SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing AZOBR_RS25120 FitnessBrowser__azobra:AZOBR_RS25120 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)
25% identity, 52% coverage: 11:514/962 of query aligns to 12:460/467 of 7qh2C

query
sites
7qh2C

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binding flavin-adenine dinucleotide: V73 (≠ F71), G75 (≠ A73), S76 (≠ A74), G77 (= G75), T78 (= T76), G79 (≠ S77), L80 (= L78), A83 (≠ Q81), C84 (≠ A82), P137 (= P133), G138 (≠ A134), E139 (≠ S135), A142 (= A139), T143 (≠ K140), G146 (= G143), N147 (≠ I144), S149 (≠ A146), T150 (≠ N147), A152 (= A149), G153 (≠ S150), E203 (= E251), G204 (= G252), I209 (≠ L257), E422 (= E476), H423 (= H477)
binding fe (iii) ion: H377 (= H431), H384 (= H438), E422 (= E476)

8jdsA Crystal structure of mldhd in complex with pyruvate (see paper)
24% identity, 51% coverage: 32:518/962 of query aligns to 28:456/456 of 8jdsA

query
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8jdsA

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binding flavin-adenine dinucleotide: E32 (≠ G36), P68 (vs. gap), G70 (≠ R72), T71 (≠ A73), G72 (≠ A74), T73 (≠ G75), G74 (≠ T76), G78 (= G80), V79 (≠ Q81), L90 (= L91), P132 (= P133), G133 (≠ A134), A134 (= A137), G140 (= G143), M141 (≠ I144), A143 (= A146), T144 (≠ N147), A146 (= A149), S147 (= S150), E200 (= E251), G201 (= G252), I206 (≠ L257), W323 (≠ F382), E414 (= E476), H415 (= H477), N451 (= N513)
binding manganese (ii) ion: H370 (= H431), H377 (= H438), E414 (= E476)
binding pyruvic acid: R319 (= R378), H370 (= H431), H377 (= H438), H415 (= H477)

8jdeA Crystal structure of mldhd in complex with d-lactate (see paper)
25% identity, 51% coverage: 32:518/962 of query aligns to 28:455/455 of 8jdeA

query
sites
8jdeA

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-

Q

-

H

-

L

-

M

F

I

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

F

I

L
x
I

S

T

E

S

I

T

T

T

Y

L

N

R

T

L

V

H

P

P

E

A

H

P

A

E

H

A

K

T

A

V

N

A

A

A

L

T

L

C

M

A

Y

F

P

P

D

S

I

V

G

Q

E

A

A

A

C

V

R

D

A

S

V

T

A

V

-

Q

-

I

L

L

M

Q

K

A

P

A

T

V

P

P

V

V

S

A

A

R

V

I

E

E

L

F

M

L

D

D

R

D

A

V

S

M

L

M

R

D

S

A

V

C

E

N

G

R

K

H

P

S

G

K

M

L

P

N

D

-

F

-

I

-

G

-

L

-

G

C

P

P

D

V

A

A

S

P

A

T

L

L

L

F

V

L

E

E

I

F

R

H

G

G

E

S

D

Q

A

Q

A

T

A

-

L

L

D

A

A

E

N

Q

I

L

A

Q

A

R

V

T

S

E

A

A

V

I

I

-

A

-

Q

-

T

T

Q

Q

T

D

L

N

F

G

P

G

P

S

T

H

F

F

T

S

T

W

D

A

A

A

K

E

L

K

G

N

E

E

S

-

Y

L

W

W

K

A

I

A

R
|
R

K

H

G

N

L

A

F
x
W

P

Y

A

A

V

A

G

L

A

A

M

L

R

S

K

P

V

-

G

G

T

S

T

K

V

A

I

Y

I

S

E

T

D

D

V

V

A

C

Y

V

P

P

L

I

D

S

R

R

L

L

A

P

E

E

A

I

T

L

V

V

E

E

L

T

Q

K

A

E

M

E

F

I

L

K

K

A

F

S

G

K

Y

L

T

T

E

G

A

A

I

I

I

V

F

-

G

G

H
|
H

A

V

L

G

E

D

G

G

N

N

L

F

H
|
H

F

C

V

I

F

L

T

L

Q

V

A

D

F

P

D

D

T

D

D

A

E

E

V

Q

D

R

R

R

Y

V

R

K

R

A

F

F

M

A

D

E

A

N

V

L

C

G

D

R

Q

R

V

A

V

L

R

-

K

A

Y

L

D

G

G

G

S

T

L

C

K

T

A

G

E
|
E

H
|
H

G

G

T

I

G

G

R

L

N

G

M

K

A

R

P

Q

F

L

V

L

E

Q

M

E

E

E

W

V

G

G

P

P

Q

V

A

G

Y

V

G

E

L

T

M

M

K

R

E

Q

I

L

K

K

A

N

L

T

L

L

D

D

P

P

Q

R

G

G

L

L

L

M

N
|
N

P

P

G

G

V

K

I

V

L

L

binding flavin-adenine dinucleotide: P68 (vs. gap), G70 (≠ R72), T71 (≠ A73), G72 (≠ A74), T73 (≠ G75), G74 (≠ T76), G78 (= G80), V79 (≠ Q81), L90 (= L91), P132 (= P133), G133 (≠ A134), A134 (= A137), G140 (= G143), M141 (≠ I144), A143 (= A146), T144 (≠ N147), A146 (= A149), S147 (= S150), E200 (= E251), G201 (= G252), I206 (≠ L257), W322 (≠ F382), E413 (= E476), H414 (= H477), N450 (= N513)
binding lactic acid: R318 (= R378), H369 (= H431), H376 (= H438), H414 (= H477)
binding manganese (ii) ion: H369 (= H431), H376 (= H438), E413 (= E476)

8jdtA Crystal structure of mldhd in complex with 2-ketobutanoic acid (see paper)
25% identity, 51% coverage: 32:518/962 of query aligns to 28:455/455 of 8jdtA

query
sites
8jdtA

Y

H

G

G

T

H

D

D

G

E

S

S

F

M

Y

H

R

R

L

C

I

Q

P

P

-

P

K

D

I

A

V

V

A

V

I

W

V

P

E

Q

A

N

E

V

G

D

E

Q

V

V

V

S

R

R

L

V

L

A

N

S

L

L

C

C

R

Y

E

N

L

Q

K

G

T

V

P

P

V

I

T

I

-
x
P

F

F

R
x
G

A
x
T

A
x
G

G
x
T

T
x
G

S

V

L

E

S

G

G
|
G

Q
x
V

-

C

A

A

V

V

T

Q

D

G

S

G

V

V

L

C

V

I

L

N

L
|
L

G

T

D

H

S

M

W

D

R

Q

G

I

C

T

T

E

I

L

P

N

P

T

G

E

A

D

A

F

T

S

V

V

T

V

L

V

Q

E

P

P

G

G

V

V

I

T

G

R

A

K

E

A

A

L

N

N

R

T

K

H

L

L

A

R

P

D

F

S

G

G

R

L

K

W

I

F

G

P

P

V

D

D

P
|
P

A
x
G

S

-

I

-

A
|
A

T

D

A

A

K

S

I

L

G

C

G
|
G

I
x
M

A

A

A
|
A

N
x
T

N

G

A
|
A

S
|
S

G

G

M

T

C

N

C

A

G

V

T

R

A

Y

Q

G

N

T

S

M

Y

R

R

D

T

N

L

V

A

I

S

N

M

L

R

E

L

V

V

V

L

L

A

P

D

D

G

G

T

R

L

L

D

H

T

T

G

A

D

G

A

-

S

-

R

-

A

-

F

-

A

-

V

-

S

-

H

-

G

-

A

-

L

-

S

-

G

-

L

-

S

-

D

-

L

-

A

-

R

-

T

-

R

-

A

-

D

-

K

-

L

-

A

-

E

-

R

-

I

-

R

R

N

G

K

R

F

H

R

Y

I

R

K

K

N

S

T

A

G

G

Y

Y

S

N

L

L

N

T

A

G

L

L

V

-

D

-

F

-

E

-

P

-

V

-

E

-

I

-

L

-

Q

-

H

-

L

-

M

F

I

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

F

I

L
x
I

S

T

E

S

I

T

T

T

Y

L

N

R

T

L

V

H

P

P

E

A

H

P

A

E

H

A

K

T

A

V

N

A

A

A

L

T

L

C

M

A

Y

F

P

P

D

S

I

V

G

Q

E

A

A

A

C

V

R

D

A

S

V

T

A

V

-

Q

-

I

L

L

M

Q

K

A

P

A

T

V

P

P

V

V

S

A

A

R

V

I

E

E

L

F

M

L

D

D

R

D

A

V

S

M

L

M

R

D

S

A

V

C

E

N

G

R

K

H

P

S

G

K

M

L

P

N

D

-

F

-

I

-

G

-

L

-

G

C

P

P

D

V

A

A

S

P

A

T

L

L

L

F

V

L

E

E

I

F

R

H

G

G

E

S

D

Q

A

Q

A

T

A

-

L

L

D

A

A

E

N

Q

I

L

A

Q

A

R

V

T

S

E

A

A

V

I

I

-

A

-

Q

-

T

T

Q

Q

T

D

L

N

F

G

P

G

P

S

T

H

F

F

T

S

T

W

D

A

A

E

K

K

L

R

G

N

E

E

S

-

Y

L

W

W

K

A

I

A

R
|
R

K

H

G

N

L

A

F
x
W

P

Y

A

A

V

A

G

L

A

A

M

L

R

S

K

P

V

-

G

G

T

S

T

K

V

A

I

Y

I

S

E

T

D

D

V

V

A

C

Y

V

P

P

L

I

D

S

R

R

L

L

A

P

E

E

A

I

T

L

V

V

E

E

L

T

Q

K

A

E

M

E

F

I

L

K

K

A

F

S

G

K

Y

L

T

T

E

G

A

A

I

I

I

V

F

-

G

G

H
|
H

A

V

L

G

E

D

G

G

N

N

L

F

H
|
H

F

C

V

I

F

L

T

L

Q

V

A

D

F

P

D

D

T

D

D

A

E

E

V

Q

D

R

R

R

Y

V

R

K

R

A

F

F

M

A

D

E

A

N

V

L

C

G

D

R

Q

R

V

A

V

L

R

-

K

A

Y

L

D

G

G

G

S

T

L

C

K

T

A

G

E
|
E

H
|
H

G

G

T

I

G

G

R

L

N

G

M

K

A

R

P

Q

F

L

V

L

E

Q

M

E

E

E

W

V

G

G

P

P

Q

V

A

G

Y

V

G

E

L

T

M

M

K

R

E

Q

I

L

K

K

A

N

L

T

L

L

D

D

P

P

Q

R

G

G

L

L

L

M

N
|
N

P

P

G

G

V

K

I

V

L

L

binding 2-ketobutyric acid: R318 (= R378), H369 (= H431), H376 (= H438), H414 (= H477)
binding flavin-adenine dinucleotide: P68 (vs. gap), G70 (≠ R72), T71 (≠ A73), G72 (≠ A74), T73 (≠ G75), G74 (≠ T76), G78 (= G80), V79 (≠ Q81), L90 (= L91), P132 (= P133), G133 (≠ A134), A134 (= A137), G140 (= G143), M141 (≠ I144), A143 (= A146), T144 (≠ N147), A146 (= A149), S147 (= S150), E200 (= E251), G201 (= G252), I206 (≠ L257), W322 (≠ F382), E413 (= E476), H414 (= H477), N450 (= N513)
binding manganese (ii) ion: H369 (= H431), H376 (= H438), E413 (= E476)

8jduA Crystal structure of mldhd in complex with 2-ketovaleric acid (see paper)
24% identity, 51% coverage: 32:518/962 of query aligns to 28:455/455 of 8jduA

query
sites
8jduA

Y

H

G

G

T

H

D

D

G

E

S

S

F

M

Y

H

R

R

L

C

I

Q

P

P

-

P

K

D

I

A

V

V

A

V

I

W

V

P

E

Q

A

N

E

V

G

D

E

Q

V

V

V

S

R

R

L

V

L

A

N

S

L

L

C

C

R

Y

E

N

L

Q

K

G

T

V

P

P

V

I

T

I

-
x
P

F

F

R
x
G

A
x
T

A
x
G

G
x
T

T
x
G

S

V

L

E

S

G

G
|
G

Q
x
V

-

C

A

A

V

V

T

Q

D

G

S

G

V

V

L

C

V

I

L

N

L
|
L

G

T

D

H

S

M

W

D

R

Q

G

I

C

T

T

E

I

L

P

N

P

T

G

E

A

D

A

F

T

S

V

V

T

V

L

V

Q

E

P

P

G

G

V

V

I

T

G

R

A

K

E

A

A

L

N

N

R

T

K

H

L

L

A

R

P

D

F

S

G

G

R

L

K

W

I

F

G

P

P

V

D

D

P
|
P

A
x
G

S

-

I

-

A
|
A

T

D

A

A

K

S

I

L

G

C

G
|
G

I
x
M

A

A

A
|
A

N
x
T

N

G

A
|
A

S
|
S

G

G

M

T

C

N

C

A

G

V

T

R

A

Y

Q

G

N

T

S

M

Y

R

R

D

T

N

L

V

A

I

S

N

M

L

R

E

L

V

V

V

L

L

A

P

D

D

G

G

T

R

L

L

D

H

T

T

G

A

D

G

A

-

S

-

R

-

A

-

F

-

A

-

V

-

S

-

H

-

G

-

A

-

L

-

S

-

G

-

L

-

S

-

D

-

L

-

A

-

R

-

T

-

R

-

A

-

D

-

K

-

L

-

A

-

E

-

R

-

I

-

R

R

N

G

K

R

F

H

R

Y

I

R

K

K

N

S

T

A

G

G

Y

Y

S

N

L

L

N

T

A

G

L

L

V

-

D

-

F

-

E

-

P

-

V

-

E

-

I

-

L

-

Q

-

H

-

L

-

M

F

I

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

F

I

L
x
I

S

T

E

S

I

T

T

T

Y

L

N

R

T

L

V

H

P

P

E

A

H

P

A

E

H

A

K

T

A

V

N

A

A

A

L

T

L

C

M

A

Y

F

P

P

D

S

I

V

G

Q

E

A

A

A

C

V

R

D

A

S

V

T

A

V

-

Q

-

I

L

L

M

Q

K

A

P

A

T

V

P

P

V

V

S

A

A

R

V

I

E

E

L

F

M

L

D

D

R

D

A

V

S

M

L

M

R

D

S

A

V

C

E

N

G

R

K

H

P

S

G

K

M

L

P

N

D

-

F

-

I

-

G

-

L

-

G

C

P

P

D

V

A

A

S

P

A

T

L

L

L

F

V

L

E

E

I

F

R

H

G

G

E

S

D

Q

A

Q

A

T

A

-

L

L

D

A

A

E

N

Q

I

L

A

Q

A

R

V

T

S

E

A

A

V

I

I

T

A

Q

Q

N

T

G

Q

G

T

S

L

-

F

-

P

-

T

H

F

F

T

S

T

W

D

A

A

A

K

E

L

K

G

R

E

N

S

E

Y

L

W

W

K

A

I

A

R
|
R

K

H

G

N

L

A

F
x
W

P

Y

A

A

V

A

G

L

A

A

M

L

R

S

K

P

V

-

G

G

T

S

T

K

V

A

I

Y

I

S

E

T

D

D

V

V

A

C

Y

V

P

P

L

I

D

S

R

R

L

L

A

P

E

E

A

I

T

L

V

V

E

E

L

T

Q

K

A

E

M

E

F

I

L

K

K

A

F

S

G

K

Y

L

T

T

E

G

A

A

I

I

I

V

F

-

G

G

H
|
H

A

V

L

G

E

D

G

G

N

N

L

F

H
|
H

F

C

V

I

F

L

T

L

Q

V

A

D

F

P

D

D

T

D

D

A

E

E

V

Q

D

R

R

R

Y

V

R

K

R

A

F

F

M

A

D

E

A

N

V

L

C

G

D

R

Q

R

V

A

V

L

R

-

K

A

Y

L

D

G

G

G

S

T

L

C

K

T

A

G

E
|
E

H
|
H

G

G

T

I

G

G

R

L

N

G

M

K

A

R

P

Q

F

L

V

L

E

Q

M

E

E

E

W

V

G

G

P

P

Q

V

A

G

Y

V

G

E

L

T

M

M

K

R

E

Q

I

L

K

K

A

N

L

T

L

L

D

D

P

P

Q

R

G

G

L

L

L

M

N
|
N

P

P

G

G

V

K

I

V

L

L

binding 2-oxopentanoic acid: R318 (= R378), W322 (≠ F382), H369 (= H431), H376 (= H438), H414 (= H477)
binding flavin-adenine dinucleotide: P68 (vs. gap), G70 (≠ R72), T71 (≠ A73), G72 (≠ A74), T73 (≠ G75), G74 (≠ T76), G78 (= G80), V79 (≠ Q81), L90 (= L91), P132 (= P133), G133 (≠ A134), A134 (= A137), G140 (= G143), M141 (≠ I144), A143 (= A146), T144 (≠ N147), A146 (= A149), S147 (= S150), E200 (= E251), G201 (= G252), I206 (≠ L257), W322 (≠ F382), E413 (= E476), N450 (= N513)
binding manganese (ii) ion: H369 (= H431), H376 (= H438), E413 (= E476)

8jdxA Crystal structure of mldhd in complex with 2-ketoisovaleric acid (see paper)
25% identity, 51% coverage: 32:518/962 of query aligns to 28:455/455 of 8jdxA

query
sites
8jdxA

Y

H

G

G

T

H

D

D

G
x
E

S

S

F

M

Y

H

R

R

L

C

I

Q

P

P

-

P

K

D

I

A

V

V

A

V

I

W

V

P

E

Q

A

N

E

V

G

D

E

Q

V

V

V

S

R

R

L

V

L

A

N

S

L

L

C

C

R

Y

E

N

L

Q

K

G

T

V

P

P

V

I

T

I

-
x
P

F

F

R
x
G

A
x
T

A
x
G

G
x
T

T
x
G

S

V

L

E

S

G

G
|
G

Q
x
V

-

C

A

A

V

V

T

Q

D

G

S

G

V

V

L

C

V

I

L

N

L
|
L

G

T

D

H

S

M

W

D

R

Q

G

I

C

T

T

E

I

L

P

N

P

T

G

E

A

D

A

F

T

S

V

V

T

V

L

V

Q

E

P

P

G

G

V

V

I

T

G

R

A

K

E

A

A

L

N

N

R

T

K

H

L

L

A

R

P

D

F

S

G

G

R

L

K

W

I

F

G

P

P

V

D

D

P
|
P

A
x
G

S

-

I

-

A
|
A

T

D

A

A

K

S

I

L

G

C

G
|
G

I
x
M

A

A

A
|
A

N
x
T

N

G

A
|
A

S
|
S

G

G

M

T

C

N

C

A

G

V

T

R

A

Y

Q

G

N

T

S

M

Y

R

R

D

T

N

L

V

A

I

S

N

M

L

R

E

L

V

V

V

L

L

A

P

D

D

G

G

T

R

L

L

D

H

T

T

G

A

D

G

A

-

S

-

R

-

A

-

F

-

A

-

V

-

S

-

H

-

G

-

A

-

L

-

S

-

G

-

L

-

S

-

D

-

L

-

A

-

R

-

T

-

R

-

A

-

D

-

K

-

L

-

A

-

E

-

R

-

I

-

R

R

N

G

K

R

F

H

R

Y

I

R

K

K

N

S

T

A

G

G

Y

Y

S

N

L

L

N

T

A

G

L

L

V

-

D

-

F

-

E

-

P

-

V

-

E

-

I

-

L

-

Q

-

H

-

L

-

M

F

I

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

F

I

L
x
I

S

T

E

S

I

T

T

T

Y

L

N

R

T

L

V

H

P

P

E

A

H

P

A

E

H

A

K

T

A

V

N

A

A

A

L

T

L

C

M

A

Y

F

P

P

D

S

I

V

G

Q

E

A

A

A

C

V

R

D

A

S

V

T

A

V

-

Q

-

I

L

L

M

Q

K

A

P

A

T

V

P

P

V

V

S

A

A

R

V

I

E

E

L

F

M

L

D

D

R

D

A

V

S

M

L

M

R

D

S

A

V

C

E

N

G

R

K

H

P

-

G

-

M

-

P

-

D

-

F

-

I

-

G

-

G

S

L

L

G

N

-

C

P

P

D

V

A

A

S

P

A

T

L

L

L

F

V

L

E

E

I

F

R

H

G

G

E

S

D

Q

A

Q

A

T

A

-

L

L

D

A

A

E

N

Q

I

L

A

Q

A

R

V

T

S

E

A

A

V

I

I

-

A

-

Q

-

T

T

Q

Q

T

D

L

N

F

G

P

G

P

S

T

H

F

F

T

S

T

W

D

A

A

A

K

E

L

K

G

R

E

N

S

E

Y

L

W

W

K

A

I

A

R
|
R

K

H

G

N

L

A

F
x
W

P

Y

A

A

V

A

G

L

A

A

M

L

R

S

K

P

V

-

G

G

T

S

T

K

V

A

I

Y

I

S

E

T

D

D

V

V

A

C

Y

V

P

P

L

I

D

S

R

R

L

L

A

P

E

E

A

I

T

L

V

V

E

E

L

T

Q

K

A

E

M

E

F

I

L

K

K

A

F

S

G

K

Y

L

T

T

E

G

A

A

I

I

I

V

F

-

G

G

H
|
H

A

V

L

G

E

D

G

G

N

N

L

F

H
|
H

F

C

V

I

F

L

T

L

Q

V

A

D

F

P

D

D

T

D

D

A

E

E

V

Q

D

R

R

R

Y

V

R

K

R

A

F

F

M

A

D

E

A

N

V

L

C

G

D

R

Q

R

V

A

V

L

R

-

K

A

Y

L

D

G

G

G

S

T

L

C

K

T

A

G

E
|
E

H
|
H

G

G

T

I

G

G

R

L

N

G

M

K

A

R

P

Q

F

L

V

L

E

Q

M

E

E

E

W

V

G

G

P

P

Q

V

A

G

Y

V

G

E

L

T

M

M

K

R

E

Q

I

L

K

K

A

N

L

T

L

L

D

D

P

P

Q

R

G

G

L

L

L

M

N
|
N

P

P

G

G

V

K

I

V

L

L

binding flavin-adenine dinucleotide: E32 (≠ G36), P68 (vs. gap), G70 (≠ R72), T71 (≠ A73), G72 (≠ A74), T73 (≠ G75), G74 (≠ T76), G78 (= G80), V79 (≠ Q81), L90 (= L91), P132 (= P133), G133 (≠ A134), A134 (= A137), G140 (= G143), M141 (≠ I144), A143 (= A146), T144 (≠ N147), A146 (= A149), S147 (= S150), E200 (= E251), G201 (= G252), I206 (≠ L257), W322 (≠ F382), E413 (= E476), H414 (= H477), N450 (= N513)
binding 3-methyl-2-oxobutanoic acid: R318 (= R378), H369 (= H431), H376 (= H438), H414 (= H477)
binding manganese (ii) ion: H369 (= H431), H376 (= H438), E413 (= E476)

8jdvA Crystal structure of mldhd in complex with 2-ketohexanoic acid (see paper)
25% identity, 51% coverage: 32:518/962 of query aligns to 28:454/454 of 8jdvA

query
sites
8jdvA

Y

H

G

G

T

H

D

D

G

E

S

S

F

M

Y

H

R

R

L

C

I

Q

P

P

-

P

K

D

I

A

V

V

A

V

I

W

V

P

E

Q

A

N

E

V

G

D

E

Q

V

V

V

S

R

R

L

V

L

A

N

S

L

L

C

C

R

Y

E

N

L

Q

K

G

T

V

P

P

V

I

T

I

-
x
P

F

F

R
x
G

A
x
T

A
x
G

G
x
T

T
x
G

S
x
V

L

E

S

G

G
|
G

Q
x
V

-

C

A

A

V

V

T

Q

D

G

S

G

V

V

L

C

V

I

L

N

L
|
L

G

T

D

H

S

M

W

D

R

Q

G

I

C

T

T

E

I

L

P

N

P

T

G

E

A

D

A

F

T

S

V

V

T

V

L

V

Q

E

P

P

G

G

V

V

I

T

G

R

A

K

E

A

A

L

N

N

R

T

K

H

L

L

A

R

P

D

F

S

G

G

R

L

K

W

I

F

G

P

P

V

D

D

P
|
P

A
x
G

S

-

I

-

A
|
A

T

D

A

A

K

S

I

L

G

C

G
|
G

I
x
M

A

A

A
|
A

N
x
T

N

G

A
|
A

S
|
S

G

G

M

T

C

N

C

A

G

V

T

R

A

Y

Q

G

N

T

S

M

Y

R

R

D

T

N

L

V

A

I

S

N

M

L

R

E

L

V

V

V

L

L

A

P

D

D

G

G

T

R

L

L

D

H

T

T

G

-

D

-

A

-

S

-

R

-

A

-

F

-

A

-

V

-

S

-

H

-

G

-

A

-

L

-

S

-

G

-

L

-

S

-

D

-

L

-

A

A

A

G

R

R

T

G

R

R

A

-

D

-

K

-

L

-

A

-

E

-

R

-

I

-

R

-

N

-

K

H

F

Y

R

R

I

-

K

K

N

S

T

A

G

G

Y

Y

S

N

L

L

N

T

A

G

L

L

V

-

D

-

F

-

E

-

P

-

V

-

E

-

I

-

L

-

Q

-

H

-

L

-

M

F

I

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

F

I

L
x
I

S

T

E

S

I

T

T

T

Y

L

N

R

T

L

V

H

P

P

E

A

H

P

A

E

H

A

K

T

A

V

N

A

A

A

L

T

L

C

M

A

Y

F

P

P

D

S

I

V

G

Q

E

A

A

A

C

V

R

D

A

S

V

T

A

V

-

Q

-

I

L

L

M

Q

K

A

P

A

T

V

P

P

V

V

S

A

A

R

V

I

E

E

L

F

M

L

D

D

R

D

A

V

S

M

L

M

R

D

S

A

V

C

E

N

G

R

K

H

P

S

G

K

M

L

P

N

D

-

F

-

I

-

G

-

L

-

G

C

P

P

D

V

A

A

S

P

A

T

L

L

L

F

V

L

E

E

I

F

R

H

G

G

E

S

D

Q

A

Q

A

T

A

-

L

L

D

A

A

E

N

Q

I

L

A

Q

A

R

V

T

S

E

A

A

V

I

I

-

A

-

Q

-

T

T

Q

Q

T

D

L

N

F

G

P

G

P

S

T

H

F

F

T

S

T

A

D

E

A

K

K

R

L

-

G

-

E

N

S

E

Y

L

W

W

K

A

I

A

R
|
R

K

H

G

N

L

A

F
x
W

P
x
Y

A

A

V

A

G

L

A

A

M

L

R

S

K

P

V

-

G

G

T

S

T

K

V

A

I

Y

I

S

E

T

D

D

V

V

A

C

Y

V

P

P

L

I

D

S

R

R

L

L

A

P

E

E

A

I

T

L

V

V

E

E

L

T

Q

K

A

E

M

E

F

I

L

K

K

A

F

S

G

K

Y

L

T

T

E

G

A

A

I

I

I

V

F

-

G

G

H
|
H

A

V

L

G

E

D

G

G

N

N

L

F

H
|
H

F

C

V

I

F

L

T

L

Q

V

A

D

F

P

D

D

T

D

D

A

E

E

V

Q

D

R

R

R

Y

V

R

K

R

A

F

F

M

A

D

E

A

N

V

L

C

G

D

R

Q

R

V

A

V

L

R

-

K

A

Y

L

D

G

G

G

S

T

L

C

K

T

A

G

E
|
E

H
|
H

G

G

T

I

G

G

R

L

N

G

M

K

A

R

P

Q

F

L

V

L

E

Q

M

E

E

E

W

V

G

G

P

P

Q

V

A

G

Y

V

G

E

L

T

M

M

K

R

E

Q

I

L

K

K

A

N

L

T

L

L

D

D

P

P

Q

R

G

G

L

L

L

M

N
|
N

P

P

G

G

V

K

I

V

L

L

binding 2-Ketohexanoic acid: V75 (≠ S77), R317 (= R378), W321 (≠ F382), H368 (= H431), H375 (= H438), H413 (= H477)
binding flavin-adenine dinucleotide: P68 (vs. gap), G70 (≠ R72), T71 (≠ A73), G72 (≠ A74), T73 (≠ G75), G74 (≠ T76), G78 (= G80), V79 (≠ Q81), L90 (= L91), P132 (= P133), G133 (≠ A134), A134 (= A137), G140 (= G143), M141 (≠ I144), A143 (= A146), T144 (≠ N147), A146 (= A149), S147 (= S150), E200 (= E251), G201 (= G252), I206 (≠ L257), W321 (≠ F382), Y322 (≠ P383), E412 (= E476), H413 (= H477), N449 (= N513)
binding manganese (ii) ion: H368 (= H431), H375 (= H438), E412 (= E476)

8jdrA Crystal structure of h405a mldhd in complex with d-2-hydroxy-3-methyl- valeric acid (see paper)
24% identity, 51% coverage: 32:518/962 of query aligns to 28:456/456 of 8jdrA

query
sites
8jdrA

Y

H

G

G

T

H

D

D

G

E

S

S

F

M

Y

H

R

R

L

C

I

Q

P

P

-

P

K

D

I

A

V

V

A

V

I

W

V

P

E

Q

A

N

E

V

G

D

E

Q

V

V

V

S

R

R

L

V

L

A

N

S

L

L

C

C

R

Y

E

N

L

Q

K

G

T

V

P

P

V

I

T

I

-
x
P

F

F

R
x
G

A
x
T

A
x
G

G
x
T

T
x
G

S

V

L

E

S

G

G
|
G

Q
x
V

-

C

A

A

V

V

T

Q

D

G

S

G

V

V

L

C

V

I

L

N

L
|
L

G

T

D

H

S

M

W

D

R

Q

G

I

C

T

T

E

I

L

P

N

P

T

G

E

A

D

A

F

T

S

V

V

T

V

L

V

Q

E

P

P

G

G

V

V

I

T

G

R

A

K

E

A

A

L

N

N

R

T

K

H

L

L

A

R

P

D

F

S

G

G

R

L

K

W

I

F

G

P

P

V

D

D

P
|
P

A
x
G

S

-

I

-

A
|
A

T

D

A

A

K

S

I

L

G

C

G
|
G

I
x
M

A

A

A
|
A

N
x
T

N

G

A
|
A

S
|
S

G

G

M

T

C

N

C

A

G

V

T

R

A

Y

Q

G

N

T

S

M

Y

R

R

D

T

N

L

V

A

I

S

N

M

L

R

E

L

V

V

V

L

L

A

P

D

D

G

G

T

R

L

L

D

H

T

T

G

A

D

G

A

-

S

-

R

-

A

-

F

-

A

-

V

-

S

-

H

-

G

-

A

-

L

-

S

-

G

-

L

-

S

-

D

-

L

-

A

-

R

-

T

-

R

-

A

-

D

-

K

-

L

-

A

-

E

-

R

-

I

-

R

R

N

G

K

R

F

H

R

Y

I

R

K

K

N

S

T

A

G

G

Y

Y

S

N

L

L

N

T

A

G

L

L

V

-

D

-

F

-

E

-

P

-

V

-

E

-

I

-

L

-

Q

-

H

-

L

-

M

F

I

V

G

G

S

S

E
|
E

G
|
G

T

T

L

L

G

G

F

I

L
x
I

S

T

E

S

I

T

T

T

Y

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N

R

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L

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H

P

P

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A

H

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A

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H

A

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N

A

A

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L

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P

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A

A

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D

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F

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L

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W

K

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|
R

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x
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Y

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L

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G

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L

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A

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V

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A

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L

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K

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Y

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A

A

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I

I

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F

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|
H

A

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L

G

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D

G

G

N

N

L

F

H

A

F

C

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I

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A

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K

A

Y

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G

G

G

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T

L

C

K

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A

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E
|
E

H
|
H

G

G

T

I

G

G

R

L

N

G

M

K

A

R

P

Q

F

L

V

L

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M

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W

V

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G

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A

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Y

V

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L

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M

M

K

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Q

I

L

K

K

A

N

L

T

L

L

D

D

P

P

Q

R

G

G

L

L

L

M

N
|
N

P

P

G

G

V

K

I

V

L

L

binding flavin-adenine dinucleotide: P68 (vs. gap), G70 (≠ R72), T71 (≠ A73), G72 (≠ A74), T73 (≠ G75), G74 (≠ T76), G78 (= G80), V79 (≠ Q81), L90 (= L91), P132 (= P133), G133 (≠ A134), A134 (= A137), G140 (= G143), M141 (≠ I144), A143 (= A146), T144 (≠ N147), A146 (= A149), S147 (= S150), E200 (= E251), G201 (= G252), I206 (≠ L257), Y324 (≠ P383), H370 (= H431), E414 (= E476), N451 (= N513)
binding (2R,3S)-3-methyl-2-oxidanyl-pentanoic acid: R319 (= R378), W323 (≠ F382), H415 (= H477)

8jdqA Crystal structure of h405a mldhd in complex with d-2-hydroxyisocaproic acid (see paper)
24% identity, 51% coverage: 32:518/962 of query aligns to 28:456/456 of 8jdqA

query
sites
8jdqA

Y

H

G

G

T

H

D

D

G

E

S

S

F

M

Y

H

R

R

L

C

I

Q

P

P

-

P

K

D

I

A

V

V

A

V

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W

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N

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R

L

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L

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L

L

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C

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Y

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N

L

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K

G

T

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P

P

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I

T

I

-
x
P

F

F

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x
G

A
x
T

A
x
G

G
x
T

T
x
G

S

V

L

E

S

G

G
|
G

Q
x
V

-

C

A

A

V

V

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D

G

S

G

V

V

L

C

V

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L

N

L
|
L

G

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M

W

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N

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N

N

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L

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G

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L

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W

I

F

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D

D

P
|
P

A
x
G

S

-

I

-

A
|
A

T

D

A

A

K

S

I

L

G

C

G
|
G

I
x
M

A

A

A
|
A

N
x
T

N

G

A
|
A

S
|
S

G

G

M

T

C

N

C

A

G

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A

Y

Q

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G

G

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|
E

G
|
G

T

T

L

L

G

G

F

I

L
x
I

S

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S

I

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W

W

K

A

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|
R

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x
W

P

Y

A

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A

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A

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A

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