SitesBLAST

3ws7A The 1.18 a resolution structure of l-serine 3-dehydrogenase complexed with NADP+ and sulfate ion from the hyperthermophilic archaeon pyrobaculum calidifontis (see paper)
40% identity, 92% coverage: 3:269/291 of query aligns to 15:277/293 of 3ws7A

query
sites
3ws7A

K

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binding nadp nicotinamide-adenine-dinucleotide phosphate: G20 (= G8), L21 (= L9), G22 (= G10), I23 (≠ V11), M24 (= M12), N43 (= N31), R44 (= R32), T45 (= T33), K48 (= K36), M76 (≠ C65), V77 (= V66), S78 (≠ G67), D82 (= D71), Q85 (≠ E74), V86 (= V75), S107 (≠ T96), T108 (= T97), V133 (= V122), G136 (= G125), K183 (= K172), G240 (= G232), F241 (= F233), K242 (≠ A234), H245 (≠ W237), K248 (= K240), D249 (= D241)
binding sulfate ion: T134 (≠ S123), G135 (= G124), G136 (= G125), K183 (= K172), N186 (= N175), V190 (≠ I179)

5je8B The crystal structure of bacillus cereus 3-hydroxyisobutyrate dehydrogenase in complex with NAD (see paper)
33% identity, 98% coverage: 1:285/291 of query aligns to 3:288/294 of 5je8B

query
sites
5je8B

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binding nicotinamide-adenine-dinucleotide: G10 (= G8), L11 (= L9), G12 (= G10), N13 (≠ V11), M14 (= M12), D33 (≠ T33), L34 (≠ F34), S66 (≠ C65), L67 (≠ V66), P68 (≠ G67), V76 (= V75), S97 (≠ T96), T98 (= T97), V123 (= V122), G126 (= G125), L240 (≠ W237), Q274 (≠ A271), A275 (≠ M272)

2cvzC Structure of hydroxyisobutyrate dehydrogenase from thermus thermophilus hb8 (see paper)
37% identity, 91% coverage: 1:266/291 of query aligns to 1:260/289 of 2cvzC

query
sites
2cvzC

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active site: S117 (= S123), K165 (= K172), N168 (= N175), N169 (≠ Q176)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G8), L9 (= L9), G10 (= G10), A11 (≠ V11), M12 (= M12), W29 (≠ Y30), N30 (= N31), R31 (= R32), T32 (= T33), C62 (= C65), L63 (≠ V66), P64 (≠ G67), E68 (≠ D71), E71 (= E74), T90 (= T96), S91 (≠ T97), V116 (= V122), G119 (= G125), K165 (= K172), T226 (≠ G232), F227 (= F233), L231 (≠ W237), K234 (= K240), D235 (= D241)

1wp4A Structure of tt368 protein from thermus thermophilus hb8 (see paper)
37% identity, 91% coverage: 3:266/291 of query aligns to 2:259/288 of 1wp4A

query
sites
1wp4A

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active site: S116 (= S123), K164 (= K172), N167 (= N175), N168 (≠ Q176)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G7 (= G8), L8 (= L9), G9 (= G10), A10 (≠ V11), M11 (= M12), W28 (≠ Y30), N29 (= N31), R30 (= R32), T31 (= T33), K34 (= K36), C61 (= C65), L62 (≠ V66), P63 (≠ G67), E67 (≠ D71), E70 (= E74), T89 (= T96), S90 (≠ T97), V115 (= V122), G118 (= G125), T119 (≠ Q126), K164 (= K172), T225 (≠ G232), F226 (= F233), L230 (≠ W237), K233 (= K240), D234 (= D241)
binding sulfate ion: S116 (= S123), G117 (= G124), G118 (= G125), K164 (= K172), N168 (≠ Q176), F226 (= F233)

3pduA Crystal structure of gamma-hydroxybutyrate dehydrogenase from geobacter sulfurreducens in complex with NADP+ (see paper)
30% identity, 99% coverage: 1:287/291 of query aligns to 1:286/287 of 3pduA

query
sites
3pduA

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T

T

V

V

Y

W

N
|
N

R
|
R

T
x
N

F

P

A

A

K

K

A

C

Q

A

T

P

W

L

V

V

D

-

T

A

Y

L

G

G

G

A

R

R

C

Q

C

A

P

S

T

S

P

P

K

A

E

E

A

V

A

C

I

A

G

A

Q

C

D

D

I

I

V

T

F

I

T

A

C
x
M

V
x
L

G
x
A

N

D

D

P

N

A

D
x
A

L

A

R

R

E
|
E

V
|
V

V

C

L

F

G

G

D

A

D

N

G

G

V

V

I

L

H

E

G

G

M

I

A

G

L

G

G

G

T

R

V

G

L

Y

V

I

D

D

H

M

T
x
S

T
|
T

A

V

S

D

A

D

D

E

V

T

A

S

R

T

E

A

L

I

H

G

K

A

V

A

L

V

G

T

E

A

K

R

G

G

I

G

D

R

F

F

L

L

D

E

A

A

P

P

V
|
V

S

S

G
|
G

G
x
T

Q

K

A

K

G

P

A

A

E

E

N

D

G

G

V

T

L

L

T

I

V

I

M

L

V

A

G

A

G

G

E

D

Q

Q

A

S

V

L

F

F

E

T

R

D

V

A

K

G

P

P

V

A

I

F

E

A

A

A

F

L

A

G

R

K

C

K

A

C

E

L

R

H

L

L

G

G

E

E

V

V

G

G

A

Q

G

G

Q

A

L

R

T

M

K
|
K

M

L

V

V

N

V

Q

N

I

M

C

I

I

M

A

G

G

Q

V

M

Q

T

G

A

L

L

A

G

E

E

A

G

L

M

Q

A

F

L

A

G

R

R

K

N

A

C

G

G

L

L

D

D

G

G

E

G

K

Q

V

L

E

E

V

V

I

L

S

D

K

A

G

G

A

A

A

M

Q

A

S

N

W

P

Q

M

M

F

E

K

N

G

R

K

Y

G

K

Q

T

M

M

L

W

L

A

S

Q

G

N

E

Y

F

D

P

F

T

G
x
S

F
|
F

A
x
P

V

L

D

K

W
x
H

M

M

R

Q

K
|
K

D
|
D

L

L

G
x
R

I

L

A

A

L

V

E
|
E

E

L

A

G

R
x
D

R
|
R

N

L

G

G

S

Q

H

P

L

L

P

H

L

G

T

A

A

A

L

T

V

A

D

N

Q

E

F

S

Y

F

S

K

E

R

V

A

Q

R

A

A

M

A

G

G

G

H

N

A

R

D

W

E

D

D

T

F

S

A

L

V

L

F

A

R

R

V

F

L

E

E

binding glycerol: R242 (≠ G243), E246 (= E247), E246 (= E247), D249 (≠ R250), R250 (= R251)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G8), L9 (= L9), G10 (= G10), I11 (≠ V11), M12 (= M12), N31 (= N31), R32 (= R32), N33 (≠ T33), M64 (≠ C65), L65 (≠ V66), A66 (≠ G67), A70 (≠ D71), E73 (= E74), V74 (= V75), S95 (≠ T96), T96 (= T97), V121 (= V122), G123 (= G124), T124 (≠ G125), K171 (= K172), S231 (≠ G232), F232 (= F233), P233 (≠ A234), H236 (≠ W237), K239 (= K240), D240 (= D241)

2uyyA Structure of the cytokine-like nuclear factor n-pac
29% identity, 96% coverage: 3:282/291 of query aligns to 8:286/292 of 2uyyA

query
sites
2uyyA

K

K

V

I

A

G

F

F

I

L

G

G

L
|
L

G
|
G

V
x
L

M
|
M

G

G

Y

S

P

G

M

I

A

V

R

S

H

N

L

L

N

K

K

M

G

G

H

H

E

T

V

V

T

T

V

V

Y
x
W

N
|
N

R
|
R

T
|
T

F

A

A

E

K

K

A

C

Q

D

T

L

W

F

V

I

D

Q

T

E

Y

-

G

G

G

A

R

R

C

L

C

G

P

R

T

T

P

P

K

A

E

E

A

V

I

S

G

T

Q

C

D

D

I

I

V

T

F

F

T

A

C
|
C

V
|
V

G
x
S

N

D

D

P

N

K

D
x
A

L

A

R

K

E
x
D

V

L

V

V

L

L

G

G

D

P

D

S

G

G

V

V

I

L

H

Q

G

G

M

I

A

R

L

P

G

G

T

K

V

C

L

Y

V

V

D

D

H

M

T
x
S

T
|
T

A

V

S

D

A

A

D

D

V

T

A

V

R

T

E

E

L

L

H

A

K

Q

V

V

L

I

G

V

E

S

K

R

G

G

I

G

D

R

F

F

L

L

D

E

A

A

P

P

V

V

S

S

G

G

G

N

Q

Q

A

Q

G

L

A

S

E

N

N

D

G

G

V

M

L

L

T

V

V

I

M

L

V

A

G

A

G

G

E

D

Q

R

A

G

V

L

F

Y

E

E

R

D

V

C

K

S

P

S

V

C

I

F

E

Q

A

A

F

M

A

G

R

K

C

T

A

S

E

F

R

F

L

L

G

G

E

E

V

V

G

G

A

N

G

A

Q

A

L

K

T

M

K

M

M

L

V

I

N

V

Q

N

I

M

C

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I

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A

G

G

S

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M

Q

A

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I

A

A

E

E

A

G

L

L

Q

T

F

L

A

A

R

Q

K

V

A

T

G

G

L

Q

D

S

G

Q

E

Q

K

T

V

L

E

D

V

I

I

L

S

N

K

Q

G

G

A

Q

A

L

Q

A

S

S

W

I

Q

F

M

L

E

D

N

Q

R

K

Y

C

K

Q

T

N

M

I

W

L

A

Q

Q

G

N

N

Y

F

D

K

F

P

G

D

F
|
F

A
x
Y

V

L

D

K

W
x
Y

M

I

R

Q

K
|
K

D
|
D

L

L

G

R

I

L

A

A

L

I

E

A

E

L

A

G

R

D

R

A

N

V

G

N

S

H

H

P

L

T

P

P

L

M

T

A

A

A

L

A

V

A

D

N

Q

E

F

V

Y

Y

S

K

E

R

V

A

Q

K

A

A

M

L

G

D

G

Q

N

S

R

D

W

N

D

D

T

M

S

S

S

A

L

V

binding [(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2r,3s,4s)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate: L14 (= L9), G15 (= G10), L16 (≠ V11), M17 (= M12), W35 (≠ Y30), N36 (= N31), R37 (= R32), T38 (= T33), C69 (= C65), V70 (= V66), S71 (≠ G67), A75 (≠ D71), D78 (≠ E74), S100 (≠ T96), T101 (= T97), F237 (= F233), Y238 (≠ A234), Y241 (≠ W237), K244 (= K240), D245 (= D241)

Q49A26 Cytokine-like nuclear factor N-PAC; NPAC; 3-hydroxyisobutyrate dehydrogenase-like protein; Glyoxylate reductase 1 homolog; Nuclear protein NP60; Nuclear protein of 60 kDa; Nucleosome-destabilizing factor; hNDF; Putative oxidoreductase GLYR1 from Homo sapiens (Human) (see 3 papers)
29% identity, 96% coverage: 3:282/291 of query aligns to 269:547/553 of Q49A26

query
sites
Q49A26

K

K

V

I

A
x
G

F
|
F

I
x
L

G
|
G

L
|
L

G
|
G

V
x
L

M
|
M

G
|
G

Y
x
S

P
x
G

M
x
I

A
x
V

R
x
S

H
x
N

L

L

N

K

K

M

G

G

H

H

E

T

V

V

T

T

V

V

Y

W

N

N

R

R

T

T

F

A

A

E

K

K

A

C

Q

D

T

L

W

F

V

I

D

Q

T

E

Y

-

G

G

G

A

R

R

C

L

C

G

P

R

T

T

P

P

K

A

E

E

A

V

I

S

G

T

Q

C

D

D

I

I

V

T

F

F

T

A

C

C

V

V

G

S

N

D

D

P

N

K

D

A

L

A

R

K

E

D

V

L

V

V

L

L

G

G

D

P

D

S

G

G

V

V

I

L

H

Q

G

G

M

I

A

R

L

P

G

G

T

K

V

C

L

Y

V

V

D

D

H

M

T

S

T
|
T

A

V

S

D

A

A

D

D

V

T

A

V

R

T

E

E

L

L

H

A

K

Q

V

V

L

I

G

V

E

S

K

R

G

G

I

G

D

R

F

F

L

L

D

E

A

A

P

P

V

V

S

S

G

G

G

N

Q

Q

A

Q

G

L

A

S

E

N

N

D

G

G

V

M

L

L

T

V

V

I

M

L

V

A

G

A

G

G

E

D

Q

R

A

G

V

L

F

Y

E

E

R

D

V

C

K

S

P

S

V

C

I

F

E

Q

A

A

F

M

A

G

R

K

C

T

A

S

E

F

R

F

L

L

G

G

E

E

V

V

G

G

A

N

G

A

Q

A

L

K

T

M

K
x
M

M

L

V

I

N

V

Q

N

I

M

C

V

I

Q

A

G

G

S

V

F

V

M

Q

A

G

T

L

I

A

A

E

E

A

G

L

L

Q

T

F

L

A

A

R

Q

K

V

A

T

G

G

L

Q

D

S

G

Q

E

Q

K

T

V

L

E

D

V

I

I

L

S

N

K

Q

G

G

A

Q

A

L

Q

A

S

S

W

I

Q

F

M

L

E

D

N

Q

R

K

Y

C

K

Q

T

N

M

I

W

L

A

Q

Q

G

N

N

Y

F

D

K

F
x
P

G

D

F

F

A

Y

V

L

D

K

W

Y

M

I

R

Q

K
|
K

D

D

L

L

G

R

I

L

A

A

L

I

E

A

E

L

A

G

R

D

R

A

N

V

G

N

S

H

H

P

L

T

P

P

L

M

T

A

A

A

L

A

V

A

D

N

Q

E

F

V

Y

Y

S

K

E

R

V

A

Q

K

A

A

M

L

G

D

G

Q

N

S

R

D

W

N

D

D

T

M

S

S

S

A

L

V

271:285 (vs. 5:19, 40% identical) binding
T362 (= T97) binding
M437 (≠ K172) mutation to K: Loss of tetramerization and protein stability.; mutation to N: No effect on tetramerization or protein stability.
P496 (≠ F231) to L: decreased interaction with GATA4; decreased synergistic activation of GATA4 target genes transcription; detrimental effect on cardiomyocyte differentiation
K505 (= K240) binding

Sites not aligning to the query:

214 D→A: Slightly reduced stimulation of KDM1B demethylase activity, but normal KDM1B-binding.
214:217 Interaction with histone H3
216 H→A: Slightly reduced stimulation of KDM1B demethylase activity, but normal KDM1B-binding.
216:225 Interaction with KDM1B
217 Required to promote KDM1B demethylase activity toward histone H3K4me1 and H3K4me2; F→A: Abolished stimulation of KDM1B demethylase activity, reduced affinity for histone H3 of the dimer with KDM1B, but normal KDM1B-binding.
219 H→A: Impaired KDM1B-binding and abolished stimulation of KDM1B demethylase activity; when associated with A-223.
220:222 FLL→AAA: Impaired KDM1B-binding and abolished stimulation of KDM1B demethylase activity.
223 S→A: Impaired KDM1B-binding and abolished stimulation of KDM1B demethylase activity; when associated with A-219.

Q922P9 Cytokine-like nuclear factor N-PAC; NPAC; Glyoxylate reductase 1 homolog; Nuclear protein NP60; Putative oxidoreductase GLYR1 from Mus musculus (Mouse) (see paper)
29% identity, 96% coverage: 3:282/291 of query aligns to 268:540/546 of Q922P9

query
sites
Q922P9

K

K

V

I

A

G

F

F

I

L

G

G

L

L

G

G

V

L

M

M

G

G

Y

S

P

G

M

I

A

V

R

S

H

N

L

L

N

K

K

M

G

G

H

H

E

T

V

V

T

T

V

V

Y

W

N

N

R

R

T

T

F

A

A

E

K

K

A

E

Q

-

T

-

W

-

V

-

D

-

T

-

Y

-

G

G

G

A

R

R

C

L

C

G

P

R

T

T

P

P

K

A

E

E

A

V

I

S

G

T

Q

C

D

D

I

I

V

T

F

F

T

A

C

C

V

V

G

S

N

D

D

P

N

K

D

A

L

A

R

K

E

D

V

L

V

V

L

L

G

G

D

P

D

S

G

G

V

V

I

L

H

Q

G

G

M

I

A

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T

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V

C

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Y

V

V

D

D

H

M

T

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T

T

A

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S

D

A

A

D

D

V

T

A

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T

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E

L

L

H

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K

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G

G

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G

D

R

F

F

L

L

D

E

A

A

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P

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V

S

S

G

G

G

N

Q

Q

A

Q

G

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A

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E

N

N

D

G

G

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M

L

L

T

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V

I

M

L

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A

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A

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D

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A

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E

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S

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A

A

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A

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C

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A

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E

F

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F

L

L

G

G

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E

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V

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G

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N

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A

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A

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K

M

M

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N

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C

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A

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A

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E

A

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F

L

A

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A

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D

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E

Q

K

T

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L

E

D

V

I

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N

K

Q

G

G

A

Q

A

L

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A

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S

W

I

Q

F

M

L

E

D

N

Q

R

K

Y

C

K

Q

T

N

M

I

W

L

A

Q

Q

G

N

N

Y

F

D

K

F
x
P

G

D

F

F

A

Y

V

L

D

K

W

Y

M

I

R

Q

K

K

D

D

L

L

G

R

I

L

A

A

L

I

E

A

E

L

A

G

R

D

R

A

N

V

G

N

S

H

H

P

L

T

P

P

L

M

T

A

A

A

L

A

V

A

D

N

Q

E

F

V

Y

Y

S

K

E

R

V

A

Q

K

A

A

M

L

G

D

G

Q

N

S

R

D

W

N

D

D

T

M

S

S

S

A

L

V

P489 (≠ F231) mutation to L: Mutant animals are born at expected Mendelian ratios. 54% mutants display postnatal lethality between days 0 and 1. They show centricular septal defects.

2i9pB Crystal structure of human hydroxyisobutyrate dehydrogenase complexed with NAD+
31% identity, 96% coverage: 4:283/291 of query aligns to 3:288/296 of 2i9pB

query
sites
2i9pB

V

V

A

G

F

F

I
|
I

G
|
G

L
|
L

G
|
G

V
x
N

M
|
M

G

G

Y

N

P

P

M

M

A

A

R

K

H

N

L

L

L

M

N

K

K

H

G

G

H

Y

E

P

V

L

T

I

V

I

Y
|
Y

N
x
D

R

-

T
x
V

F
|
F

A

P

K

D

A

A

Q

C

T

K

W

E

V

F

D

Q

T

D

Y

A

G

G

G

E

R

Q

C

V

P

S

T

S

P

P

K

A

E

D

A

V

A

A

I

E

G

K

Q

A

D

D

I

R

V

I

F

I

T

T

C
x
M

V
x
L

G
x
P

N

T

D

S

N

I

D
x
N

L

A

R

I

E

E

V
x
A

V

Y

L

S

G

G

D

A

D

N

G

G

V

I

I

L

H

K

G

K

M

V

A

K

L

K

G

G

T

S

V

L

L

L

V

I

D

D

H

S

T
x
S

T
|
T

A

I

S

D

A

P

D

A

V

V

A

S

R

K

E

E

L

L

H

A

K

K

V

E

L

V

G

E

E

K

K

M

G

G

I

A

D

V

F

F

L

M

D

D

A

A

P

P

V
|
V

S

S

G
|
G

Q

V

A

G

G

A

A

A

E

R

N

S

G

G

V

N

L

L

T

T

V

F

M

M

V

V

G

G

E

V

Q

E

A

D

V

E

F

F

E

A

R

A

V

A

K

Q

P

E

V

L

I

L

E

G

A

C

F

M

A

G

R

S

C

N

A

V

E

V

R

Y

L

C

G

G

E

A

V

V

G

G

A

T

G

G

Q

Q

L

A

T

A

K
|
K

M

I

V

C

N

N

Q

N

I

M

C

L

I

L

A

A

G

I

V

S

V

M

Q

I

G

G

L

T

A

A

E

E

A

A

L

M

Q

N

F

L

A

G

R

I

K

R

A

L

G

G

L

L

D

D

G

P

E

K

K

L

V

L

V

A

E

K

V

I

I

L

S

N

K

M

G

S

A

S

A

G

Q

R

S

C

W

W

Q

S

M

-

E

S

N

D

R

T

Y

Y

K

N

T

P

M

V

-

P

-

G

-

V

-

M

-

D

-

G

-

V

-

P

W

S

A

A

Q

N

N

N

Y

Y

D

Q

F

G

G

G

F
|
F

A

G

V

T

D

T

W
x
L

M

M

R

A

K
|
K

D
|
D

L

L

G

G

I

L

A

A

L

Q

E

D

E

S

A

A

R

T

R

S

N

T

G

K

S

S

H

P

L

I

P

L

L

L

T

G

A

S

L

L

V

A

D

H

Q

Q

F

I

Y

Y

S

R

E

M

V

M

Q

C

A

A

M

K

G

G

G

Y

N

S

R

K

W

K

D

D

T

F

S

S

L

V

L

F

binding nicotinamide-adenine-dinucleotide: I6 (= I7), G7 (= G8), L8 (= L9), G9 (= G10), N10 (≠ V11), M11 (= M12), Y29 (= Y30), D30 (≠ N31), V31 (≠ T33), F32 (= F34), M63 (≠ C65), L64 (≠ V66), P65 (≠ G67), N69 (≠ D71), A73 (≠ V75), S94 (≠ T96), T95 (= T97), V120 (= V122), G122 (= G124), G123 (= G125), K170 (= K172), F238 (= F233), L242 (≠ W237), K245 (= K240), D246 (= D241)

P31937 3-hydroxyisobutyrate dehydrogenase, mitochondrial; HIBADH; EC 1.1.1.31 from Homo sapiens (Human) (see paper)
31% identity, 96% coverage: 4:283/291 of query aligns to 42:327/336 of P31937

query
sites
P31937

V
|
V

A
x
G

F
|
F

I
|
I

G
|
G

L
|
L

G
|
G

V
x
N

M
|
M

G
|
G

Y
x
N

P
|
P

M
|
M

A
|
A

R
x
K

H
x
N

L
|
L

L
x
M

N
x
K

K
x
H

G
|
G

H
x
Y

E
x
P

V
x
L

T
x
I

V
x
I

Y
|
Y

N

D

R

-

T

V

F

F

A

P

K

D

A

A

Q

C

T

K

W

E

V

F

D

Q

T

D

Y

A

G

G

G

E

R

Q

C

V

P

S

T

S

P

P

K

A

E

D

A

V

A

A

I

E

G

K

Q

A

D

D

I

R

V

I

F

I

T

T

C

M

V
x
L

G
x
P

N

T

D

S

N

I

D
x
N

L

A

R

I

E

E

V

A

V

Y

L

S

G

G

D

A

D

N

G

G

V

I

I

L

H

K

G

K

M

V

A

K

L

K

G

G

T

S

V

L

L

L

V

I

D

D

H

S

T

S

T
|
T

A

I

S

D

A

P

D

A

V

V

A

S

R

K

E

E

L

L

H

A

K

K

V

E

L

V

G

E

E

K

K

M

G

G

I

A

D

V

F

F

L

M

D

D

A

A

P

P

V

V

S

S

G

G

Q

V

A

G

G

A

A

A

E

R

N

S

G

G

V

N

L

L

T

T

V

F

M

M

V

V

G

G

E

V

Q

E

A

D

V

E

F

F

E

A

R

A

V

A

K

Q

P

E

V

L

I

L

E

G

A

C

F

M

A

G

R

S

C

N

A

V

E

V

R

Y

L

C

G

G

E

A

V

V

G

G

A

T

G

G

Q

Q

L

A

T

A

K

K

M

I

V

C

N

N

Q

N

I

M

C

L

I

L

A

A

G

I

V

S

V

M

Q

I

G

G

L

T

A

A

E

E

A

A

L

M

Q

N

F

L

A

G

R

I

K

R

A

L

G

G

L

L

D

D

G

P

E

K

K

L

V

L

V

A

E

K

V

I

I

L

S

N

K

M

G

S

A

S

A

G

Q

R

S

C

W

W

Q

S

M

-

E

S

N

D

R

T

Y

Y

K

N

T

P

M

V

-

P

-

G

-

V

-

M

-

D

-

G

-

V

-

P

W

S

A

A

Q

N

N

N

Y

Y

D

Q

F

G

G

G

F

F

A

G

V

T

D

T

W

L

M

M

R

A

K
|
K

D

D

L

L

G

G

I

L

A

A

L

Q

E

D

E

S

A

A

R

T

R

S

N

T

G

K

S

S

H

P

L

I

P

L

L

L

T

G

A

S

L

L

V

A

D

H

Q

Q

F

I

Y

Y

S

R

E

M

V

M

Q

C

A

A

M

K

G

G

G

Y

N

S

R

K

W

K

D

D

T

F

S

S

L

V

L

F

LP 103:104 (≠ VG 66:67) binding
N108 (≠ D71) binding
T134 (= T97) binding
K284 (= K240) binding

Sites not aligning to the query:

1:36 modified: transit peptide, Mitochondrion
40:68 binding

P29266 3-hydroxyisobutyrate dehydrogenase, mitochondrial; HIBADH; EC 1.1.1.31 from Rattus norvegicus (Rat) (see paper)
30% identity, 96% coverage: 4:283/291 of query aligns to 41:326/335 of P29266

query
sites
P29266

V

V

A

G

F

F

I

I

G

G

L

L

G

G

V

N

M

M

G

G

Y

N

P

P

M

M

A

A

R

K

H

N

L

L

L

I

N

K

K

H

G

G

H

Y

E

P

V

L

T

I

V

L

Y

Y

N
x
D

R

-

T

V

F

F

A

P

K

D

A

V

Q

C

T

K

W

E

V

F

D

K

T

E

Y

A

G

G

G

E

R

Q

C

V

C

A

P

S

T

S

P

P

K

A

E

D

A

V

A

A

I

E

G

K

Q

A

D

D

I

R

V

I

F

I

T

T

C

M

V

L

G

P

N

S

D

S

N

M

D

N

L

S

R

I

E

E

V

V

V

Y

L

S

G

G

D

A

D

N

G

G

V

I

I

L

H

K

G

K

M

V

A

K

L

K

G

G

T

S

V

L

L

L

V

I

D

D

H

S

T

S

T

T

A

I

S

D

A

P

D

S

V

V

A

S

R

K

E

E

L

L

H

A

K

K

V

E

L

V

G

E

E

K

K

M

G

G

I

A

D

V

F

F

L

M

D

D

A

A

P

P

V

V

S

S

G

G

Q

V

A

G

G

A

A

A

E

R

N

S

G

G

V

N

L

L

T

T

V

F

M

M

V

V

G

G

E

V

Q

E

A

N

V

E

F

F

E

A

R

A

V

A

K

Q

P

E

V

L

I

L

E

G

A

C

F

M

A

G

R

S

C

N

A

V

E

L

R

Y

L

C

G

G

E

A

V

V

G

G

A

S

G

G

Q

Q

L

S

T

A

K
|
K

M

I

V

C

N

N

Q
x
N

I

M

C

L

I

L

A

A

G

I

V

S

V

M

Q

I

G

G

L

T

A

A

E

E

A

A

L

M

Q

N

F

L

A

G

R

I

K

R

A

S

G

G

L

L

D

D

G

P

E

K

K

L

V

L

V

A

E

K

V

I

I

L

S

N

K

M

G

S

A

S

A

G

Q

R

S

C

W

W

Q

S

M

-

E

S

N

D

R

T

Y

Y

K

N

T

P

M

V

-

P

-

G

-

V

-

M

-

D

-

G

-

V

-

P

W

S

A

S

Q

N

N

N

Y

Y

D

Q

F

G

G

G

F

F

A

G

V

T

D

T

W

L

M

M

R

A

K

K

D

D

L

L

G

G

I

L

A

A

L

Q

E

D

E

S

A

A

R

T

R

S

N

T

G

K

S

T

H

P

L

I

P

L

L

L

T

G

A

S

L

V

V

A

D

H

Q

Q

F

I

Y

Y

S

R

E

M

V

M

Q

C

A

S

M

K

G

G

G

Y

N

S

R

K

W

K

D

D

T

F

S

S

L

V

L

F

D68 (≠ N31) mutation to R: Decrease of activity with NAD, increase of activity with NADP.
K208 (= K172) mutation K->A,H,N,R: Complete loss of activity.
N212 (≠ Q176) mutation to Q: Decrease in activity.

3pefA Crystal structure of gamma-hydroxybutyrate dehydrogenase from geobacter metallireducens in complex with NADP+ (see paper)
29% identity, 98% coverage: 3:288/291 of query aligns to 3:287/287 of 3pefA

query
sites
3pefA

K

K

V

F

A

G

F

F

I

I

G
|
G

L
|
L

G
|
G

V
x
I

M
|
M

G

G

Y

S

P

A

M

M

A

A

R

K

H

N

L

L

L

V

N

K

K

A

G

G

H

C

E

S

V

V

T

T

V

I

Y

W

N
|
N

R
|
R

T
x
S

F

P

A

E

K
|
K

A

A

Q

E

T

E

W

L

V

A

D

-

T

A

Y

L

G

G

G

A

R

E

C

R

C

A

P

A

T

T

P

P

K

C

E

E

A

V

I

E

G

S

Q

C

D

P

I

V

V

T

F

F

T

A

C
x
M

V
x
L

G
x
A

N
x
D

D

P

N

A

D
x
A

L

A

R

E

E
|
E

V
|
V

V

C

L

F

G

G

D

K

D

H

G

G

V

V

I

L

H

E

G

G

M

I

A

G

L

E

G

G

T

R

V

G

L

Y

V

V

D

D

H

M

T
x
S

T
|
T

A

V

S

D

A

P

D

A

V

T

A

S

R

Q

E

R

L

I

H

G

K

V

V

A

L

V

G

V

E

A

K

K

G

G

I

G

D

R

F

F

L

L

D

E

A

A

P

P

V
|
V

S

S

G
|
G

G
x
S

Q

K

A

K

G

P

A

A

E

E

N

D

G

G

V

T

L

L

T

I

V

I

M

L

V

A

G

A

G

G

E

D

Q

R

A

N

V

L

F

Y

E

D

R

E

V

A

K

M

P

P

V

G

I

F

E

E

A

K

F

M

A

G

R

K

C

K

A

I

E

I

R

H

L

L

G

G

E

D

V

V

G

G

A

K

G

G

Q

A

L

E

T

M

K
|
K

M

L

V

V

N

V

Q
x
N

I

M

C

V

I
x
M

A

G

G

G

V

M

Q

A

G

C

L

F

A

C

E

E

A

G

L

L

Q

A

F

L

A

G

R

E

K

K

A

A

G

G

L

L

D

A

G

T

E

D

K

A

V

I

V
x
L

E

D

V

V

I

I

S
x
G

K

A

G

G

A

A

A

M

Q
x
A

S
x
N

W

P

Q

M

M
x
F

E
x
A

N

L

R

K

Y

G

K

G

T

L

M

I

W

R

A

D

Q

R

N

N

Y

F

D

A

F

P

G
x
A

F
|
F

A
x
P

V

L

D
x
K

W
x
H

M

M

R

Q

K
|
K

D

D

L

L

G
x
R

I

L

A

A

L

V

E

A

E

L

A

G

R

D

R

R

N

V

G

G

S

Q

H

P

L

L

P

V

L

A

T

S

A

A

L

A

V

A

D

N

Q

E

F

L

Y

F

S

K

E

G

V

A

Q
x
R

A

A

M

A

G

G

G

F

N

G

R

D

W

E

D

D

T

F

S

S

S

A

L

I

L

F

A

K

R

T

F

Y

E

E

K

R

binding glycerol: D67 (≠ N68), G123 (= G124), S124 (≠ G125), K171 (= K172), N175 (≠ Q176), M178 (≠ I179), L203 (≠ V204), G207 (≠ S208), A212 (≠ Q213), N213 (≠ S214), F216 (≠ M217), A217 (≠ E218), F232 (= F233), K235 (≠ D236), H236 (≠ W237), K239 (= K240), R242 (≠ G243), R269 (≠ Q270)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G8), L9 (= L9), G10 (= G10), I11 (≠ V11), M12 (= M12), N31 (= N31), R32 (= R32), S33 (≠ T33), K36 (= K36), M64 (≠ C65), L65 (≠ V66), A66 (≠ G67), A70 (≠ D71), E73 (= E74), V74 (= V75), S95 (≠ T96), T96 (= T97), V121 (= V122), G123 (= G124), S124 (≠ G125), K171 (= K172), A231 (≠ G232), F232 (= F233), P233 (≠ A234), H236 (≠ W237), K239 (= K240)

P0A9V8 3-sulfolactaldehyde reductase; SLA reductase; 4-hydroxybutyrate dehydrogenase; Gamma-hydroxybutyrate dehydrogenase; GHBDH; Succinic semialdehyde reductase; SSA reductase; EC 1.1.1.373; EC 1.1.1.61 from Escherichia coli (strain K12)
31% identity, 97% coverage: 1:283/291 of query aligns to 1:283/298 of P0A9V8

query
sites
P0A9V8

M

M

A

A

K

A

V

I

A

A

F

F

I

I

G

G

L

L

G

G

V
x
Q

M
|
M

G

G

Y

S

P

P

M

M

A

A

R

S

H

N

L

L

N

Q

K

Q

G

G

H

H

E

Q

V

L

T

R

V

V

Y

F

N
x
D

R

V

T

N

F

A

A

E

K

A

A

V

Q

R

T

H

W

L

V

V

D

D

T

K

Y

-

G

G

G

A

R

T

C

P

C

A

P

A

T

N

P

P

K

A

E

Q

A

A

I

K

G

D

Q

A

D

E

I

F

V

I

F

I

T

T

C

M

V
x
L

G

P

N

N

D

G

N

D

D

L

L

V

R

R

E

N

V

V

V

L

L

F

G

G

D

E

D

N

G

G

V

V

I

C

H

E

G

G

M

L

A

S

L

T

G

D

T

A

V

L

L

V

V

I

D

D

H

M

T

S

T
|
T

A

I

S

H

A

P

D

L

V

Q

A

T

R

D

E

K

L

L

H

I

K

A

V

D

L

M

G

Q

E

A

K

K

G

G

I

F

D

S

F

M

L

M

D

D

A

V

P

P

V

V

S
x
G

G
x
R

G
x
T

Q

S

A

A

G

N

A

A

E

I

N

T

G

G

V

T

L

L

T

L

V

L

M

L

V

A

G

G

E

T

Q

A

A

E

V

Q

F

V

E

E

R

R

V

A

K

T

P

P

V

I

I

L

E

M

A

A

F

M

A

G

R

S

C

E

A

L

E

I

R

N

L

A

G

G

E

G

V

P

G

G

A

M

G

G

Q

I

L

R

T

V

K

K

M

L

V

I

N
|
N

Q
x
N

I
x
Y

C
x
M

I
x
S

A

I

G

A

V

L

V

N

Q

A

G

L

L

S

A

A

E

E

A

A

L

A

Q

V

F

L

A

C

R

E

K

A

A

L

G

N

L

L

D

P

G

F

E

D

K

V

V

A

V

V

E

K

V

V

I

M

S

S

K

G

G

T

A

A

Q

G

S

-

W

-

Q

-

M

-

E

K

N

G

R

H

Y

F

K

T

T

T

M

S

W

W

A

P

Q

N

N

K

Y

V

D

L

F

S

G

G

-

D

-

L

-

S

-

P

-

A

F

F

A

M

V

I

D

D

W

L

M

A

R

H

K
|
K

D

D

L

L

G

G

I

I

A

A

L

L

E

D

E

V

A

A

R

N

R

Q

N

L

G

H

S

V

H

P

L

M

P

P

L

L

T

G

A

A

L

A

V

S

D

R

Q

E

F

V

Y

Y

S

S

E

Q

V

A

Q

R

A

A

M

A

G

G

G

R

N

G

R

R

W

Q

D

D

T

W

S

S

S

A

L

I

L

L

QM 11:12 (≠ VM 11:12) binding
D31 (≠ N31) binding
L65 (≠ V66) binding
T96 (= T97) binding
G122 (≠ S123) mutation to S: 25-fold decrease in catalytic efficiency with SLA as substrate. 5-fold decrease in catalytic efficiency with NADH as substrate.
R123 (≠ G124) binding ; mutation to G: 130-fold decrease in catalytic efficiency with SLA as substrate. 3-fold decrease in catalytic efficiency with NADH as substrate.
T124 (≠ G125) mutation to G: 230-fold decrease in catalytic efficiency with SLA as substrate. 12-fold decrease in catalytic efficiency with NADH as substrate.
NNYMS 174:178 (≠ NQICI 175:179) binding
K240 (= K240) binding

6smyA Crystal structure of sla reductase yihu from e. Coli with nadh and product dhps
30% identity, 97% coverage: 2:283/291 of query aligns to 1:282/294 of 6smyA

query
sites
6smyA

A

A

K

A

V

I

A

A

F

F

I

I

G

G

L

L

G

G

V

Q

M

M

G

G

Y

S

P

P

M

M

A

A

R

S

H

N

L

L

N

Q

K

Q

G

G

H

H

E

Q

V

L

T

R

V

V

Y

F

N

D

R

V

T

N

F

A

A

E

K

A

A

V

Q

R

T

H

W

L

V

V

D

D

T

K

Y

-

G

G

G

A

R

T

C

P

C

A

P

A

T

N

P

P

K

A

E

Q

A

A

I

K

G

D

Q

A

D

E

I

F

V

I

F

I

T

T

C

M

V

L

G

P

N

N

D

G

N

D

D

L

L

V

R

R

E

N

V

V

V

L

L

F

G

G

D

E

D

N

G

G

V

V

I

C

H

E

G

G

M

L

A

S

L

T

G

D

T

A

V

L

L

V

V

I

D

D

H

M

T

S

T

T

A

I

S

H

A

P

D

L

V

Q

A

T

R

D

E

K

L

L

H

I

K

A

V

D

L

M

G

Q

E

A

K

K

G

G

I

F

D

S

F

M

L

M

D

D

A

V

P

P

V

V

S

G

G

R

G

T

Q

S

A

A

G

N

A

A

E

I

N

T

G

G

V

T

L

L

T

L

V

L

M

L

V

A

G

G

E

T

Q

A

A

E

V

Q

F

V

E

E

R

R

V

A

K

T

P

P

V

I