SitesBLAST

S109 (≠ E178) to W: in D2HGA1; uncertain significance; significant loss of catalytic activity; dbSNP:rs142050154
N127 (≠ I196) to K: in D2HGA1; uncertain significance; complete loss of catalytic activity; dbSNP:rs762857195
G131 (= G200) to V: in D2HGA1; uncertain significance; complete loss of catalytic activity
I147 (≠ V217) to S: in D2HGA1; uncertain significance; severe phenotype; almost complete loss of catalytic activity; dbSNP:rs121434361
M153 (≠ L223) 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 (≠ A250) to Y: in D2HGA1; uncertain significance; moderate reduction in catalytic activity; dbSNP:rs773735172
P189 (≠ A267) to L: in D2HGA1; uncertain significance; almost complete loss of catalytic activity; dbSNP:rs587783517
A205 (≠ S283) to V: in D2HGA1; uncertain significance; almost complete loss of catalytic activity; dbSNP:rs750889931
A231 (= A309) to V: in D2HGA1; uncertain significance; significant loss of catalytic activity
G233 (≠ A311) to S: in D2HGA1; uncertain significance; no effect on catalytic activity; dbSNP:rs374535734
D375 (≠ S502) to Y: in D2HGA1; uncertain significance; moderate reduction in catalytic activity; dbSNP:rs267606759
R386 (= R513) binding (R)-2-hydroxyglutarate; binding (R)-lactate; binding (R)-malate; mutation to A: Loss of catalytic activity.
T390 (≠ A517) binding (R)-2-hydroxyglutarate; binding (R)-malate; mutation to A: Significantly reduced catalytic activity.
V399 (≠ K527) to M: in D2HGA1; uncertain significance; moderate reduction in catalytic activity; dbSNP:rs746519212
K401 (≠ N529) 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

8jdsA Crystal structure of mldhd in complex with pyruvate (see paper)
24% identity, 35% coverage: 154:604/1286 of query aligns to 25:406/456 of 8jdsA

query
sites
8jdsA

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binding flavin-adenine dinucleotide: E32 (≠ A161), P68 (= P197), G70 (= G199), T71 (≠ G200), G72 (= G201), T73 (= T202), G74 (= G203), G78 (= G207), V79 (≠ A208), L90 (≠ T220), P132 (= P270), G133 (≠ T271), A134 (≠ S272), G140 (= G280), M141 (≠ N281), A143 (≠ S283), T144 (≠ M284), A146 (= A286), S147 (≠ G287), E200 (= E383), G201 (= G384), I206 (= I389), W323 (vs. gap)
binding manganese (ii) ion: H370 (≠ Y568), H377 (≠ E575)
binding pyruvic acid: R319 (= R513), H370 (≠ Y568), H377 (≠ E575)

Sites not aligning to the query:

8jdrA Crystal structure of h405a mldhd in complex with d-2-hydroxy-3-methyl- valeric acid (see paper)
24% identity, 35% coverage: 154:604/1286 of query aligns to 25:406/456 of 8jdrA

query
sites
8jdrA

R

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G

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A

binding flavin-adenine dinucleotide: P68 (= P197), G70 (= G199), T71 (≠ G200), G72 (= G201), T73 (= T202), G74 (= G203), G78 (= G207), V79 (≠ A208), L90 (≠ T220), P132 (= P270), G133 (≠ T271), A134 (≠ S272), G140 (= G280), M141 (≠ N281), A143 (≠ S283), T144 (≠ M284), A146 (= A286), S147 (≠ G287), E200 (= E383), G201 (= G384), I206 (= I389), Y324 (vs. gap), H370 (≠ Y568)
binding (2R,3S)-3-methyl-2-oxidanyl-pentanoic acid: R319 (= R513), W323 (vs. gap)

Sites not aligning to the query:

8jdqA Crystal structure of h405a mldhd in complex with d-2-hydroxyisocaproic acid (see paper)
24% identity, 35% coverage: 154:604/1286 of query aligns to 25:406/456 of 8jdqA

query
sites
8jdqA

R

R

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-

E

-

R

R

L

L

D

L

H

H

N

T

L

A

G

G

K

R

L

-

D

-

L

-

D

-

T

-

V

-

R

-

F

-

R

-

V

-

T

-

R

-

Y

-

A

-

R

-

D

-

G

-

Q

-

T

-

Q

-

E

-

G

-

E

-

P

-

E

-

I

-

L

-

S

-

F

-

S

-

G

G

T

R

S

H

F

Y

R

R

K

K

P

S

G

A

L

A

G

G

K

Y

D

N

V

L

T

T

D

G

K

L

F

F

L

V

G

G

G

-

L

-

P

-

G

-

V

-

Q

-

K

S

E
|
E

G
|
G

C

T

D

L

G

G

L

I

I
|
I

T

T

S

S

A

T

R

T

M

L

L

R

V

L

H

H

R

P

M

A

P

P

E

E

H

A

Q

T

R

V

T

A

V

A

C

T

L

C

E

A

F

F

Y

-

G

-

D

P

D

S

L

V

H

Q

E

A

A

A

V

V

P

D

A

S

I

T

T

V

E

Q

I

I

R

-

D

-

L

-

A

L

D

Q

E

A

Q

A

V

V

A

P

L

V

A

A

G

R

L

I

E

E

H

F

L

L

D

D

E

D

R

V

Y

M

I

M

Q

D

A

A

V

C

D

N

Y

R

S

H

P

S

K

K

A

L

N

N

R

C

S

P

E

V

I

A

P

P

K

T

M

L

I

F

L

L

L

E

A

F

D

H

L

G

A

S

S

Q

D

-

H

-

P

-

D

Q

A

T

V

L

G

A

E

E

A

Q

A

L

S

Q

R

R

I

T

V

E

R

A

L

I

A

-

N

T

Q

Q

R

D

N

N

G

G

E

G

G

S

F

H

I

F

A

S

V

W

S

A

E

A

E

E

A

K

Q

R

R

N

R

E

F

L

W

W

A

A

E

A

R
|
R

S

H

R

N

T

A

-
x
W

-

Y

A

A

I

L

A

A

S

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

E

S

R

R

L

L

A

P

E

E

Y

-

T

-

E

-

G

-

V

-

E

-

R

-

I

I

N

L

V

V

E

E

Q

T

S

K

M

E

R

E

N

I

K

K

L

A

A

S

M

K

L

L

S

T

-

G

E

A

L

I

L

V

D

G

Y
x
H

L

V

G

G

G

D

D

G

M

N

P

F

E

A

V

C

R

I

Q

L

V

L

K

V

D

D

F

P

E

D

D

D

S

A

E

E

G

Q

D

R

R

R

I

V

L

K

A

A

D

F

K

A

K

E

A

N

A

L

A

G

R

R

D

R

H

A

L

L

S

A

binding (2R)-2-hydroxy-4-methylpentanoic acid: R319 (= R513), W323 (vs. gap), H370 (≠ Y568)
binding flavin-adenine dinucleotide: P68 (= P197), G70 (= G199), T71 (≠ G200), G72 (= G201), T73 (= T202), G74 (= G203), G78 (= G207), V79 (≠ A208), L90 (≠ T220), P132 (= P270), G133 (≠ T271), A134 (≠ S272), G140 (= G280), M141 (≠ N281), A143 (≠ S283), T144 (≠ M284), A146 (= A286), S147 (≠ G287), E200 (= E383), G201 (= G384), I206 (= I389), H370 (≠ Y568)

Sites not aligning to the query:

8jdoA Crystal structure of h405a mldhd in complex with d-2-hydroxyhexanoic acid (see paper)
24% identity, 35% coverage: 154:604/1286 of query aligns to 25:406/456 of 8jdoA

query
sites
8jdoA

R

R

V

E

S

Q

H

H

A

G

T

H

D

D

A

E

T

S

D

M

W

H

R

R

V

C

E

Q

I

P

P

P

F

D

L

A

V

V

L

V

T

W

P

P

D

Q

T

N

E

V

E

D

E

Q

I

V

A

S

P

R

L

V

V

A

A

S

T

L

C

C

I

Y

E

N

E

Q

G

G

L

V

T

P

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

D

Q

G

G

D

-

S

G

A

V

V

C

I

I

N

N

T
x
L

E

T

K

H

L

M

D

D

A

Q

I

I

S

T

P

E

V

L

E

N

E

T

V

E

D

D

L

F

P

S

G

V

V

V

D

V

T

E

P

P

V

-

S

-

T

-

I

-

H

-

V

-

G

-

A

-

G

G

A

V

V

T

T

R

R

K

R

A

V

L

S

N

E

T

R

H

A

L

E

R

A

D

H

S

G

G

R

L

V

W

F

F

A

P

V

V

D

D

P
|
P

T
x
G

S
x
A

Q

-

D

D

A

A

S

S

T

-

I

L

G

C

G
|
G

N
x
M

I

A

S
x
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

T

M

L

R

D

D

N

N

I

V

V

I

S

N

Y

L

R

E

M

V

I

V

T

L

A

P

E

D

A

G

K

-

W

-

I

-

E

-

V

-

E

-

R

R

L

L

D

L

H

H

N

T

L

A

G

G

K

R

L

-

D

-

L

-

D

-

T

-

V

-

R

-

F

-

R

-

V

-

T

-

R

-

Y

-

A

-

R

-

D

-

G

-

Q

-

T

-

Q

-

E

-

G

-

E

-

P

-

E

-

I

-

L

-

S

-

F

-

S

-

G

G

T

R

S

H

F

Y

R

R

K

K

P

S

G

A

L

A

G

G

K

Y

D

N

V

L

T

T

D

G

K

L

F

F

L

V

G

G

G

-

L

-

P

-

G

-

V

-

Q

-

K

S

E
|
E

G
|
G

C

T

D

L

G

G

L

I

I
|
I

T

T

S

S

A

T

R

T

M

L

L

R

V

L

H

H

R

P

M

A

P

P

E

E

H

A

Q

T

R

V

T

A

V

A

C

T

L

C

E

A

F

F

Y

-

G

-

D

P

D

S

L

V

H

Q

E

A

A

A

V

V

P

D

A

S

I

T

T

V

E

Q

I

I

R

-

D

-

L

-

A

L

D

Q

E

A

Q

A

V

V

A

P

L

V

A

A

G

R

L

I

E

E

H

F

L

L

D

D

E

D

R

V

Y

M

I

M

Q

D

A

A

V

C

D

N

Y

R

S

H

P

S

K

K

A

L

N

N

R

C

S

P

E

V

I

A

P

P

K

T

M

L

I

F

L

L

L

E

A

F

D

H

L

G

A

S

S

Q

D

-

H

-

P

-

D

Q

A

T

V

L

G

A

E

E

A

Q

A

L

S

Q

R

R

I

T

V

E

R

A

L

I

A

-

N

T

Q

Q

R

D

N

N

G

G

E

G

G

S

F

H

I

F

A

S

V

W

S

A

E

A

E

E

A

K

Q

R

R

N

R

E

F

L

W

W

A

A

E

A

R
|
R

S

H

R

N

T

A

-
x
W

-
x
Y

A

A

I

L

A

A

S

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

E

S

R

R

L

L

A

P

E

E

Y

-

T

-

E

-

G

-

V

-

E

-

R

-

I

I

N

L

V

V

E

E

Q

T

S

K

M

E

R

E

N

I

K

K

L

A

A

S

M

K

L

L

S

T

-

G

E

A

L

I

L

V

D

G

Y
x
H

L

V

G

G

G

D

D

G

M

N

P

F

E

A

V

C

R

I

Q

L

V

L

K

V

D

D

F

P

E

D

D

D

S

A

E

E

G

Q

D

R

R

R

I

V

L

K

A

A

D

F

K

A

K

E

A

N

A

L

A

G

R

R

D

R

H

A

L

L

S

A

binding (2R)-2-hydroxyhexanoic acid: R319 (= R513), W323 (vs. gap)
binding flavin-adenine dinucleotide: P68 (= P197), G70 (= G199), T71 (≠ G200), G72 (= G201), T73 (= T202), G74 (= G203), G78 (= G207), V79 (≠ A208), L90 (≠ T220), P132 (= P270), G133 (≠ T271), A134 (≠ S272), G140 (= G280), M141 (≠ N281), A143 (≠ S283), T144 (≠ M284), A146 (= A286), S147 (≠ G287), E200 (= E383), G201 (= G384), I206 (= I389), Y324 (vs. gap), H370 (≠ Y568)

Sites not aligning to the query:

8jdnA Crystal structure of h405a mldhd in complex with d-2-hydroxyvaleric acid (see paper)
24% identity, 35% coverage: 154:604/1286 of query aligns to 25:406/456 of 8jdnA

query
sites
8jdnA

R

R

V

E

S

Q

H

H

A

G

T

H

D

D

A

E

T

S

D

M

W

H

R

R

V

C

E

Q

I

P

P

P

F

D

L

A

V

V

L

V

T

W

P

P

D

Q

T

N

E

V

E

D

E

Q

I

V

A

S

P

R

L

V

V

A

A

S

T

L

C

C

I

Y

E

N

E

Q

G

G

L

V

T

P

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

D

Q

G

G

D

-

S

G

A

V

V

C

I

I

N

N

T
x
L

E

T

K

H

L

M

D

D

A

Q

I

I

S

T

P

E

V

L

E

N

E

T

V

E

D

D

L

F

P

S

G

V

V

V

D

V

T

E

P

P

V

-

S

-

T

-

I

-

H

-

V

-

G

-

A

-

G

G

A

V

V

T

T

R

R

K

R

A

V

L

S

N

E

T

R

H

A

L

E

R

A

D

H

S

G

G

R

L

V

W

F

F

A

P

V

V

D

D

P
|
P

T
x
G

S
x
A

Q

-

D

D

A

A

S

S

T

-

I

L

G

C

G
|
G

N
x
M

I

A

S
x
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

T

M

L

R

D

D

N

N

I

V

V

I

S

N

Y

L

R

E

M

V

I

V

T

L

A

P

E

D

A

G

K

-

W

-

I

-

E

-

V

-

E

-

R

R

L

L

D

L

H

H

N

T

L

A

G

G

K

R

L

-

D

-

L

-

D

-

T

-

V

-

R

-

F

-

R

-

V

-

T

-

R

-

Y

-

A

-

R

-

D

-

G

-

Q

-

T

-

Q

-

E

-

G

-

E

-

P

-

E

-

I

-

L

-

S

-

F

-

S

-

G

G

T

R

S

H

F

Y

R

R

K

K

P

S

G

A

L

A

G

G

K

Y

D

N

V

L

T

T

D

G

K

L

F

F

L

V

G

G

G

-

L

-

P

-

G

-

V

-

Q

-

K

S

E
|
E

G
|
G

C

T

D

L

G

G

L

I

I
|
I

T

T

S

S

A

T

R

T

M

L

L

R

V

L

H

H

R

P

M

A

P

P

E

E

H

A

Q

T

R

V

T

A

V

A

C

T

L

C

E

A

F

F

Y

-

G

-

D

P

D

S

L

V

H

Q

E

A

A

A

V

V

P

D

A

S

I

T

T

V

E

Q

I

I

R

-

D

-

L

-

A

L

D

Q

E

A

Q

A

V

V

A

P

L

V

A

A

G

R

L

I

E

E

H

F

L

L

D

D

E

D

R

V

Y

M

I

M

Q

D

A

A

V

C

D

N

Y

R

S

H

P

S

K

K

A

L

N

N

R

C

S

P

E

V

I

A

P

P

K

T

M

L

I

F

L

L

L

E

A

F

D

H

L

G

A

S

S

Q

D

-

H

-

P

-

D

Q

A

T

V

L

G

A

E

E

A

Q

A

L

S

Q

R

R

I

T

V

E

R

A

L

I

A

-

N

T

Q

Q

R

D

N

N

G

G

E

G

G

S

F

H

I

F

A

S

V

W

S

A

E

A

E

E

A

K

Q

R

R

N

R

E

F

L

W

W

A

A

E

A

R
|
R

S

H

R

N

T

A

-
x
W

-

Y

A

A

I

L

A

A

S

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

E

S

R

R

L

L

A

P

E

E

Y

-

T

-

E

-

G

-

V

-

E

-

R

-

I

I

N

L

V

V

E

E

Q

T

S

K

M

E

R

E

N

I

K

K

L

A

A

S

M

K

L

L

S

T

-

G

E

A

L

I

L

V

D

G

Y
x
H

L

V

G

G

G

D

D

G

M

N

P

F

E

A

V

C

R

I

Q

L

V

L

K

V

D

D

F

P

E

D

D

D

S

A

E

E

G

Q

D

R

R

R

I

V

L

K

A

A

D

F

K

A

K

E

A

N

A

L

A

G

R

R

D

R

H

A

L

L

S

A

binding flavin-adenine dinucleotide: P68 (= P197), G70 (= G199), T71 (≠ G200), G72 (= G201), T73 (= T202), G74 (= G203), G78 (= G207), V79 (≠ A208), L90 (≠ T220), P132 (= P270), G133 (≠ T271), A134 (≠ S272), G140 (= G280), M141 (≠ N281), A143 (≠ S283), T144 (≠ M284), A146 (= A286), S147 (≠ G287), E200 (= E383), G201 (= G384), I206 (= I389), H370 (≠ Y568)
binding (2R)-2-oxidanylpentanoic acid: R319 (= R513), W323 (vs. gap)

Sites not aligning to the query:

8jdgA Crystal structure of h405a mldhd in complex with d-2-hydroxybutanoic acid (see paper)
24% identity, 35% coverage: 154:604/1286 of query aligns to 25:406/456 of 8jdgA

query
sites
8jdgA

R

R

V

E

S

Q

H

H

A

G

T

H

D

D

A

E

T

S

D

M

W

H

R

R

V

C

E

Q

I

P

P

P

F

D

L

A

V

V

L

V

T

W

P

P

D

Q

T

N

E

V

E

D

E

Q

I

V

A

S

P

R

L

V

V

A

A

S

T

L

C

C

I

Y

E

N

E

Q

G

G

L

V

T

P

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

D

Q

G

G

D

-

S

G

A

V

V

C

I

I

N

N

T
x
L

E

T

K

H

L

M

D

D

A

Q

I

I

S

T

P

E

V

L

E

N

E

T

V

E

D

D

L

F

P

S

G

V

V

V

D

V

T

E

P

P

V

-

S

-

T

-

I

-

H

-

V

-

G

-

A

-

G

G

A

V

V

T

T

R

R

K

R

A

V

L

S

N

E

T

R

H

A

L

E

R

A

D

H

S

G

G

R

L

V

W

F

F

A

P

V

V

D

D

P
|
P

T
x
G

S
x
A

Q

-

D

D

A

A

S

S

T

-

I

L

G

C

G
|
G

N
x
M

I

A

S
x
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

T

M

L

R

D

D

N

N

I

V

V

I

S

N

Y

L

R

E

M

V

I

V

T

L

A

P

E

D

A

G

K

-

W

-

I

-

E

-

V

-

E

-

R

R

L

L

D

L

H

H

N

T

L

A

G

G

K

R

L

-

D

-

L

-

D

-

T

-

V

-

R

-

F

-

R

-

V

-

T

-

R

-

Y

-

A

-

R

-

D

-

G

-

Q

-

T

-

Q

-

E

-

G

-

E

-

P

-

E

-

I

-

L

-

S

-

F

-

S

-

G

G

T

R

S

H

F

Y

R

R

K

K

P

S

G

A

L

A

G

G

K

Y

D

N

V

L

T

T

D

G

K

L

F

F

L

V

G

G

G

-

L

-

P

-

G

-

V

-

Q

-

K

S

E
|
E

G
|
G

C

T

D

L

G

G

L

I

I
|
I

T

T

S

S

A

T

R

T

M

L

L

R

V

L

H

H

R

P

M

A

P

P

E

E

H

A

Q

T

R

V

T

A

V

A

C

T

L

C

E

A

F

F

Y

-

G

-

D

P

D

S

L

V

H

Q

E

A

A

A

V

V

P

D

A

S

I

T

T

V

E

Q

I

I

R

-

D

-

L

-

A

L

D

Q

E

A

Q

A

V

V

A

P

L

V

A

A

G

R

L

I

E

E

H

F

L

L

D

D

E

D

R

V

Y

M

I

M

Q

D

A

A

V

C

D

N

Y

R

S

H

P

S

K

K

A

L

N

N

R

C

S

P

E

V

I

A

P

P

K

T

M

L

I

F

L

L

L

E

A

F

D

H

L

G

A

S

S

Q

D

-

H

-

P

-

D

Q

A

T

V

L

G

A

E

E

A

Q

A

L

S

Q

R

R

I

T

V

E

R

A

L

I

A

-

N

T

Q

Q

R

D

N

N

G

G

E

G

G

S

F

H

I

F

A

S

V

W

S

A

E

A

E

E

A

K

Q

R

R

N

R

E

F

L

W

W

A

A

E

A

R
|
R

S

H

R

N

T

A

-

W

-

Y

A

A

I

L

A

A

S

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

E

S

R

R

L

L

A

P

E

E

Y

-

T

-

E

-

G

-

V

-

E

-

R

-

I

I

N

L

V

V

E

E

Q

T

S

K

M

E

R

E

N

I

K

K

L

A

A

S

M

K

L

L

S

T

-

G

E

A

L

I

L

V

D

G

Y
x
H

L

V

G

G

G

D

D

G

M

N

P

F

E

A

V

C

R

I

Q

L

V

L

K

V

D

D

F

P

E

D

D

D

S

A

E

E

G

Q

D

R

R

R

I

V

L

K

A

A

D

F

K

A

K

E

A

N

A

L

A

G

R

R

D

R

H

A

L

L

S

A

binding flavin-adenine dinucleotide: P68 (= P197), G70 (= G199), T71 (≠ G200), G72 (= G201), T73 (= T202), G74 (= G203), G78 (= G207), V79 (≠ A208), L90 (≠ T220), P132 (= P270), G133 (≠ T271), A134 (≠ S272), G140 (= G280), M141 (≠ N281), A143 (≠ S283), T144 (≠ M284), A146 (= A286), S147 (≠ G287), E200 (= E383), G201 (= G384), I206 (= I389), H370 (≠ Y568)
binding (2R)-2-oxidanylbutanoic acid: R319 (= R513)

Sites not aligning to the query:

8jdbA Crystal structure of h405a mldhd in complex with d-2-hydroxyoctanoic acid (see paper)
24% identity, 35% coverage: 154:604/1286 of query aligns to 25:406/456 of 8jdbA

query
sites
8jdbA

R

R

V

E

S

Q

H

H

A

G

T

H

D

D

A

E

T

S

D

M

W

H

R

R

V

C

E

Q

I

P

P

P

F

D

L

A

V

V

L

V

T

W

P

P

D

Q

T

N

E

V

E

D

E

Q

I

V

A

S

P

R

L

V

V

A

A

S

T

L

C

C

I

Y

E

N

E

Q

G

G

L

V

T

P

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

D

Q

G

G

D

-

S

G

A

V

V

C

I

I

N

N

T
x
L

E

T

K

H

L

M

D

D

A

Q

I

I

S

T

P

E

V

L

E

N

E

T

V

E

D

D

L

F

P

S

G

V

V

V

D

V

T

E

P

P

V

-

S

-

T

-

I

-

H

-

V

-

G

-

A

-

G

G

A

V

V

T

T

R

R

K

R

A

V

L

S

N

E

T

R

H

A

L

E

R

A

D

H

S

G

G

R

L

V

W

F

F

A

P

V

V

D

D

P
|
P

T
x
G

S
x
A

Q

-

D

D

A

A

S

S

T

-

I

L

G

C

G
|
G

N
x
M

I

A

S
x
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

T

M

L

R

D

D

N

N

I

V

V

I

S

N

Y

L

R

E

M

V

I

V

T

L

A

P

E

D

A

G

K

-

W

-

I

-

E

-

V

-

E

-

R

R

L

L

D

L

H

H

N

T

L

A

G

G

K

R

L

-

D

-

L

-

D

-

T

-

V

-

R

-

F

-

R

-

V

-

T

-

R

-

Y

-

A

-

R

-

D

-

G

-

Q

-

T

-

Q

-

E

-

G

-

E

-

P

-

E

-

I

-

L

-

S

-

F

-

S

-

G

G

T

R

S

H

F

Y

R

R

K

K

P

S

G

A

L

A

G

G

K

Y

D

N

V

L

T

T

D

G

K

L

F

F

L

V

G

G

G

-

L

-

P

-

G

-

V

-

Q

-

K

S

E
|
E

G
|
G

C

T

D

L

G

G

L

I

I
|
I

T

T

S

S

A

T

R

T

M

L

L

R

V

L

H

H

R

P

M

A

P

P

E

E

H

A

Q

T

R

V

T

A

V

A

C

T

L

C

E

A

F

F

Y

-

G

-

D

P

D

S

L

V

H

Q

E

A

A

A

V

V

P

D

A

S

I

T

T

V

E

Q

I

I

R

-

D

-

L

-

A

L

D

Q

E

A

Q

A

V

V

A

P

L

V

A

A

G

R

L

I

E

E

H

F

L

L

D

D

E

D

R

V

Y

M

I

M

Q

D

A

A

V

C

D

N

Y

R

S

H

P

S

K

K

A

L

N

N

R

C

S

P

E

V

I

A

P

P

K

T

M

L

I

F

L

L

L

E

A

F

D

H

L

G

A

S

S

Q

D

-

H

-

P

-

D

Q

A

T

V

L

G

A

E

E

A

Q

A

L

S

Q

R

R

I

T

V

E

R

A

L

I

A

-

N

T

Q

Q

R

D

N

N

G

G

E

G

G

S

F

H

I

F

A

S

V

W

S

A

E

A

E

E

A

K

Q

R

R

N

R

E

F

L

W

W

A

A

E

A

R
|
R

S

H

R

N

T

A

-
x
W

-
x
Y

A

A

I

L

A

A

S

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

E

S

R

R

L

L

A

P

E

E

Y

-

T

-

E

-

G

-

V

-

E

-

R

-

I

I

N

L

V

V

E

E

Q

T

S

K

M

E

R

E

N

I

K

K

L

A

A

S

M

K

L

L

S

T

-

G

E

A

L

I

L

V

D

G

Y
x
H

L

V

G

G

G

D

D

G

M

N

P

F

E

A

V

C

R

I

Q

L

V

L

K

V

D

D

F

P

E

D

D

D

S

A

E

E

G

Q

D

R

R

R

I

V

L

K

A

A

D

F

K

A

K

E

A

N

A

L

A

G

R

R

D

R

H

A

L

L

S

A

binding flavin-adenine dinucleotide: P68 (= P197), G70 (= G199), T71 (≠ G200), G72 (= G201), T73 (= T202), G74 (= G203), G78 (= G207), V79 (≠ A208), L90 (≠ T220), P132 (= P270), G133 (≠ T271), A134 (≠ S272), G140 (= G280), M141 (≠ N281), A143 (≠ S283), T144 (≠ M284), A146 (= A286), S147 (≠ G287), E200 (= E383), G201 (= G384), I206 (= I389), Y324 (vs. gap), H370 (≠ Y568)
binding (2R)-2-oxidanyloctanoic acid: V75 (≠ Y204), R319 (= R513), W323 (vs. gap)

Sites not aligning to the query:

8jdvA Crystal structure of mldhd in complex with 2-ketohexanoic acid (see paper)
24% identity, 35% coverage: 154:604/1286 of query aligns to 25:404/454 of 8jdvA

query
sites
8jdvA

R

R

V

E

S

Q

H

H

A

G

T

H

D

D

A

E

T

S

D

M

W

H

R

R

V

C

E

Q

I

P

P

P

F

D

L

A

V

V

L

V

T

W

P

P

D

Q

T

N

E

V

E

D

E

Q

I

V

A

S

P

R

L

V

V

A

A

S

T

L

C

C

I

Y

E

N

E

Q

G

G

L

V

T

P

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

D

Q

G

G

D

-

S

G

A

V

V

C

I

I

N

N

T
x
L

E

T

K

H

L

M

D

D

A

Q

I

I

S

T

P

E

V

L

E

N

E

T

V

E

D

D

L

F

P

S

G

V

V

V

D

V

T

E

P

P

V

-

S

-

T

-

I

-

H

-

V

-

G

-

A

-

G

G

A

V

V

T

T

R

R

K

R

A

V

L

S

N

E

T

R

H

A

L

E

R

A

D

H

S

G

G

R

L

V

W

F

F

A

P

V

V

D

D

P
|
P

T
x
G

S
x
A

Q

-

D

D

A

A

S

S

T

-

I

L

G

C

G
|
G

N
x
M

I

A

S
x
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

T

M

L

R

D

D

N

N

I

V

V

I

S

N

Y

L

R

E

M

V

I

V

T

L

A

P

E

D

A

G

K

-

W

-

I

-

E

-

V

-

E

-

R

R

L

L

D

L

H

H

N

T

L

A

G

G

K

R

L

-

D

-

L

-

D

-

T

-

V

-

R

-

F

-

R

-

V

-

T

-

R

-

Y

-

A

-

R

-

D

-

G

-

Q

-

T

-

Q

-

E

-

G

-

E

-

P

-

E

-

I

-

L

-

S

-

F

-

S

-

G

G

T

R

S

H

F

Y

R

R

K

K

P

S

G

A

L

A

G

G

K

Y

D

N

V

L

T

T

D

G

K

L

F

F

L

V

G

G

G

-

L

-

P

-

G

-

V

-

Q

-

K

S

E
|
E

G
|
G

C

T

D

L

G

G

L

I

I
|
I

T

T

S

S

A

T

R

T

M

L

L

R

V

L

H

H

R

P

M

A

P

P

E

E

H

A

Q

T

R

V

T

A

V

A

C

T

L

C

E

A

F

F

Y

-

G

-

D

P

D

S

L

V

H

Q

E

A

A

A

V

V

P

D

A

S

I

T

T

V

E

Q

I

I

R

-

D

-

L

-

A

L

D

Q

E

A

Q

A

V

V

A

P

L

V

A

A

G

R

L

I

E

E

H

F

L

L

D

D

E

D

R

V

Y

M

I

M

Q

D

A

A

V

C

D

N

Y

R

S

H

P

S

K

K

A

L

N

N

R

C

S

P

E

V

I

A

P

P

K

T

M

L

I

F

L

L

L

E

A

F

D

H

L

G

A

S

S

Q

D

-

H

-

P

-

D

Q

A

T

V

L

G

A

E

E

A

Q

A

L

S

Q

R

R

I

T

V

E

R

A

L

I

A

T

N

Q

Q

D

R

N

N

G

G

G

E

S

G

H

F

F

I

-

A

-

V

-

S

S

E

A

E

E

A

K

Q

R

R

N

R

E

F

L

W

W

A

A

E

A

R
|
R

S

H

R

N

T

A

-
x
W

-
x
Y

A

A

I

L

A

A

S

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

E

S

R

R

L

L

A

P

E

E

Y

-

T

-

E

-

G

-

V

-

E

-

R

-

I

I

N

L

V

V

E

E

Q

T

S

K

M

E

R

E

N

I

K

K

L

A

A

S

M

K

L

L

S

T

-

G

E

A

L

I

L

V

D

G

Y
x
H

L

V

G

G

G

D

D

G

M

N

P

F

E
x
H

V

C

R

I

Q

L

V

L

K

V

D

D

F

P

E

D

D

D

S

A

E

E

G

Q

D

R

R

R

I

V

L

K

A

A

D

F

K

A

K

E

A

N

A

L

A

G

R

R

D

R

H

A

L

L

S

A

binding 2-Ketohexanoic acid: V75 (≠ Y204), R317 (= R513), W321 (vs. gap), H368 (≠ Y568), H375 (≠ E575)
binding flavin-adenine dinucleotide: P68 (= P197), G70 (= G199), T71 (≠ G200), G72 (= G201), T73 (= T202), G74 (= G203), G78 (= G207), V79 (≠ A208), L90 (≠ T220), P132 (= P270), G133 (≠ T271), A134 (≠ S272), G140 (= G280), M141 (≠ N281), A143 (≠ S283), T144 (≠ M284), A146 (= A286), S147 (≠ G287), E200 (= E383), G201 (= G384), I206 (= I389), W321 (vs. gap), Y322 (vs. gap)
binding manganese (ii) ion: H368 (≠ Y568), H375 (≠ E575)

Sites not aligning to the query:

8jduA Crystal structure of mldhd in complex with 2-ketovaleric acid (see paper)
24% identity, 35% coverage: 154:604/1286 of query aligns to 25:405/455 of 8jduA

query
sites
8jduA

R

R

V

E

S

Q

H

H

A

G

T

H

D

D

A

E

T

S

D

M

W

H

R

R

V

C

E

Q

I

P

P

P

F

D

L

A

V

V

L

V

T

W

P

P

D

Q

T

N

E

V

E

D

E

Q

I

V

A

S

P

R

L

V

V

A

A

S

T

L

C

C

I

Y

E

N

E

Q

G

G

L

V

T

P

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

D

Q

G

G

D

-

S

G

A

V

V

C

I

I

N

N

T
x
L

E

T

K

H

L

M

D

D

A

Q

I

I

S

T

P

E

V

L

E

N

E

T

V

E

D

D

L

F

P

S

G

V

V

V

D

V

T

E

P

P

V

-

S

-

T

-

I

-

H

-

V

-

G

-

A

-

G

G

A

V

V

T

T

R

R

K

R

A

V

L

S

N

E

T

R

H

A

L

E

R

A

D

H

S

G

G

R

L

V

W

F

F

A

P

V

V

D

D

P
|
P

T
x
G

S
x
A

Q

-

D

D

A

A

S

S

T

-

I

L

G

C

G
|
G

N
x
M

I

A

S
x
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

T

M

L

R

D

D

N

N

I

V

V

I

S

N

Y

L

R

E

M

V

I

V

T

L

A

P

E

D

A

G

K

-

W

-

I

-

E

-

V

-

E

-

R

R

L

L

D

L

H

H

N

T

L

A

G

G

K

R

L

-

D

-

L

-

D

-

T

-

V

-

R

-

F

-

R

-

V

-

T

-

R

-

Y

-

A

-

R

-

D

-

G

-

Q

-

T

-

Q

-

E

-

G

-

E

-

P

-

E

-

I

-

L

-

S

-

F

-

S

-

G

G

T

R

S

H

F

Y

R

R

K

K

P

S

G

A

L

A

G

G

K

Y

D

N

V

L

T

T

D

G

K

L

F

F

L

V

G

G

G

-

L

-

P

-

G

-

V

-

Q

-

K

S

E
|
E

G
|
G

C

T

D

L

G

G

L

I

I
|
I

T

T

S

S

A

T

R

T

M

L

L

R

V

L

H

H

R

P

M

A

P

P

E

E

H

A

Q

T

R

V

T

A

V

A

C

T

L

C

E

A

F

F

Y

-

G

-

D

P

D

S

L

V

H

Q

E

A

A

A

V

V

P

D

A

S

I

T

T

V

E

Q

I

I

R

-

D

-

L

-

A

L

D

Q

E

A

Q

A

V

V

A

P

L

V

A

A

G

R

L

I

E

E

H

F

L

L

D

D

E

D

R

V

Y

M

I

M

Q

D

A

A

V

C

D

N

Y

R

S

H

P

S

K

K

A

L

N

N

R

C

S

P

E

V

I

A

P

P

K

T

M

L

I

F

L

L

L

-

A

-

D

-

L

-

A

-

S

-

D

E

H

F

P

H

D

G

A

S

V

Q

G

Q

E

T

A

L

A

A

S

E

R

Q

I

L

V

Q

R

R

L

T

-

E

A

A

N

I

Q

T

R

Q

N

N

G

G

E

G

G

S

F

H

I

F

A

S

V

W

S

A

E

A

E

E

A

K

Q

R

R

N

R

E

F

L

W

W

A

A

E

A

R
|
R

S

H

R

N

T

A

-
x
W

-

Y

A

A

I

L

A

A

S

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

E

S

R

R

L

L

A

P

E

E

Y

-

T

-

E

-

G

-

V

-

E

-

R

-

I

I

N

L

V

V

E

E

Q

T

S

K

M

E

R

E

N

I

K

K

L

A

A

S

M

K

L

L

S

T

-

G

E

A

L

I

L

V

D

G

Y
x
H

L

V

G

G

G

D

D

G

M

N

P

F

E
x
H

V

C

R

I

Q

L

V

L

K

V

D

D

F

P

E

D

D

D

S

A

E

E

G

Q

D

R

R

R

I

V

L

K

A

A

D

F

K

A

K

E

A

N

A

L

A

G

R

R

D

R

H

A

L

L

S

A

binding 2-oxopentanoic acid: R318 (= R513), W322 (vs. gap), H369 (≠ Y568), H376 (≠ E575)
binding flavin-adenine dinucleotide: P68 (= P197), G70 (= G199), T71 (≠ G200), G72 (= G201), T73 (= T202), G74 (= G203), G78 (= G207), V79 (≠ A208), L90 (≠ T220), P132 (= P270), G133 (≠ T271), A134 (≠ S272), G140 (= G280), M141 (≠ N281), A143 (≠ S283), T144 (≠ M284), A146 (= A286), S147 (≠ G287), E200 (= E383), G201 (= G384), I206 (= I389), W322 (vs. gap)
binding manganese (ii) ion: H369 (≠ Y568), H376 (≠ E575)

Sites not aligning to the query:

8jdeA Crystal structure of mldhd in complex with d-lactate (see paper)
24% identity, 35% coverage: 154:604/1286 of query aligns to 25:405/455 of 8jdeA

query
sites
8jdeA

R

R

V

E

S

Q

H

H

A

G

T

H

D

D

A

E

T

S

D

M

W

H

R

R

V

C

E

Q

I

P

P

P

F

D

L

A

V

V

L

V

T

W

P

P

D

Q

T

N

E

V

E

D

E

Q

I

V

A

S

P

R

L

V

V

A

A

S

T

L

C

C

I

Y

E

N

E

Q

G

G

L

V

T

P

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

D

Q

G

G

D

-

S

G

A

V

V

C

I

I

N

N

T
x
L

E

T

K

H

L

M

D

D

A

Q

I

I

S

T

P

E

V

L

E

N

E

T

V

E

D

D

L

F

P

S

G

V

V

V

D

V

T

E

P

P

V

-

S

-

T

-

I

-

H

-

V

-

G

-

A

-

G

G

A

V

V

T

T

R

R

K

R

A

V

L

S

N

E

T

R

H

A

L

E

R

A

D

H

S

G

G

R

L

V

W

F

F

A

P

V

V

D

D

P
|
P

T
x
G

S
x
A

Q

-

D

D

A

A

S

S

T

-

I

L

G

C

G
|
G

N
x
M

I

A

S
x
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

T

M

L

R

D

D

N

N

I

V

V

I

S

N

Y

L

R

E

M

V

I

V

T

L

A

P

E

D

A

G

K

-

W

-

I

-

E

-

V

-

E

-

R

R

L

L

D

L

H

H

N

T

L

A

G

G

K

R

L

-

D

-

L

-

D

-

T

-

V

-

R

-

F

-

R

-

V

-

T

-

R

-

Y

-

A

-

R

-

D

-

G

-

Q

-

T

-

Q

-

E

-

G

-

E

-

P

-

E

-

I

-

L

-

S

-

F

-

S

-

G

G

T

R

S

H

F

Y

R

R

K

K

P

S

G

A

L

A

G

G

K

Y

D

N

V

L

T

T

D

G

K

L

F

F

L

V

G

G

G

-

L

-

P

-

G

-

V

-

Q

-

K

S

E
|
E

G
|
G

C

T

D

L

G

G

L

I

I
|
I

T

T

S

S

A

T

R

T

M

L

L

R

V

L

H

H

R

P

M

A

P

P

E

E

H

A

Q

T

R

V

T

A

V

A

C

T

L

C

E

A

F

F

Y

-

G

-

D

P

D

S

L

V

H

Q

E

A

A

A

V

V

P

D

A

S

I

T

T

V

E

Q

I

I

R

-

D

-

L

-

A

L

D

Q

E

A

Q

A

V

V

A

P

L

V

A

A

G

R

L

I

E

E

H

F

L

L

D

D

E

D

R

V

Y

M

I

M

Q

D

A

A

V

C

D

N

Y

R

S

H

P

S

K

K

A

L

N

N

R

C

S

P

E

V

I

A

P

P

K

T

M

L

I

F

L

L

L

E

A

F

D

H

L

G

A

S

S

Q

D

-

H

-

P

-

D

Q

A

T

V

L

G

A

E

E

A

Q

A

L

S

Q

R

R

I

T

V

E

R

A

L

I

A

T

N

Q

Q

D

R

N

N

G

G

G

E

S

G

H

F

F

I

S

A

W

V

A

S

A

E

E

E

-

A

-

Q

K

R

N

R

E

F

L

W

W

A

A

E

A

R
|
R

S

H

R

N

T

A

-
x
W

-

Y

A

A

I

L

A

A

S

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

E

S

R

R

L

L

A

P

E

E

Y

-

T

-

E

-

G

-

V

-

E

-

R

-

I

I

N

L

V

V

E

E

Q

T

S

K

M

E

R

E

N

I

K

K

L

A

A

S

M

K

L

L

S

T

-

G

E

A

L

I

L

V

D

G

Y
x
H

L

V

G

G

G

D

D

G

M

N

P

F

E
x
H

V

C

R

I

Q

L

V

L

K

V

D

D

F

P

E

D

D

D

S

A

E

E

G

Q

D

R

R

R

I

V

L

K

A

A

D

F

K

A

K

E

A

N

A

L

A

G

R

R

D

R

H

A

L

L

S

A

binding flavin-adenine dinucleotide: P68 (= P197), G70 (= G199), T71 (≠ G200), G72 (= G201), T73 (= T202), G74 (= G203), G78 (= G207), V79 (≠ A208), L90 (≠ T220), P132 (= P270), G133 (≠ T271), A134 (≠ S272), G140 (= G280), M141 (≠ N281), A143 (≠ S283), T144 (≠ M284), A146 (= A286), S147 (≠ G287), E200 (= E383), G201 (= G384), I206 (= I389), W322 (vs. gap)
binding lactic acid: R318 (= R513), H369 (≠ Y568), H376 (≠ E575)
binding manganese (ii) ion: H369 (≠ Y568), H376 (≠ E575)

Sites not aligning to the query:

8jdpA Crystal structure of h405a mldhd in complex with d-2-hydroxyisovaleric acid (see paper)
25% identity, 35% coverage: 154:604/1286 of query aligns to 25:405/455 of 8jdpA

query
sites
8jdpA

R

R

V

E

S

Q

H

H

A

G

T

H

D

D

A

E

T

S

D

M

W

H

R

R

V

C

E

Q

I

P

P

P

F

D

L

A

V

V

L

V

T

W

P

P

D

Q

T

N

E

V

E

D

E

Q

I

V

A

S

P

R

L

V

V

A

A

S

T

L

C

C

I

Y

E

N

E

Q

G

G

L

V

T

P

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

D

Q

G

G

D

-

S

G

A

V

V

C

I

I

N

N

T
x
L

E

T

K

H

L

M

D

D

A

Q

I

I

S

T

P

E

V

L

E

N

E

T

V

E

D

D

L

F

P

S

G

V

V

V

D

V

T

E

P

P

V

-

S

-

T

-

I

-

H

-

V

-

G

-

A

-

G

G

A

V

V

T

T

R

R

K

R

A

V

L

S

N

E

T

R

H

A

L

E

R

A

D

H

S

G

G

R

L

V

W

F

F

A

P

V

V

D

D

P
|
P

T
x
G

S
x
A

Q

-

D

D

A

A

S

S

T

-

I

L

G

C

G
|
G

N
x
M

I

A

S
x
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

T

M

L

R

D

D

N

N

I

V

V

I

S

N

Y

L

R

E

M

V

I

V

T

L

A

P

E

D

A

G

K

-

W

-

I

-

E

-

V

-

E

-

R

R

L

L

D

L

H

H

N

T

L

A

G

G

K

R

L

-

D

-

L

-

D

-

T

-

V

-

R

-

F

-

R

-

V

-

T

-

R

-

Y

-

A

-

R

-

D

-

G

-

Q

-

T

-

Q

-

E

-

G

-

E

-

P

-

E

-

I

-

L

-

S

-

F

-

S

-

G

G

T

R

S

H

F

Y

R

R

K

K

P

S

G

A

L

A

G

G

K

Y

D

N

V

L

T

T

D

G

K

L

F

F

L

V

G

G

G

-

L

-

P

-

G

-

V

-

Q

-

K

S

E
|
E

G
|
G

C

T

D

L

G

G

L

I

I
|
I

T

T

S

S

A

T

R

T

M

L

L

R

V

L

H

H

R

P

M

A

P

P

E

E

H

A

Q

T

R

V

T

A

V

A

C

T

L

C

E

A

F

F

Y

-

G

-

D

P

D

S

L

V

H

Q

E

A

A

A

V

V

P

D

A

S

I

T

T

V

E

Q

I

I

R

-

D

-

L

-

A

L

D

Q

E

A

Q

A

V

V

A

P

L

V

A

A

G

R

L

I

E

E

H

F

L

L

D

D

E

D

R

V

Y

M

I

M

Q

D

A

A

V

C

D

N

Y

R

S

H

P

S

K

K

A

L

N

N

R

C

S

P

E

V

I

A

P

P

K

T

M

L

I

F

L

L

L

E

A

F

D

H

L

G

A

S

S

Q

D

-

H

-

P

-

D

Q

A

T

V

L

G

A

E

E

A

Q

A

L

S

Q

R

R

I

T

V

E

R

A

L

I

A

-

N

T

Q

Q

R

D

N

N

G

G

E

G

G

S

F

H

I

F

A

S

V

W

S

A

E

A

E

E

A

K

Q

R

R

N

R

E

F

L

W

W

A

A

E

A

R
|
R

S

H

R

N

T

A

-

W

-

Y

A

A

I

L

A

A

-

L

S

S

H

P

T

S

N

K

A

A

F

Y

K

-

I

-

N

S

E

T

D

D

V

V

V

C

I

V

P

P

L

I

E

S

R

R

L

L

A

P

E

E

Y

-

T

-

E

-

G

-

V

-

E

-

R

-

I

I

N

L

V

V

E

E

Q

T

S

K

M

E

R

E

N

I

K

K

L

A

A

S

M

K

L

L

S

T

-

G

E

A

L

I

L

V

D

G

Y
x
H

L

V

G

G

G

D

D

G

M

N

P

F

E

A

V

C

R

I

Q

L

V

L

K

V

D

D

F

P

E

D

D

D

S

A

E

E

G

Q

D

R

R

R

I

V

L

K

A

A

D

F

K

A

K

E

A

N

A

L

A

G

R

R

D

R

H

A

L

L

S

A

binding flavin-adenine dinucleotide: P68 (= P197), G70 (= G199), T71 (≠ G200), G72 (= G201), T73 (= T202), G74 (= G203), G78 (= G207), V79 (≠ A208), L90 (≠ T220), P132 (= P270), G133 (≠ T271), A134 (≠ S272), G140 (= G280), M141 (≠ N281), A143 (≠ S283), T144 (≠ M284), A146 (= A286), S147 (≠ G287), E200 (= E383), G201 (= G384), I206 (= I389), H369 (≠ Y568)
binding deaminohydroxyvaline: R319 (= R513)

Sites not aligning to the query:

8jdtA Crystal structure of mldhd in complex with 2-ketobutanoic acid (see paper)
24% identity, 35% coverage: 154:604/1286 of query aligns to 25:405/455 of 8jdtA

query
sites
8jdtA

R

R

V

E

S

Q

H

H

A

G

T

H

D

D

A

E

T

S

D

M

W

H

R

R

V

C

E

Q

I

P

P

P

F

D

L

A

V

V

L

V

T

W

P

P

D

Q

T

N

E

V

E

D

E

Q

I

V

A

S

P

R

L

V

V

A

A

S

T

L

C

C

I

Y

E

N

E

Q

G

G

L

V

T

P

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

D

Q

G

G

D

-

S

G

A

V

V

C

I

I

N

N

T
x
L

E

T

K

H

L

M

D

D

A

Q

I

I

S

T

P

E

V

L

E

N

E

T

V

E

D

D

L

F

P

S

G

V

V

V

D

V

T

E

P

P

V

-

S

-

T

-

I

-

H

-

V

-

G

-

A

-

G

G

A

V

V

T

T

R

R

K

R

A

V

L

S

N

E

T

R

H

A

L

E

R

A

D

H

S

G

G

R

L

V

W

F

F

A

P

V

V

D

D

P
|
P

T
x
G

S
x
A

Q

-

D

D

A

A

S

S

T

-

I

L

G

C

G
|
G

N
x
M

I

A

S
x
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

T

M

L

R

D

D

N

N

I

V

V

I

S

N

Y

L

R

E

M

V

I

V

T

L

A

P

E

D

A

G

K

-

W

-

I

-

E

-

V

-

E

-

R

R

L

L

D

L

H

H

N

T

L

A

G

G

K

R

L

-

D

-

L

-

D

-

T

-

V

-

R

-

F

-

R

-

V

-

T

-

R

-

Y

-

A

-

R

-

D

-

G

-

Q

-

T

-

Q

-

E

-

G

-

E

-

P

-

E

-

I

-

L

-

S

-

F

-

S

-

G

G

T

R

S

H

F

Y

R

R

K

K

P

S

G

A

L

A

G

G

K

Y

D

N

V

L

T

T

D

G

K

L

F

F

L

V

G

G

G

-

L

-

P

-

G

-

V

-

Q

-

K

S

E
|
E

G
|
G

C

T

D

L

G

G

L

I

I
|
I

T

T

S

S

A

T

R

T

M

L

L

R

V

L

H

H

R

P

M

A

P

P

E

E

H

A

Q

T

R

V

T

A

V

A

C

T

L

C

E

A

F

F

Y

-

G

-

D

P

D

S

L

V

H

Q

E

A

A

A

V

V

P

D

A

S

I

T

T

V

E

Q

I

I

R

-

D

-

L

-

A

L

D

Q

E

A

Q

A

V

V

A

P

L

V

A

A

G

R

L

I

E

E

H

F

L

L

D

D

E

D

R

V

Y

M

I

M

Q

D

A

A

V

C

D

N

Y

R

S

H

P

S

K

K

A

L

N

N

R

C

S

P

E

V

I

A

P

P

K

T

M

L

I

F

L

L

L

E

A

F

D

H

L

G

A

S

S

Q

D

-

H

-

P

-

D

Q

A

T

V

L

G

A

E

E

A

Q

A

L

S

Q

R

R

I

T

V

E

R

A

L

I

A

T

N

Q

Q

D

R

N

N

G

G

G

E

S

G

H

F

F

I

S

A

W

V

A

S

-

E

-

E

E

A

K

Q

R

R

N

R

E

F

L

W

W

A

A

E

A

R
|
R

S

H

R

N

T

A

-
x
W

-

Y

A

A

I

L

A

A

S

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

E

S

R

R

L

L

A

P

E

E

Y

-

T

-

E

-

G

-

V

-

E

-

R

-

I

I

N

L

V

V

E

E

Q

T

S

K

M

E

R

E

N

I

K

K

L

A

A

S

M

K

L

L

S

T

-

G

E

A

L

I

L

V

D

G

Y
x
H

L

V

G

G

G

D

D

G

M

N

P

F

E
x
H

V

C

R

I

Q

L

V

L

K

V

D

D

F

P

E

D

D

D

S

A

E

E

G

Q

D

R

R

R

I

V

L

K

A

A

D

F

K

A

K

E

A

N

A

L

A

G

R

R

D

R

H

A

L

L

S

A

binding 2-ketobutyric acid: R318 (= R513), H369 (≠ Y568), H376 (≠ E575)
binding flavin-adenine dinucleotide: P68 (= P197), G70 (= G199), T71 (≠ G200), G72 (= G201), T73 (= T202), G74 (= G203), G78 (= G207), V79 (≠ A208), L90 (≠ T220), P132 (= P270), G133 (≠ T271), A134 (≠ S272), G140 (= G280), M141 (≠ N281), A143 (≠ S283), T144 (≠ M284), A146 (= A286), S147 (≠ G287), E200 (= E383), G201 (= G384), I206 (= I389), W322 (vs. gap)
binding manganese (ii) ion: H369 (≠ Y568), H376 (≠ E575)

Sites not aligning to the query:

8jdxA Crystal structure of mldhd in complex with 2-ketoisovaleric acid (see paper)
24% identity, 35% coverage: 154:604/1286 of query aligns to 25:405/455 of 8jdxA

query
sites
8jdxA

R

R

V

E

S

Q

H

H

A

G

T

H

D

D

A
x
E

T

S

D

M

W

H

R

R

V

C

E

Q

I

P

P

P

F

D

L

A

V

V

L

V

T

W

P

P

D

Q

T

N

E

V

E

D

E

Q

I

V

A

S

P

R

L

V

V

A

A

S

T

L

C

C

I

Y

E

N

E

Q

G

G

L

V

T

P

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

D

Q

G

G

D

-

S

G

A

V

V

C

I

I

N

N

T
x
L

E

T

K

H

L

M

D

D

A

Q

I

I

S

T

P

E

V

L

E

N

E

T

V

E

D

D

L

F

P

S

G

V

V

V

D

V

T

E

P

P

V

-

S

-

T

-

I

-

H

-

V

-

G

-

A

-

G

G

A

V

V

T

T

R

R

K

R

A

V

L

S

N

E

T

R

H

A

L

E

R

A

D

H

S

G

G

R

L

V

W

F

F

A

P

V

V

D

D

P
|
P

T
x
G

S
x
A

Q

-

D

D

A

A

S

S

T

-

I

L

G

C

G
|
G

N
x
M

I

A

S
x
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

T

M

L

R

D

D

N

N

I

V

V

I

S

N

Y

L

R

E

M

V

I

V

T

L

A

P

E

D

A

G

K

-

W

-

I

-

E

-

V

-

E

-

R

R

L

L

D

L

H

H

N

T

L

A

G

G

K

R

L

-

D

-

L

-

D

-

T

-

V

-

R

-

F

-

R

-

V

-

T

-

R

-

Y

-

A

-

R

-

D

-

G

-

Q

-

T

-

Q

-

E

-

G

-

E

-

P

-

E

-

I

-

L

-

S

-

F

-

S

-

G

G

T

R

S

H

F

Y

R

R

K

K

P

S

G

A

L

A

G

G

K

Y

D

N

V

L

T

T

D

G

K

L

F

F

L

V

G

G

G

-

L

-

P

-

G

-

V

-

Q

-

K

S

E
|
E

G
|
G

C

T

D

L

G

G

L

I

I
|
I

T

T

S

S

A

T

R

T

M

L

L

R

V

L

H

H

R

P

M

A

P

P

E

E

H

A

Q

T

R

V

T

A

V

A

C

T

L

C

E

A

F

F

Y

-

G

-

D

P

D

S

L

V

H

Q

E

A

A

A

V

V

P

D

A

S

I

T

T

V

E

Q

I

I

R

-

D

-

L

-

A

L

D

Q

E

A

Q

A

V

V

A

P

L

V

A

A

G

R

L

I

E

E

H

F

L

L

D

D

E

D

R

V

Y

M

I

M

Q

D

A

A

V

C

D

N

Y

R

S

H

P

-

K

S

A

L

N

N

R

C

S

P

E

V

I

A

P

P

K

T

M

L

I

F

L

L

L

E

A

F

D

H

L

G

A

S

S

Q

D

-

H

-

P

-

D

Q

A

T

V

L

G

A

E

E

A

Q

A

L

S

Q

R

R

I

T

V

E

R

A

L

I

A

-

N

T

Q

Q

R

D

N

N

G

G

E

G

G

S

F

H

I

F

A

S

V

W

S

A

E

A

E

E

A

K

Q

R

R

N

R

E

F

L

W

W

A

A

E

A

R
|
R

S

H

R

N

T

A

-
x
W

-

Y

A

A

I

L

A

A

S

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

E

S

R

R

L

L

A

P

E

E

Y

-

T

-

E

-

G

-

V

-

E

-

R

-

I

I

N

L

V

V

E

E

Q

T

S

K

M

E

R

E

N

I

K

K

L

A

A

S

M

K

L

L

S

T

-

G

E

A

L

I

L

V

D

G

Y
x
H

L

V

G

G

G

D

D

G

M

N

P

F

E
x
H

V

C

R

I

Q

L

V

L

K

V

D

D

F

P

E

D

D

D

S

A

E

E

G

Q

D

R

R

R

I

V

L

K

A

A

D

F

K

A

K

E

A

N

A

L

A

G

R

R

D

R

H

A

L

L

S

A

binding flavin-adenine dinucleotide: E32 (≠ A161), P68 (= P197), G70 (= G199), T71 (≠ G200), G72 (= G201), T73 (= T202), G74 (= G203), G78 (= G207), V79 (≠ A208), L90 (≠ T220), P132 (= P270), G133 (≠ T271), A134 (≠ S272), G140 (= G280), M141 (≠ N281), A143 (≠ S283), T144 (≠ M284), A146 (= A286), S147 (≠ G287), E200 (= E383), G201 (= G384), I206 (= I389), W322 (vs. gap)
binding 3-methyl-2-oxobutanoic acid: R318 (= R513), H369 (≠ Y568), H376 (≠ E575)
binding manganese (ii) ion: H369 (≠ Y568), H376 (≠ E575)

Sites not aligning to the query:

Query Sequence

>WP_011812871.1 NCBI__GCF_000015585.1:WP_011812871.1
MAAINQEPTRIREIPYNYTSFSDREIVVRFLGEETWDLLNELRGERRTGISARMLFEVLG
DLWVVSRNPYIQDDLINTPKRLRALVSSMHHRVDQIFARANGNQKGIDLGERARRAVQEF
EQHYRRQRQRRQRIKRRLARFTRSDNICFDGLSRVSHATDATDWRVEIPFLVLTPDTEEE
IAPLVATCIEEGLTIIPRGGGTGYTGGAVPLDGDSAVINTEKLDAISPVEEVDLPGVDTP
VSTIHVGAGAVTRRVSERAEAHGRVFAVDPTSQDASTIGGNISMNAGGKKAVLWGTTLDN
IVSYRMITAEAKWIEVERLDHNLGKLDDLDTVRFRVTRYARDGQTQEGEPEILSFSGTSF
RKPGLGKDVTDKFLGGLPGVQKEGCDGLITSARMLVHRMPEHQRTVCLEFYGDDLHEAVP
AITEIRDDLLADEQVALAGLEHLDERYIQAVDYSPKANRSEIPKMILLADLASDHPDAVG
EAASRIVRLANQRNGEGFIAVSEEAQRRFWAERSRTAAIASHTNAFKINEDVVIPLERLA
EYTEGVERINVEQSMRNKLAMLSELLDYLGGDMPEVRQVKDFEDSEEGDRILADKKAAAR
DHLSQVRERWQQILEAFDAAAADRDDLLDDTARADLRAGDRIIDLLLRRSLRISYRREVE
RPLEEFFKGRDLQPVRARFTEIHDRVLRSRLFVALHMHAGDGNVHTNIPVNSGDYGMMRE
AERIVDRIMELAQSLGGVITGEHGVGLTKMQYLDPEQVQRFAEFIDRVDPEGRFNRGKLM
PGSGLENAYTPSLFLVEEEALILEESELGELNRDIKDCLRCGKCKPVCSTHVPRANLLYS
PRNKILAAGLIIEAFLYEEQTRRGLSLRHFDVMNDVADHCTICHKCLKPCPVNIDFGDVT
IRLRDILQRRKQRRTRLQTRVAMGFLNLTDPRLIKALRLGMARFGFAAQRQVSQGLRRMG
VFPLKRRPGSTTERSSIPAQAVHFLEKPMPAAVPPQGMRQILGAEESDHIPIIRDPQRTD
ENSEAVFYFPGCGPERLFSQVGMATLAMLHDSGVKTVLPPGYLCCGYPQHAGGYIDRAKE
ITTANRVLLHRVANTLNYMDIQTVVVSCGTCISQLELYEFNRIFPGCRLIDIHEFLLEKG
YRLEGSKETQYLYHDPCHPSIKTQNPTGVASELMGQPVQLSDRCCGESGIFAVSRPDISS
QVRHRKQEEIRQGVQSLTGAARAEDGNVRMLTTCPSCLQGLSRYREDTGVEADYIVTEMA
RELLGEDWQERFTEQARKGSLEKVLL

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