SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_013461037.1 NCBI__GCF_000183725.1:WP_013461037.1 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)
38% identity, 91% coverage: 40:458/461 of query aligns to 45:463/467 of 7qh2C

query
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7qh2C

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binding flavin-adenine dinucleotide: V73 (≠ P68), G75 (= G70), S76 (≠ A71), G77 (= G72), T78 (≠ S73), G79 (= G74), L80 (≠ F75), A83 (≠ G78), C84 (≠ A79), P137 (= P133), G138 (≠ A134), E139 (≠ Q136), A142 (≠ S139), T143 (= T140), G146 (= G143), N147 (= N144), S149 (≠ N146), T150 (≠ E147), A152 (= A149), G153 (= G150), E203 (= E200), G204 (= G201), I209 (≠ T206), E422 (= E417), H423 (= H418)
binding fe (iii) ion: H377 (= H373), H384 (= H380), E422 (= E417)

P9WIT1 Uncharacterized FAD-linked oxidoreductase Rv2280; EC 1.-.-.- from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
35% identity, 97% coverage: 10:455/461 of query aligns to 8:452/459 of P9WIT1

query
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P9WIT1

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K354 (≠ A352) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)

8jdtA Crystal structure of mldhd in complex with 2-ketobutanoic acid (see paper)
31% identity, 99% coverage: 2:458/461 of query aligns to 1:454/455 of 8jdtA

query
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Y

K

K

E

I

E

A

I

D

K

K

A

Y

S

N

K

I

L

K

T

I

G

P

A

C

I

F

V

G

G

H
|
H

T

V

G

G

D

D

G

G

N

N

V

F

H
|
H

T

C

N

I

V

L

M

L

V

V

D

D

G

P

K

D

D

D

P

A

E

E

Q

E

V

Q

K

R

I

R

G

V

Y

K

K

A

A

F

I

A

E

E

E

N

V

L

F

G

Q

R

A

R

T

A

I

L

D

A

L

L

G

G

G

G

T

T

L

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

L

L

A

G

K

K

A

R

P

Q

Y

L

M

L

G

Q

M

E

A

E

F

V

T

G

P

P

E

V

E

G

M

V

A

E

L

T

F

M

Q

R

S

Q

I

L

K

K

R

N

A

T

F

L

D

D

P

P

N

R

N

G

I

L

L

M

N
|
N

P

P

S

G

K

K

M

V

binding 2-ketobutyric acid: R318 (= R324), H369 (= H373), H376 (= H380), H414 (= H418)
binding flavin-adenine dinucleotide: P68 (= P68), G70 (= G70), T71 (≠ A71), G72 (= G72), T73 (≠ S73), G74 (= G74), G78 (= G78), V79 (≠ A79), L90 (≠ F90), P132 (= P133), G133 (≠ A134), A134 (≠ S135), G140 (= G143), M141 (≠ N144), A143 (≠ N146), T144 (≠ E147), A146 (= A149), S147 (≠ G150), E200 (= E200), G201 (= G201), I206 (≠ T206), W322 (vs. gap), E413 (= E417), H414 (= H418), N450 (= N454)
binding manganese (ii) ion: H369 (= H373), H376 (= H380), E413 (= E417)

8jdeA Crystal structure of mldhd in complex with d-lactate (see paper)
31% identity, 99% coverage: 2:458/461 of query aligns to 1:454/455 of 8jdeA

query
sites
8jdeA

L

L

S

S

T

Q

H

D

A

F

L

V

D

E

F

A

F

L

T

K

T

A

L

V

L

V

G

G

K

S

E

P

N

H

V

V

Y

S

S

T

D

A

K

S

A

A

H

V

L

R

I

E

A

Q

Y

H

S

G

Y

H

D

D

A

E

T

S

R

M

E

H

R

R

F

C

E

Q

P

P

-

P

E

D

A

A

V

V

L

V

F

W

P

P

R

Q

H

N

E

V

Q

D

D

Q

V

V

S

S

D

R

I

V

L

A

K

S

Y

L

C

C

N

Y

E

N

H

Q

K

G

I

V

V

P

I

I

V

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

S
x
T

G
|
G

F

V

T

E

G

G

G
|
G

A
x
V

L

C

P

A

A

V

N

Q

G

G

G

G

I

V

V

C

L

I

A

N

F
x
L

E

-

K

T

H

H

M

M

N

D

K

Q

I

I

L

T

E

E

I

L

D

N

M

T

Q

E

N

D

M

F

V

S

A

V

V

V

V

V

Q

E

P

P

G

G

V

V

V

T

N

R

M

K

E

A

L

L

Q

N

R

T

A

H

V

L

E

R

E

D

V

S

G

G

L

L

F

W

Y

F

P

P

P

V

D

D

P
|
P

A
x
G

S
x
A

Q

D

E

-

Y

-

S

A

T

S

I

L

G

C

G
|
G

N
x
M

V

A

N
x
A

E
x
T

N

G

A
|
A

G
x
S

G

G

M

T

R

N

A

A

A

V

K

R

Y

Y

G

G

I

T

T

M

K

R

D

D

Y

N

V

V

M

I

A

N

I

L

R

E

A

V

V

V

L

L

P

P

N

D

G

G

D

R

I

L

I

L

K

H

A

T

-

A

-

G

-

R

G

G

K

R

K

H

T

Y

I

R

K

K

D

S

V

A

A

A

G

G

Y

Y

N

N

I

L

A

T

G

G

I

L

L

F

I

V

A

G

S

S

E
|
E

G
|
G

T

T

L

L

A

G

V

I

T
x
I

T

T

E

S

V

T

T

T

L

L

K

R

L

L

L

H

S

P

K

A

P

P

K

E

M

A

T

T

K

V

T

A

A

A

M

T

G

C

I

A

F

F

P

P

T

S

V

V

H

Q

S

A

A

A

M

V

E

D

A

S

V

T

Y

V

K

Q

T

I

M

L

A

Q

S

A

G

A

V

V

T

P

P

V

V

A

A

R

M

I

E

E

F

F

L

L

D

D

N

D

L

V

T

M

I

M

R

D

A

A

V

C

E

N

Q

R

T

-

Y

-

H

H

K

S

G

K

L

L

P

N

V

C

E

P

A

V

G

A

A

P

I

T

L

L

V

F

T

L

D

E

V

F

D

H

G

G

N

S

L

-

E

Q

E

Q

D

T

L

L

D

A

F

E

Q

Q

L

L

D

Q

V

R

I

T

G

E

R

A

V

I

F

T

R

Q

E

D

N

N

G

G

C

G

S

S

D

H

F

F

H

S

I

W

A

A

Q

A

N

E

K

K

Q

N

E

E

A

-

S

-

D

-

L

L

W

W

F

A

A

A

R
|
R

R

H

N

N

A

A

-
x
W

-

Y

-

A

S

A

Q

L

S

A

L

L

S

S

V

-

Y

P

G

G

S

S

K

K

K

A

L

Y

N

S

E

T

D

D

V

V

T

C

V

V

P

P

R

I

S

S

A

R

L

L

P

P

A

E

L

I

L

L

D

V

Q

E

F

T

Y

K

K

E

I

E

A

I

D

K

K

A

Y

S

N

K

I

L

K

T

I

G

P

A

C

I

F

V

G

G

H
|
H

T

V

G

G

D

D

G

G

N

N

V

F

H
|
H

T

C

N

I

V

L

M

L

V

V

D

D

G

P

K

D

D

D

P

A

E

E

Q

E

V

Q

K

R

I

R

G

V

Y

K

K

A

A

F

I

A

E

E

E

N

V

L

F

G

Q

R

A

R

T

A

I

L

D

A

L

L

G

G

G

G

T

T

L

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

L

L

A

G

K

K

A

R

P

Q

Y

L

M

L

G

Q

M

E

A

E

F

V

T

G

P

P

E

V

E

G

M

V

A

E

L

T

F

M

Q

R

S

Q

I

L

K

K

R

N

A

T

F

L

D

D

P

P

N

R

N

G

I

L

L

M

N
|
N

P

P

S

G

K

K

M

V

binding flavin-adenine dinucleotide: P68 (= P68), G70 (= G70), T71 (≠ A71), G72 (= G72), T73 (≠ S73), G74 (= G74), G78 (= G78), V79 (≠ A79), L90 (≠ F90), P132 (= P133), G133 (≠ A134), A134 (≠ S135), G140 (= G143), M141 (≠ N144), A143 (≠ N146), T144 (≠ E147), A146 (= A149), S147 (≠ G150), E200 (= E200), G201 (= G201), I206 (≠ T206), W322 (vs. gap), E413 (= E417), H414 (= H418), N450 (= N454)
binding lactic acid: R318 (= R324), H369 (= H373), H376 (= H380), H414 (= H418)
binding manganese (ii) ion: H369 (= H373), H376 (= H380), E413 (= E417)

8jdsA Crystal structure of mldhd in complex with pyruvate (see paper)
31% identity, 99% coverage: 2:458/461 of query aligns to 1:455/456 of 8jdsA

query
sites
8jdsA

L

L

S

S

T

Q

H

D

A

F

L

V

D

E

F

A

F

L

T

K

T

A

L

V

L

V

G

G

K

S

E

P

N

H

V

V

Y

S

S

T

D

A

K

S

A

A

H

V

L

R

I

E

A

Q

Y

H

S

G

Y

H

D

D

A
x
E

T

S

R

M

E

H

R

R

F

C

E

Q

P

P

-

P

E

D

A

A

V

V

L

V

F

W

P

P

R

Q

H

N

E

V

Q

D

D

Q

V

V

S

S

D

R

I

V

L

A

K

S

Y

L

C

C

N

Y

E

N

H

Q

K

G

I

V

V

P

I

I

V

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

S
x
T

G
|
G

F

V

T

E

G

G

G
|
G

A
x
V

L

C

P

A

A

V

N

Q

G

G

G

G

I

V

V

C

L

I

A

N

F
x
L

E

-

K

T

H

H

M

M

N

D

K

Q

I

I

L

T

E

E

I

L

D

N

M

T

Q

E

N

D

M

F

V

S

A

V

V

V

V

V

Q

E

P

P

G

G

V

V

V

T

N

R

M

K

E

A

L

L

Q

N

R

T

A

H

V

L

E

R

E

D

V

S

G

G

L

L

F

W

Y

F

P

P

P

V

D

D

P
|
P

A
x
G

S
x
A

Q

D

E

-

Y

-

S

A

T

S

I

L

G

C

G
|
G

N
x
M

V

A

N
x
A

E
x
T

N

G

A
|
A

G
x
S

G

G

M

T

R

N

A

A

A

V

K

R

Y

Y

G

G

I

T

T

M

K

R

D

D

Y

N

V

V

M

I

A

N

I

L

R

E

A

V

V

V

L

L

P

P

N

D

G

G

D

R

I

L

I

L

K

H

A

T

-

A

-

G

-

R

G

G

K

R

K

H

T

Y

I

R

K

K

D

S

V

A

A

A

G

G

Y

Y

N

N

I

L

A

T

G

G

I

L

L

F

I

V

A

G

S

S

E
|
E

G
|
G

T

T

L

L

A

G

V

I

T
x
I

T

T

E

S

V

T

T

T

L

L

K

R

L

L

L

H

S

P

K

A

P

P

K

E

M

A

T

T

K

V

T

A

A

A

M

T

G

C

I

A

F

F

P

P

T

S

V

V

H

Q

S

A

A

A

M

V

E

D

A

S

V

T

Y

V

K

Q

T

I

M

L

A

Q

S

A

G

A

V

V

T

P

P

V

V

A

A

R

M

I

E

E

F

F

L

L

D

D

N

D

L

V

T

M

I

M

R

D

A

A

V

C

E

N

Q

R

T

-

Y

-

H

H

K

S

G

K

L

L

P

N

V

C

E

P

A

V

G

A

A

P

I

T

L

L

V

F

T

L

D

E

V

F

D

H

G

G

N

S

L

-

E

Q

E

Q

D

T

L

L

D

A

F

E

Q

Q

L

L

D

Q

V

R

I

T

G

E

R

A

V

I

F

T

R

Q

E

D

N

N

G

G

C

G

S

S

D

H

F

F

H

S

I

W

A

A

Q

A

N

E

K

K

Q

R

E

-

A

-

S

N

D

E

L

L

W

W

F

A

A

A

R
|
R

R

H

N

N

A

A

-
x
W

-

Y

-

A

S

A

Q

L

S

A

L

L

S

S

V

-

Y

P

G

G

S

S

K

K

K

A

L

Y

N

S

E

T

D

D

V

V

T

C

V

V

P

P

R

I

S

S

A

R

L

L

P

P

A

E

L

I

L

L

D

V

Q

E

F

T

Y

K

K

E

I

E

A

I

D

K

K

A

Y

S

N

K

I

L

K

T

I

G

P

A

C

I

F

V

G

G

H
|
H

T

V

G

G

D

D

G

G

N

N

V

F

H
|
H

T

C

N

I

V

L

M

L

V

V

D

D

G

P

K

D

D

D

P

A

E

E

Q

E

V

Q

K

R

I

R

G

V

Y

K

K

A

A

F

I

A

E

E

E

N

V

L

F

G

Q

R

A

R

T

A

I

L

D

A

L

L

G

G

G

G

T

T

L

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

L

L

A

G

K

K

A

R

P

Q

Y

L

M

L

G

Q

M

E

A

E

F

V

T

G

P

P

E

V

E

G

M

V

A

E

L

T

F

M

Q

R

S

Q

I

L

K

K

R

N

A

T

F

L

D

D

P

P

N

R

N

G

I

L

L

M

N
|
N

P

P

S

G

K

K

M

V

binding flavin-adenine dinucleotide: E32 (≠ A33), P68 (= P68), G70 (= G70), T71 (≠ A71), G72 (= G72), T73 (≠ S73), G74 (= G74), G78 (= G78), V79 (≠ A79), L90 (≠ F90), P132 (= P133), G133 (≠ A134), A134 (≠ S135), G140 (= G143), M141 (≠ N144), A143 (≠ N146), T144 (≠ E147), A146 (= A149), S147 (≠ G150), E200 (= E200), G201 (= G201), I206 (≠ T206), W323 (vs. gap), E414 (= E417), H415 (= H418), N451 (= N454)
binding manganese (ii) ion: H370 (= H373), H377 (= H380), E414 (= E417)
binding pyruvic acid: R319 (= R324), H370 (= H373), H377 (= H380), H415 (= H418)

8jdpA Crystal structure of h405a mldhd in complex with d-2-hydroxyisovaleric acid (see paper)
30% identity, 99% coverage: 2:458/461 of query aligns to 1:454/455 of 8jdpA

query
sites
8jdpA

L

L

S

S

T

Q

H

D

A

F

L

V

D

E

F

A

F

L

T

K

T

A

L

V

L

V

G

G

K

S

E

P

N

H

V

V

Y

S

S

T

D

A

K

S

A

A

H

V

L

R

I

E

A

Q

Y

H

S

G

Y

H

D

D

A

E

T

S

R

M

E

H

R

R

F

C

E

Q

P

P

-

P

E

D

A

A

V

V

L

V

F

W

P

P

R

Q

H

N

E

V

Q

D

D

Q

V

V

S

S

D

R

I

V

L

A

K

S

Y

L

C

C

N

Y

E

N

H

Q

K

G

I

V

V

P

I

I

V

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

S
x
T

G
|
G

F

V

T

E

G

G

G
|
G

A
x
V

L

C

P

A

A

V

N

Q

G

G

G

G

I

V

V

C

L

I

A

N

F
x
L

E

-

K

T

H

H

M

M

N

D

K

Q

I

I

L

T

E

E

I

L

D

N

M

T

Q

E

N

D

M

F

V

S

A

V

V

V

V

V

Q

E

P

P

G

G

V

V

V

T

N

R

M

K

E

A

L

L

Q

N

R

T

A

H

V

L

E

R

E

D

V

S

G

G

L

L

F

W

Y

F

P

P

P

V

D

D

P
|
P

A
x
G

S
x
A

Q

D

E

-

Y

-

S

A

T

S

I

L

G

C

G
|
G

N
x
M

V

A

N
x
A

E
x
T

N

G

A
|
A

G
x
S

G

G

M

T

R

N

A

A

A

V

K

R

Y

Y

G

G

I

T

T

M

K

R

D

D

Y

N

V

V

M

I

A

N

I

L

R

E

A

V

V

V

L

L

P

P

N

D

G

G

D

R

I

L

I

L

K

H

A

T

-

A

-

G

-

R

G

G

K

R

K

H

T

Y

I

R

K

K

D

S

V

A

A

A

G

G

Y

Y

N

N

I

L

A

T

G

G

I

L

L

F

I

V

A

G

S

S

E
|
E

G
|
G

T

T

L

L

A

G

V

I

T
x
I

T

T

E

S

V

T

T

T

L

L

K

R

L

L

L

H

S

P

K

A

P

P

K

E

M

A

T

T

K

V

T

A

A

A

M

T

G

C

I

A

F

F

P

P

T

S

V

V

H

Q

S

A

A

A

M

V

E

D

A

S

V

T

Y

V

K

Q

T

I

M

L

A

Q

S

A

G

A

V

V

T

P

P

V

V

A

A

R

M

I

E

E

F

F

L

L

D

D

N

D

L

V

T

M

I

M

R

D

A

A

V

C

E

N

Q

R

T

-

Y

-

H

H

K

S

G

K

L

L

P

N

V

C

E

P

A

V

G

A

A

P

I

T

L

L

V

F

T

L

D

E

V

F

D

H

G

G

N

S

L

-

E

Q

E

Q

D

T

L

L

D

A

F

E

Q

Q

L

L

D

Q

V

R

I

T

G

E

R

A

V

I

F

T

R

Q

E

D

N

N

G

G

C

G

S

S

D

H

F

F

H

S

I

W

A

A

Q

A

N

E

K

K

Q

R

E

-

A

-

S

N

D

E

L

L

W

W

F

A

A

A

R
|
R

R

H

N

N

A

A

S

W

-

Y

Q

A

S

A

L

L

S

A

V

L

Y

S

G

P

S

S

K

K

K

A

L

Y

N

S

E

T

D

D

V

V

T

C

V

V

P

P

R

I

S

S

A

R

L

L

P

P

A

E

L

I

L

L

D

V

Q

E

F

T

Y

K

K

E

I

E

A

I

D

K

K

A

Y

S

N

K

I

L

K

T

I

G

P

A

C

I

F

V

G

G

H
|
H

T

V

G

G

D

D

G

G

N

N

V

F

H

A

T

C

N

I

V

L

M

L

V

V

D

D

G

P

K

D

D

D

P

A

E

E

Q

E

V

Q

K

R

I

R

G

V

Y

K

K

A

A

F

I

A

E

E

E

N

V

L

F

G

Q

R

A

R

T

A

I

L

D

A

L

L

G

G

G

G

T

T

L

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

L

L

A

G

K

K

A

R

P

Q

Y

L

M

L

G

Q

M

E

A

E

F

V

T

G

P

P

E

V

E

G

M

V

A

E

L

T

F

M

Q

R

S

Q

I

L

K

K

R

N

A

T

F

L

D

D

P

P

N

R

N

G

I

L

L

M

N
|
N

P

P

S

G

K

K

M

V

binding flavin-adenine dinucleotide: P68 (= P68), G70 (= G70), T71 (≠ A71), G72 (= G72), T73 (≠ S73), G74 (= G74), G78 (= G78), V79 (≠ A79), L90 (≠ F90), P132 (= P133), G133 (≠ A134), A134 (≠ S135), G140 (= G143), M141 (≠ N144), A143 (≠ N146), T144 (≠ E147), A146 (= A149), S147 (≠ G150), E200 (= E200), G201 (= G201), I206 (≠ T206), H369 (= H373), E413 (= E417), N450 (= N454)
binding deaminohydroxyvaline: R319 (= R324), H414 (= H418)

8jdvA Crystal structure of mldhd in complex with 2-ketohexanoic acid (see paper)
30% identity, 99% coverage: 2:458/461 of query aligns to 1:453/454 of 8jdvA

query
sites
8jdvA

L

L

S

S

T

Q

H

D

A

F

L

V

D

E

F

A

F

L

T

K

T

A

L

V

L

V

G

G

K

S

E

P

N

H

V

V

Y

S

S

T

D

A

K

S

A

A

H

V

L

R

I

E

A

Q

Y

H

S

G

Y

H

D

D

A

E

T

S

R

M

E

H

R

R

F

C

E

Q

P

P

-

P

E

D

A

A

V

V

L

V

F

W

P

P

R

Q

H

N

E

V

Q

D

D

Q

V

V

S

S

D

R

I

V

L

A

K

S

Y

L

C

C

N

Y

E

N

H

Q

K

G

I

V

V

P

I

I

V

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

S
x
T

G
|
G

F
x
V

T

E

G

G

G
|
G

A
x
V

L

C

P

A

A

V

N

Q

G

G

G

G

I

V

V

C

L

I

A

N

F
x
L

E

-

K

T

H

H

M

M

N

D

K

Q

I

I

L

T

E

E

I

L

D

N

M

T

Q

E

N

D

M

F

V

S

A

V

V

V

V

V

Q

E

P

P

G

G

V

V

V

T

N

R

M

K

E

A

L

L

Q

N

R

T

A

H

V

L

E

R

E

D

V

S

G

G

L

L

F

W

Y

F

P

P

P

V

D

D

P
|
P

A
x
G

S
x
A

Q

D

E

-

Y

-

S

A

T

S

I

L

G

C

G
|
G

N
x
M

V

A

N
x
A

E
x
T

N

G

A
|
A

G
x
S

G

G

M

T

R

N

A

A

A

V

K

R

Y

Y

G

G

I

T

T

M

K

R

D

D

Y

N

V

V

M

I

A

N

I

L

R

E

A

V

V

V

L

L

P

P

N

D

G

G

D

R

I

L

I

L

K

H

A

T

-

A

-

G

-

R

G

G

K

R

K

H

T

Y

I

R

K

K

D

S

V

A

A

A

G

G

Y

Y

N

N

I

L

A

T

G

G

I

L

L

F

I

V

A

G

S

S

E
|
E

G
|
G

T

T

L

L

A

G

V

I

T
x
I

T

T

E

S

V

T

T

T

L

L

K

R

L

L

L

H

S

P

K

A

P

P

K

E

M

A

T

T

K

V

T

A

A

A

M

T

G

C

I

A

F

F

P

P

T

S

V

V

H

Q

S

A

A

A

M

V

E

D

A

S

V

T

Y

V

K

Q

T

I

M

L

A

Q

S

A

G

A

V

V

T

P

P

V

V

A

A

R

M

I

E

E

F

F

L

L

D

D

N

D

L

V

T

M

I

M

R

D

A

A

V

C

E

N

Q

R

T

-

Y

-

H

H

K

S

G

K

L

L

P

N

V

C

E

P

A

V

G

A

A

P

I

T

L

L

V

F

T

L

D

E

V

F

D

H

G

G

N

S

L

-

E

Q

E

Q

D

T

L

L

D

A

F

E

Q

Q

L

L

D

Q

V

R

I

T

G

E

R

A

V

I

F

T

R

Q

E

D

N

N

G

G

C

G

S

S

D

H

F

F

H

-

I

-

A

-

Q

-

N

S

K

A

Q

E

E

K

A

R

S

N

D

E

L

L

W

W

F

A

A

A

R
|
R

R

H

N

N

A

A

-
x
W

-
x
Y

-

A

S

A

Q

L

S

A

L

L

S

S

V

-

Y

P

G

G

S

S

K

K

K

A

L

Y

N

S

E

T

D

D

V

V

T

C

V

V

P

P

R

I

S

S

A

R

L

L

P

P

A

E

L

I

L

L

D

V

Q

E

F

T

Y

K

K

E

I

E

A

I

D

K

K

A

Y

S

N

K

I

L

K

T

I

G

P

A

C

I

F

V

G

G

H
|
H

T

V

G

G

D

D

G

G

N

N

V

F

H
|
H

T

C

N

I

V

L

M

L

V

V

D

D

G

P

K

D

D

D

P

A

E

E

Q

E

V

Q

K

R

I

R

G

V

Y

K

K

A

A

F

I

A

E

E

E

N

V

L

F

G

Q

R

A

R

T

A

I

L

D

A

L

L

G

G

G

G

T

T

L

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

L

L

A

G

K

K

A

R

P

Q

Y

L

M

L

G

Q

M

E

A

E

F

V

T

G

P

P

E

V

E

G

M

V

A

E

L

T

F

M

Q

R

S

Q

I

L

K

K

R

N

A

T

F

L

D

D

P

P

N

R

N

G

I

L

L

M

N
|
N

P

P

S

G

K

K

M

V

binding 2-Ketohexanoic acid: V75 (≠ F75), R317 (= R324), W321 (vs. gap), H368 (= H373), H375 (= H380), H413 (= H418)
binding flavin-adenine dinucleotide: P68 (= P68), G70 (= G70), T71 (≠ A71), G72 (= G72), T73 (≠ S73), G74 (= G74), G78 (= G78), V79 (≠ A79), L90 (≠ F90), P132 (= P133), G133 (≠ A134), A134 (≠ S135), G140 (= G143), M141 (≠ N144), A143 (≠ N146), T144 (≠ E147), A146 (= A149), S147 (≠ G150), E200 (= E200), G201 (= G201), I206 (≠ T206), W321 (vs. gap), Y322 (vs. gap), E412 (= E417), H413 (= H418), N449 (= N454)
binding manganese (ii) ion: H368 (= H373), H375 (= H380), E412 (= E417)

8jdxA Crystal structure of mldhd in complex with 2-ketoisovaleric acid (see paper)
30% identity, 99% coverage: 2:458/461 of query aligns to 1:454/455 of 8jdxA

query
sites
8jdxA

L

L

S

S

T

Q

H

D

A

F

L

V

D

E

F

A

F

L

T

K

T

A

L

V

L

V

G

G

K

S

E

P

N

H

V

V

Y

S

S

T

D

A

K

S

A

A

H

V

L

R

I

E

A

Q

Y

H

S

G

Y

H

D

D

A
x
E

T

S

R

M

E

H

R

R

F

C

E

Q

P

P

-

P

E

D

A

A

V

V

L

V

F

W

P

P

R

Q

H

N

E

V

Q

D

D

Q

V

V

S

S

D

R

I

V

L

A

K

S

Y

L

C

C

N

Y

E

N

H

Q

K

G

I

V

V

P

I

I

V

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

S
x
T

G
|
G

F

V

T

E

G

G

G
|
G

A
x
V

L

C

P

A

A

V

N

Q

G

G

G

G

I

V

V

C

L

I

A

N

F
x
L

E

-

K

T

H

H

M

M

N

D

K

Q

I

I

L

T

E

E

I

L

D

N

M

T

Q

E

N

D

M

F

V

S

A

V

V

V

V

V

Q

E

P

P

G

G

V

V

V

T

N

R

M

K

E

A

L

L

Q

N

R

T

A

H

V

L

E

R

E

D

V

S

G

G

L

L

F

W

Y

F

P

P

P

V

D

D

P
|
P

A
x
G

S
x
A

Q

D

E

-

Y

-

S

A

T

S

I

L

G

C

G
|
G

N
x
M

V

A

N
x
A

E
x
T

N

G

A
|
A

G
x
S

G

G

M

T

R

N

A

A

A

V

K

R

Y

Y

G

G

I

T

T

M

K

R

D

D

Y

N

V

V

M

I

A

N

I

L

R

E

A

V

V

V

L

L

P

P

N

D

G

G

D

R

I

L

I

L

K

H

A

T

-

A

-

G

-

R

G

G

K

R

K

H

T

Y

I

R

K

K

D

S

V

A

A

A

G

G

Y

Y

N

N

I

L

A

T

G

G

I

L

L

F

I

V

A

G

S

S

E
|
E

G
|
G

T

T

L

L

A

G

V

I

T
x
I

T

T

E

S

V

T

T

T

L

L

K

R

L

L

L

H

S

P

K

A

P

P

K

E

M

A

T

T

K

V

T

A

A

A

M

T

G

C

I

A

F

F

P

P

T

S

V

V

H

Q

S

A

A

A

M

V

E

D

A

S

V

T

Y

V

K

Q

T

I

M

L

A

Q

S

A

G

A

V

V

T

P

P

V

V

A

A

R

M

I

E

E

F

F

L

L

D

D

N

D

L

V

T

M

I

M

R

D

A

A

V

C

E

N

Q

R

T

-

Y

-

H

-

K

H

G

S

L

L

P

N

V

C

E

P

A

V

G

A

A

P

I

T

L

L

V

F

T

L

D

E

V

F

D

H

G

G

N

S

L

-

E

Q

E

Q

D

T

L

L

D

A

F

E

Q

Q

L

L

D

Q

V

R

I

T

G

E

R

A

V

I

F

T

R

Q

E

D

N

N

G

G

C

G

S

S

D

H

F

F

H

S

I

W

A

A

Q

A

N

E

K

K

Q

R

E

-

A

-

S

N

D

E

L

L

W

W

F

A

A

A

R
|
R

R

H

N

N

A

A

-
x
W

-

Y

-

A

S

A

Q

L

S

A

L

L

S

S

V

-

Y

P

G

G

S

S

K

K

K

A

L

Y

N

S

E

T

D

D

V

V

T

C

V

V

P

P

R

I

S

S

A

R

L

L

P

P

A

E

L

I

L

L

D

V

Q

E

F

T

Y

K

K

E

I

E

A

I

D

K

K

A

Y

S

N

K

I

L

K

T

I

G

P

A

C

I

F

V

G

G

H
|
H

T

V

G

G

D

D

G

G

N

N

V

F

H
|
H

T

C

N

I

V

L

M

L

V

V

D

D

G

P

K

D

D

D

P

A

E

E

Q

E

V

Q

K

R

I

R

G

V

Y

K

K

A

A

F

I

A

E

E

E

N

V

L

F

G

Q

R

A

R

T

A

I

L

D

A

L

L

G

G

G

G

T

T

L

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

L

L

A

G

K

K

A

R

P

Q

Y

L

M

L

G

Q

M

E

A

E

F

V

T

G

P

P

E

V

E

G

M

V

A

E

L

T

F

M

Q

R

S

Q

I

L

K

K

R

N

A

T

F

L

D

D

P

P

N

R

N

G

I

L

L

M

N
|
N

P

P

S

G

K

K

M

V

binding flavin-adenine dinucleotide: E32 (≠ A33), P68 (= P68), G70 (= G70), T71 (≠ A71), G72 (= G72), T73 (≠ S73), G74 (= G74), G78 (= G78), V79 (≠ A79), L90 (≠ F90), P132 (= P133), G133 (≠ A134), A134 (≠ S135), G140 (= G143), M141 (≠ N144), A143 (≠ N146), T144 (≠ E147), A146 (= A149), S147 (≠ G150), E200 (= E200), G201 (= G201), I206 (≠ T206), W322 (vs. gap), E413 (= E417), H414 (= H418), N450 (= N454)
binding 3-methyl-2-oxobutanoic acid: R318 (= R324), H369 (= H373), H376 (= H380), H414 (= H418)
binding manganese (ii) ion: H369 (= H373), H376 (= H380), E413 (= E417)

8jdrA Crystal structure of h405a mldhd in complex with d-2-hydroxy-3-methyl- valeric acid (see paper)
30% identity, 99% coverage: 2:458/461 of query aligns to 1:455/456 of 8jdrA

query
sites
8jdrA

L

L

S

S

T

Q

H

D

A

F

L

V

D

E

F

A

F

L

T

K

T

A

L

V

L

V

G

G

K

S

E

P

N

H

V

V

Y

S

S

T

D

A

K

S

A

A

H

V

L

R

I

E

A

Q

Y

H

S

G

Y

H

D

D

A

E

T

S

R

M

E

H

R

R

F

C

E

Q

P

P

-

P

E

D

A

A

V

V

L

V

F

W

P

P

R

Q

H

N

E

V

Q

D

D

Q

V

V

S

S

D

R

I

V

L

A

K

S

Y

L

C

C

N

Y

E

N

H

Q

K

G

I

V

V

P

I

I

V

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

S
x
T

G
|
G

F

V

T

E

G

G

G
|
G

A
x
V

L

C

P

A

A

V

N

Q

G

G

G

G

I

V

V

C

L

I

A

N

F
x
L

E

-

K

T

H

H

M

M

N

D

K

Q

I

I

L

T

E

E

I

L

D

N

M

T

Q

E

N

D

M

F

V

S

A

V

V

V

V

V

Q

E

P

P

G

G

V

V

V

T

N

R

M

K

E

A

L

L

Q

N

R

T

A

H

V

L

E

R

E

D

V

S

G

G

L

L

F

W

Y

F

P

P

P

V

D

D

P
|
P

A
x
G

S
x
A

Q

D

E

-

Y

-

S

A

T

S

I

L

G

C

G
|
G

N
x
M

V

A

N
x
A

E
x
T

N

G

A
|
A

G
x
S

G

G

M

T

R

N

A

A

A

V

K

R

Y

Y

G

G

I

T

T

M

K

R

D

D

Y

N

V

V

M

I

A

N

I

L

R

E

A

V

V

V

L

L

P

P

N

D

G

G

D

R

I

L

I

L

K

H

A

T

-

A

-

G

-

R

G

G

K

R

K

H

T

Y

I

R

K

K

D

S

V

A

A

A

G

G

Y

Y

N

N

I

L

A

T

G

G

I

L

L

F

I

V

A

G

S

S

E
|
E

G
|
G

T

T

L

L

A

G

V

I

T
x
I

T

T

E

S

V

T

T

T

L

L

K

R

L

L

L

H

S

P

K

A

P

P

K

E

M

A

T

T

K

V

T

A

A

A

M

T

G

C

I

A

F

F

P

P

T

S

V

V

H

Q

S

A

A

A

M

V

E

D

A

S

V

T

Y

V

K

Q

T

I

M

L

A

Q

S

A

G

A

V

V

T

P

P

V

V

A

A

R

M

I

E

E

F

F

L

L

D

D

N

D

L

V

T

M

I

M

R

D

A

A

V

C

E

N

Q

R

T

-

Y

-

H

H

K

S

G

K

L

L

P

N

V

C

E

P

A

V

G

A

A

P

I

T

L

L

V

F

T

L

D

E

V

F

D

H

G

G

N

S

L

-

E

Q

E

Q

D

T

L

L

D

A

F

E

Q

Q

L

L

D

Q

V

R

I

T

G

E

R

A

V

I

F

T

R

Q

E

D

N

N

G

G

C

G

S

S

D

H

F

F

H

S

I

W

A

A

Q

A

N

E

K

K

Q

R

E

-

A

-

S

N

D

E

L

L

W

W

F

A

A

A

R
|
R

R

H

N

N

-

A

-
x
W

-
x
Y

A

A

S

A

Q

L

S

A

L

L

S

S

V

-

Y

P

G

G

S

S

K

K

K

A

L

Y

N

S

E

T

D

D

V

V

T

C

V

V

P

P

R

I

S

S

A

R

L

L

P

P

A

E

L

I

L

L

D

V

Q

E

F

T

Y

K

K

E

I

E

A

I

D

K

K

A

Y

S

N

K

I

L

K

T

I

G

P

A

C

I

F

V

G

G

H
|
H

T

V

G

G

D

D

G

G

N

N

V

F

H

A

T

C

N

I

V

L

M

L

V

V

D

D

G

P

K

D

D

D

P

A

E

E

Q

E

V

Q

K

R

I

R

G

V

Y

K

K

A

A

F

I

A

E

E

E

N

V

L

F

G

Q

R

A

R

T

A

I

L

D

A

L

L

G

G

G

G

T

T

L

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

L

L

A

G

K

K

A

R

P

Q

Y

L

M

L

G

Q

M

E

A

E

F

V

T

G

P

P

E

V

E

G

M

V

A

E

L

T

F

M

Q

R

S

Q

I

L

K

K

R

N

A

T

F

L

D

D

P

P

N

R

N

G

I

L

L

M

N
|
N

P

P

S

G

K

K

M

V

binding flavin-adenine dinucleotide: P68 (= P68), G70 (= G70), T71 (≠ A71), G72 (= G72), T73 (≠ S73), G74 (= G74), G78 (= G78), V79 (≠ A79), L90 (≠ F90), P132 (= P133), G133 (≠ A134), A134 (≠ S135), G140 (= G143), M141 (≠ N144), A143 (≠ N146), T144 (≠ E147), A146 (= A149), S147 (≠ G150), E200 (= E200), G201 (= G201), I206 (≠ T206), Y324 (vs. gap), H370 (= H373), E414 (= E417), N451 (= N454)
binding (2R,3S)-3-methyl-2-oxidanyl-pentanoic acid: R319 (= R324), W323 (vs. gap), H415 (= H418)

8jdqA Crystal structure of h405a mldhd in complex with d-2-hydroxyisocaproic acid (see paper)
30% identity, 99% coverage: 2:458/461 of query aligns to 1:455/456 of 8jdqA

query
sites
8jdqA

L

L

S

S

T

Q

H

D

A

F

L

V

D

E

F

A

F

L

T

K

T

A

L

V

L

V

G

G

K

S

E

P

N

H

V

V

Y

S

S

T

D

A

K

S

A

A

H

V

L

R

I

E

A

Q

Y

H

S

G

Y

H

D

D

A

E

T

S

R

M

E

H

R

R

F

C

E

Q

P

P

-

P

E

D

A

A

V

V

L

V

F

W

P

P

R

Q

H

N

E

V

Q

D

D

Q

V

V

S

S

D

R

I

V

L

A

K

S

Y

L

C

C

N

Y

E

N

H

Q

K

G

I

V

V

P

I

I

V

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

S
x
T

G
|
G

F

V

T

E

G

G

G
|
G

A
x
V

L

C

P

A

A

V

N

Q

G

G

G

G

I

V

V

C

L

I

A

N

F
x
L

E

-

K

T

H

H

M

M

N

D

K

Q

I

I

L

T

E

E

I

L

D

N

M

T

Q

E

N

D

M

F

V

S

A

V

V

V

V

V

Q

E

P

P

G

G

V

V

V

T

N

R

M

K

E

A

L

L

Q

N

R

T

A

H

V

L

E

R

E

D

V

S

G

G

L

L

F

W

Y

F

P

P

P

V

D

D

P
|
P

A
x
G

S
x
A

Q

D

E

-

Y

-

S

A

T

S

I

L

G

C

G
|
G

N
x
M

V

A

N
x
A

E
x
T

N

G

A
|
A

G
x
S

G

G

M

T

R

N

A

A

A

V

K

R

Y

Y

G

G

I

T

T

M

K

R

D

D

Y

N

V

V

M

I

A

N

I

L

R

E

A

V

V

V

L

L

P

P

N

D

G

G

D

R

I

L

I

L

K

H

A

T

-

A

-

G

-

R

G

G

K

R

K

H

T

Y

I

R

K

K

D

S

V

A

A

A

G

G

Y

Y

N

N

I

L

A

T

G

G

I

L

L

F

I

V

A

G

S

S

E
|
E

G
|
G

T

T

L

L

A

G

V

I

T
x
I

T

T

E

S

V

T

T

T

L

L

K

R

L

L

L

H

S

P

K

A

P

P

K

E

M

A

T

T

K

V

T

A

A

A

M

T

G

C

I

A

F

F

P

P

T

S

V

V

H

Q

S

A

A

A

M

V

E

D

A

S

V

T

Y

V

K

Q

T

I

M

L

A

Q

S

A

G

A

V

V

T

P

P

V

V

A

A

R

M

I

E

E

F

F

L

L

D

D

N

D

L

V

T

M

I

M

R

D

A

A

V

C

E

N

Q

R

T

-

Y

-

H

H

K

S

G

K

L

L

P

N

V

C

E

P

A

V

G

A

A

P

I

T

L

L

V

F

T

L

D

E

V

F

D

H

G

G

N

S

L

-

E

Q

E

Q

D

T

L

L

D

A

F

E

Q

Q

L

L

D

Q

V

R

I

T

G

E

R

A

V

I

F

T

R

Q

E

D

N

N

G

G

C

G

S

S

D

H

F

F

H

S

I

W

A

A

Q

A

N

E

K

K

Q

R

E

-

A

-

S

N

D

E

L

L

W

W

F

A

A

A

R
|
R

R

H

N

N

-

A

-
x
W

-

Y

A

A

S

A

Q

L

S

A

L

L

S

S

V

-

Y

P

G

G

S

S

K

K

K

A

L

Y

N

S

E

T

D

D

V

V

T

C

V

V

P

P

R

I

S

S

A

R

L

L

P

P

A

E

L

I

L

L

D

V

Q

E

F

T

Y

K

K

E

I

E

A

I

D

K

K

A

Y

S

N

K

I

L

K

T

I

G

P

A

C

I

F

V

G

G

H
|
H

T

V

G

G

D

D

G

G

N

N

V

F

H

A

T

C

N

I

V

L

M

L

V

V

D

D

G

P

K

D

D

D

P

A

E

E

Q

E

V

Q

K

R

I

R

G

V

Y

K

K

A

A

F

I

A

E

E

E

N

V

L

F

G

Q

R

A

R

T

A

I

L

D

A

L

L

G

G

G

G

T

T

L

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

L

L

A

G

K

K

A

R

P

Q

Y

L

M

L

G

Q

M

E

A

E

F

V

T

G

P

P

E

V

E

G

M

V

A

E

L

T

F

M

Q

R

S

Q

I

L

K

K

R

N

A

T

F

L

D

D

P

P

N

R

N

G

I

L

L

M

N
|
N

P

P

S

G

K

K

M

V

binding (2R)-2-hydroxy-4-methylpentanoic acid: R319 (= R324), W323 (vs. gap), H370 (= H373), H415 (= H418)
binding flavin-adenine dinucleotide: P68 (= P68), G70 (= G70), T71 (≠ A71), G72 (= G72), T73 (≠ S73), G74 (= G74), G78 (= G78), V79 (≠ A79), L90 (≠ F90), P132 (= P133), G133 (≠ A134), A134 (≠ S135), G140 (= G143), M141 (≠ N144), A143 (≠ N146), T144 (≠ E147), A146 (= A149), S147 (≠ G150), E200 (= E200), G201 (= G201), I206 (≠ T206), H370 (= H373), E414 (= E417), N451 (= N454)

8jdoA Crystal structure of h405a mldhd in complex with d-2-hydroxyhexanoic acid (see paper)
30% identity, 99% coverage: 2:458/461 of query aligns to 1:455/456 of 8jdoA

query
sites
8jdoA

L

L

S

S

T

Q

H

D

A

F

L

V

D

E

F

A

F

L

T

K

T

A

L

V

L

V

G

G

K

S

E

P

N

H

V

V

Y

S

S

T

D

A

K

S

A

A

H

V

L

R

I

E

A

Q

Y

H

S

G

Y

H

D

D

A

E

T

S

R

M

E

H

R

R

F

C

E

Q

P

P

-

P

E

D

A

A

V

V

L

V

F

W

P

P

R

Q

H

N

E

V

Q

D

D

Q

V

V

S

S

D

R

I

V

L

A

K

S

Y

L

C

C

N

Y

E

N

H

Q

K

G

I

V

V

P

I

I

V

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

S
x
T

G
|
G

F

V

T

E

G

G

G
|
G

A
x
V

L

C

P

A

A

V

N

Q

G

G

G

G

I

V

V

C

L

I

A

N

F
x
L

E

-

K

T

H

H

M

M

N

D

K

Q

I

I

L

T

E

E

I

L

D

N

M

T

Q

E

N

D

M

F

V

S

A

V

V

V

V

V

Q

E

P

P

G

G

V

V

V

T

N

R

M

K

E

A

L

L

Q

N

R

T

A

H

V

L

E

R

E

D

V

S

G

G

L

L

F

W

Y

F

P

P

P

V

D

D

P
|
P

A
x
G

S
x
A

Q

D

E

-

Y

-

S

A

T

S

I

L

G

C

G
|
G

N
x
M

V

A

N
x
A

E
x
T

N

G

A
|
A

G
x
S

G

G

M

T

R

N

A

A

A

V

K

R

Y

Y

G

G

I

T

T

M

K

R

D

D

Y

N

V

V

M

I

A

N

I

L

R

E

A

V

V

V

L

L

P

P

N

D

G

G

D

R

I

L

I

L

K

H

A

T

-

A

-

G

-

R

G

G

K

R

K

H

T

Y

I

R

K

K

D

S

V

A

A

A

G

G

Y

Y

N

N

I

L

A

T

G

G

I

L

L

F

I

V

A

G

S

S

E
|
E

G
|
G

T

T

L

L

A

G

V

I

T
x
I

T

T

E

S

V

T

T

T

L

L

K

R

L

L

L

H

S

P

K

A

P

P

K

E

M

A

T

T

K

V

T

A

A

A

M

T

G

C

I

A

F

F

P

P

T

S

V

V

H

Q

S

A

A

A

M

V

E

D

A

S

V

T

Y

V

K

Q

T

I

M

L

A

Q

S

A

G

A

V

V

T

P

P

V

V

A

A

R

M

I

E

E

F

F

L

L

D

D

N

D

L

V

T

M

I

M

R

D

A

A

V

C

E

N

Q

R

T

-

Y

-

H

H

K

S

G

K

L

L

P

N

V

C

E

P

A

V

G

A

A

P

I

T

L

L

V

F

T

L

D

E

V

F

D

H

G

G

N

S

L

-

E

Q

E

Q

D

T

L

L

D

A

F

E

Q

Q

L

L

D

Q

V

R

I

T

G

E

R

A

V

I

F

T

R

Q

E

D

N

N

G

G

C

G

S

S

D

H

F

F

H

S

I

W

A

A

Q

A

N

E

K

K

Q

R

E

-

A

-

S

N

D

E

L

L

W

W

F

A

A

A

R
|
R

R

H

N

N

-

A

-
x
W

-
x
Y

A

A

S

A

Q

L

S

A

L

L

S

S

V

-

Y

P

G

G

S

S

K

K

K

A

L

Y

N

S

E

T

D

D

V

V

T

C

V

V

P

P

R

I

S

S

A

R

L

L

P

P

A

E

L

I

L

L

D

V

Q

E

F

T

Y

K

K

E

I

E

A

I

D

K

K

A

Y

S

N

K

I

L

K

T

I

G

P

A

C

I

F

V

G

G

H
|
H

T

V

G

G

D

D

G

G

N

N

V

F

H

A

T

C

N

I

V

L

M

L

V

V

D

D

G

P

K

D

D

D

P

A

E

E

Q

E

V

Q

K

R

I

R

G

V

Y

K

K

A

A

F

I

A

E

E

E

N

V

L

F

G

Q

R

A

R

T

A

I

L

D

A

L

L

G

G

G

G

T

T

L

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

L

L

A

G

K

K

A

R

P

Q

Y

L

M

L

G

Q

M

E

A

E

F

V

T

G

P

P

E

V

E

G

M

V

A

E

L

T

F

M

Q

R

S

Q

I

L

K

K

R

N

A

T

F

L

D

D

P

P

N

R

N

G

I

L

L

M

N
|
N

P

P

S

G

K

K

M

V

binding (2R)-2-hydroxyhexanoic acid: R319 (= R324), W323 (vs. gap), H415 (= H418)
binding flavin-adenine dinucleotide: P68 (= P68), G70 (= G70), T71 (≠ A71), G72 (= G72), T73 (≠ S73), G74 (= G74), G78 (= G78), V79 (≠ A79), L90 (≠ F90), P132 (= P133), G133 (≠ A134), A134 (≠ S135), G140 (= G143), M141 (≠ N144), A143 (≠ N146), T144 (≠ E147), A146 (= A149), S147 (≠ G150), E200 (= E200), G201 (= G201), I206 (≠ T206), Y324 (vs. gap), H370 (= H373), E414 (= E417), N451 (= N454)

8jdnA Crystal structure of h405a mldhd in complex with d-2-hydroxyvaleric acid (see paper)
30% identity, 99% coverage: 2:458/461 of query aligns to 1:455/456 of 8jdnA

query
sites
8jdnA

L

L

S

S

T

Q

H

D

A

F

L

V

D

E

F

A

F

L

T

K

T

A

L

V

L

V

G

G

K

S

E

P

N

H

V

V

Y

S

S

T

D

A

K

S

A

A

H

V

L

R

I

E

A

Q

Y

H

S

G

Y

H

D

D

A

E

T

S

R

M

E

H

R

R

F

C

E

Q

P

P

-

P

E

D

A

A

V

V

L

V

F

W

P

P

R

Q

H

N

E

V

Q

D

D

Q

V

V

S

S

D

R

I

V

L

A

K

S

Y

L

C

C

N

Y

E

N

H

Q

K

G

I

V

V

P

I

I

V

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

S
x
T

G
|
G

F

V

T

E

G

G

G
|
G

A
x
V

L

C

P

A

A

V

N

Q

G

G

G

G

I

V

V

C

L

I

A

N

F
x
L

E

-

K

T

H

H

M

M

N

D

K

Q

I

I

L

T

E

E

I

L

D

N

M

T

Q

E

N

D

M

F

V

S

A

V

V

V

V

V

Q

E

P

P

G

G

V

V

V

T

N

R

M

K

E

A

L

L

Q

N

R

T

A

H

V

L

E

R

E

D

V

S

G

G

L

L

F

W

Y

F

P

P

P

V

D

D

P
|
P

A
x
G

S
x
A

Q

D

E

-

Y

-

S

A

T

S

I

L

G

C

G
|
G

N
x
M

V

A

N
x
A

E
x
T

N

G

A
|
A

G
x
S

G

G

M

T

R

N

A

A

A

V

K

R

Y

Y

G

G

I

T

T

M

K

R

D

D

Y

N

V

V

M

I

A

N

I

L

R

E

A

V

V

V

L

L

P

P

N

D

G

G

D

R

I

L

I

L

K

H

A

T

-

A

-

G

-

R

G

G

K

R

K

H

T

Y

I

R

K

K

D

S

V

A

A

A

G

G

Y

Y

N

N

I

L

A

T

G

G

I

L

L

F

I

V

A

G

S

S

E
|
E

G
|
G

T

T

L

L

A

G

V

I

T
x
I

T

T

E

S

V

T

T

T

L

L

K

R

L

L

L

H

S

P

K

A

P

P

K

E

M

A

T

T

K

V

T

A

A

A

M

T

G

C

I

A

F

F

P

P

T

S

V

V

H

Q

S

A

A

A

M

V

E

D

A

S

V

T

Y

V

K

Q

T

I

M

L

A

Q

S

A

G

A

V

V

T

P

P

V

V

A

A

R

M

I

E

E

F

F

L

L

D

D

N

D

L

V

T

M

I

M

R

D

A

A

V

C

E

N

Q

R

T

-

Y

-

H

H

K

S

G

K

L

L

P

N

V

C

E

P

A

V

G

A

A

P

I

T

L

L

V

F

T

L

D

E

V

F

D

H

G

G

N

S

L

-

E

Q

E

Q

D

T

L

L

D

A

F

E

Q

Q

L

L

D

Q

V

R

I

T

G

E

R

A

V

I

F

T

R

Q

E

D

N

N

G

G

C

G

S

S

D

H

F

F

H

S

I

W

A

A

Q

A

N

E

K

K

Q

R

E

-

A

-

S

N

D

E

L

L

W

W

F

A

A

A

R
|
R

R

H

N

N

-

A

-
x
W

-

Y

A

A

S

A

Q

L

S

A

L

L

S

S

V

-

Y

P

G

G

S

S

K

K

K

A

L

Y

N

S

E

T

D

D

V

V

T

C

V

V

P

P

R

I

S

S

A

R

L

L

P

P

A

E

L

I

L

L

D

V

Q

E

F

T

Y

K

K

E

I

E

A

I

D

K

K

A

Y

S

N

K

I

L

K

T

I

G

P

A

C

I

F

V

G

G

H
|
H

T

V

G

G

D

D

G

G

N

N

V

F

H

A

T

C

N

I

V

L

M

L

V

V

D

D

G

P

K

D

D

D

P

A

E

E

Q

E

V

Q

K

R

I

R

G

V

Y

K

K

A

A

F

I

A

E

E

E

N

V

L

F

G

Q

R

A

R

T

A

I

L

D

A

L

L

G

G

G

G

T

T

L

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

L

L

A

G

K

K

A

R

P

Q

Y

L

M

L

G

Q

M

E

A

E

F

V

T

G

P

P

E

V

E

G

M

V

A

E

L

T

F

M

Q

R

S

Q

I

L

K

K

R

N

A

T

F

L

D

D

P

P

N

R

N

G

I

L

L

M

N
|
N

P

P

S

G

K

K

M

V

binding flavin-adenine dinucleotide: P68 (= P68), G70 (= G70), T71 (≠ A71), G72 (= G72), T73 (≠ S73), G74 (= G74), G78 (= G78), V79 (≠ A79), L90 (≠ F90), P132 (= P133), G133 (≠ A134), A134 (≠ S135), G140 (= G143), M141 (≠ N144), A143 (≠ N146), T144 (≠ E147), A146 (= A149), S147 (≠ G150), E200 (= E200), G201 (= G201), I206 (≠ T206), H370 (= H373), E414 (= E417), N451 (= N454)
binding (2R)-2-oxidanylpentanoic acid: R319 (= R324), W323 (vs. gap), H415 (= H418)

8jdgA Crystal structure of h405a mldhd in complex with d-2-hydroxybutanoic acid (see paper)
30% identity, 99% coverage: 2:458/461 of query aligns to 1:455/456 of 8jdgA

query
sites
8jdgA

L

L

S

S

T

Q

H

D

A

F

L

V

D

E

F

A

F

L

T

K

T

A

L

V

L

V

G

G

K

S

E

P

N

H

V

V

Y

S

S

T

D

A

K

S

A

A

H

V

L

R

I

E

A

Q

Y

H

S

G

Y

H

D

D

A

E

T

S

R

M

E

H

R

R

F

C

E

Q

P

P

-

P

E

D

A

A

V

V

L

V

F

W

P

P

R

Q

H

N

E

V

Q

D

D

Q

V

V

S

S

D

R

I

V

L

A

K

S

Y

L

C

C

N

Y

E

N

H

Q

K

G

I

V

V

P

I

I

V

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

S
x
T

G
|
G

F

V

T

E

G

G

G
|
G

A
x
V

L

C

P

A

A

V

N

Q

G

G

G

G

I

V

V

C

L

I

A

N

F
x
L

E

-

K

T

H

H

M

M

N

D

K

Q

I

I

L

T

E

E

I

L

D

N

M

T

Q

E

N

D

M

F

V

S

A

V

V

V

V

V

Q

E

P

P

G

G

V

V

V

T

N

R

M

K

E

A

L

L

Q

N

R

T

A

H

V

L

E

R

E

D

V

S

G

G

L

L

F

W

Y

F

P

P

P

V

D

D

P
|
P

A
x
G

S
x
A

Q

D

E

-

Y

-

S

A

T

S

I

L

G

C

G
|
G

N
x
M

V

A

N
x
A

E
x
T

N

G

A
|
A

G
x
S

G

G

M

T

R

N

A

A

A

V

K

R

Y

Y

G

G

I

T

T

M

K

R

D

D

Y

N

V

V

M

I

A

N

I

L

R

E

A

V

V

V

L

L

P

P

N

D

G

G

D

R

I

L

I

L

K

H

A

T

-

A

-

G

-

R

G

G

K

R

K

H

T

Y

I

R

K

K

D

S

V

A

A

A

G

G

Y

Y

N

N

I

L

A

T

G

G

I

L

L

F

I

V

A

G

S

S

E
|
E

G
|
G

T

T

L

L

A

G

V

I

T
x
I

T

T

E

S

V

T

T

T

L

L

K

R

L

L

L

H

S

P

K

A

P

P

K

E

M

A

T

T

K

V

T

A

A

A

M

T

G

C

I

A

F

F

P

P

T

S

V

V

H

Q

S

A

A

A

M

V

E

D

A

S

V

T

Y

V

K

Q

T

I

M

L

A

Q

S

A

G

A

V

V

T

P

P

V

V

A

A

R

M

I

E

E

F

F

L

L

D

D

N

D

L

V

T

M

I

M

R

D

A

A

V

C

E

N

Q

R

T

-

Y

-

H

H

K

S

G

K

L

L

P

N

V

C

E

P

A

V

G

A

A

P

I

T

L

L

V

F

T

L

D

E

V

F

D

H

G

G

N

S

L

-

E

Q

E

Q

D

T

L

L

D

A

F

E

Q

Q

L

L

D

Q

V

R

I

T

G

E

R

A

V

I

F

T

R

Q

E

D

N

N

G

G

C

G

S

S

D

H

F

F

H

S

I

W

A

A

Q

A

N

E

K

K

Q

R

E

-

A

-

S

N

D

E

L

L

W

W

F

A

A

A

R
|
R

R

H

N

N

-

A

-

W

-

Y

A

A

S

A

Q

L

S

A

L

L

S

S

V

-

Y

P

G

G

S

S

K

K

K

A

L

Y

N

S

E

T

D

D

V

V

T

C

V

V

P

P

R

I

S

S

A

R

L

L

P

P

A

E

L

I

L

L

D

V

Q

E

F

T

Y

K

K

E

I

E

A

I

D

K

K

A

Y

S

N

K

I

L

K

T

I

G

P

A

C

I

F

V

G

G

H
|
H

T

V

G

G

D

D

G

G

N

N

V

F

H

A

T

C

N

I

V

L

M

L

V

V

D

D

G

P

K

D

D

D

P

A

E

E

Q

E

V

Q

K

R

I

R

G

V

Y

K

K

A

A

F

I

A

E

E

E

N

V

L

F

G

Q

R

A

R

T

A

I

L

D

A

L

L

G

G

G

G

T

T

L

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

L

L

A

G

K

K

A

R

P

Q

Y

L

M

L

G

Q

M

E

A

E

F

V

T

G

P

P

E

V

E

G

M

V

A

E

L

T

F

M

Q

R

S

Q

I

L

K

K

R

N

A

T

F

L

D

D

P

P

N

R

N

G

I

L

L

M

N
|
N

P

P

S

G

K

K

M

V

binding flavin-adenine dinucleotide: P68 (= P68), G70 (= G70), T71 (≠ A71), G72 (= G72), T73 (≠ S73), G74 (= G74), G78 (= G78), V79 (≠ A79), L90 (≠ F90), P132 (= P133), G133 (≠ A134), A134 (≠ S135), G140 (= G143), M141 (≠ N144), A143 (≠ N146), T144 (≠ E147), A146 (= A149), S147 (≠ G150), E200 (= E200), G201 (= G201), I206 (≠ T206), H370 (= H373), E414 (= E417), N451 (= N454)
binding (2R)-2-oxidanylbutanoic acid: R319 (= R324), H415 (= H418)

8jdbA Crystal structure of h405a mldhd in complex with d-2-hydroxyoctanoic acid (see paper)
30% identity, 99% coverage: 2:458/461 of query aligns to 1:455/456 of 8jdbA

query
sites
8jdbA

L

L

S

S

T

Q

H

D

A

F

L

V

D

E

F

A

F

L

T

K

T

A

L

V

L

V

G

G

K

S

E

P

N

H

V

V

Y

S

S

T

D

A

K

S

A

A

H

V

L

R

I

E

A

Q

Y

H

S

G

Y

H

D

D

A

E

T

S

R

M

E

H

R

R

F

C

E

Q

P

P

-

P

E

D

A

A

V

V

L

V

F

W

P

P

R

Q

H

N

E

V

Q

D

D

Q

V

V

S

S

D

R

I

V

L

A

K

S

Y

L

C

C

N

Y

E

N

H

Q

K

G

I

V

V

P

I

I

V

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

S
x
T

G
|
G

F
x
V

T

E

G

G

G
|
G

A
x
V

L

C

P

A

A

V

N

Q

G

G

G

G

I

V

V

C

L

I

A

N

F
x
L

E

-

K

T

H

H

M

M

N

D

K

Q

I

I

L

T

E

E

I

L

D

N

M

T

Q

E

N

D

M

F

V

S

A

V

V

V

V

V

Q

E

P

P

G

G

V

V

V

T

N

R

M

K

E

A

L

L

Q

N

R

T

A

H

V

L

E

R

E

D

V

S

G

G

L

L

F

W

Y

F

P

P

P

V

D

D

P
|
P

A
x
G

S
x
A

Q

D

E

-

Y

-

S

A

T

S

I

L

G

C

G
|
G

N
x
M

V

A

N
x
A

E
x
T

N

G

A
|
A

G
x
S

G

G

M

T

R

N

A

A

A

V

K

R

Y

Y

G

G

I

T

T

M

K

R

D

D

Y

N

V

V

M

I

A

N

I

L

R

E

A

V

V

V

L

L

P

P

N

D

G

G

D

R

I

L

I

L

K

H

A

T

-

A

-

G

-

R

G

G

K

R

K

H

T

Y

I

R

K

K

D

S

V

A

A

A

G

G

Y

Y

N

N

I

L

A

T

G

G

I

L

L

F

I

V

A

G

S

S

E
|
E

G
|
G

T

T

L

L

A

G

V

I

T
x
I

T

T

E

S

V

T

T

T

L

L

K

R

L

L

L

H

S

P

K

A

P

P

K

E

M

A

T

T

K

V

T

A

A

A

M

T

G

C

I

A

F

F

P

P

T

S

V

V

H

Q

S

A

A

A

M

V

E

D

A

S

V

T

Y

V

K

Q

T

I

M

L

A

Q

S

A

G

A

V

V

T

P

P

V

V

A

A

R

M

I

E

E

F

F

L

L

D

D

N

D

L

V

T

M

I

M

R

D

A

A

V

C

E

N

Q

R

T

-

Y

-

H

H

K

S

G

K

L

L

P

N

V

C

E

P

A

V

G

A

A

P

I

T

L

L

V

F

T

L

D

E

V

F

D

H

G

G

N

S

L

-

E

Q

E

Q

D

T

L

L

D

A

F

E

Q

Q

L

L

D

Q

V

R

I

T

G

E

R

A

V

I

F

T

R

Q

E

D

N

N

G

G

C

G

S

S

D

H

F

F

H

S

I

W

A

A

Q

A

N

E

K

K

Q

R

E

-

A

-

S

N

D

E

L

L

W

W

F

A

A

A

R
|
R

R

H

N

N

-

A

-
x
W

-
x
Y

A

A

S

A

Q

L

S

A

L

L

S

S

V

-

Y

P

G

G

S

S

K

K

K

A

L

Y

N

S

E

T

D

D

V

V

T

C

V

V

P

P

R

I

S

S

A

R

L

L

P

P

A

E

L

I

L

L

D

V

Q

E

F

T

Y

K

K

E

I

E

A

I

D

K

K

A

Y

S

N

K

I

L

K

T

I

G

P

A

C

I

F

V

G

G

H
|
H

T

V

G

G

D

D

G

G

N

N

V

F

H

A

T

C

N

I

V

L

M

L

V

V

D

D

G

P

K

D

D

D

P

A

E

E

Q

E

V

Q

K

R

I

R

G

V

Y

K

K

A

A

F

I

A

E

E

E

N

V

L

F

G

Q

R

A

R

T

A

I

L

D

A

L

L

G

G

G

G

T

T

L

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

L

L

A

G

K

K

A

R

P

Q

Y

L

M

L

G

Q

M

E

A

E

F

V

T

G

P

P

E

V

E

G

M

V

A

E

L

T

F

M

Q

R

S

Q

I

L

K

K

R

N

A

T

F

L

D

D

P

P

N

R

N

G

I

L

L

M

N
|
N

P

P

S

G

K

K

M

V

binding flavin-adenine dinucleotide: P68 (= P68), G70 (= G70), T71 (≠ A71), G72 (= G72), T73 (≠ S73), G74 (= G74), G78 (= G78), V79 (≠ A79), L90 (≠ F90), P132 (= P133), G133 (≠ A134), A134 (≠ S135), G140 (= G143), M141 (≠ N144), A143 (≠ N146), T144 (≠ E147), A146 (= A149), S147 (≠ G150), E200 (= E200), G201 (= G201), I206 (≠ T206), Y324 (vs. gap), H370 (= H373), E414 (= E417), N451 (= N454)
binding (2R)-2-oxidanyloctanoic acid: V75 (≠ F75), R319 (= R324), W323 (vs. gap), H415 (= H418)

8jduA Crystal structure of mldhd in complex with 2-ketovaleric acid (see paper)
31% identity, 99% coverage: 2:458/461 of query aligns to 1:454/455 of 8jduA

query
sites
8jduA

L

L

S

S

T

Q

H

D

A

F

L

V

D

E

F

A

F

L

T

K

T

A

L

V

L

V

G

G

K

S

E

P

N

H

V

V

Y

S

S

T

D

A

K

S

A

A

H

V

L

R

I

E

A

Q

Y

H

S

G

Y

H

D

D

A

E

T

S

R

M

E

H

R

R

F

C

E

Q

P

P

-

P

E

D

A

A

V

V

L

V

F

W

P

P

R

Q

H

N

E

V

Q

D

D

Q

V

V

S

S

D

R

I

V

L

A

K

S

Y

L

C

C

N

Y

E

N

H

Q

K

G

I

V

V

P

I

I

V

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

S
x
T

G
|
G

F

V

T

E

G

G

G
|
G

A
x
V

L

C

P

A

A

V

N

Q

G

G

G

G

I

V

V

C

L

I

A

N

F
x
L

E

-

K

T

H

H

M

M

N

D

K

Q

I

I

L

T

E

E

I

L

D

N

M

T

Q

E

N

D

M

F

V

S

A

V

V

V

V

V

Q

E

P

P

G

G

V

V

V

T

N

R

M

K

E

A

L

L

Q

N

R

T

A

H

V

L

E

R

E

D

V

S

G

G

L

L

F

W

Y

F

P

P

P

V

D

D

P
|
P

A
x
G

S
x
A

Q

D

E

-

Y

-

S

A

T

S

I

L

G

C

G
|
G

N
x
M

V

A

N
x
A

E
x
T

N

G

A
|
A

G
x
S

G

G

M

T

R

N

A

A

A

V

K

R

Y

Y

G

G

I

T

T

M

K

R

D

D

Y

N

V

V

M

I

A

N

I

L

R

E

A

V

V

V

L

L

P

P

N

D

G

G

D

R

I

L

I

L

K

H

A

T

-

A

-

G

-

R

G

G

K

R

K

H

T

Y

I

R

K

K

D

S

V

A

A

A

G

G

Y

Y

N

N

I

L

A

T

G

G

I

L

L

F

I

V

A

G

S

S

E
|
E

G
|
G

T

T

L

L

A

G

V

I

T
x
I

T

T

E

S

V

T

T

T

L

L

K

R

L

L

L

H

S

P

K

A

P

P

K

E

M

A

T

T

K

V

T

A

A

A

M

T

G

C

I

A

F

F

P

P

T

S

V

V

H

Q

S

A

A

A

M

V

E

D

A

S

V

T

Y

V

K

Q

T

I

M

L

A

Q

S

A

G

A

V

V

T

P

P

V

V

A

A

R

M

I

E

E

F

F

L

L

D

D

N

D

L

V

T

M

I

M

R

D

A

A

V

C

E

N

Q

R

T

-

Y

-

H

H

K

S

G

K

L

L

P

N

V

C

E

P

A

V

G

A

A

P

I

T

L

L

V

F

T

L

D

E

V

F

D

H

G

G

N

S

L

-

E

Q

E

Q

D

T

L

L

D

A

F

E

Q

Q

L

L

D

Q

V

R

I

T

G

-

R

E

V

A

F

I

R

T

E

Q

N

N

G

G

C

G

S

S

D

H

F

F

H

S

I

W

A

A

Q

A

N

E

K

K

Q

R

E

-

A

-

S

N

D

E

L

L

W

W

F

A

A

A

R
|
R

R

H

N

N

A

A

-
x
W

-

Y

-

A

S

A

Q

L

S

A

L

L

S

S

V

-

Y

P

G

G

S

S

K

K

K

A

L

Y

N

S

E

T

D

D

V

V

T

C

V

V

P

P

R

I

S

S

A

R

L

L

P

P

A

E

L

I

L

L

D

V

Q

E

F

T

Y

K

K

E

I

E

A

I

D

K

K

A

Y

S

N

K

I

L

K

T

I

G

P

A

C

I

F

V

G

G

H
|
H

T

V

G

G

D

D

G

G

N

N

V

F

H
|
H

T

C

N

I

V

L

M

L

V

V

D

D

G

P

K

D

D

D

P

A

E

E

Q

E

V

Q

K

R

I

R

G

V

Y

K

K

A

A

F

I

A

E

E

E

N

V

L

F

G

Q

R

A

R

T

A

I

L

D

A

L

L

G

G

G

G

T

T

L

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

L

L

A

G

K

K

A

R

P

Q

Y

L

M

L

G

Q

M

E

A

E

F

V

T

G

P

P

E

V

E

G

M

V

A

E

L

T

F

M

Q

R

S

Q

I

L

K

K

R

N

A

T

F

L

D

D

P

P

N

R

N

G

I

L

L

M

N
|
N

P

P

S

G

K

K

M

V

binding 2-oxopentanoic acid: R318 (= R324), W322 (vs. gap), H369 (= H373), H376 (= H380), H414 (= H418)
binding flavin-adenine dinucleotide: P68 (= P68), G70 (= G70), T71 (≠ A71), G72 (= G72), T73 (≠ S73), G74 (= G74), G78 (= G78), V79 (≠ A79), L90 (≠ F90), P132 (= P133), G133 (≠ A134), A134 (≠ S135), G140 (= G143), M141 (≠ N144), A143 (≠ N146), T144 (≠ E147), A146 (= A149), S147 (≠ G150), E200 (= E200), G201 (= G201), I206 (≠ T206), W322 (vs. gap), E413 (= E417), N450 (= N454)
binding manganese (ii) ion: H369 (= H373), H376 (= H380), E413 (= E417)

8jdzA Crystal structure of mldhd in complex with 2-keto-3-methylvaleric acid (see paper)
31% identity, 99% coverage: 2:458/461 of query aligns to 1:453/454 of 8jdzA

query
sites
8jdzA

L

L

S

S

T

Q

H

D

A

F

L

V

D

E

F

A

F

L

T

K

T

A

L

V

L

V

G

G

K

S

E

P

N

H

V

V

Y

S

S

T

D

A

K

S

A

A

H

V

L

R

I

E

A

Q

Y

H

S

G

Y

H

D

D

A
x
E

T

S

R

M

E

H

R

R

F

C

E

Q

P

P

-

P

E

D

A

A

V

V

L

V

F

W

P

P

R

Q

H

N

E

V

Q

D

D

Q

V

V

S

S

D

R

I

V

L

A

K

S

Y

L

C

C

N

Y

E

N

H

Q

K

G

I

V

V

P

I

I

V

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

S
x
T

G
|
G

F

V

T

E

G

G

G
|
G

A
x
V

L

C

P

A

A

V

N

Q

G

G

G

G

I

V

V

C

L

I

A

N

F
x
L

E

-

K

T

H

H

M

M

N

D

K

Q

I

I

L

T

E

E

I

L

D

N

M

T

Q

E

N

D

M

F

V

S

A

V

V

V

V

V

Q

E

P

P

G

G

V

V

V

T

N

R

M

K

E

A

L

L

Q

N

R

T

A

H

V

L

E

R

E

D

V

S

G

G

L

L

F

W

Y

F

P

P

P

V

D

D

P
|
P

A
x
G

S
x
A

Q

D

E

-

Y

-

S

A

T

S

I

L

G

C

G
|
G

N
x
M

V

A

N
x
A

E
x
T

N

G

A
|
A

G
x
S

G

G

M

T

R

N

A

A

A

V

K

R

Y

Y

G

G

I

T

T

M

K

R

D

D

Y

N

V

V

M

I

A

N

I

L

R

E

A

V

V

V

L

L

P

P

N

D

G

G

D

R

I

L

I

L

K

H

A

T

-

A

-

G

-

R

G

G

K

R

K

H

T

Y

I

R

K

K

D

S

V

A

A

A

G

G

Y

Y

N

N

I

L

A

T

G

G

I

L

L

F

I

V

A

G

S

S

E
|
E

G
|
G

T

T

L

L

A

G

V

I

T
x
I

T

T

E

S

V

T

T

T

L

L

K

R

L

L

L

H

S

P

K

A

P

P

K

E

M

A

T

T

K

V

T

A

A

A

M

T

G

C

I

A

F

F

P

P

T

S

V

V

H

Q

S

A

A

A

M

V

E

D

A

S

V

T

Y

V

K

Q

T

I

M

L

A

Q

S

A

G

A

V

V

T

P

P

V

V

A

A

R

M

I

E

E

F

F

L

L

D

D

N

D

L

V

T

M

I

M

R

D

A

A

V

C

E

N

Q

R

T

-

Y

-

H

-

K

H

G

S

L

L

P

N

V

C

E

P

A

V

G

A

A

P

I

T

L

L

V

F

T

L

D

E

V

F

D

H

G

G

N

S

L

-

E

Q

E

Q

D

T

L

L

D

A

F

E

Q

Q

L

L

D

Q

V

R

I

T

G

E

R

A

V

I

F

T

R

Q

E

D

N

N

G

G

C

G

S

S

D

H

F

F

H

S

I

W

A

A

Q

A

N

E

K

K

Q

R

E

-

A

-

S

N

D

E

L

L

W

W

F

A

A

A

R
|
R

R

H

N

N

-

A

-
x
W

-

Y

A

A

S

A

Q

L

S

A

L

L

S

S

V

-

Y

P

G

G

S

S

K

K

K

A

L

Y

N

S

E

T

D

D

V

V

T

C

V

V

P

P

R

I

S

S

A

R

L

L

P

P

A

E

L

I

L

L

D

V

Q

E

F

T

Y

K

K

E

I

E

A

I

D

K

K

A

Y

S

N

K

I

L

K

T

I

G

P

A

C

I

F

V

G

G

H
|
H

T

V

G

G

D

D

G

G

N

N

V

F

H
|
H

T

C

N

I

V

L

M

L

V

V

D

D

G

P

K

D

D

A

P

E

E

E

Q

Q

V

R

K

R

I

V

G

K

Y

A

K

F

A

A

I

-

E

E

E

N

V

L

F

G

Q

R

A

R

T

A

I

L

D

A

L

L

G

G

G

G

T

T

L

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

L

L

A

G

K

K

A

R

P

Q

Y

L

M

L

G

Q

M

E

A

E

F

V

T

G

P

P

E

V

E

G

M

V

A

E

L

T

F

M

Q

R

S

Q

I

L

K

K

R

N

A

T

F

L

D

D

P

P

N

R

N

G

I

L

L

M

N
|
N

P

P

S

G

K

K

M

V

binding (3S)-3-methyl-2-oxopentanoic acid: R318 (= R324), W322 (vs. gap), H369 (= H373), H376 (= H380), H413 (= H418)
binding flavin-adenine dinucleotide: E32 (≠ A33), P68 (= P68), G70 (= G70), T71 (≠ A71), G72 (= G72), T73 (≠ S73), G74 (= G74), G78 (= G78), V79 (≠ A79), L90 (≠ F90), P132 (= P133), G133 (≠ A134), A134 (≠ S135), G140 (= G143), M141 (≠ N144), A143 (≠ N146), T144 (≠ E147), A146 (= A149), S147 (≠ G150), E200 (= E200), G201 (= G201), I206 (≠ T206), W322 (vs. gap), E412 (= E417), H413 (= H418), N449 (= N454)
binding manganese (ii) ion: H369 (= H373), H376 (= H380), E412 (= E417)

8jdyA Crystal structure of mldhd in complex with 2-ketoisocaproic acid (see paper)
31% identity, 99% coverage: 2:458/461 of query aligns to 1:453/454 of 8jdyA

query
sites
8jdyA

L

L

S

S

T

Q

H

D

A

F

L

V

D

E

F

A

F

L

T

K

T

A

L

V

L

V

G

G

K

S

E

P

N

H

V

V

Y

S

S

T

D

A

K

S

A

A

H

V

L

R

I

E

A

Q

Y

H

S

G

Y

H

D

D

A

E

T

S

R

M

E

H

R

R

F

C

E

Q

P

P

-

P

E

D

A

A

V

V

L

V

F

W

P

P

R

Q

H

N

E

V

Q

D

D

Q

V

V

S

S

D

R

I

V

L

A

K

S

Y

L

C

C

N

Y

E

N

H

Q

K

G

I

V

V

P

I

I

V

I

P
|
P

R

F

G
|
G

A
x
T

G
|
G

S
x
T

G
|
G

F

V

T

E

G

G

G
|
G

A
x
V

L

C

P

A

A

V

N

Q

G

G

G

G

I

V

V

C

L

I

A

N

F
x
L

E

-

K

T

H

H

M

M

N

D

K

Q

I

I

L

T

E

E

I

L

D

N

M

T

Q

E

N

D

M

F

V

S

A

V

V

V

V

V

Q

E

P

P

G

G

V

V

V

T

N

R

M

K

E

A

L

L

Q

N

R

T

A

H

V

L

E

R

E

D

V

S

G

G

L

L

F

W

Y

F

P

P

P

V

D

D

P
|
P

A
x
G

S
x
A

Q

D

E

-

Y

-

S

A

T

S

I

L

G

C

G
|
G

N
x
M

V

A

N
x
A

E
x
T

N

G

A
|
A

G
x
S

G

G

M

T

R

N

A

A

A

V

K

R

Y

Y

G

G

I

T

T

M

K

R

D

D

Y

N

V

V

M

I

A

N

I

L

R

E

A

V

V

V

L

L

P

P

N

D

G

G

D

R

I

L

I

L

K

H

A

T

-

A

-

G

-

R

G

G

K

R

K

H

T

Y

I

R

K

K

D

S

V

A

A

A

G

G

Y

Y

N

N

I

L

A

T

G

G

I

L

L

F

I

V

A

G

S

S

E
|
E

G
|
G

T

T

L

L

A

G

V

I

T
x
I

T

T

E

S

V

T

T

T

L

L

K

R

L

L

L

H

S

P

K

A

P

P

K

E

M

A

T

T

K

V

T

A

A

A

M

T

G

C

I

A

F

F

P

P

T

S

V

V

H

Q

S

A

A

A

M

V

E

D

A

S

V

T

Y

V

K

Q

T

I

M

L

A

Q

S

A

G

A

V

V

T

P

P

V

V

A

A

R

M

I

E

E

F

F

L

L

D

D

N

D

L

V

T

M

I

M

R

D

A

A

V

C

E

N

Q

R

T

-

Y

-

H

-

K

H

G

S

L

L

P

N

V

C

E

P

A

V

G

A

A

P

I

T

L

L

V

F

T

L

D

E

V

F

D

H

G

G

N

S

L

-

E

Q

E

Q

D

T

L

L

D

A

F

E

Q

Q

L

L

D

Q

V

R

I

T

G

E

R

A

V

I

F

T

R

Q

E

D

N

N

G

G

C

G

S

S

D

H

F

F

H

S

I

W

A

A

Q

A

N

E

K

K

Q

R

E

-

A

-

S

N

D

E

L

L

W

W

F

A

A

A

R
|
R

R

H

N

N

-

A

-
x
W

-

Y

A

A

S

A

Q

L

S

A

L

L

S

S

V

-

Y

P

G

G

S

S

K

K

K

A

L

Y

N
x
S

E

T

D

D

V

V

T

C

V

V

P

P

R

I

S

S

A

R

L

L

P

P

A

E

L

I

L

L

D

V

Q

E

F

T

Y

K

K

E

I

E

A

I

D

K

K

A

Y

S

N

K

I

L

K

T

I

G

P

A

C

I

F

V

G

G

H
|
H

T

V

G

G

D

D

G

G

N

N

V

F

H
|
H

T

C

N

I

V

L

M

L

V

V

D

D

G

P

K

D

D

A

P

E

E

E

Q

Q

V

R

K

R

I

V

G

K

Y

A

K

F

A

A

I

-

E

E

E

N

V

L

F

G

Q

R

A

R

T

A

I

L

D

A

L

L

G

G

G

G

T

T

L

C

S

T

G

G

E
|
E

H
|
H

G

G

I

I

G

G

L

L

A

G

K

K

A

R

P

Q

Y

L

M

L

G

Q

M

E

A

E

F

V

T

G

P

P

E

V

E

G

M

V

A

E

L

T

F

M

Q

R

S

Q

I

L

K

K

R

N

A

T

F

L

D

D

P

P

N

R

N

G

I

L

L

M

N
|
N

P

P

S

G

K

K

M

V

binding 2-oxo-4-methylpentanoic acid: R318 (= R324), W322 (vs. gap), S336 (≠ N340), H369 (= H373), H376 (= H380), H413 (= H418)
binding flavin-adenine dinucleotide: P68 (= P68), G70 (= G70), T71 (≠ A71), G72 (= G72), T73 (≠ S73), G74 (= G74), G78 (= G78), V79 (≠ A79), L90 (≠ F90), P132 (= P133), G133 (≠ A134), A134 (≠ S135), G140 (= G143), M141 (≠ N144), A143 (≠ N146), T144 (≠ E147), A146 (= A149), S147 (≠ G150), E200 (= E200), G201 (= G201), I206 (≠ T206), E412 (= E417), N449 (= N454)
binding manganese (ii) ion: H369 (= H373), H376 (= H380), E412 (= E417)

3pm9A Crystal structure of a putative dehydrogenase (rpa1076) from rhodopseudomonas palustris cga009 at 2.57 a resolution
29% identity, 99% coverage: 2:458/461 of query aligns to 2:464/465 of 3pm9A

query
sites
3pm9A

L

L

S

S

T

P

H

E

A

L

L

I

D

A

F

R

F

F

T

T

T

A

L

I

L

V

G

G

K

D

E

K

N

H

V

A

Y

L

S

T

D

D

K

P

A

L

H

E

L

L

I

E

A

A

Y

Y

-

I

S

T

Y

E

D

E

A

R

T

N

R

L

E

Y

R

R

F

G

E

H

P

S

E

P

A

L

V

V

L

L

F

R

P

P

R

G

H

S

E

T

Q

E

D

E

V

V

S

V

D

A

I

I

L

C

K

K

Y

L

C

A

N

N

E

E

H

A

K

R

I

V

V

A

I

L

V

V

P
|
P

R
x
Q

G
|
G

A
x
G

G
x
N

S
x
T

G
|
G

F
x
L

T

V

G

G

G
|
G

A
x
Q

L

T

P

P

A

H

N

N

G

G

G

E

I

V

V

V

L

I

A

S

F
x
L

E

-

K

K

H

R

M

M

N

D

K

K

I

I

L

R

E

E

I

I

D

D

M

T

Q

S

N

S

M

N

V

T

A

I

V

T

V

V

Q

E

P

A

G

G

V

A

V

I

N

L

M

Q

E

R

L

V

Q

Q

R

E

A

K

V

A

E

A

E

E

V

V

G

D

L

R

F

L

Y

F

P

P

P

L

D

S

P
x
L

A
x
G

S
x
A

Q

Q

E

G

Y

S

S
x
C

T
|
T

I

I

G
|
G

G
|
G

N

N

V

L

N
x
S

E
x
T

N

N

A
|
A

G
|
G

G

G

M

T

R

A

A

A

A

L

K

A

Y

Y

G

G

I
x
L

T

A

K

R

D

D

Y

M

V

A

M

L

A

G

I

V

R

E

A

V

V

V

L

L

P

A

N

D

G

G

D

R

I

V

I

M

K

N

A

L

G

L

K

S

K

K

T

L

I

K

K

K

D

D

V

N

A

T

G

G

Y

Y

N

D

I

L

A

R

G

D

I

L

L

F

I

I

A

G

S

A

E
|
E

G
|
G

T

T

L

L

A

G

V
x
I

T
x
I

T

T

E

A

V

A

T

T

L

L

K

K

L

L

L

F

S

P

K

K

P

P

K

R

M

A

T

V

K

E

T

T

A

A

M

F

G

V

I

G

F

L

P

Q

T

S

V

P

H

D

S

D

A

A

M

L

E

K

-

L

-

L

A

G

V

I

Y

A

K

Q

T

G

M

E

A

A

S

A

G

G

V

-

T

N

P

L

V

T

A

S

M

F

E

E

F

L

L

I

D

A

N

E

L

T

T

P

I

L

R

D

A

F

V

S

E

V

Q

R

T

H

Y

A

H

N

K

N

G

R

L

D

P

P

V

L

E

E

A

A

G

R

A

Y

I

P

L

W

V

Y

T

V

D

L

V

I

D

E

-

L

G

S

N

S

L

P

E

R

E

D

D

D

L

A

D

R

F

A

Q

A

L

L

D

E

-

S

V

I

I

L

G

E

R

R

V

G

F

F

R

E

E

D

N

G

G

I

C

V

S

V

D

D

F

A

H

A

I

I

A

A

Q

N

N

S

K

V

Q

Q

E

Q

A

Q

S

Q

D

A

L

F

W

W

F

K

A

L

R

R

R

E

N

E

A

I

S

S

Q

P

S

A

L

Q

S

K

V

P

Y

E

G

G

S

G

K

-

K

S

L

I

N

K

E

H

D

D

V

I

T

S

V

V

P

P

R

V

S

A

A

A

L

V

P

P

A

Q

L

F

L

I

D

E

Q

Q

F

A

Y

N

K

A

-

A

-

V

I

V

A

A

D

L

K

I

Y

P

N

G

I

A

K

R

I

P

P

V

C

P

F

F

G

G

H

H

T

L

G

G

D

D

G

G

N

N

V

I

H

H

T

Y

N

N

V

V

M

S

-

Q

-

P

V

V

D

G

G

A

K

D

D

K

P

A

E

E

Q

F

V

L

K

A

I

R

G

W

Y

H

K

D

A

V

I

S

E

Q

E

V

V

V

F

F

Q

E

A

V

T

V

I

L

D

R

L

L

G

G

G

G

T

S

L

I

S

S

G

A

E
|
E

H

H

G

G

I

I

G

G

L

V

A

M

K

K

A

R

P

D

Y

E

M

L

G

A

M

E

A

V

F

K

T

D

P

K

E

T

E

A

M

I

A

E

L

L

F

M

Q

R

S

S

I

I

K

K

R

A

A

L

F

L

D

D

P

P

N

H

N

G

I

I

L

M

N

N

P

P

S

G

K

K

M

V

active site: A149 (= A149), L159 (≠ I159)
binding flavin-adenine dinucleotide: P69 (= P68), Q70 (≠ R69), G71 (= G70), G72 (≠ A71), N73 (≠ G72), T74 (≠ S73), G75 (= G74), L76 (≠ F75), G79 (= G78), Q80 (≠ A79), L91 (≠ F90), L133 (≠ P133), G134 (≠ A134), A135 (≠ S135), C139 (≠ S139), T140 (= T140), G142 (= G142), G143 (= G143), S146 (≠ N146), T147 (≠ E147), A149 (= A149), G150 (= G150), E200 (= E200), G201 (= G201), I205 (≠ V205), I206 (≠ T206), E423 (= E417)

6lpnB Crystal structure of human d-2-hydroxyglutarate dehydrogenase in apo form (see paper)
29% identity, 95% coverage: 19:457/461 of query aligns to 26:463/467 of 6lpnB

query
sites
6lpnB

V

V

Y

V

S

T

D

D

K

P

A

E

H

A

L

L

I

Q

A

A

Y

P

S

N

Y

V

D

D

A
x
W

T

L

R

R

E

T

-

L

R

R

F

G

E

C

P

S

E

K

A

V

V

L

L

L

F

R

P

P

R

R

H

T

E

S

Q

E

D

E

V

V

S

S

D

H

I

I

L

L

K

R

Y

H

C

C

N

H

E

E

H

R

K

N

I

L

V

A

I

V

V

N

P
|
P

R

Q

G
|
G

A
x
G

G
x
N

S
x
T

G
|
G

F
x
M

T

V

G

G

G
|
G

A
x
S

L

V

P

P

A

V

N

F

G

D

G

E

I

I

V

I

L

L

A

S

F

T

E

A

K

R

H

-

M

M

N

N

K

R

I

V

L

L

E

S

I

F

D

H

M

S

Q

V

N

S

M

G

V

I

A

L

V

V

V

C

Q

Q

P

A

G

G

V

C

V

V

N

L

M

E

E

E

L

L

Q

S

R

R

A

Y

V

V

E

E

E

E

V

R

G

D

L

F

F

I

Y

M

P

P

P

L

D

D

P
x
L

A

G

S
x
A

Q

K

E

G

Y

S

S
x
C

T
x
H

I

I

G

G

G
|
G

N
|
N

V

V

N
x
A

E
x
T

N

N

A

A

G

G

G

G

M

L

R

R

A

F

A

L

K

R

Y

Y

G

G

I

S

T

L

K

H

D

G

Y

T

V

V

M

L

A

G

I

L

R

E

A

V

V

V

L

L

P

A

N

D

G

G

D

T

I

V

I

L

K

D

A

C

G

L

K

T

K

S

T

L

I

R

K

K

D

D

V

N

A

T

G

G

Y

Y

N

D

I

L

A

K

G

Q

I

L

L

F

I

I

A

G

S

S

E

E

G
|
G

T

T

L

L

A

G

V
x
I

T
x
I

T

T

E

T

V

V

T

S

L

I

K

L

L

C

L

P

S

P

K

K

P

P

K

R

M

A

T

V

K

N

T

V

A

A

M

F

G

L

I

G

F

C

P

P

T

G

V

F

H

A

S

E

A

V

M

L

E

Q

-

T

-

F

A

S

V

T

Y

C

K

K

T

G

M

M

A

L

S

G

G

E

V

I

T

L

P

S

V

-

A

A

M

F

E

E

F

F

L

M

D

D

N

A

L

V

T

C

I

M

R

Q

A

L

V

V

E

G

Q

R

T

H

Y

L

H

H

K

L

G

A

L

S

P

P

V

V

E

Q

A

E

G

S

A

P

-

F

-

Y

I

V

L

L

V

I

T

E

D

T

V

S

D

G

G

S

N

N

L

A

E

G

E

H

D

D

L

A

D

E

F

K

Q

L

L

G

D

H

V

F

I

L

G

E

R

H

V

A

F

L

R

G

E

S

N

G

G

L

C

V

S

T

D

D

F

G

H

T

I

M

A

A

Q

T

N

D

K

Q

Q

R

E

K

A

V

S

K

D

M

L

L

W

W

F

A

A

L

R

R

R

E

N

R

A

I

S

T

Q

E

S

A

L

L

S

S

V

R

Y

D

G

G

S

-

K

Y

K

V

L

Y

N

K

E

Y

D

D

V

L

T

S

V

L

P

P

R

V

S

E

A

R

L

L

P

Y

A

D

L

I

L

V

D

T

Q

D

F

L

Y

R

K

A

I

R

A

L

D

G

K

P

Y

H

N

A

I

K

K

H

I

V

P

V

C

G

F

Y

G

G

H

H

T

L

G

G

D

D

G

G

N

N

V

L

H

H

T

L

N

N

V

V

M

T

V

A

D

E

G

A

K

F

D

S

P

P

E

S

Q

L

V

L

K

-

I

-

G

-

Y

-

K

A

A

A

I

L

E

E

-

P

E

H

V

V

F

Y

Q

E

A

W

T

T

I

A

D

G

L

Q

G

Q

G

G

T

S

L

V

S

S

G

A

E
|
E

H

H

G

G

I

V

G

G

L

F

A

R

K

K

A

R

P

D

Y

V

M

L

G

G

M

Y

A

S

F

K

T

P

P

P

E

G

E

A

M

L

A

Q

L

L

F

M

Q

Q

S

Q

I

L

K

K

R

A

A

L

F

L

D

D

P

P

N

K

N

G

I

I

L

L

N
|
N

P

P

S

Y

K

K

binding flavin-adenine dinucleotide: W40 (≠ A33), P76 (= P68), G78 (= G70), G79 (≠ A71), N80 (≠ G72), T81 (≠ S73), G82 (= G74), M83 (≠ F75), G86 (= G78), S87 (≠ A79), L140 (≠ P133), A142 (≠ S135), C146 (≠ S139), H147 (≠ T140), G150 (= G143), N151 (= N144), A153 (≠ N146), T154 (≠ E147), G208 (= G201), I212 (≠ V205), I213 (≠ T206), E423 (= E417), N460 (= N454)

6lpxA Crystal structure of human d-2-hydroxyglutarate dehydrogenase in complex with 2-oxoglutarate (2-og) (see paper)
29% identity, 95% coverage: 19:457/461 of query aligns to 25:462/466 of 6lpxA

query
sites
6lpxA

V

V

Y

V

S

T

D

D

K

P

A

E

H

A

L

L

I

Q

A

A

Y

P

S

N

Y

V

D

D

A
x
W

T

L

R

R

E

T

-

L

R

R

F

G

E

C

P

S

E

K

A

V

V

L

L

L

F

R

P

P

R

R

H

T

E

S

Q

E

D

E

V

V

S

S

D

H

I

I

L

L

K

R

Y

H

C

C

N

H

E

E

H

R

K

N

I

L

V

A

I

V

V

N

P
|
P

R
x
Q

G
|
G

A
x
G

G
x
N

S
x
T

G
|
G

F
x
M

T

V

G

G

G
|
G

A
x
S

L

V

P

P

A

V

N

F

G

D

G

E

I

I

V

I

L

L

A

S

F

T

E

A

K

R

H

-

M

M

N

N

K

R

I

V

L

L

E

S

I

F

D

H

M

S

Q

V

N

S

M

G

V

I

A

L

V

V

V

C

Q

Q

P

A

G

G

V

C

V

V

N

L

M

E

E

E

L

L

Q

S

R

R

A

Y

V

V

E

E

E

E

V

R

G

D

L

F

F

I

Y

M

P

P

P

L

D

D

P
x
L

A
x
G

S
x
A

Q

K

E

G

Y

S

S
x
C

T

H

I

I

G

G

G
|
G

N
|
N

V

V

N
x
A

E
x
T

N

N

A

A

G

G

G
|
G

M

L

R

R

A

F

A

L

K

R

Y

Y

G

G

I

S

T

L

K

H

D

G

Y

T

V

V

M

L

A

G

I

L

R

E

A

V

V

V

L

L

P

A

N

D

G

G

D

T

I

V

I

L

K

D

A

C

G

L

K

T

K

S

T

L

I

R

K

K

D

D

V

N

A

T

G

G

Y

Y

N

D

I

L

A

K

G

Q

I

L

L

F

I

I

A

G

S

S

E

E

G
|
G

T

T

L

L

A

G

V

I

T
x
I

T

T

E

T

V

V

T

S

L

I

K

L

L

C

L

P

S

P

K

K

P

P

K

R

M

A

T

V

K

N

T

V

A

A

M

F

G

L

I

G

F

C

P

P

T

G

V

F

H

A

S

E

A

V

M

L

E

Q

-

T

-

F

A

S

V

T

Y

C

K

K

T

G

M

M

A

L

S

G

G

E

V

I

T

L

P

S

V

-

A

A

M

F

E

E

F

F

L

M

D

D

N

A

L

V

T

C

I

M

R

Q

A

L

V

V

E

G

Q

R

T

H

Y

L

H

H

K

L

G

A

L

S

P

P

V

V

E

Q

A

E

G

S

A

P

-

F

-

Y

I

V

L

L

V

I

T

E

D

T

V

S

D

G

G

S

N

N

L

A

E

G

E

H

D

D

L

A

D

E

F

K

Q

L

L

G

D

H

V

F

I

L

G

E

R

H

V

A

F

L

R

G

E

S

N

G

G

L

C

V

S

T

D

D

F

G

H

T

I

M

A

A

Q

T

N

D

K

Q

Q

R

E

K

A

V

S

K

D

M

L

L

W

W

F

A

A

L

R
|
R

R

E

N

R

A

I

S
x
T

Q

E

S

A

L

L

S

S

V

R

Y

D

G

G

S

-

K

Y

K

V

L

Y

N
x
K

E

Y

D

D

V

L

T

S

V

L

P

P

R

V

S

E

A

R

L

L

P

Y

A

D

L

I

L

V

D

T

Q

D

F

L

Y

R

K

A

I

R

A

L

D

G

K

P

Y

H

N

A

I

K

K

H

I

V

P

V

C

G

F
x
Y

G

G

H
|
H

T

L

G

G

D

D

G

G

N

N

V

L

H
|
H

T

L

N

N

V

V

M

T

V

A

D

E

G

A

K

F

D

S

P

P

E

S

Q

L

V

L

K

-

I

-

G

-

Y

-

K

A

A

A

I

L

E

E

-

P

E

H

V

V

F

Y

Q

E

A

W

T

T

I

A

D

G

L

Q

G

Q

G

G

T

S

L

V

S

S

G

A

E
|
E

H
|
H

G

G

I

V

G

G

L

F

A

R

K

K

A

R

P

D

Y

V

M

L

G

G

M

Y

A

S

F

K

T

P

P

P

E

G

E

A

M

L

A

Q

L

L

F

M

Q

Q

S

Q

I

L

K

K

R

A

A

L

F

L

D

D

P

P

N

K

N

G

I

I

L

L

N
|
N

P

P

S

Y

K

K

binding 2-oxoglutaric acid: R333 (= R324), T337 (≠ S328), K348 (≠ N340), Y379 (≠ F371), H381 (= H373), H388 (= H380), H423 (= H418)
binding flavin-adenine dinucleotide: W39 (≠ A33), P75 (= P68), Q76 (≠ R69), G77 (= G70), G78 (≠ A71), N79 (≠ G72), T80 (≠ S73), G81 (= G74), M82 (≠ F75), G85 (= G78), S86 (≠ A79), L139 (≠ P133), G140 (≠ A134), A141 (≠ S135), C145 (≠ S139), G149 (= G143), N150 (= N144), A152 (≠ N146), T153 (≠ E147), G157 (= G151), G207 (= G201), I212 (≠ T206), E422 (= E417), N459 (= N454)
binding zinc ion: H381 (= H373), H388 (= H380), E422 (= E417)

Query Sequence

>WP_013461037.1 NCBI__GCF_000183725.1:WP_013461037.1
MLSTHALDFFTTLLGKENVYSDKAHLIAYSYDATRERFEPEAVLFPRHEQDVSDILKYCN
EHKIVIVPRGAGSGFTGGALPANGGIVLAFEKHMNKILEIDMQNMVAVVQPGVVNMELQR
AVEEVGLFYPPDPASQEYSTIGGNVNENAGGMRAAKYGITKDYVMAIRAVLPNGDIIKAG
KKTIKDVAGYNIAGILIASEGTLAVTTEVTLKLLSKPKMTKTAMGIFPTVHSAMEAVYKT
MASGVTPVAMEFLDNLTIRAVEQTYHKGLPVEAGAILVTDVDGNLEEDLDFQLDVIGRVF
RENGCSDFHIAQNKQEASDLWFARRNASQSLSVYGSKKLNEDVTVPRSALPALLDQFYKI
ADKYNIKIPCFGHTGDGNVHTNVMVDGKDPEQVKIGYKAIEEVFQATIDLGGTLSGEHGI
GLAKAPYMGMAFTPEEMALFQSIKRAFDPNNILNPSKMGLE

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory