= H385), E422 (= E423)

P9WIT1 Uncharacterized FAD-linked oxidoreductase Rv2280; EC 1.-.-.- from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
39% identity, 96% coverage: 17:465/466 of query aligns to 11:456/459 of P9WIT1

query
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P9WIT1

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K354 (≠ Q357) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)

8jdsA Crystal structure of mldhd in complex with pyruvate (see paper)
31% identity, 99% coverage: 6:465/466 of query aligns to 1:456/456 of 8jdsA

query
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E

S

E

T

D

D

T

V

V

C

V

V

P

P

R

I

A

S

A

R

L

L

P

P

Q

E

L

I

I

L

K

V

G

E

I

T

K

K

E

E

T

E

G

I

A

K

K

A

Y

S

G

K

F

L

E

T

S

G

V

A

C

I

Y

V

G

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H
|
H

V

C

N

-

I

I

I

L

K

L

A

V

N

D

M

P

S

D

D

D

S

A

D

E

W

E

N

Q

N

R

K

R

L

V

K

K

F

A

G

F

I

A

R

E

E

N

I

L

F

G

E

R

L

R

T

A

V

L

S

A

L

L

G

G

T

T

L

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

L

L

V

G

Q

K

K

R

D

Q

F

L

M

L

P

Q

I

E

K

E

Y

V

S

G

D

P

V

V

H

G

F

V

A

E

L

T

W

M

K

R

G

Q

I

L

K

K

Q

N

V

T

F

L

D

D

P

P

K

R

G

G

I

L

L

M

N
|
N

P

P

G

G

K

K

I

V

F

L

binding flavin-adenine dinucleotide: E32 (= E37), P68 (= P73), G70 (= G75), T71 (≠ A76), G72 (= G77), T73 (= T78), G74 (= G79), G78 (= G83), V79 (≠ A84), L90 (≠ M95), P132 (= P137), G133 (≠ A138), A134 (≠ S139), G140 (= G147), M141 (≠ N148), A143 (≠ S150), T144 (≠ H151), A146 (≠ S153), S147 (≠ G154), E200 (= E204), G201 (= G205), I206 (≠ V210), W323 (vs. gap), E414 (= E423), H415 (= H424), N451 (= N460)
binding manganese (ii) ion: H370 (= H378), H377 (= H385), E414 (= E423)
binding pyruvic acid: R319 (= R330), H370 (= H378), H377 (= H385), H415 (= H424)

8jdxA Crystal structure of mldhd in complex with 2-ketoisovaleric acid (see paper)
31% identity, 99% coverage: 6:465/466 of query aligns to 1:455/455 of 8jdxA

query
sites
8jdxA

I

L

S

S

A

Q

N

D

I

F

L

V

E

E

A

A

I

L

V

K

A

A

V

V

G

G

E

S

S

P

Y

H

V

V

L

S

T

T

S

A

H

S

E

A

S

V

L

R

E

E

K

Q

Y

H

S

G

H

H

D

D

E
|
E

T

S

E

M

D

H

L

R

V

C

Y

Q

Y

P

P

P

E

D

V

A

V

V

A

V

R

W

P

P

Q

Q

T

N

P

V

E

D

E

Q

V

V

S

S

A

R

L

V

L

A

K

S

I

L

C

C

N

Y

E

N

N

Q

L

G

I

V

P

P

V

I

T

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

T
|
T

G
|
G

L

V

S

E

G

G

G
|
G

A
x
V

L

C

P

A

V

V

R

Q

G

G

L

V

L

C

I

I

T

N

M
x
L

E

T

R

H

F

M

N

D

K

Q

V

I

L

T

E

E

I

L

D

N

E

T

Q

E

N

D

L

F

Q

S

A

V

T

V

V

V

E

E

P

P

G

G

V

V

V

T

T

R

E

K

E

A

F

L

M

N

N

T

E

H

V

L

A

R

A

D

K

S

G

G

L

L

L

W

Y

F

P

P

V

V

D

D

P
|
P

A
x
G

S
x
A

K

D

G

A

S

S

C

-

F

-

I

L

G

C

G
|
G

N
x
M

V

A

S
x
A

H
x
T

G

G

S
x
A

G
x
S

G

G

P

T

R

N

V

A

V

V

K

R

Y

Y

G

G

T

T

I

M

R

R

E

D

Y

N

V

V

L

I

N

N

L

L

Q

E

V

V

L

L

T

P

S

D

G

G

E

R

I

L

W

H

T

T

-

A

-

G

-

R

G

G

A

R

N

H

T

Y

L

R

K

K

Y

S

A

A

S

A

G

G

Y

Y

N

N

L

L

T

T

Q

G

L

L

M

F

I

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

I

I

V
x
I

T

T

K

S

I

T

V

T

V

L

K

R

L

L

I

H

P

P

A

A

P

P

T

E

L

A

D

T

A

V

L

A

M

A

L

T

A

C

S

A

F

F

P

P

T

S

N

V

E

Q

A

A

C

V

A

D

A

S

V

T

S

V

A

Q

I

I

F

L

R

Q

A

A

G

A

I

V

I

P

P

V

S

A

A

R

L

I

E

E

F

F

M

L

E

D

R

D

K

V

G

M

V

M

E

D

W

A

V

C

K

N

Q

R

H

H

D

-

I

-

A

-

F

-

D

S

L

L

Q

N

D

C

A

P

I

V

E

A

A

P

F

T

L

L

L

F

I

L

E

E

V

F

D

H

G

G

T

S

N

Q

Q

Q

D

-

V

T

I

L

F

A

T

E

D

Q

C

L

E

Q

K

R

I

T

N

E

A

A

V

I

L

T

E

Q

E

-

F

-

D

D

C

N

R

G

D

G

V

S

L

H

F

F

A

S

D

W

S

A

A

A

A

E

Q

K

K

R

E

N

E

E

L

L

W

W

R

A

L

A

R
|
R

R

H

T

N

-

A

-
x
W

-

Y

M

A

A

A

V

L

S

A

V

L

K

S

S

P

N

G

S

S

V

K

Y

A

K

Y

E

S

E

T

D

D

T

V

V

C

V

V

P

P

R

I

A

S

A

R

L

L

P

P

Q

E

L

I

I

L

K

V

G

E

I

T

K

K

E

E

T

E

G

I

A

K

K

A

Y

S

G

K

F

L

E

T

S

G

V

A

C

I

Y

V

G

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H
|
H

V

C

N

-

I

I

I

L

K

L

A

V

N

D

M

P

S

D

D

D

S

A

D

E

W

E

N

Q

N

R

K

R

L

V

K

K

F

A

G

F

I

A

R

E

E

N

I

L

F

G

E

R

L

R

T

A

V

L

S

A

L

L

G

G

T

T

L

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

L

L

V

G

Q

K

K

R

D

Q

F

L

M

L

P

Q

I

E

K

E

Y

V

S

G

D

P

V

V

H

G

F

V

A

E

L

T

W

M

K

R

G

Q

I

L

K

K

Q

N

V

T

F

L

D

D

P

P

K

R

G

G

I

L

L

M

N
|
N

P

P

G

G

K

K

I

V

F

L

binding flavin-adenine dinucleotide: E32 (= E37), P68 (= P73), G70 (= G75), T71 (≠ A76), G72 (= G77), T73 (= T78), G74 (= G79), G78 (= G83), V79 (≠ A84), L90 (≠ M95), P132 (= P137), G133 (≠ A138), A134 (≠ S139), G140 (= G147), M141 (≠ N148), A143 (≠ S150), T144 (≠ H151), A146 (≠ S153), S147 (≠ G154), E200 (= E204), G201 (= G205), I206 (≠ V210), W322 (vs. gap), E413 (= E423), H414 (= H424), N450 (= N460)
binding 3-methyl-2-oxobutanoic acid: R318 (= R330), H369 (= H378), H376 (= H385), H414 (= H424)
binding manganese (ii) ion: H369 (= H378), H376 (= H385), E413 (= E423)

8jdeA Crystal structure of mldhd in complex with d-lactate (see paper)
31% identity, 99% coverage: 6:465/466 of query aligns to 1:455/455 of 8jdeA

query
sites
8jdeA

I

L

S

S

A

Q

N

D

I

F

L

V

E

E

A

A

I

L

V

K

A

A

V

V

G

G

E

S

S

P

Y

H

V

V

L

S

T

T

S

A

H

S

E

A

S

V

L

R

E

E

K

Q

Y

H

S

G

H

H

D

D

E

E

T

S

E

M

D

H

L

R

V

C

Y

Q

Y

P

P

P

E

D

V

A

V

V

A

V

R

W

P

P

Q

Q

T

N

P

V

E

D

E

Q

V

V

S

S

A

R

L

V

L

A

K

S

I

L

C

C

N

Y

E

N

N

Q

L

G

I

V

P

P

V

I

T

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

T
|
T

G
|
G

L

V

S

E

G

G

G
|
G

A
x
V

L

C

P

A

V

V

R

Q

G

G

L

V

L

C

I

I

T

N

M
x
L

E

T

R

H

F

M

N

D

K

Q

V

I

L

T

E

E

I

L

D

N

E

T

Q

E

N

D

L

F

Q

S

A

V

T

V

V

V

E

E

P

P

G

G

V

V

V

T

T

R

E

K

E

A

F

L

M

N

N

T

E

H

V

L

A

R

A

D

K

S

G

G

L

L

L

W

Y

F

P

P

V

V

D

D

P
|
P

A
x
G

S
x
A

K

D

G

A

S

S

C

-

F

-

I

L

G

C

G
|
G

N
x
M

V

A

S
x
A

H
x
T

G

G

S
x
A

G
x
S

G

G

P

T

R

N

V

A

V

V

K

R

Y

Y

G

G

T

T

I

M

R

R

E

D

Y

N

V

V

L

I

N

N

L

L

Q

E

V

V

L

L

T

P

S

D

G

G

E

R

I

L

W

H

T

T

-

A

-

G

-

R

G

G

A

R

N

H

T

Y

L

R

K

K

Y

S

A

A

S

A

G

G

Y

Y

N

N

L

L

T

T

Q

G

L

L

M

F

I

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

I

I

V
x
I

T

T

K

S

I

T

V

T

V

L

K

R

L

L

I

H

P

P

A

A

P

P

T

E

L

A

D

T

A

V

L

A

M

A

L

T

A

C

S

A

F

F

P

P

T

S

N

V

E

Q

A

A

C

V

A

D

A

S

V

T

S

V

A

Q

I

I

F

L

R

Q

A

A

G

A

I

V

I

P

P

V

S

A

A

R

L

I

E

E

F

F

M

L

E

D

R

D

K

V

G

M

V

M

E

D

W

A

V

C

K

N

Q

R

H

H

D

S

D

-

I

-

A

-

F

-

D

K

L

L

Q

N

D

C

A

P

I

V

E

A

A

P

F

T

L

L

L

F

I

L

E

E

V

F

D

H

G

G

T

S

N

Q

Q

Q

D

-

V

T

I

L

F

A

T

E

D

Q

C

L

E

Q

K

R

I

T

N

E

A

A

V

I

L

T

E

Q

E

D

F

N

D

G

C

G

R

S

D

H

V

F

L

S

F

W

A

-

D

-

S

-

A

A

Q

E

K

K

E

N

E

E

L

L

W

W

R

A

L

A

R
|
R

R

H

T

N

-

A

-
x
W

-

Y

M

A

A

A

V

L

S

A

V

L

K

S

S

P

N

G

S

S

V

K

Y

A

K

Y

E

S

E

T

D

D

T

V

V

C

V

V

P

P

R

I

A

S

A

R

L

L

P

P

Q

E

L

I

I

L

K

V

G

E

I

T

K

K

E

E

T

E

G

I

A

K

K

A

Y

S

G

K

F

L

E

T

S

G

V

A

C

I

Y

V

G

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H
|
H

V

C

N

-

I

I

I

L

K

L

A

V

N

D

M

P

S

D

D

D

S

A

D

E

W

E

N

Q

N

R

K

R

L

V

K

K

F

A

G

F

I

A

R

E

E

N

I

L

F

G

E

R

L

R

T

A

V

L

S

A

L

L

G

G

T

T

L

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

L

L

V

G

Q

K

K

R

D

Q

F

L

M

L

P

Q

I

E

K

E

Y

V

S

G

D

P

V

V

H

G

F

V

A

E

L

T

W

M

K

R

G

Q

I

L

K

K

Q

N

V

T

F

L

D

D

P

P

K

R

G

G

I

L

L

M

N
|
N

P

P

G

G

K

K

I

V

F

L

binding flavin-adenine dinucleotide: P68 (= P73), G70 (= G75), T71 (≠ A76), G72 (= G77), T73 (= T78), G74 (= G79), G78 (= G83), V79 (≠ A84), L90 (≠ M95), P132 (= P137), G133 (≠ A138), A134 (≠ S139), G140 (= G147), M141 (≠ N148), A143 (≠ S150), T144 (≠ H151), A146 (≠ S153), S147 (≠ G154), E200 (= E204), G201 (= G205), I206 (≠ V210), W322 (vs. gap), E413 (= E423), H414 (= H424), N450 (= N460)
binding lactic acid: R318 (= R330), H369 (= H378), H376 (= H385), H414 (= H424)
binding manganese (ii) ion: H369 (= H378), H376 (= H385), E413 (= E423)

8jduA Crystal structure of mldhd in complex with 2-ketovaleric acid (see paper)
31% identity, 99% coverage: 6:465/466 of query aligns to 1:455/455 of 8jduA

query
sites
8jduA

I

L

S

S

A

Q

N

D

I

F

L

V

E

E

A

A

I

L

V

K

A

A

V

V

G

G

E

S

S

P

Y

H

V

V

L

S

T

T

S

A

H

S

E

A

S

V

L

R

E

E

K

Q

Y

H

S

G

H

H

D

D

E

E

T

S

E

M

D

H

L

R

V

C

Y

Q

Y

P

P

P

E

D

V

A

V

V

A

V

R

W

P

P

Q

Q

T

N

P

V

E

D

E

Q

V

V

S

S

A

R

L

V

L

A

K

S

I

L

C

C

N

Y

E

N

N

Q

L

G

I

V

P

P

V

I

T

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

T
|
T

G
|
G

L

V

S

E

G

G

G
|
G

A
x
V

L

C

P

A

V

V

R

Q

G

G

L

V

L

C

I

I

T

N

M
x
L

E

T

R

H

F

M

N

D

K

Q

V

I

L

T

E

E

I

L

D

N

E

T

Q

E

N

D

L

F

Q

S

A

V

T

V

V

V

E

E

P

P

G

G

V

V

V

T

T

R

E

K

E

A

F

L

M

N

N

T

E

H

V

L

A

R

A

D

K

S

G

G

L

L

L

W

Y

F

P

P

V

V

D

D

P
|
P

A
x
G

S
x
A

K

D

G

A

S

S

C

-

F

-

I

L

G

C

G
|
G

N
x
M

V

A

S
x
A

H
x
T

G

G

S
x
A

G
x
S

G

G

P

T

R

N

V

A

V

V

K

R

Y

Y

G

G

T

T

I

M

R

R

E

D

Y

N

V

V

L

I

N

N

L

L

Q

E

V

V

L

L

T

P

S

D

G

G

E

R

I

L

W

H

T

T

-

A

-

G

-

R

G

G

A

R

N

H

T

Y

L

R

K

K

Y

S

A

A

S

A

G

G

Y

Y

N

N

L

L

T

T

Q

G

L

L

M

F

I

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

I

I

V
x
I

T

T

K

S

I

T

V

T

V

L

K

R

L

L

I

H

P

P

A

A

P

P

T

E

L

A

D

T

A

V

L

A

M

A

L

T

A

C

S

A

F

F

P

P

T

S

N

V

E

Q

A

A

C

V

A

D

A

S

V

T

S

V

A

Q

I

I

F

L

R

Q

A

A

G

A

I

V

I

P

P

V

S

A

A

R

L

I

E

E

F

F

M

L

E

D

R

D

K

V

G

M

V

M

E

D

W

A

V

C

K

N

Q

R

H

H

D

S

D

-

I

-

A

-

F

-

D

K

L

L

Q

N

D

C

A

P

I

V

E

A

A

P

F

T

L

L

L

F

I

L

E

E

V

F

D

H

G

G

T

S

N

Q

Q

Q

D

-

V

T

I

L

F

A

T

E

D

Q

C

L

E

Q

K

R

I

T

N

E

A

A

V

I

L

T

E

Q

E

N

F

G

D

G

C

S

R

H

D

-

V

-

L

-

F

F

A

S

D

W

S

A

A

A

A

E

Q

K

K

R

E

N

E

E

L

L

W

W

R

A

L

A

R
|
R

R

H

T

N

-

A

-
x
W

-

Y

M

A

A

A

V

L

S

A

V

L

K

S

S

P

N

G

S

S

V

K

Y

A

K

Y

E

S

E

T

D

D

T

V

V

C

V

V

P

P

R

I

A

S

A

R

L

L

P

P

Q

E

L

I

I

L

K

V

G

E

I

T

K

K

E

E

T

E

G

I

A

K

K

A

Y

S

G

K

F

L

E

T

S

G

V

A

C

I

Y

V

G

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H
|
H

V

C

N

-

I

I

I

L

K

L

A

V

N

D

M

P

S

D

D

D

S

A

D

E

W

E

N

Q

N

R

K

R

L

V

K

K

F

A

G

F

I

A

R

E

E

N

I

L

F

G

E

R

L

R

T

A

V

L

S

A

L

L

G

G

T

T

L

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

L

L

V

G

Q

K

K

R

D

Q

F

L

M

L

P

Q

I

E

K

E

Y

V

S

G

D

P

V

V

H

G

F

V

A

E

L

T

W

M

K

R

G

Q

I

L

K

K

Q

N

V

T

F

L

D

D

P

P

K

R

G

G

I

L

L

M

N
|
N

P

P

G

G

K

K

I

V

F

L

binding 2-oxopentanoic acid: R318 (= R330), W322 (vs. gap), H369 (= H378), H376 (= H385), H414 (= H424)
binding flavin-adenine dinucleotide: P68 (= P73), G70 (= G75), T71 (≠ A76), G72 (= G77), T73 (= T78), G74 (= G79), G78 (= G83), V79 (≠ A84), L90 (≠ M95), P132 (= P137), G133 (≠ A138), A134 (≠ S139), G140 (= G147), M141 (≠ N148), A143 (≠ S150), T144 (≠ H151), A146 (≠ S153), S147 (≠ G154), E200 (= E204), G201 (= G205), I206 (≠ V210), W322 (vs. gap), E413 (= E423), N450 (= N460)
binding manganese (ii) ion: H369 (= H378), H376 (= H385), E413 (= E423)

8jdvA Crystal structure of mldhd in complex with 2-ketohexanoic acid (see paper)
31% identity, 99% coverage: 6:465/466 of query aligns to 1:454/454 of 8jdvA

query
sites
8jdvA

I

L

S

S

A

Q

N

D

I

F

L

V

E

E

A

A

I

L

V

K

A

A

V

V

G

G

E

S

S

P

Y

H

V

V

L

S

T

T

S

A

H

S

E

A

S

V

L

R

E

E

K

Q

Y

H

S

G

H

H

D

D

E

E

T

S

E

M

D

H

L

R

V

C

Y

Q

Y

P

P

P

E

D

V

A

V

V

A

V

R

W

P

P

Q

Q

T

N

P

V

E

D

E

Q

V

V

S

S

A

R

L

V

L

A

K

S

I

L

C

C

N

Y

E

N

N

Q

L

G

I

V

P

P

V

I

T

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

T
|
T

G
|
G

L
x
V

S

E

G

G

G
|
G

A
x
V

L

C

P

A

V

V

R

Q

G

G

L

V

L

C

I

I

T

N

M
x
L

E

T

R

H

F

M

N

D

K

Q

V

I

L

T

E

E

I

L

D

N

E

T

Q

E

N

D

L

F

Q

S

A

V

T

V

V

V

E

E

P

P

G

G

V

V

V

T

T

R

E

K

E

A

F

L

M

N

N

T

E

H

V

L

A

R

A

D

K

S

G

G

L

L

L

W

Y

F

P

P

V

V

D

D

P
|
P

A
x
G

S
x
A

K

D

G

A

S

S

C

-

F

-

I

L

G

C

G
|
G

N
x
M

V

A

S
x
A

H
x
T

G

G

S
x
A

G
x
S

G

G

P

T

R

N

V

A

V

V

K

R

Y

Y

G

G

T

T

I

M

R

R

E

D

Y

N

V

V

L

I

N

N

L

L

Q

E

V

V

L

L

T

P

S

D

G

G

E

R

I

L

W

H

T

T

-

A

-

G

-

R

G

G

A

R

N

H

T

Y

L

R

K

K

Y

S

A

A

S

A

G

G

Y

Y

N

N

L

L

T

T

Q

G

L

L

M

F

I

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

I

I

V
x
I

T

T

K

S

I

T

V

T

V

L

K

R

L

L

I

H

P

P

A

A

P

P

T

E

L

A

D

T

A

V

L

A

M

A

L

T

A

C

S

A

F

F

P

P

T

S

N

V

E

Q

A

A

C

V

A

D

A

S

V

T

S

V

A

Q

I

I

F

L

R

Q

A

A

G

A

I

V

I

P

P

V

S

A

A

R

L

I

E

E

F

F

M

L

E

D

R

D

K

V

G

M

V

M

E

D

W

A

V

C

K

N

Q

R

H

H

D

S

D

-

I

-

A

-

F

-

D

K

L

L

Q

N

D

C

A

P

I

V

E

A

A

P

F

T

L

L

L

F

I

L

E

E

V

F

D

H

G

G

T

S

N

Q

Q

Q

D

-

V

T

I

L

F

A

T

E

D

Q

C

L

E

Q

K

R

I

T

N

E

A

A

V

I

L

T

E

Q

E

D

F

N

D

G

C

G

R

S

D

H

V

F

L

-

F

-

A

-

D

-

S

S

A

A

A

E

Q

K

K

R

E

N

E

E

L

L

W

W

R

A

L

A

R
|
R

R

H

T

N

-

A

-
x
W

-
x
Y

M

A

A

A

V

L

S

A

V

L

K

S

S

P

N

G

S

S

V

K

Y

A

K

Y

E

S

E

T

D

D

T

V

V

C

V

V

P

P

R

I

A

S

A

R

L

L

P

P

Q

E

L

I

I

L

K

V

G

E

I

T

K

K

E

E

T

E

G

I

A

K

K

A

Y

S

G

K

F

L

E

T

S

G

V

A

C

I

Y

V

G

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H
|
H

V

C

N

-

I

I

I

L

K

L

A

V

N

D

M

P

S

D

D

D

S

A

D

E

W

E

N

Q

N

R

K

R

L

V

K

K

F

A

G

F

I

A

R

E

E

N

I

L

F

G

E

R

L

R

T

A

V

L

S

A

L

L

G

G

T

T

L

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

L

L

V

G

Q

K

K

R

D

Q

F

L

M

L

P

Q

I

E

K

E

Y

V

S

G

D

P

V

V

H

G

F

V

A

E

L

T

W

M

K

R

G

Q

I

L

K

K

Q

N

V

T

F

L

D

D

P

P

K

R

G

G

I

L

L

M

N
|
N

P

P

G

G

K

K

I

V

F

L

binding 2-Ketohexanoic acid: V75 (≠ L80), R317 (= R330), W321 (vs. gap), H368 (= H378), H375 (= H385), H413 (= H424)
binding flavin-adenine dinucleotide: P68 (= P73), G70 (= G75), T71 (≠ A76), G72 (= G77), T73 (= T78), G74 (= G79), G78 (= G83), V79 (≠ A84), L90 (≠ M95), P132 (= P137), G133 (≠ A138), A134 (≠ S139), G140 (= G147), M141 (≠ N148), A143 (≠ S150), T144 (≠ H151), A146 (≠ S153), S147 (≠ G154), E200 (= E204), G201 (= G205), I206 (≠ V210), W321 (vs. gap), Y322 (vs. gap), E412 (= E423), H413 (= H424), N449 (= N460)
binding manganese (ii) ion: H368 (= H378), H375 (= H385), E412 (= E423)

8jdtA Crystal structure of mldhd in complex with 2-ketobutanoic acid (see paper)
30% identity, 99% coverage: 6:465/466 of query aligns to 1:455/455 of 8jdtA

query
sites
8jdtA

I

L

S

S

A

Q

N

D

I

F

L

V

E

E

A

A

I

L

V

K

A

A

V

V

G

G

E

S

S

P

Y

H

V

V

L

S

T

T

S

A

H

S

E

A

S

V

L

R

E

E

K

Q

Y

H

S

G

H

H

D

D

E

E

T

S

E

M

D

H

L

R

V

C

Y

Q

Y

P

P

P

E

D

V

A

V

V

A

V

R

W

P

P

Q

Q

T

N

P

V

E

D

E

Q

V

V

S

S

A

R

L

V

L

A

K

S

I

L

C

C

N

Y

E

N

N

Q

L

G

I

V

P

P

V

I

T

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

T
|
T

G
|
G

L

V

S

E

G

G

G
|
G

A
x
V

L

C

P

A

V

V

R

Q

G

G

L

V

L

C

I

I

T

N

M
x
L

E

T

R

H

F

M

N

D

K

Q

V

I

L

T

E

E

I

L

D

N

E

T

Q

E

N

D

L

F

Q

S

A

V

T

V

V

V

E

E

P

P

G

G

V

V

V

T

T

R

E

K

E

A

F

L

M

N

N

T

E

H

V

L

A

R

A

D

K

S

G

G

L

L

L

W

Y

F

P

P

V

V

D

D

P
|
P

A
x
G

S
x
A

K

D

G

A

S

S

C

-

F

-

I

L

G

C

G
|
G

N
x
M

V

A

S
x
A

H
x
T

G

G

S
x
A

G
x
S

G

G

P

T

R

N

V

A

V

V

K

R

Y

Y

G

G

T

T

I

M

R

R

E

D

Y

N

V

V

L

I

N

N

L

L

Q

E

V

V

L

L

T

P

S

D

G

G

E

R

I

L

W

H

T

T

-

A

-

G

-

R

G

G

A

R

N

H

T

Y

L

R

K

K

Y

S

A

A

S

A

G

G

Y

Y

N

N

L

L

T

T

Q

G

L

L

M

F

I

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

I

I

V
x
I

T

T

K

S

I

T

V

T

V

L

K

R

L

L

I

H

P

P

A

A

P

P

T

E

L

A

D

T

A

V

L

A

M

A

L

T

A

C

S

A

F

F

P

P

T

S

N

V

E

Q

A

A

C

V

A

D

A

S

V

T

S

V

A

Q

I

I

F

L

R

Q

A

A

G

A

I

V

I

P

P

V

S

A

A

R

L

I

E

E

F

F

M

L

E

D

R

D

K

V

G

M

V

M

E

D

W

A

V

C

K

N

Q

R

H

H

D

S

D

-

I

-

A

-

F

-

D

K

L

L

Q

N

D

C

A

P

I

V

E

A

A

P

F

T

L

L

L

F

I

L

E

E

V

F

D

H

G

G

T

S

N

Q

Q

Q

D

-

V

T

I

L

F

A

T

E

D

Q

C

L

E

Q

K

R

I

T

N

E

A

A

V

I

L

T

E

Q

E

D

F

N

D

G

C

G

R

S

D

H

V

F

L

S

F

W

A

A

D

E

S

-

A

-

Q

K

K

R

E

N

E

E

L

L

W

W

R

A

L

A

R
|
R

R

H

T

N

-

A

-
x
W

-

Y

M

A

A

A

V

L

S

A

V

L

K

S

S

P

N

G

S

S

V

K

Y

A

K

Y

E

S

E

T

D

D

T

V

V

C

V

V

P

P

R

I

A

S

A

R

L

L

P

P

Q

E

L

I

I

L

K

V

G

E

I

T

K

K

E

E

T

E

G

I

A

K

K

A

Y

S

G

K

F

L

E

T

S

G

V

A

C

I

Y

V

G

G

H
|
H

A

V

G

G

D

D

G

G

N

N

L

F

H
|
H

V

C

N

-

I

I

I

L

K

L

A

V

N

D

M

P

S

D

D

D

S

A

D

E

W

E

N

Q

N

R

K

R

L

V

K

K

F

A

G

F

I

A

R

E

E

N

I

L

F

G

E

R

L

R

T

A

V

L

S

A

L

L

G

G

T

T

L

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

L

L

V

G

Q

K

K

R

D

Q

F

L

M

L

P

Q

I

E

K

E

Y

V

S

G

D

P

V

V

H

G

F

V

A

E

L

T

W

M

K

R

G

Q

I

L

K

K

Q

N

V

T

F

L

D

D

P

P

K

R

G

G

I

L

L

M

N
|
N

P

P

G

G

K

K

I

V

F

L

binding 2-ketobutyric acid: R318 (= R330), H369 (= H378), H376 (= H385), H414 (= H424)
binding flavin-adenine dinucleotide: P68 (= P73), G70 (= G75), T71 (≠ A76), G72 (= G77), T73 (= T78), G74 (= G79), G78 (= G83), V79 (≠ A84), L90 (≠ M95), P132 (= P137), G133 (≠ A138), A134 (≠ S139), G140 (= G147), M141 (≠ N148), A143 (≠ S150), T144 (≠ H151), A146 (≠ S153), S147 (≠ G154), E200 (= E204), G201 (= G205), I206 (≠ V210), W322 (vs. gap), E413 (= E423), H414 (= H424), N450 (= N460)
binding manganese (ii) ion: H369 (= H378), H376 (= H385), E413 (= E423)

8jdzA Crystal structure of mldhd in complex with 2-keto-3-methylvaleric acid (see paper)
31% identity, 99% coverage: 6:465/466 of query aligns to 1:454/454 of 8jdzA

query
sites
8jdzA

I

L

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G

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x
T

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T

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G

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G
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G

A
x
V

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A

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C

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x
L

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E

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P

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x
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x
A

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D

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A

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-

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-

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G

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x
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x
A

H
x
T

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x
A

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x
S

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A

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Y

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-

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I

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N

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-

I

-

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-

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L

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-

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R

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x
W

-

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|
H

A

V

G

G

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D

G

G

N

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H
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H

V

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N

I

I

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K

V

A

D

N

-

M

-

S

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E

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A

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C

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G

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H
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H

G

G

I

I

G

G

L

L

V

G

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D

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G

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F

L

binding (3S)-3-methyl-2-oxopentanoic acid: R318 (= R330), W322 (vs. gap), H369 (= H378), H376 (= H385), H413 (= H424)
binding flavin-adenine dinucleotide: E32 (= E37), P68 (= P73), G70 (= G75), T71 (≠ A76), G72 (= G77), T73 (= T78), G74 (= G79), G78 (= G83), V79 (≠ A84), L90 (≠ M95), P132 (= P137), G133 (≠ A138), A134 (≠ S139), G140 (= G147), M141 (≠ N148), A143 (≠ S150), T144 (≠ H151), A146 (≠ S153), S147 (≠ G154), E200 (= E204), G201 (= G205), I206 (≠ V210), W322 (vs. gap), E412 (= E423), H413 (= H424), N449 (= N460)
binding manganese (ii) ion: H369 (= H378), H376 (= H385), E412 (= E423)

8jdyA Crystal structure of mldhd in complex with 2-ketoisocaproic acid (see paper)
31% identity, 99% coverage: 6:465/466 of query aligns to 1:454/454 of 8jdyA

query
sites
8jdyA

I

L

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S

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A

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A
x
T</