SitesBLAST

S109 (≠ E204) to W: in D2HGA1; uncertain significance; significant loss of catalytic activity; dbSNP:rs142050154
N127 (≠ I222) to K: in D2HGA1; uncertain significance; complete loss of catalytic activity; dbSNP:rs762857195
G131 (= G226) to V: in D2HGA1; uncertain significance; complete loss of catalytic activity
I147 (= I244) to S: in D2HGA1; uncertain significance; severe phenotype; almost complete loss of catalytic activity; dbSNP:rs121434361
M153 (≠ L249) to T: in D2HGA1; uncertain significance; significant loss of catalytic activity; to V: in D2HGA1; uncertain significance; significant loss of catalytic activity; dbSNP:rs1432270139
C172 (≠ V276) to Y: in D2HGA1; uncertain significance; moderate reduction in catalytic activity; dbSNP:rs773735172
P189 (≠ A293) to L: in D2HGA1; uncertain significance; almost complete loss of catalytic activity; dbSNP:rs587783517
A205 (= A309) to V: in D2HGA1; uncertain significance; almost complete loss of catalytic activity; dbSNP:rs750889931
A231 (≠ P335) to V: in D2HGA1; uncertain significance; significant loss of catalytic activity
G233 (= G337) to S: in D2HGA1; uncertain significance; no effect on catalytic activity; dbSNP:rs374535734
D375 (≠ S532) to Y: in D2HGA1; uncertain significance; moderate reduction in catalytic activity; dbSNP:rs267606759
R386 (= R543) binding (R)-2-hydroxyglutarate; binding (R)-lactate; binding (R)-malate; mutation to A: Loss of catalytic activity.
T390 (= T546) binding (R)-2-hydroxyglutarate; binding (R)-malate; mutation to A: Significantly reduced catalytic activity.
V399 (≠ A555) to M: in D2HGA1; uncertain significance; moderate reduction in catalytic activity; dbSNP:rs746519212
K401 (= K557) binding (R)-2-hydroxyglutarate; binding (R)-malate; mutation to A: Loss of catalytic activity.

Sites not aligning to the query:

15 R → G: in dbSNP:rs4675887
169:521 natural variant: Missing (in D2HGA1; uncertain significance)
400:521 natural variant: Missing (in D2HGA1; uncertain significance; complete loss of catalytic activity)
419 R → H: in D2HGA1; uncertain significance; moderate reduction in catalytic activity; dbSNP:rs199908032
426 A → T: in D2HGA1; uncertain significance; no effect on catalytic activity; dbSNP:rs146578303
434 binding Zn(2+); H→A: Loss of catalytic activity.
436 G → V: slight reduction in catalytic activity
439 N → D: in D2HGA1; uncertain significance; mild phenotype; moderate reduction in catalytic activity; dbSNP:rs121434362
441 binding Zn(2+); H→A: Loss of catalytic activity.
443 binding (R)-2-hydroxyglutarate; N→A: Significantly reduced catalytic activity.
444 V → A: in D2HGA1; uncertain significance; severe phenotype; significant reduction in catalytic activity; dbSNP:rs121434360
446 A → V: in D2HGA1; uncertain significance; moderate reduction in catalytic activity; dbSNP:rs746956176
475 binding Zn(2+); E→A: Loss of catalytic activity.
476 binding (R)-2-hydroxyglutarate; binding (R)-lactate; binding (R)-malate; H→A: Loss of catalytic activity.
477 G → R: in D2HGA1; uncertain significance; almost complete loss of catalytic activity; dbSNP:rs1453924640

8jdvA Crystal structure of mldhd in complex with 2-ketohexanoic acid (see paper)
25% identity, 29% coverage: 180:571/1339 of query aligns to 25:347/454 of 8jdvA

query
sites
8jdvA

R

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binding 2-Ketohexanoic acid: V75 (≠ Y230), R317 (= R543), W321 (vs. gap)
binding flavin-adenine dinucleotide: P68 (= P223), G70 (= G225), T71 (≠ G226), G72 (= G227), T73 (= T228), G74 (= G229), G78 (= G233), V79 (≠ A234), L90 (≠ T246), P132 (= P296), G133 (≠ T297), A134 (≠ S298), G140 (= G306), M141 (≠ N307), A143 (= A309), T144 (≠ M310), A146 (= A312), S147 (≠ G313), E200 (= E411), G201 (= G412), I206 (= I417), W321 (vs. gap), Y322 (vs. gap)

Sites not aligning to the query:

8jdsA Crystal structure of mldhd in complex with pyruvate (see paper)
25% identity, 29% coverage: 180:571/1339 of query aligns to 25:349/456 of 8jdsA

query
sites
8jdsA

R

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x
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E

binding flavin-adenine dinucleotide: E32 (≠ A187), P68 (= P223), G70 (= G225), T71 (≠ G226), G72 (= G227), T73 (= T228), G74 (= G229), G78 (= G233), V79 (≠ A234), L90 (≠ T246), P132 (= P296), G133 (≠ T297), A134 (≠ S298), G140 (= G306), M141 (≠ N307), A143 (= A309), T144 (≠ M310), A146 (= A312), S147 (≠ G313), E200 (= E411), G201 (= G412), I206 (= I417), W323 (vs. gap)
binding pyruvic acid: R319 (= R543)

Sites not aligning to the query:

8jdrA Crystal structure of h405a mldhd in complex with d-2-hydroxy-3-methyl- valeric acid (see paper)
25% identity, 29% coverage: 180:571/1339 of query aligns to 25:349/456 of 8jdrA

query
sites
8jdrA

R

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I

P

L

V

A

A

G

R

L

I

E

E

H

F

L

L

D

D

E

D

R

V

Y

M

L

M

R

D

A

A

V

C

G

N

Y

R

A

H

T

S

K

K

S

L

K

N

R

C

N

P

A

V

F

A

P

P

K

T

M

L

V

F

L

L

I

-

G

-

D

E

I

F

V

H

G

G

D

S

D

Q

A

Q

D

T

A

L

V

A

A

E

Q

Q

A

L

T

Q

-

R

S

T

E

E

V

A

I

I

R

T

M

Q

A

D

N

N

G

G

K

G

S

S

G

-

E

-

G

-

F

H

V

F

A

S

V

W

S

A

A

A

E

E

A

K

R

R

K

N

R

E

F

L

W

W

L

A

D

A

R
|
R

S

H

R

N

T

A

-
x
W

-
x
Y

A

A

I

L

A

A

K

L

H

S

T

P

N

G

A

S

F

K

K

A

I

Y

N

S

E

T

D

D

V

V

V

C

I

V

P

P

L

I

N

S

R

R

M

L

G

P

E

E

binding flavin-adenine dinucleotide: P68 (= P223), G70 (= G225), T71 (≠ G226), G72 (= G227), T73 (= T228), G74 (= G229), G78 (= G233), V79 (≠ A234), L90 (≠ T246), P132 (= P296), G133 (≠ T297), A134 (≠ S298), G140 (= G306), M141 (≠ N307), A143 (= A309), T144 (≠ M310), A146 (= A312), S147 (≠ G313), E200 (= E411), G201 (= G412), I206 (= I417), Y324 (vs. gap)
binding (2R,3S)-3-methyl-2-oxidanyl-pentanoic acid: R319 (= R543), W323 (vs. gap)

Sites not aligning to the query:

8jdqA Crystal structure of h405a mldhd in complex with d-2-hydroxyisocaproic acid (see paper)
25% identity, 29% coverage: 180:571/1339 of query aligns to 25:349/456 of 8jdqA

query
sites
8jdqA

R

R

V

E

S

Q

H

H

V

G

T

H

D

D

A

E

T

S

D

M

W

H

R

R

V

C

E

Q

Y

P

P

P

F

D

V

A

V

V

L

V

T

W

P

P

D

Q

T

N

E

V

A

D

E

Q

I

V

A

S

A

R

L

V

I

A

K

S

A

L

C

C

F

Y

E

N

L

Q

G

G

L

V

T

P

V

I

I

I

P
|
P

R

F

G
|
G

G
x
T

G
|
G

T
|
T

G
|
G

Y

V

T

E

G

G

G
|
G

A
x
V

V

C

P

A

L

V

T

Q

P

-

F

G

S

G

A

V

V

C

I

I

N

N

T
x
L

E

T

K

H

L

M

E

D

Q

Q

L

I

G

T

A

E

V

L

E

N

L

T

T

E

E

D

L

F

P

-

G

-

V

-

A

-

H

-

K

-

V

-

P

-

T

S

I

V

F

V

S

V

G

E

A

P

G

G

V

V

V

T

T

R

R

K

R

A

V

L

T

N

E

T

A

H

A

L

E

R

A

D

A

S

G

G

Y

L

V

W

F

F

A

P

V

V

D

D

P
|
P

T
x
G

S
x
A

L

-

D

D

A

A

S

S

C

-

I

L

G

C

G
|
G

N
x
M

V

A

A
|
A

M
x
T

N

G

A
|
A

G
x
S

G

G

K

T

K

N

A

A

V

V

L

R

W

Y

G

G

T

T

A

M

L

R

D

D

N

N

L

V

A

I

W

N

W

L

R

E

M

V

V

V

D

L

P

P

D

D

G

G

N

R

W

L

L

L

E

-

V

-

T

-

R

-

H

-

E

-

H

H

N

T

Q

A

G

G

K

R

I

-

H

-

D

-

I

-

A

-

V

-

A

-

R

-

F

-

E

-

L

-

K

-

W

-

F

-

D

-

G

-

A

-

Y

-

A

-

P

-

G

-

E

-

K

-

L

-

R

-

T

-

E

-

M

-

L

-

E

-

I

-

E

-

G

G

R

R

R

H

F

Y

R

R

K

K

E

S

G

A

L

A

G

G

K

Y

D

N

V

L

T

T

D

G

K

L

F

F

L

-

A

-

G

-

L

-

P

-

G

-

V

V

Q

G

K

S

E
|
E

G
|
G

C

T

D

L

G

G

L

I

I
|
I

T

T

S

S

A

T

R

T

W

L

V

R

L

L

H

H

K

P

M

A

P

P

A

E

H

A

T

T

R

V

T

A

V

A

C

T

L

C

E

A

F

-

F

F

G

P

Q

S

A

V

R

Q

E

A

A

A

I

V

P

D

S

S

I

T

V

V

E

Q

I

I

K

-

D

-

Y

-

L

-

F

-

E

-

T

-

S

-

K

L

Q

Q

G

A

A

V

I

P

L

V

A

A

G

R

L

I

E

E

H

F

L

L

D

D

E

D

R

V

Y

M

L

M

R

D

A

A

V

C

G

N

Y

R

A

H

T

S

K

K

S

L

K

N

R

C

N

P

A

V

F

A

P

P

K

T

M

L

V

F

L

L

I

-

G

-

D

E

I

F

V

H

G

G

D

S

D

Q

A

Q

D

T

A

L

V

A

A

E

Q

Q

A

L

T

Q

-

R

S

T

E

E

V

A

I

I

R

T

M

Q

A

D

N

N

G

G

K

G

S

S

G

-

E

-

G

-

F

H

V

F

A

S

V

W

S

A

A

A

E

E

A

K

R

R

K

N

R

E

F

L

W

W

L

A

D

A

R
|
R

S

H

R

N

T

A

-
x
W

-

Y

A

A

I

L

A

A

K

L

H

S

T

P

N

G

A

S

F

K

K

A

I

Y

N

S

E

T

D

D

V

V

V

C

I

V

P

P

L

I

N

S

R

R

M

L

G

P

E

E

binding (2R)-2-hydroxy-4-methylpentanoic acid: R319 (= R543), W323 (vs. gap)
binding flavin-adenine dinucleotide: P68 (= P223), G70 (= G225), T71 (≠ G226), G72 (= G227), T73 (= T228), G74 (= G229), G78 (= G233), V79 (≠ A234), L90 (≠ T246), P132 (= P296), G133 (≠ T297), A134 (≠ S298), G140 (= G306), M141 (≠ N307), A143 (= A309), T144 (≠ M310), A146 (= A312), S147 (≠ G313), E200 (= E411), G201 (= G412), I206 (= I417)

Sites not aligning to the query:

8jdoA Crystal structure of h405a mldhd in complex with d-2-hydroxyhexanoic acid (see paper)
25% identity, 29% coverage: 180:571/1339 of query aligns to 25:349/456 of 8jdoA

query
sites
8jdoA

R

R

V

E

S

Q

H

H

V

G

T

H

D

D

A

E

T

S

D

M

W

H

R

R

V

C

E

Q

Y

P

P

P

F

D

V

A

V

V

L

V

T

W

P

P

D

Q

T

N

E

V

A

D

E

Q

I

V

A

S

A

R

L

V

I

A

K

S

A

L

C

C

F

Y

E

N

L

Q

G

G

L

V

T

P

V

I

I

I

P
|
P

R

F

G
|
G

G
x
T

G
|
G

T
|
T

G
|
G

Y

V

T

E

G

G

G
|
G

A
x
V

V

C

P

A

L

V

T

Q

P

-

F

G

S

G

A

V

V

C

I

I

N

N

T
x
L

E

T

K

H

L

M

E

D

Q

Q

L

I

G

T

A

E

V

L

E

N

L

T

T

E

E

D

L

F

P

-

G

-

V

-

A

-

H

-

K

-

V

-

P

-

T

S

I

V

F

V

S

V

G

E

A

P

G

G

V

V

V

T

T

R

R

K

R

A

V

L

T

N

E

T

A

H

A

L

E

R

A

D

A

S

G

G

Y

L

V

W

F

F

A

P

V

V

D

D

P
|
P

T
x
G

S
x
A

L

-

D

D

A

A

S

S

C

-

I

L

G

C

G
|
G

N
x
M

V

A

A
|
A

M
x
T

N

G

A
|
A

G
x
S

G

G

K

T

K

N

A

A

V

V

L

R

W

Y

G

G

T

T

A

M

L

R

D

D

N

N

L

V

A

I

W

N

W

L

R

E

M

V

V

V

D

L

P

P

D

D

G

G

N

R

W

L

L

L

E

-

V

-

T

-

R

-

H

-

E

-

H

H

N

T

Q

A

G

G

K

R

I

-

H

-

D

-

I

-

A

-

V

-

A

-

R

-

F

-

E

-

L

-

K

-

W

-

F

-

D

-

G

-

A

-

Y

-

A

-

P

-

G

-

E

-

K

-

L

-

R

-

T

-

E

-

M

-

L

-

E

-

I

-

E

-

G

G

R

R

R

H

F

Y

R

R

K

K

E

S

G

A

L

A

G

G

K

Y

D

N

V

L

T

T

D

G

K

L

F

F

L

-

A

-

G

-

L

-

P

-

G

-

V

V

Q

G

K

S

E
|
E

G
|
G

C

T

D

L

G

G

L

I

I
|
I

T

T

S

S

A

T

R

T

W

L

V

R

L

L

H

H

K

P

M

A

P

P

A

E

H

A

T

T

R

V

T

A

V

A

C

T

L

C

E

A

F

-

F

F

G

P

Q

S

A

V

R

Q

E

A

A

A

I

V

P

D

S

S

I

T

V

V

E

Q

I

I

K

-

D

-

Y

-

L

-

F

-

E

-

T

-

S

-

K

L

Q

Q

G

A

A

V

I

P

L

V

A

A

G

R

L

I

E

E

H

F

L

L

D

D

E

D

R

V

Y

M

L

M

R

D

A

A

V

C

G

N

Y

R

A

H

T

S

K

K

S

L

K

N

R

C

N

P

A

V

F

A

P

P

K

T

M

L

V

F

L

L

I

-

G

-

D

E

I

F

V

H

G

G

D

S

D

Q

A

Q

D

T

A

L

V

A

A

E

Q

Q

A

L

T

Q

-

R

S

T

E

E

V

A

I

I

R

T

M

Q

A

D

N

N

G

G

K

G

S

S

G

-

E

-

G

-

F

H

V

F

A

S

V

W

S

A

A

A

E

E

A

K

R

R

K

N

R

E

F

L

W

W

L

A

D

A

R
|
R

S

H

R

N

T

A

-
x
W

-
x
Y

A

A

I

L

A

A

K

L

H

S

T

P

N

G

A

S

F

K

K

A

I

Y

N

S

E

T

D

D

V

V

V

C

I

V

P

P

L

I

N

S

R

R

M

L

G

P

E

E

binding (2R)-2-hydroxyhexanoic acid: R319 (= R543), W323 (vs. gap)
binding flavin-adenine dinucleotide: P68 (= P223), G70 (= G225), T71 (≠ G226), G72 (= G227), T73 (= T228), G74 (= G229), G78 (= G233), V79 (≠ A234), L90 (≠ T246), P132 (= P296), G133 (≠ T297), A134 (≠ S298), G140 (= G306), M141 (≠ N307), A143 (= A309), T144 (≠ M310), A146 (= A312), S147 (≠ G313), E200 (= E411), G201 (= G412), I206 (= I417), Y324 (vs. gap)

Sites not aligning to the query:

8jdnA Crystal structure of h405a mldhd in complex with d-2-hydroxyvaleric acid (see paper)
25% identity, 29% coverage: 180:571/1339 of query aligns to 25:349/456 of 8jdnA

query
sites
8jdnA

R

R

V

E

S

Q

H

H

V

G

T

H

D

D

A

E

T

S

D

M

W

H

R

R

V

C

E

Q

Y

P

P

P

F

D

V

A

V

V

L

V

T

W

P

P

D

Q

T

N

E

V

A

D

E

Q

I

V

A

S

A

R

L

V

I

A

K

S

A

L

C

C

F

Y

E

N

L

Q

G

G

L

V

T

P

V

I

I

I

P
|
P

R

F

G
|
G

G
x
T

G
|
G

T
|
T

G
|
G

Y

V

T

E

G

G

G
|
G

A
x
V

V

C

P

A

L

V

T

Q

P

-

F

G

S

G

A

V

V

C

I

I

N

N

T
x
L

E

T

K

H

L

M

E

D

Q

Q

L

I

G

T

A

E

V

L

E

N

L

T

T

E

E

D

L

F

P

-

G

-

V

-

A

-

H

-

K

-

V

-

P

-

T

S

I

V

F

V

S

V

G

E

A

P

G

G

V

V

V

T

T

R

R

K

R

A

V

L

T

N

E

T

A

H

A

L

E

R

A

D

A

S

G

G

Y

L

V

W

F

F

A

P

V

V

D

D

P
|
P

T
x
G

S
x
A

L

-

D

D

A

A

S

S

C

-

I

L

G

C

G
|
G

N
x
M

V

A

A
|
A

M
x
T

N

G

A
|
A

G
x
S

G

G

K

T

K

N

A

A

V

V

L

R

W

Y

G

G

T

T

A

M

L

R

D

D

N

N

L

V

A

I

W

N

W

L

R

E

M

V

V

V

D

L

P

P

D

D

G

G

N

R

W

L

L

L

E

-

V

-

T

-

R

-

H

-

E

-

H

H

N

T

Q

A

G

G

K

R

I

-

H

-

D

-

I

-

A

-

V

-

A

-

R

-

F

-

E

-

L

-

K

-

W

-

F

-

D

-

G

-

A

-

Y

-

A

-

P

-

G

-

E

-

K

-

L

-

R

-

T

-

E

-

M

-

L

-

E

-

I

-

E

-

G

G

R

R

R

H

F

Y

R

R

K

K

E

S

G

A

L

A

G

G

K

Y

D

N

V

L

T

T

D

G

K

L

F

F

L

-

A

-

G

-

L

-

P

-

G

-

V

V

Q

G

K

S

E
|
E

G
|
G

C

T

D

L

G

G

L

I

I
|
I

T

T

S

S

A

T

R

T

W

L

V

R

L

L

H

H

K

P

M

A

P

P

A

E

H

A

T

T

R

V

T

A

V

A

C

T

L

C

E

A

F

-

F

F

G

P

Q

S

A

V

R

Q

E

A

A

A

I

V

P

D

S

S

I

T

V

V

E

Q

I

I

K

-

D

-

Y

-

L

-

F

-

E

-

T

-

S

-

K

L

Q

Q

G

A

A

V

I

P

L

V

A

A

G

R

L

I

E

E

H

F

L

L

D

D

E

D

R

V

Y

M

L

M

R

D

A

A

V

C

G

N

Y

R

A

H

T

S

K

K

S

L

K

N

R

C

N

P

A

V

F

A

P

P

K

T

M

L

V

F

L

L

I

-

G

-

D

E

I

F

V

H

G

G

D

S

D

Q

A

Q

D

T

A

L

V

A

A

E

Q

Q

A

L

T

Q

-

R

S

T

E

E

V

A

I

I

R

T

M

Q

A

D

N

N

G

G

K

G

S

S

G

-

E

-

G

-

F

H

V

F

A

S

V

W

S

A

A

A

E

E

A

K

R

R

K

N

R

E

F

L

W

W

L

A

D

A

R
|
R

S

H

R

N

T

A

-
x
W

-

Y

A

A

I

L

A

A

K

L

H

S

T

P

N

G

A

S

F

K

K

A

I

Y

N

S

E

T

D

D

V

V

V

C

I

V

P

P

L

I

N

S

R

R

M

L

G

P

E

E

binding flavin-adenine dinucleotide: P68 (= P223), G70 (= G225), T71 (≠ G226), G72 (= G227), T73 (= T228), G74 (= G229), G78 (= G233), V79 (≠ A234), L90 (≠ T246), P132 (= P296), G133 (≠ T297), A134 (≠ S298), G140 (= G306), M141 (≠ N307), A143 (= A309), T144 (≠ M310), A146 (= A312), S147 (≠ G313), E200 (= E411), G201 (= G412), I206 (= I417)
binding (2R)-2-oxidanylpentanoic acid: R319 (= R543), W323 (vs. gap)

Sites not aligning to the query:

8jdgA Crystal structure of h405a mldhd in complex with d-2-hydroxybutanoic acid (see paper)
25% identity, 29% coverage: 180:571/1339 of query aligns to 25:349/456 of 8jdgA

query
sites
8jdgA

R

R

V

E

S

Q

H

H

V

G

T

H

D

D

A

E

T

S

D

M

W

H

R

R

V

C

E

Q

Y

P

P

P

F

D

V

A

V

V

L

V

T

W

P

P

D

Q

T

N

E

V

A

D

E

Q

I

V

A

S

A

R

L

V

I

A

K

S

A

L

C

C

F

Y

E

N

L

Q

G

G

L

V

T

P

V

I

I

I

P
|
P

R

F

G
|
G

G
x
T

G
|
G

T
|
T

G
|
G

Y

V

T

E

G

G

G
|
G

A
x
V

V

C

P

A

L

V

T

Q

P

-

F

G

S

G

A

V

V

C

I

I

N

N

T
x
L

E

T

K

H

L

M

E

D

Q

Q

L

I

G

T

A

E

V

L

E

N

L

T

T

E

E

D

L

F

P

-

G

-

V

-

A

-

H

-

K

-

V

-

P

-

T

S

I

V

F

V

S

V

G

E

A

P

G

G

V

V

V

T

T

R

R

K

R

A

V

L

T

N

E

T

A

H

A

L

E

R

A

D

A

S

G

G

Y

L

V

W

F

F

A

P

V

V

D

D

P
|
P

T
x
G

S
x
A

L

-

D

D

A

A

S

S

C

-

I

L

G

C

G
|
G

N
x
M

V

A

A
|
A

M
x
T

N

G

A
|
A

G
x
S

G

G

K

T

K

N

A

A

V

V

L

R

W

Y

G

G

T

T

A

M

L

R

D

D

N

N

L

V

A

I

W

N

W

L

R

E

M

V

V

V

D

L

P

P

D

D

G

G

N

R

W

L

L

L

E

-

V

-

T

-

R

-

H

-

E

-

H

H

N

T

Q

A

G

G

K

R

I

-

H

-

D

-

I

-

A

-

V

-

A

-

R

-

F

-

E

-

L

-

K

-

W

-

F

-

D

-

G

-

A

-

Y

-

A

-

P

-

G

-

E

-

K

-

L

-

R

-

T

-

E

-

M

-

L

-

E

-

I

-

E

-

G

G

R

R

R

H

F

Y

R

R

K

K

E

S

G

A

L

A

G

G

K

Y

D

N

V

L

T

T

D

G

K

L

F

F

L

-

A

-

G

-

L

-

P

-

G

-

V

V

Q

G

K

S

E
|
E

G
|
G

C

T

D

L

G

G

L

I

I
|
I

T

T

S

S

A

T

R

T

W

L

V

R

L

L

H

H

K

P

M

A

P

P

A

E

H

A

T

T

R

V

T

A

V

A

C

T

L

C

E

A

F

-

F

F

G

P

Q

S

A

V

R

Q

E

A

A

A

I

V

P

D

S

S

I

T

V

V

E

Q

I

I

K

-

D

-

Y

-

L

-

F

-

E

-

T

-

S

-

K

L

Q

Q

G

A

A

V

I

P

L

V

A

A

G

R

L

I

E

E

H

F

L

L

D

D

E

D

R

V

Y

M

L

M

R

D

A

A

V

C

G

N

Y

R

A

H

T

S

K

K

S

L

K

N

R

C

N

P

A

V

F

A

P

P

K

T

M

L

V

F

L

L

I

-

G

-

D

E

I

F

V

H

G

G

D

S

D

Q

A

Q

D

T

A

L

V

A

A

E

Q

Q

A

L

T

Q

-

R

S

T

E

E

V

A

I

I

R

T

M

Q

A

D

N

N

G

G

K

G

S

S

G

-

E

-

G

-

F

H

V

F

A

S

V

W

S

A

A

A

E

E

A

K

R

R

K

N

R

E

F

L

W

W

L

A

D

A

R
|
R

S

H

R

N

T

A

-

W

-

Y

A

A

I

L

A

A

K

L

H

S

T

P

N

G

A

S

F

K

K

A

I

Y

N

S

E

T

D

D

V

V

V

C

I

V

P

P

L

I

N

S

R

R

M

L

G

P

E

E

binding flavin-adenine dinucleotide: P68 (= P223), G70 (= G225), T71 (≠ G226), G72 (= G227), T73 (= T228), G74 (= G229), G78 (= G233), V79 (≠ A234), L90 (≠ T246), P132 (= P296), G133 (≠ T297), A134 (≠ S298), G140 (= G306), M141 (≠ N307), A143 (= A309), T144 (≠ M310), A146 (= A312), S147 (≠ G313), E200 (= E411), G201 (= G412), I206 (= I417)
binding (2R)-2-oxidanylbutanoic acid: R319 (= R543)

Sites not aligning to the query:

8jdbA Crystal structure of h405a mldhd in complex with d-2-hydroxyoctanoic acid (see paper)
25% identity, 29% coverage: 180:571/1339 of query aligns to 25:349/456 of 8jdbA

query
sites
8jdbA

R

R

V

E

S

Q

H

H

V

G

T

H

D

D

A

E

T

S

D

M

W

H

R

R

V

C

E

Q

Y

P

P

P

F

D

V

A

V

V

L

V

T

W

P

P

D

Q

T

N

E

V

A

D

E

Q

I

V

A

S

A

R

L

V

I

A

K

S

A

L

C

C

F

Y

E

N

L

Q

G

G

L

V

T

P

V

I

I

I

P
|
P

R

F

G
|
G

G
x
T

G
|
G

T
|
T

G
|
G

Y
x
V

T

E

G

G

G
|
G

A
x
V

V

C

P

A

L

V

T

Q

P

-

F

G

S

G

A

V

V

C

I

I

N

N

T
x
L

E

T

K

H

L

M

E

D

Q

Q

L

I

G

T

A

E

V

L

E

N

L

T

T

E

E

D

L

F

P

-

G

-

V

-

A

-

H

-

K

-

V

-

P

-

T

S

I

V

F

V

S

V

G

E

A

P

G

G

V

V

V

T

T

R

R

K

R

A

V

L

T

N

E

T

A

H

A

L

E

R

A

D

A

S

G

G

Y

L

V

W

F

F

A

P

V

V

D

D

P
|
P

T
x
G

S
x
A

L

-

D

D

A

A

S

S

C

-

I

L

G

C

G
|
G

N
x
M

V

A

A
|
A

M
x
T

N

G

A
|
A

G
x
S

G

G

K

T

K

N

A

A

V

V

L

R

W

Y

G

G

T

T

A

M

L

R

D

D

N

N

L

V

A

I

W

N

W

L

R

E

M

V

V

V

D

L

P

P

D

D

G

G

N

R

W

L

L

L

E

-

V

-

T

-

R

-

H

-

E

-

H

H

N

T

Q

A

G

G

K

R

I

-

H

-

D

-

I

-

A

-

V

-

A

-

R

-

F

-

E

-

L

-

K

-

W

-

F

-

D

-

G

-

A

-

Y

-

A

-

P

-

G

-

E

-

K

-

L

-

R

-

T

-

E

-

M

-

L

-

E

-

I

-

E

-

G

G

R

R

R

H

F

Y

R

R

K

K

E

S

G

A

L

A

G

G

K

Y

D

N

V

L

T

T

D

G

K

L

F

F

L

-

A

-

G

-

L

-

P

-

G

-

V

V

Q

G

K

S

E
|
E

G
|
G

C

T

D

L

G

G

L

I

I
|
I

T

T

S

S

A

T

R

T

W

L

V

R

L

L

H

H

K

P

M

A

P

P

A

E

H

A

T

T

R

V

T

A

V

A

C

T

L

C

E

A

F

-

F

F

G

P

Q

S

A

V

R

Q

E

A

A

A

I

V

P

D

S

S

I

T

V

V

E

Q

I

I

K

-

D

-

Y

-

L

-

F

-

E

-

T

-

S

-

K

L

Q

Q

G

A

A

V

I

P

L

V

A

A

G

R

L

I

E

E

H

F

L

L

D

D

E

D

R

V

Y

M

L

M

R

D

A

A

V

C

G

N

Y

R

A

H

T

S

K

K

S

L

K

N

R

C

N

P

A

V

F

A

P

P

K

T

M

L

V

F

L

L

I

-

G

-

D

E

I

F

V

H

G

G

D

S

D

Q

A

Q

D

T

A

L

V

A

A

E

Q

Q

A

L

T

Q

-

R

S

T

E

E

V

A

I

I

R

T

M

Q

A

D

N

N

G

G

K

G

S

S

G

-

E

-

G

-

F

H

V

F

A

S

V

W

S

A

A

A

E

E

A

K

R

R

K

N

R

E

F

L

W

W

L

A

D

A

R
|
R

S

H

R

N

T

A

-
x
W

-
x
Y

A

A

I

L

A

A

K

L

H

S

T

P

N

G

A

S

F

K

K

A

I

Y

N

S

E

T

D

D

V

V

V

C

I

V

P

P

L

I

N

S

R

R

M

L

G

P

E

E

binding flavin-adenine dinucleotide: P68 (= P223), G70 (= G225), T71 (≠ G226), G72 (= G227), T73 (= T228), G74 (= G229), G78 (= G233), V79 (≠ A234), L90 (≠ T246), P132 (= P296), G133 (≠ T297), A134 (≠ S298), G140 (= G306), M141 (≠ N307), A143 (= A309), T144 (≠ M310), A146 (= A312), S147 (≠ G313), E200 (= E411), G201 (= G412), I206 (= I417), Y324 (vs. gap)
binding (2R)-2-oxidanyloctanoic acid: V75 (≠ Y230), R319 (= R543), W323 (vs. gap)

Sites not aligning to the query:

8jdtA Crystal structure of mldhd in complex with 2-ketobutanoic acid (see paper)
25% identity, 29% coverage: 180:571/1339 of query aligns to 25:348/455 of 8jdtA

query
sites
8jdtA

R

R

V

E

S

Q

H

H

V

G

T

H

D

D

A

E

T

S

D

M

W

H

R

R

V

C

E

Q

Y

P

P

P

F

D

V

A

V

V

L

V

T

W

P

P

D

Q

T

N

E

V

A

D

E

Q

I

V

A

S

A

R

L

V

I

A

K

S

A

L

C

C

F

Y

E

N

L

Q

G

G

L

V

T

P

V

I

I

I

P
|
P

R

F

G
|
G

G
x
T

G
|
G

T
|
T

G
|
G

Y

V

T

E

G

G

G
|
G

A
x
V

V

C

P

A

L

V

T

Q

P

-

F

G

S

G

A

V

V

C

I

I

N

N

T
x
L

E

T

K

H

L

M

E

D

Q

Q

L

I

G

T

A

E

V

L

E

N

L

T

T

E

E

D

L

F

P

-

G

-

V

-

A

-

H

-

K

-

V

-

P

-

T

S

I

V

F

V

S

V

G

E

A

P

G

G

V

V

V

T

T

R

R

K

R

A

V

L

T

N

E

T

A

H

A

L

E

R

A

D

A

S

G

G

Y

L

V

W

F

F

A

P

V

V

D

D

P
|
P

T
x
G

S
x
A

L

-

D

D

A

A

S

S

C

-

I

L

G

C

G
|
G

N
x
M

V

A

A
|
A

M
x
T

N

G

A
|
A

G
x
S

G

G

K

T

K

N

A

A

V

V

L

R

W

Y

G

G

T

T

A

M

L

R

D

D

N

N

L

V

A

I

W

N

W

L

R

E

M

V

V

V

D

L

P

P

D

D

G

G

N

R

W

L

L

L

E

-

V

-

T

-

R

-

H

-

E

-

H

H

N

T

Q

A

G

G

K

R

I

-

H

-

D

-

I

-

A

-

V

-

A

-

R

-

F

-

E

-

L

-

K

-

W

-

F

-

D

-

G

-

A

-

Y

-

A

-

P

-

G

-

E

-

K

-

L

-

R

-

T

-

E

-

M

-

L

-

E

-

I

-

E

-

G

G

R

R

R

H

F

Y

R

R

K

K

E

S

G

A

L

A

G

G

K

Y

D

N

V

L

T

T

D

G

K

L

F

F

L

-

A

-

G

-

L

-

P

-

G

-

V

V

Q

G

K

S

E
|
E

G
|
G

C

T

D

L

G

G

L

I

I
|
I

T

T

S

S

A

T

R

T

W

L

V

R

L

L

H

H

K

P

M

A

P

P

A

E

H

A

T

T

R

V

T

A

V

A

C

T

L

C

E

A

F

-

F

F

G

P

Q

S

A

V

R

Q

E

A

A

A

I

V

P

D

S

S

I

T

V

V

E

Q

I

I

K

-

D

-

Y

-

L

-

F

-

E

-

T

-

S

-

K

L

Q

Q

G

A

A

V

I

P

L

V

A

A

G

R

L

I

E

E

H

F

L

L

D

D

E

D

R

V

Y

M

L

M

R

D

A

A

V

C

G

N

Y

R

A

H

T

S

K

K

S

L

K

N

R

C

N

P

A

V

F

A

P

P

K

T

M

L

V

F

L

L

I

-

G

-

D

E

I

F

V

H

G

G

D

S

D

Q

A

Q

D

T

A

L

V

A

A

E

Q

Q

A

L

T

Q

-

R

S

T

E

E

V

A

I

I

R

T

M

Q

A

D

N

N

G

G

K

G

S

S

G

H

E

F

G

S

F

W

V

-

A

-

V

-

S

-

A

A

E

E

A

K

R

R

K

N

R

E

F

L

W

W

L

A

D

A

R
|
R

S

H

R

N

T

A

-
x
W

-

Y

A

A

I

L

A

A

K

L

H

S

T

P

N

G

A

S

F

K

K

A

I

Y

N

S

E

T

D

D

V

V

V

C

I

V

P

P

L

I

N

S

R

R

M

L

G

P

E

E

binding 2-ketobutyric acid: R318 (= R543)
binding flavin-adenine dinucleotide: P68 (= P223), G70 (= G225), T71 (≠ G226), G72 (= G227), T73 (= T228), G74 (= G229), G78 (= G233), V79 (≠ A234), L90 (≠ T246), P132 (= P296), G133 (≠ T297), A134 (≠ S298), G140 (= G306), M141 (≠ N307), A143 (= A309), T144 (≠ M310), A146 (= A312), S147 (≠ G313), E200 (= E411), G201 (= G412), I206 (= I417), W322 (vs. gap)

Sites not aligning to the query:

8jduA Crystal structure of mldhd in complex with 2-ketovaleric acid (see paper)
25% identity, 29% coverage: 180:571/1339 of query aligns to 25:348/455 of 8jduA

query
sites
8jduA

R

R

V

E

S

Q

H

H

V

G

T

H

D

D

A

E

T

S

D

M

W

H

R

R

V

C

E

Q

Y

P

P

P

F

D

V

A

V

V

L

V

T

W

P

P

D

Q

T

N

E

V

A

D

E

Q

I

V

A

S

A

R

L

V

I

A

K

S

A

L

C

C

F

Y

E

N

L

Q

G

G

L

V

T

P

V

I

I

I

P
|
P

R

F

G
|
G

G
x
T

G
|
G

T
|
T

G
|
G

Y

V

T

E

G

G

G
|
G

A
x
V

V

C

P

A

L

V

T

Q

P

-

F

G

S

G

A

V

V

C

I

I

N

N

T
x
L

E

T

K

H

L

M

E

D

Q

Q

L

I

G

T

A

E

V

L

E

N

L

T

T

E

E

D

L

F

P

-

G

-

V

-

A

-

H

-

K

-

V

-

P

-

T

S

I

V

F

V

S

V

G

E

A

P

G

G

V

V

V

T

T

R

R

K

R

A

V

L

T

N

E

T

A

H

A

L

E

R

A

D

A

S

G

G

Y

L

V

W

F

F

A

P

V

V

D

D

P
|
P

T
x
G

S
x
A

L

-

D

D

A

A

S

S

C

-

I

L

G

C

G
|
G

N
x
M

V

A

A
|
A

M
x
T

N

G

A
|
A

G
x
S

G

G

K

T

K

N

A

A

V

V

L

R

W

Y

G

G

T

T

A

M

L

R

D

D

N

N

L

V

A

I

W

N

W

L

R

E

M

V

V

V

D

L

P

P

D

D

G

G

N

R

W

L

L

L

E

-

V

-

T

-

R

-

H

-

E

-

H

H

N

T

Q

A

G

G

K

R

I

-

H

-

D

-

I

-

A

-

V

-

A

-

R

-

F

-

E

-

L

-

K

-

W

-

F

-

D

-

G

-

A

-

Y

-

A

-

P

-

G

-

E

-

K

-

L

-

R

-

T

-

E

-

M

-

L

-

E

-

I

-

E

-

G

G

R

R

R

H

F

Y

R

R

K

K

E

S

G

A

L

A

G

G

K

Y

D

N

V

L

T

T

D

G

K

L

F

F

L

-

A

-

G

-

L

-

P

-

G

-

V

V

Q

G

K

S

E
|
E

G
|
G

C

T

D

L

G

G

L

I

I
|
I

T

T

S

S

A

T

R

T

W

L

V

R

L

L

H

H

K

P

M

A

P

P

A

E

H

A

T

T

R

V

T

A

V

A

C

T

L

C

E

A

F

-

F

F

G

P

Q

S

A

V

R

Q

E

A

A

A

I

V

P

D

S

S

I

T

V

V

E

Q

I

I

K

-

D

-

Y

-

L

-

F

-

E

-

T

-

S

-

K

L

Q

Q

G

A

A

V

I

P

L

V

A

A

G

R

L

I

E

E

H

F

L

L

D

D

E

D

R

V

Y

M

L

M

R

D

A

A

V

C

G

N

Y

R

A

H

T

S

K

K

S

L

K

N

R

C

N

P

A

V

F

A

P

P

K

T

M

L

V

F

L

L

I

-

G

-

D

E

I

F

V

H

G

G

D

S

D

Q

A

Q

D

T

A

L

V

A

A

E

Q

Q

A

L

T

Q

S

R

E

T

V

E

I

A

R

I

M

T

A

Q

N

N

G

G

K

G

S

S

G

-

E

-

G

-

F

H

V

F

A

S

V

W

S

A

A

A

E

E

A

K

R

R

K

N

R

E

F

L

W

W

L

A

D

A

R
|
R

S

H

R

N

T

A

-
x
W

-

Y

A

A

I

L

A

A

K

L

H

S

T

P

N

G

A

S

F

K

K

A

I

Y

N

S

E

T

D

D

V

V

V

C

I

V

P

P

L

I

N

S

R

R

M

L

G

P

E

E

binding 2-oxopentanoic acid: R318 (= R543), W322 (vs. gap)
binding flavin-adenine dinucleotide: P68 (= P223), G70 (= G225), T71 (≠ G226), G72 (= G227), T73 (= T228), G74 (= G229), G78 (= G233), V79 (≠ A234), L90 (≠ T246), P132 (= P296), G133 (≠ T297), A134 (≠ S298), G140 (= G306), M141 (≠ N307), A143 (= A309), T144 (≠ M310), A146 (= A312), S147 (≠ G313), E200 (= E411), G201 (= G412), I206 (= I417), W322 (vs. gap)

Sites not aligning to the query:

8jdzA Crystal structure of mldhd in complex with 2-keto-3-methylvaleric acid (see paper)
25% identity, 29% coverage: 180:571/1339 of query aligns to 25:348/454 of 8jdzA

query
sites
8jdzA

R

R

V

E

S

Q

H

H

V

G

T

H

D

D

A
x
E

T

S

D

M

W

H

R

R

V

C

E

Q

Y

P

P

P

F

D

V

A

V

V

L

V

T

W

P

P

D

Q

T

N

E

V

A

D

E

Q

I

V

A

S

A

R

L

V

I

A

K

S

A

L

C

C

F

Y

E

N

L

Q

G

G

L

V

T

P

V

I

I

I

P
|
P

R

F

G
|
G

G
x
T

G
|
G

T
|
T

G
|
G

Y

V

T

E

G

G

G
|
G

A
x
V

V

C

P

A

L

V

T

Q

P

-

F

G

S

G

A

V

V

C

I

I

N

N

T
x
L

E

T

K

H

L

M

E

D

Q

Q

L

I

G

T

A

E

V

L

E

N

L

T

T

E

E

D

L

F

P

-

G

-

V

-

A

-

H

-

K

-

V

-

P

-

T

S

I

V

F

V

S

V

G

E

A

P

G

G

V

V

V

T

T

R

R

K

R

A

V

L

T

N

E

T

A

H

A

L

E

R

A

D

A

S

G

G

Y

L

V

W

F

F

A

P

V

V

D

D

P
|
P

T
x
G

S
x
A

L

-

D

D

A

A

S

S

C

-

I

L

G

C

G
|
G

N
x
M

V

A

A
|
A

M
x
T

N

G

A
|
A

G
x
S

G

G

K

T

K

N

A

A

V

V

L

R

W

Y

G

G

T

T

A

M

L

R

D

D

N

N

L

V

A

I

W

N

W

L

R

E

M

V

V

V

D

L

P

P

D

D

G

G

N

R

W

L

L

L

E

-

V

-

T

-

R

-

H

-

E

-

H

H

N

T

Q

A

G

G

K

R

I

-

H

-

D

-

I

-

A

-

V

-

A

-

R

-

F

-

E

-

L

-

K

-

W

-

F

-

D

-

G

-

A

-

Y

-

A

-

P

-

G

-

E

-

K

-

L

-

R

-

T

-

E

-

M

-

L

-

E

-

I

-

E

-

G

G

R

R

R

H

F

Y

R

R

K

K

E

S

G

A

L

A

G

G

K

Y

D

N

V

L

T

T

D

G

K

L

F

F

L

-

A

-

G

-

L

-

P

-

G

-

V

V

Q

G

K

S

E
|
E

G
|
G

C

T

D

L

G

G

L

I

I
|
I

T

T

S

S

A

T

R

T

W

L

V

R

L

L

H

H

K

P

M

A

P

P

A

E

H

A

T

T

R

V

T

A

V

A

C

T

L

C

E

A

F

-

F

F

G

P

Q

S

A

V

R

Q

E

A

A

A

I

V

P

D

S

S

I

T

V

V

E

Q

I

I

K

-

D

-

Y

-

L

-

F

-

E

-

T

-

S

-

K

L

Q

Q

G

A

A

V

I

P

L

V

A

A

G

R

L

I

E

E

H

F

L

L

D

D

E

D

R

V

Y

M

L

M

R

D

A

A

V

-

G

-

Y

-

A

C

T

N

K

R

S

H

K

S

R

L

N

N

A

C

F

P

P

V

K

A

M

P

V

T

L

L

I

F

G

L

D

E

I

F

V

H

G

G

D

S

D

Q

A

Q

D

T

A

L

V

A

A

E

Q

Q

A

L

T

Q

-

R

S

T

E

E

V

A

I

I

R

T

M

Q

A

D

N

N

G

G

K

G

S

S

G

-

E

-

G

-

F

H

V

F

A

S

V

W

S

A

A

A

E

E

A

K

R

R

K

N

R

E

F

L

W

W

L

A

D

A

R
|
R

S

H

R

N

T

A

-
x
W

-

Y

A

A

I

L

A

A

K

L

H

S

T

P

N

G

A

S

F

K

K

A

I

Y

N

S

E

T

D

D

V

V

V

C

I

V

P

P

L

I

N

S

R

R

M

L

G

P

E

E

binding (3S)-3-methyl-2-oxopentanoic acid: R318 (= R543), W322 (vs. gap)
binding flavin-adenine dinucleotide: E32 (≠ A187), P68 (= P223), G70 (= G225), T71 (≠ G226), G72 (= G227), T73 (= T228), G74 (= G229), G78 (= G233), V79 (≠ A234), L90 (≠ T246), P132 (= P296), G133 (≠ T297), A134 (≠ S298), G140 (= G306), M141 (≠ N307), A143 (= A309), T144 (≠ M310), A146 (= A312), S147 (≠ G313), E200 (= E411), G201 (= G412), I206 (= I417), W322 (vs. gap)

Sites not aligning to the query:

8jdyA Crystal structure of mldhd in complex with 2-ketoisocaproic acid (see paper)
25% identity, 29% coverage: 180:571/1339 of query aligns to 25:348/454 of 8jdyA

query
sites
8jdyA

R

R

V

E

S

Q

H

H

V

G

T

H

D

D

A

E

T

S

D

M

W

H

R

R

V

C

E

Q

Y

P

P

P

F

D

V

A

V

V

L

V

T

W

P

P

D

Q

T

N

E

V

A

D

E

Q

I

V

A

S

A

R

L

V

I

A

K

S

A

L

C

C

F

Y

E

N

L

Q

G

G

L

V

T

P

V

I

I

I

P
|
P

R

F

G
|
G

G
x
T

G
|
G

T
|
T

G
|
G

Y

V

T

E

G

G

G
|
G

A
x
V

V

C

P

A

L

V

T

Q

P

-

F

G

S

G

A

V

V

C

I

I

N

N

T
x
L

E

T

K

H

L

M

E

D

Q

Q

L

I

G

T

A

E

V

L

E

N

L

T

T

E

E

D

L

F

P

-

G

-

V

-

A

-

H

-

K

-

V

-

P

-

T

S

I

V

F

V

S

V

G

E

A

P

G

G

V

V

V

T

T

R

R

K

R

A

V

L

T

N

E

T

A

H

A

L

E

R

A

D

A

S

G

G

Y

L

V

W

F

F

A

P

V

V

D

D

P
|
P

T
x
G

S
x
A

L

-

D

D

A

A

S

S

C

-

I

L

G

C

G
|
G

N
x
M

V

A

A
|
A

M
x
T

N

G

A
|
A

G
x
S

G

G

K

T

K

N

A

A

V

V

L

R

W

Y

G

G

T

T

A

M

L

R

D

D

N

N

L

V

A

I

W

N

W

L

R

E

M

V

V

V

D

L

P

P

D

D

G

G

N

R

W

L

L

L

E

-

V

-

T

-

R

-

H

-

E

-

H

H

N

T

Q

A

G

G

K

R

I

-

H

-

D

-

I

-

A

-

V

-

A

-

R

-

F

-

E

-

L

-

K

-

W

-

F

-

D

-

G

-

A

-

Y

-

A

-

P

-

G

-

E

-

K

-

L

-

R

-

T

-

E

-

M

-

L

-

E

-

I

-

E

-

G

G

R

R

R

H

F

Y

R

R

K

K

E

S

G

A

L

A

G

G

K

Y

D

N

V

L

T

T

D

G

K

L

F

F

L

-

A

-

G

-

L

-

P

-

G

-

V

V

Q

G

K

S

E
|
E

G
|
G

C

T

D

L

G

G

L

I

I
|
I

T

T

S

S

A

T

R

T

W

L

V

R

L

L

H

H

K

P

M

A

P

P

A

E

H

A

T

T

R

V

T

A

V

A

C

T

L

C

E

A

F

-

F

F

G

P

Q

S

A

V

R

Q

E

A

A

A

I

V

P

D

S

S

I

T

V

V

E

Q

I

I

K

-

D

-

Y

-

L

-

F

-

E

-

T

-

S

-

K

L

Q

Q

G

A

A

V

I

P

L

V

A

A

G

R

L

I

E

E

H

F

L

L

D

D

E

D

R

V

Y

M

L

M

R

D

A

A

V

-

G

-

Y

-

A

C

T

N

K

R

S

H

K

S

R

L

N

N

A

C

F

P

P

V

K

A

M

P

V

T

L

L

I

F

G

L

D

E

I

F

V

H

G

G

D

S

D

Q

A

Q

D

T

A

L

V

A

A

E

Q

Q

A

L

T

Q

-

R

S

T

E

E

V

A

I

I

R

T

M

Q

A

D

N

N

G

G

K

G

S

S

G

-

E

-

G

-

F

H

V

F

A

S

V

W

S

A

A

A

E

E

A

K

R

R

K

N

R

E

F

L

W

W

L

A

D

A

R
|
R

S

H

R

N

T

A

-
x
W

-

Y

A

A

I

L

A

A

K

L

H

S

T

P

N

G

A

S

F

K

K

A

I

Y

N
x
S

E

T

D

D

V

V

V

C

I

V

P

P

L

I

N

S

R

R

M

L

G

P

E

E

binding 2-oxo-4-methylpentanoic acid: R318 (= R543), W322 (vs. gap), S336 (≠ N559)
binding flavin-adenine dinucleotide: P68 (= P223), G70 (= G225), T71 (≠ G226), G72 (= G227), T73 (= T228), G74 (= G229), G78 (= G233), V79 (≠ A234), L90 (≠ T246), P132 (= P296), G133 (≠ T297), A134 (≠ S298), G140 (= G306), M141 (≠ N307), A143 (= A309), T144 (≠ M310), A146 (= A312), S147 (≠ G313), E200 (= E411), G201 (= G412), I206 (= I417)

Sites not aligning to the query:

8jdxA Crystal structure of mldhd in complex with 2-ketoisovaleric acid (see paper)
25% identity, 29% coverage: 180:571/1339 of query aligns to 25:348/455 of 8jdxA

query
sites
8jdxA

R

R

V

E

S

Q

H

H

V

G

T

H

D

D

A
x
E

T

S

D

M

W

H

R

R

V

C

E

Q

Y

P

P

P

F

D

V

A

V

V

L

V

T

W

P

P

D

Q

T

N

E

V

A

D

E

Q

I

V

A

S

A

R

L

V

I

A

K

S

A

L

C

C

F

Y

E

N

L

Q

G

G

L

V

T

P

V

I

I

I

P
|
P

R

F

G
|
G

G
x
T

G
|
G

T
|
T

G
|
G

Y

V

T

E

G

G

G
|
G

A
x
V

V

C

P

A

L

V

T

Q

P

-

F

G

S

G

A

V

V

C

I

I

N

N

T
x
L

E

T

K

H

L

M

E

D

Q

Q

L

I

G

T

A

E

V

L

E

N

L

T

T

E

E

D

L

F

P

-

G

-

V

-

A

-

H

-

K

-

V

-

P

-

T

S

I

V

F

V

S

V

G

E

A

P

G

G

V

V

V

T

T

R

R

K

R

A

V

L

T

N

E

T

A

H

A

L

E

R

A

D

A

S

G

G

Y

L

V

W

F

F

A

P

V

V

D

D

P
|
P

T
x
G

S
x
A

L

-

D

D

A

A

S

S

C

-

I

L

G

C

G
|
G

N
x
M

V

A

A
|
A

M
x
T

N

G

A
|
A

G
x
S

G

G

K

T

K

N

A

A

V

V

L

R

W

Y

G

G

T

T

A

M

L

R

D

D

N

N

L

V

A

I

W

N

W

L

R

E

M

V

V

V

D

L

P

P

D

D

G

G

N

R

W

L

L

L

E

-

V

-

T

-

R

-

H

-

E

-

H

H

N

T

Q

A

G

G

K

R

I

-

H

-

D

-

I

-

A

-

V

-

A

-

R

-

F

-

E

-

L

-

K

-

W

-

F

-

D

-

G

-

A

-

Y

-

A

-

P

-

G

-

E

-

K

-

L

-

R

-

T

-

E

-

M

-

L

-

E

-

I

-

E

-

G

G

R

R

R

H

F

Y

R

R

K

K

E

S

G

A

L

A

G

G

K

Y

D

N

V

L

T

T

D

G

K

L

F

F

L

-

A

-

G

-

L

-

P

-

G

-

V

V

Q

G

K

S

E
|
E

G
|
G

C

T

D

L

G

G

L

I

I
|
I

T

T

S

S

A

T

R

T

W

L

V

R

L

L

H

H

K

P

M

A

P

P

A

E

H

A

T

T

R

V

T

A

V

A

C

T

L

C

E

A

F

-

F

F

G

P

Q

S

A

V

R

Q

E

A

A

A

I

V

P

D

S

S

I

T

V

V

E

Q

I

I

K

-

D

-

Y

-

L

-

F

-

E

-

T

-

S

-

K

L

Q

Q

G

A

A

V

I

P

L

V

A

A

G

R

L

I

E

E

H

F

L

L

D

D

E

D

R

V

Y

M

L

M

R

D

A

A

V

-

G

-

Y

-

A

C

T

N

K

R

S

H

K

S

R

L

N

N

A

C

F

P

P

V

K

A

M

P

V

T

L

L

I

F

G

L

D

E

I

F

V

H

G

G

D

S

D

Q

A

Q

D

T

A

L

V

A

A

E

Q

Q

A

L

T

Q

-

R

S

T

E

E

V

A

I

I

R

T

M

Q

A

D

N

N

G

G

K

G

S

S

G

-

E

-

G

-

F

H

V

F

A

S

V

W

S

A

A

A

E

E

A

K

R

R

K

N

R

E

F

L

W

W

L

A

D

A

R
|
R

S

H

R

N

T

A

-
x
W

-

Y

A

A

I

L

A

A

K

L

H

S

T

P

N

G

A

S

F

K

K

A

I

Y

N

S

E

T

D

D

V

V

V

C

I

V

P

P

L

I

N

S

R

R

M

L

G

P

E

E

binding flavin-adenine dinucleotide: E32 (≠ A187), P68 (= P223), G70 (= G225), T71 (≠ G226), G72 (= G227), T73 (= T228), G74 (= G229), G78 (= G233), V79 (≠ A234), L90 (≠ T246), P132 (= P296), G133 (≠ T297), A134 (≠ S298), G140 (= G306), M141 (≠ N307), A143 (= A309), T144 (≠ M310), A146 (= A312), S147 (≠ G313), E200 (= E411), G201 (= G412), I206 (= I417), W322 (vs. gap)
binding 3-methyl-2-oxobutanoic acid: R318 (= R543)

Sites not aligning to the query:

8jdpA Crystal structure of h405a mldhd in complex with d-2-hydroxyisovaleric acid (see paper)
25% identity, 29% coverage: 180:571/1339 of query aligns to 25:348/455 of 8jdpA

query
sites
8jdpA

R

R

V

E

S

Q

H

H

V

G

T

H

D

D

A

E

T

S

D

M

W

H

R

R

V

C

E

Q

Y

P

P

P

F

D

V

A

V

V

L

V

T

W

P

P

D

Q

T

N

E

V

A

D

E

Q

I

V

A

S

A

R

L

V

I

A

K

S

A

L

C

C

F

Y

E

N

L

Q

G

G

L

V

T

P

V

I

I

I

P
|
P

R

F

G
|
G

G
x
T

G
|
G

T
|
T

G
|
G

Y

V

T

E

G

G

G
|
G

A
x
V

V

C

P

A

L

V

T

Q

P

-

F

G

S

G

A

V

V

C

I

I

N

N

T
x
L

E

T

K

H

L

M

E

D

Q

Q

L

I

G

T

A

E

V

L

E

N

L

T

T

E

E

D

L

F

P

-

G

-

V

-

A

-

H

-

K

-

V

-

P

-

T

S

I

V

F

V

S

V

G

E

A

P

G

G

V

V

V

T

T

R

R

K

R

A

V

L

T

N

E

T

A

H

A

L

E

R

A

D

A

S

G

G

Y

L

V

W

F

F

A

P

V

V

D

D

P
|
P

T
x
G

S
x
A

L

-

D

D

A

A

S

S

C

-

I

L

G

C

G
|
G

N
x
M

V

A

A
|
A

M
x
T

N

G

A
|
A

G
x
S

G

G

K

T

K

N

A

A

V

V

L

R

W

Y

G

G

T

T

A

M

L

R

D

D

N

N

L

V

A

I

W

N

W

L

R

E

M

V

V

V

D

L

P

P

D

D

G

G

N

R

W

L

L

L

E

-

V

-

T

-

R

-

H

-

E

-

H

H

N

T

Q

A

G

G

K

R

I

-

H

-

D

-

I

-

A

-

V

-

A

-

R

-

F

-

E

-

L

-

K

-

W

-

F

-

D

-

G

-

A

-

Y

-

A

-

P

-

G

-

E

-

K

-

L

-

R

-

T

-

E

-

M

-

L

-

E

-

I

-

E

-

G

G

R

R

R

H

F

Y

R

R

K

K

E

S

G

A

L

A

G

G

K

Y

D

N

V

L

T

T

D

G

K

L

F

F

L

-

A

-

G

-

L

-

P

-

G

-

V

V

Q

G

K

S

E
|
E

G
|
G

C

T

D

L

G

G

L

I

I
|
I

T

T

S

S

A

T

R

T

W

L

V

R

L

L

H

H

K

P

M

A

P

P

A

E

H

A

T

T

R

V

T

A

V

A

C

T

L

C

E

A

F

-

F

F

G

P

Q

S

A

V

R

Q

E

A

A

A

I

V

P

D

S

S

I

T

V

V

E

Q

I

I

K

-

D

-

Y

-

L

-

F

-

E

-

T

-

S

-

K

L

Q

Q

G

A

A

V

I

P

L

V

A

A

G

R

L

I

E

E

H

F

L

L

D

D

E

D

R

V

Y

M

L

M

R

D

A

A

V

C

G

N

Y

R

A

H

T

S

K

K

S

L

K

N

R

C

N

P

A

V

F

A

P

P

K

T

M

L

V

F

L

L

I

-

G

-

D

E

I

F

V

H

G

G

D

S

D

Q

A

Q

D

T

A

L

V

A

A

E

Q

Q

A

L

T

Q

-

R

S

T

E

E

V

A

I

I

R

T

M

Q

A

D

N

N

G

G

K

G

S

S

G

-

E

-

G

-

F

H

V

F

A

S

V

W

S

A

A

A

E

E

A

K

R

R

K

N

R

E

F

L

W

W

L

A

D

A

R
|
R

S

H

R

N

T

A

-

W

-

Y

A

A

I

L

A

A

K

L

H

-

T

S

N

P

A

S

F

K

K

A

I

Y

N

S

E

T

D

D

V

V

V

C

I

V

P

P

L

I

N

S

R

R

M

L

G

P

E

E

binding flavin-adenine dinucleotide: P68 (= P223), G70 (= G225), T71 (≠ G226), G72 (= G227), T73 (= T228), G74 (= G229), G78 (= G233), V79 (≠ A234), L90 (≠ T246), P132 (= P296), G133 (≠ T297), A134 (≠ S298), G140 (= G306), M141 (≠ N307), A143 (= A309), T144 (≠ M310), A146 (= A312), S147 (≠ G313), E200 (= E411), G201 (= G412), I206 (= I417)
binding deaminohydroxyvaline: R319 (= R543)

Sites not aligning to the query:

Query Sequence

>WP_011886004.1 NCBI__GCF_000016205.1:WP_011886004.1
MNAPQVFDPHGAAAAVAADPAPRLREIPYNYTSFSDREIVIRLLGEDAWSVLDELRAERR
TGRSARMLYEVLGDIWVVRRNPYLQDDLLDNPKRRALLIEALNHRLTEIGKRRRADLTEH
RDDAGRERAGRVEMLEAAAQRAVDEFADEFDKMADLRRRATKALGRCTQKDNIRFDGLSR
VSHVTDATDWRVEYPFVVLTPDTEAEIAALIKACFELGLTVIPRGGGTGYTGGAVPLTPF
SAVINTEKLEQLGAVELTELPGVAHKVPTIFSGAGVVTRRVTEAAEAAGYVFAVDPTSLD
ASCIGGNVAMNAGGKKAVLWGTALDNLAWWRMVDPDGNWLEVTRHEHNQGKIHDIAVARF
ELKWFDGAYAPGEKLLRTEMLEIEGRRFRKEGLGKDVTDKFLAGLPGVQKEGCDGLITSA
RWVLHKMPAHTRTVCLEFFGQAREAIPSIVEIKDYLFETSKQGGAILAGLEHLDERYLRA
VGYATKSKRNAFPKMVLIGDIVGDDADAVAQATSEVIRMANGKSGEGFVAVSAEARKRFW
LDRSRTAAIAKHTNAFKINEDVVIPLNRMGEYTDGIERINIELSLKNKLQLVDALEAFFR
GGNLPLGKTDDANEIPSAELLEDRVQQALELLKRVRARWEFVRDRLDQPLREAQHYLVQL
GYEALAEKFADRADEQPGASVFHVTQDRTIRISWKQEIRAELRAIFNGGAFKPILDEAQA
IHKRVLRGRVFVALHMHAGDGNVHTNIPVNSDNYEMLQDAHAAVARIMTLARSLDGVISG
EHGIGITKLEFLTDDEIAEFRAYKQRVDPNGRFNKGKLLDGADLRNAYTPSFGLMGYESL
IMQQSDIGAIADSVKDCLRCGKCKPVCATHVPRANLLYSPRNKILATSLLVEAFLYEEQT
RRGVSIKHWDEFNDVADHCTVCHKCATPCPVKIDFGDVTMNMRNLLRKMGKKKFNAGNAA
GMFFLNATNPQTINAARTVMMGVGYKVQRFANDMLKKVVTKQTQHPPATTGRPPVVEQVI
HFVNKKMPGNLPKKTARALLDIEDNKIVPIIRNPKSTTVDSEAVFYFPGCGSERLFSQVG
LATQAMLWEAGVQTVLPPGYLCCGYPQRGSGQYDKAEKIVTDNRVLFHRVANTLNYLDIK
TVVVSCGTCYDQLAGYEFDKIFPGCRIIDIHEFLLEKGMKLDGVTGTRYMYHDPCHTPIK
TMDPVKLVNELMGAEKDGYRIEKNDRCCGESGTLAVTRPDVSTQVRFRKEEEIRKGAAKL
RGIPVMADGAPAPAAASGPDVKILTSCPSCLQGLSRYNEDANLEADYIVVEIARQVLGEN
WMADYVARANNGGIERVLV

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