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, 93% coverage: 4:276/294 of query aligns to 16:285/293 of 3ws7A

query
sites
3ws7A

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binding nadp nicotinamide-adenine-dinucleotide phosphate: G20 (= G8), L21 (= L9), G22 (= G10), I23 (= I11), M24 (= M12), N43 (≠ K31), R44 (≠ F32), T45 (≠ F33), K48 (≠ P36), M76 (= M64), V77 (≠ L65), S78 (≠ P66), D82 (≠ E70), Q85 (≠ D73), V133 (= V121), F241 (= F232), K242 (≠ R233), H245 (≠ L236), K248 (= K239)
binding sulfate ion: T134 (≠ S122), G135 (= G123), K183 (= K171)

2i9pB Crystal structure of human hydroxyisobutyrate dehydrogenase complexed with NAD+
32% identity, 97% coverage: 4:287/294 of query aligns to 3:293/296 of 2i9pB

query
sites
2i9pB

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binding nicotinamide-adenine-dinucleotide: G9 (= G10), N10 (≠ I11), M11 (= M12), Y29 (≠ S30), D30 (≠ K31), V31 (≠ F32), M63 (= M64), L64 (= L65), P65 (= P66), T95 (≠ S96), V120 (= V121), G122 (= G123), F238 (= F232), K245 (= K239)

P31937 3-hydroxyisobutyrate dehydrogenase, mitochondrial; HIBADH; EC 1.1.1.31 from Homo sapiens (Human) (see paper)
32% identity, 96% coverage: 4:286/294 of query aligns to 42:331/336 of P31937

query
sites
P31937

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LP 103:104 (= LP 65:66) binding NAD(+)
N108 (≠ E70) binding NAD(+)
T134 (≠ S96) binding NAD(+)
K284 (= K239) binding NAD(+)

Sites not aligning to the query:

1:36 modified: transit peptide, Mitochondrion
40:68 binding NAD(+)

3pefA Crystal structure of gamma-hydroxybutyrate dehydrogenase from geobacter metallireducens in complex with NADP+ (see paper)
32% identity, 97% coverage: 4:287/294 of query aligns to 4:287/287 of 3pefA

query
sites
3pefA

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binding glycerol: D67 (= D67), G123 (= G123), K171 (= K171), N175 (≠ Q175), M178 (≠ V178), L203 (≠ R203), G207 (≠ M207), N213 (≠ S213), A217 (≠ E217), F232 (= F232), H236 (≠ L236), K239 (= K239), R242 (≠ N242), R269 (≠ A269)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G10 (= G10), I11 (= I11), M12 (= M12), N31 (≠ K31), R32 (≠ F32), S33 (≠ F33), K36 (≠ P36), M64 (= M64), L65 (= L65), A66 (≠ P66), A70 (≠ E70), E73 (≠ D73), T96 (≠ S96), V121 (= V121), G123 (= G123), S124 (≠ G124), A231 (≠ G231), F232 (= F232), H236 (≠ L236), K239 (= K239)

P29266 3-hydroxyisobutyrate dehydrogenase, mitochondrial; HIBADH; EC 1.1.1.31 from Rattus norvegicus (Rat) (see paper)
32% identity, 96% coverage: 4:286/294 of query aligns to 41:330/335 of P29266

query
sites
P29266

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G

T

N

P

P

M

M

A

A

R

K

H

N

L

L

Q

I

D

K

A

H

G

G

H

Y

D

P

V

L

S

I

T

L

S

Y

K
x
D

F

V

F

F

I

P

A

D

P

V

K

C

Q

K

E

E

L

F

I

K

D

E

N

A

G

G

L

E

K

Q

I

V

V

A

E

S

S

S

P

P

K

A

A

D

L

V

A

A

E

E

K

K

T

A

D

D

I

R

I

I

L

T

M

M

L

L

P

P

D

S

T

S

P

M

E

N

V

S

K

I

D

E

V

V

L

Y

F

S

G

G

E

A

N

N

G

G

V

I

V

L

F

K

G

K

L

V

K

K

P

K

G

G

K

S

L

L

V

L

I

I

D

D

M

S

S

S

S

T

I

I

S

D

P

P

I

S

D

V

T

S

K

K

E

E

F

L

A

A

R

K

K

E

V

V

R

E

E

K

T

M

G

G

S

A

E

V

Y

F

I

M

D

D

A

A

P

P

V

V

S

S

G

G

E

V

V

G

G

A

A

A

K

R

N

S

A

G

S

N

L

L

S

T

I

F

M

M

A

V

G

G

T

V

Q

E

S

N

A

E

F

F

D

A

R

A

A

A

L

Q

P

E

L

L

F

L

K

G

L

C

M

M

G

G

K

S

N

N

I

V

T

L

L

Y

V

C

G

G

D

A

C

V

G

G

D

S

G

G

Q

Q

V

S

T

A

K
|
K

V

I

A

C

N

N

Q
x
N

I

M

I

L

V

L

A

A

L

I

T

S

I

M

E

I

A

G

I

T

S

A

E

E

A

A

L

M

V

N

L

L

A

G

S

I

K

R

A

S

G

G

A

L

N

D

P

P

A

K

R

L

V

L

R

A

E

K

A

I

L

L

M

-

G

-

G

N

F

M

A

S

S

S

S

G

R

R

I

C

L

W

E

S

L

S

H

D

G

T

D

Y

R

N

M

P

I

V

-

P

-

G

-

V

-

M

-

D

-

G

-

V

-

P

-

S

K

S

R

N

T

N

F

Y

E

Q

P

G

G

G

F

F

R

G

I

T

S

T

L

L

H

M

Q

A

K

K

D

D

L

L

N

G

L

L

A

A

L

Q

Q

D

S

S

A

A

K

T

T

S

L

T

G

K

V

T

S

P

L

I

P

L

N

L

T

G

A

S

S

V

T

A

Q

H

E

Q

L

I

F

Y

N

R

S

M

C

M

A

C

A

S

N

K

G

G

E

Y

S

S

G

K

L

K

D

D

H

F

S

S

G

S

L

V

V

F

R

Q

A

Y

L

L

E

R

D68 (≠ K31) mutation to R: Decrease of activity with NAD, increase of activity with NADP.
K208 (= K171) mutation K->A,H,N,R: Complete loss of activity.
N212 (≠ Q175) mutation to Q: Decrease in activity.

3pduA Crystal structure of gamma-hydroxybutyrate dehydrogenase from geobacter sulfurreducens in complex with NADP+ (see paper)
33% identity, 97% coverage: 1:286/294 of query aligns to 1:286/287 of 3pduA

query
sites
3pduA

M

M

A

T

D

T

I

Y

G

G

F

F

I

L

G
|
G

L

L

G
|
G

I
|
I

M
|
M

G

G

T

G

P

P

M

M

A

A

R

A

H

N

L

L

Q

V

D

R

A

A

G

G

H

F

D

D

V

V

S

T

T

V

S

W

K
x
N

F
x
R

F
x
N

I

P

A

A

P

K

K

C

Q

A

E

P

L

L

I

V

D

A

N

L

G

G

L

A

K

R

I

Q

V

A

E

S

S

S

P

P

K

A

A

E

L

V

A

C

E

A

K

A

T

C

D

D

I

I

I

T

I

I

L

A

M
|
M

L
|
L

P
x
A

D

D

T

P

P

A

E
x
A

V

A

K

R

D

E

V

V

L

C

F

F

G

G

E

A

N

N

G

G

V

V

V

L

F

E

G

G

L

I

K

G

P

G

G

G

K

R

L

G

V

Y

I

I

D

D

M

M

S

S

S
x
T

I

V

S

D

P

D

I

E

D

T

T

S

K

T

E

A

F

I

A

G

R

A

K

A

V

V

R

T

E

A

T

R

G

G

S

G

E

R

Y

F

I

L

D

E

A

A

P

P

V
|
V

S

S

G
|
G

G
x
T

E

K

V

K

G

P

A

A

K

E

N

D

A

G

S

T

L

L

S

I

I

I

M

L

A

A

G

A

G

G

T

D

Q

Q

S

S

A

L

F

F

D

T

R

D

A

A

L

G

P

P

L

A

F

F

K

A

L

A

M

L

G

G

K

K

N

K

I

C

T

L

L

H

V

L

G

G

D

E

C

V

G

G

D

Q

G

G

Q

A

V

R

T

M

K
|
K

V

L

A

V

N

V

Q

N

I

M

I

I

V

M

A

G

L

Q

T

M

I

M

E

T

A

A

I

L

S

G

E

E

A

G

L

M

V

A

L

L

A

G

S

R

K

N

A

C

G

G

A

L

N

D

P

G

A

G

R

Q

V

L

R

L

E

E

A

V

L

L

M

D

G

A

G

G

F

A

A

M

S

A

S

N

R

P

I

M

L

F

E

K

L

G

H

K

G

G

D

Q

R

M

M

L

I

L

K

S

R

G

T

E

F

F

E

P

P

T

G
x
S

F
|
F

R
x
P

I

L

S

K

L
x
H

H

M

Q

Q

K
|
K

D

D

L

L

N
x
R

L

L

A

A

L

V

Q
x
E

S

L

A

G

K

D

T
x
R

L

L

G

G

V

Q

S

P

L

L

P

H

N

G

T

A

A

A

S

T

T

A

Q

N

E

E

L

S

F

F

N

K

S

R

C

A

A

R

A

A

N

A

G

G

E

H

S

A

G

D

L

E

D

D

H

F

S

A

G

A

L

V

V

F

R

R

A

V

L

L

E

E

binding glycerol: R242 (≠ N242), E246 (≠ Q246), E246 (≠ Q246), R250 (≠ T250)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G8), G10 (= G10), I11 (= I11), M12 (= M12), N31 (≠ K31), R32 (≠ F32), N33 (≠ F33), M64 (= M64), L65 (= L65), A66 (≠ P66), A70 (≠ E70), T96 (≠ S96), V121 (= V121), G123 (= G123), T124 (≠ G124), K171 (= K171), S231 (≠ G231), F232 (= F232), P233 (≠ R233), H236 (≠ L236), K239 (= K239)

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)
33% identity, 96% coverage: 1:282/294 of query aligns to 1:283/298 of P0A9V8

query
sites
P0A9V8

M

M

A

A

D

A

I

I

G

A

F

F

I

I

G

G

L

L

G

G

I
x
Q

M
|
M

G

G

T

S

P

P

M

M

A

A

R

S

H

N

L

L

Q

L

D

Q

A

Q

G

G

H

H

D

Q

V

L

S

R

T

V

S

F

K
x
D

F

V

F

N

I

A

A

E

P

A

K

V

Q

R

E

H

L

L

I

V

D

D

N

K

G

G

L

A

K

T

I

P

V

A

E

A

S

N

P

P

K

A

A

Q

L

A

A

A

E

K

K

D

T

A

D

E

I

F

I

I

L

T

M

M

L
|
L

P

P

D

N

T

G

P

D

E

L

V

V

K

R

D

N

V

V

L

L

F

F

G

G

E

E

N

N

G

G

V

V

V

C

F

E

G

G

L

L

K

S

P

T

G

D

K

A

L

L

V

V

I

I

D

D

M

M

S

S

S
x
T

I

I

S

H

P

P

I

L

D

Q

T

T

K

D

E

K

F

L

A

I

R

A

K

D

V

M

R

Q

E

A

T

K

G

G

S

F

E

S

Y

M

I

M

D

D

A

V

P

P

V

V

S
x
G

G
x
R

G
x
T

E

S

V

A

G

N

A

A

K

I

N

T

A

G

S

T

L

L

S

L

I

L

M

L

A

A

G

G

T

T

Q

A

S

E

A

Q

F

V

D

E

R

R

A

A

L

T

P

P

L

I

F

L

K

M

L

A

M

M

G

G

K

S

N

E

I

L

T

I

L

N

V

A

G

G

D

G

C

P

G

G

D

M

G

G

Q

I

V

R

T

V

K

K

V

L

A

I

N
|
N

Q
x
N

I
x
Y

I
x
M

V

-

A
x
S

L

I

T

A

I

L

E

N

A

A

I

L

S

S

E

A

A

E

L

A

V

A

L

V

A

L

S

C

K

E

A

A

G

L

A

N

N

L

P

P

A

F

R

D

V

V

R

A

E

V

A

K

L

V

M

M

G

S

G

G

F

T

A

A

S

A

S

G

R

K

-

G

-

H

I

F

L

T

E

T

L

S

H

W

G

P

D

N

R

K

M

V

I

L

K

S

R

G

T

D

F

L

E

S

P

P

G

A

F

F

R

M

I

I

S

D

L

L

H

A

Q

H

K
|
K

D

D

L

L

N

G

L

I

A

A

L

L

Q

D

S

V

A

A

K

N

T

Q

L

L

G

H

V

V

S

P

L

M

P

P

N

L

T

G

A

A

S

A

T

S

Q

R

E

E

L

V

F

Y

N

S

S

Q

C

A

A

R

A

A

N

A

G

G

E

R

S

G

G

R

L

Q

D

D

H

W

S

S

G

A

L

I

V

L

QM 11:12 (≠ IM 11:12) binding NAD(+)
D31 (≠ K31) binding NAD(+)
L65 (= L65) binding NAD(+)
T96 (≠ S96) binding NAD(+)
G122 (≠ S122) mutation to S: 25-fold decrease in catalytic efficiency with SLA as substrate. 5-fold decrease in catalytic efficiency with NADH as substrate.
R123 (≠ G123) binding 2,3-dihydroxypropane-1-sulfonate; mutation to G: 130-fold decrease in catalytic efficiency with SLA as substrate. 3-fold decrease in catalytic efficiency with NADH as substrate.
T124 (≠ G124) mutation to G: 230-fold decrease in catalytic efficiency with SLA as substrate. 12-fold decrease in catalytic efficiency with NADH as substrate.
NNYM-S 174:178 (≠ NQIIVA 174:179) binding 2,3-dihydroxypropane-1-sulfonate
K240 (= K239) binding NAD(+)

6smzC Crystal structure of sla reductase yihu from e. Coli in complex with nadh
33% identity, 96% coverage: 2:282/294 of query aligns to 1:282/295 of 6smzC

query
sites
6smzC

A

A

D

A

I

I

G

A

F

F

I

I

G

G

L

L

G
|
G

I
x
Q

M
|
M

G

G

T

S

P

P

M

M

A

A

R

S

H

N

L

L

Q

L

D

Q

A

Q

G

G

H

H

D

Q

V

L

S

R

T

V

S
x
F

K
x
D

F
x
V

F

N

I

A

A

E

P

A

K

V

Q

R

E

H

L

L

I

V

D

D

N

K

G

G

L

A

K

T

I

P

V

A

E

A

S

N

P

P

K

A

A

Q

L

A

A

A

E

K

K

D

T

A

D

E

I

F

I

I

L

T

M
|
M

L
|
L

P

P

D

N

T

G

P

D

E

L

V

V

K

R

D

N

V
|
V

L

L

F

F

G

G

E

E

N

N

G

G

V

V

V

C

F

E

G

G

L

L

K

S

P

T

G

D

K

A

L

L

V

V

I

I

D

D

M

M

S
|
S

S
x
T

I

I

S

H

P

P

I

L

D

Q

T

T

K

D

E

K

F

L

A

I

R

A

K

D

V

M

R

Q

E

A

T

K

G

G

S

F

E

S

Y

M

I

M

D

D

A

V

P

P

V

V

S

G

G
x
R

G

T

E

S

V

A

G

N

A

A

K

I

N

T

A

G

S

T

L

L

S

L

I

L

M

L

A

A

G

G

T

T

Q

A

S

E

A

Q

F

V

D

E

R

R

A

A

L

T

P

P

L

I

F

L

K

M

L

A

M

M

G

G

K

S

N

E

I

L

T

I

L

N

V

A

G

G

D

G

C

P

G

G

D

M

G

G

Q

I

V

R

T

V

K

K

V

L

A

I

N

N

Q

N

I

Y

I

M

V

-

A

S

L

I

T

A

I

L

E

N

A

A

I

L

S

S

E

A

A

E

L

A

V

A

L

V

A

L

S

C

K

E

A

A

G

L

A

N

N

L

P

P

A

F

R

D

V

V

R

A

E

V

A

K

L

V

M

M

G

S

G

G

F

T

A

A

S

A

S

G

R

K

-

G

-

H

I

F

L

T

E

T

L

S

H

W

G

P

D

N

R

K

M

V

I

L

K

S

R

G

T

D

F

L

E

S

P

P

G

A

F

F

R

M

I

I

S

D

L

L

H

A

Q

H

K

K

D

D

L

L

N

G

L

I

A

A

L

L

Q

D

S

V

A

A

K

N

T

Q

L

L

G

H

V

V

S

P

L

M

P

P

N

L

T

G

A

A

S

A

T

S

Q

R

E

E

L

V

F

Y

N

S

S

Q

C

A

A

R

A

A

N

A

G

G

E

R

S

G

G

R

L

Q

D

D

H

W

S

S

G

A

L

I

V

L

binding nicotinamide-adenine-dinucleotide: G9 (= G10), Q10 (≠ I11), M11 (= M12), F29 (≠ S30), D30 (≠ K31), V31 (≠ F32), M63 (= M64), L64 (= L65), V73 (= V74), S94 (= S95), T95 (≠ S96), R122 (≠ G123)

6smyA Crystal structure of sla reductase yihu from e. Coli with nadh and product dhps
33% identity, 96% coverage: 2:282/294 of query aligns to 1:282/294 of 6smyA

query
sites
6smyA

A

A

D

A

I

I

G

A

F

F

I

I

G

G

L

L

G

G

I

Q

M

M

G

G

T

S

P

P

M

M

A

A

R

S

H

N

L

L

Q

L

D

Q

A

Q

G

G

H

H

D

Q

V

L

S

R

T

V

S

F

K

D

F

V

F

N

I

A

A

E

P

A

K

V

Q

R

E

H

L

L

I

V

D

D

N

K

G

G

L

A

K

T

I

P

V

A

E

A

S

N

P

P

K

A

A

Q

L

A

A

A

E

K

K

D

T

A

D

E

I

F

I

I

L

T

M

M

L

L

P

P

D

N

T

G

P

D

E

L

V

V

K

R

D

N

V

V

L

L

F

F

G

G

E

E

N

N

G

G

V

V

V

C

F

E

G

G

L

L

K

S

P

T

G

D

K

A

L

L

V

V

I

I

D

D

M

M

S

S

S

T

I

I

S

H

P

P

I

L

D

Q

T

T

K

D

E

K

F

L

A

I

R

A

K

D

V

M

R

Q

E

A

T

K

G

G

S

F

E

S

Y

M

I

M

D

D

A

V

P

P

V

V

S

G

G

R

G

T

E

S

V

A

G

N

A

A

K

I

N

T

A

G

S

T

L

L

S

L

I

L

M

L

A

A

G

G

T

T

Q

A

S

E

A

Q

F

V

D

E

R

R

A

A

L

T

P

P

L

I

F

L

K

M

L

A

M

M

G

G

K

S

N

E

I

L

T

I

L

N

V

A

G

G

D

G

C

P

G

G

D

M

G

G

Q

I

V

R

T

V

K

K

V

L

A

I

N

N

Q

N

I

Y

I

M

V

-

A

S

L

I

T

A

I

L

E

N

A

A

I

L

S

S

E

A

A

E

L

A

V

A

L

V

A

L

S

C

K

E

A

A

G

L

A

N

N

L

P

P

A

F

R

D

V

V

R

A

E

V

A

K

L

V

M

M

G

S

G

G

F

T

A

A

S

A

S

G

R

K

-

G

-

H

I

F

L

T

E

T

L

S

H

W

G

P

D

N

R

K

M

V

I

L

K

S

R

G

T

D

F

L

E

S

P

P

G

A

F
|
F

R

M

I

I

S

D

L

L

H

A

Q

H

K

K

D

D

L

L

N

G

L

I

A

A

L

L

Q

D

S

V

A

A

K

N

T

Q

L

L

G

H

V

V

S

P

L

M

P

P

N

L

T

G

A

A

S

A

T

S

Q

R

E

E

L

V

F

Y

N

S

S

Q

C

A

A

R

A

A

N

A

G

G

E

R

S

G

G

R

L

Q

D

D

H
x
W

S

S

G

A

L

I

V

L

binding (2~{S})-2,3-bis(oxidanyl)propane-1-sulfonic acid: F232 (= F232), W278 (≠ H278)

5je8B The crystal structure of bacillus cereus 3-hydroxyisobutyrate dehydrogenase in complex with NAD (see paper)
30% identity, 97% coverage: 1:285/294 of query aligns to 3:289/294 of 5je8B

query
sites
5je8B

M

M

A

K

D

K

I

I

G

G

F

F

I

I

G

G

L

L

G
|
G

I
x
N

M
|
M

G

G

T

L

P

P

M

M

A

S

R

K

H

N

L

L

Q

V

D

K

A

S

G

G

H

Y

D

T

V

V

S

Y

T

G

S

V

K
x
D

F
x
L

F

N

I

K

A

E

P

A

K

E

Q

A

E

S

L

F

I

E

D

K

N

E

G

G

L

G

K

I

I

I

V

G

E

L

S

S

P

I

K

S

A

K

L

L

A

A

E

E

K

T

T

C

D

D

I

V

I

F

L

T

M

S

L
|
L

P
|
P

D

S

T

P

P

R

E

A

V

V

K

E

D

A

V
|
V

L

Y

F

F

G

G

E

A

N

E

G

G

V

L

V

F

F

E

G

N

L

G

K

H

P

S

G

N

K

V

L

V

V

F

I

I

D

D

M

T

S
|
S

S

T

I

V

S

S

P

P

I

Q

D

L

T

N

K

K

E

Q

F

L

A

E

R

E

K

A

V

A

R

K

E

E

T

K

G

K

S

V

E

D

Y

F

I

L

D

A

A

A

P

P

V
|
V

S

S

G

G

E

V

V

I

G

G

A

A

K

E

N

N

A

R

S

T

L

L

S

T

I

F

M

M

A

V

G

G

T

S

Q

K

S

D

A

V

F

Y

D

E

R

K

A

T

L

E

P

S

L

I

F

M

K

G

L

V

M

L

G

G

K

A

N

N

I

I

T

F

L

H

V

V

G

S

D

E

C

Q

G

I

D

D

-

S

G

G

Q

T

V

T

T

V

K

K

V

L

A

I

N

N

Q

N

I

L

V

I

A

G

L

F

T

Y

I

T

E

A

A

G

I

V

S

S

E

E

A

A

L

L

V

T

L

L

A

A

S

K

K

K

A

N

G

N

A

M

N

D

P

L

A

D

R

K

V

M

R

F

E

D

A

I

L

L

M

N

G

V

G

S

F

Y

A

G

S

Q

S

S

R

R

I

I

L

Y

E

E

L

R

H

N

G

Y

D

K

R

S

M

F

I

I

K

A

-

P

R

E

T

N

F

Y

E

E

P

P

G

G

F

F

R

T

I

V

S

N

L

L

H

L

Q

K

K

K

D

D

L

L

N

G

L

F

A

A

L

V

Q

D

S

L

A

A

K

K

T

E

L

S

G

E

V

L

S

H

L

L

P

P

N

V

T

S

A

E

S

M

T

L

Q

L

E

N

L

V

F

Y

N

D

S

E

C

A

A

S

A

Q

N

A

G

G

E

Y

S

G

G

E

L

N

D

D

H

M

S

A

G

A

L

L

V

Y

R

K

A

K

L

V

binding nicotinamide-adenine-dinucleotide: G12 (= G10), N13 (≠ I11), M14 (= M12), D33 (≠ K31), L34 (≠ F32), L67 (= L65), P68 (= P66), V76 (= V74), S97 (= S95), V123 (= V121)

8z9gA Crystal structure of glyoxylate reductase from acetobacter aceti in complex with NADPH
31% identity, 97% coverage: 4:288/294 of query aligns to 10:289/291 of 8z9gA

query
sites
8z9gA

I

I

G

G

F

F

I

I

G

G

L
x
F

G
|
G

I
x
A

M
|
M

G

A

T

S

P

R

M

M

A

G

R

D

H

H

L

L

Q

K

D

T

A

A

G

G

H

Y

D

T

V

I

S

S

T

A

S

-

K

-

F

-

I

Y

A
x
T

P
|
P

K
x
S

Q

G

E

R

L

S

I

P

D

S

N

P

G

S

L

V

K

P

I

M

V

L

E

P

S

T

P

P

K

L

A

A

L

L

A

A

E

K

K

Q

T

A

D

D

I

T

I

V

L

V

M
x
C

L
x
V

P
|
P

D

D

T

D

P

E

E
x
A

V

L

K

A

D

A

V
x
S

L

M

F

Y

G

G

E

E

N

N

G

G

V

A

V

L

F

A

G

G

L

M

K

T

P

K

G

G

K

S

L

L

V

L

I

I

D

N

M

T

S

S

S
|
S

I

V

S

S

P

P

I

E

D

A

T

T

K

A

E

T

F

L

A

Y

R

E

K

A

V

G

R

Q

E

K

T

H

G

G

S

V

E

V

Y

V

I

L

D

D

A

A

P

P

V

V

S

S

G

G

G
x
S

E

T

V

P

G

E

A

A

K

D

N

S

A

A

S

S

L

L

S

V

I

I

M

L

A

V

G

G

T

D

Q

K

S

D

A

D

F

V

D

A

R

R

A

A

L

A

P

P

L

I

F

F

K

D

L

A

M

I

G

G

K

K

N

L

I

T

T

I

L

H

V

A

G

G

D

P

C

T

G

G

D

S

G

G

Q

A

V

R

T

L

K
|
K

V

L

A

V

N

I

Q

N

I

G

I

I

V

M

A

G

L

A

T

G

I

L

E

T

A

T

I

L

S

A

E

E

A

S

L

V

V

A

L

Y

A

G

S

L

K

S

A

A

G

G

A

L

N

D

P

-

A

-

R

-

V

-

R

R

E

S

A

M

L

L

M

F

G

D

G

A

F

L

A

D

S

Q

S

V

R

A

I

V

L

I

E

S

L

P

H

H

G

H

D

K

R

R

M

K

I

L

K

K

R

A

-

A

-

K

-

D

-

G

T

N

F

F

E

A

P

P

G
x
Q

F
|
F

R

P

I

A

S

R

L

L

H

M

Q

Q

K
|
K

D

D

L

M

N

R

L

L

A

L

L

L

Q

D

S

A

A

A

K

A

T

R

L

E

G

A

V

V

S

P

L

V

P

P

N

T

-

L

T

A

A

A

S

A

T

T

Q

Q

E

Q

L

L

F

-

N

-

S

S

C

L

A

T

A

R

N

R

G

L

E

S

S

P

G

N

L

E

D

D

H

Y

S

S

G

S

L

L

V

I

R

R

A

V

L

M

E

E

R

K

I

I

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: F15 (≠ L9), G16 (= G10), A17 (≠ I11), M18 (= M12), T37 (≠ A35), P38 (= P36), S39 (≠ K37), C66 (≠ M64), V67 (≠ L65), P68 (= P66), A72 (≠ E70), S76 (≠ V74), S98 (= S96), S126 (≠ G124), K173 (= K171), Q233 (≠ G231), F234 (= F232), K241 (= K239)

8z9fA Crystal structure of glyoxylate reductase from acetobacter aceti in complex with nadh
31% identity, 97% coverage: 4:288/294 of query aligns to 11:290/293 of 8z9fA

query
sites
8z9fA

I

I

G

G

F

F

I

I

G

G

L
x
F

G
|
G

I
x
A

M
|
M

G

A

T

S

P

R

M

M

A

G

R

D

H

H

L

L

Q

K

D

T

A

A

G

G

H

Y

D

T

V

I

S

S

T

A

S

-

K

-

F

-

I

Y

A

T

P
|
P

K

S

Q

G

E

R

L

S

I

P

D

S

N

P

G

S

L

V

K

P

I

M

V

L

E

P

S

T

P

P

K

L

A

A

L

L

A

A

E

K

K

Q

T

A

D

D

I

T

I

V

L

V

M
x
C

L
x
V

P
|
P

D

D

T

D

P

E

E
x
A

V

L

K

A

D

A

V
x
S

L

M

F

Y

G

G

E

E

N

N

G

G

V

A

V

L

F

A

G

G

L

M

K

T

P

K

G

G

K

S

L

L

V

L

I

I

D

N

M

T

S

S

S
|
S

I

V

S

S

P

P

I

E

D

A

T

T

K

A

E

T

F

L

A

Y

R

E

K

A

V

G

R

Q

E

K

T

H

G

G

S

V

E

V

Y

V

I

L

D

D

A

A

P

P

V

V

S

S

G
|
G

G
x
S

E

T

V

P

G

E

A

A

K

D

N

S

A

A

S

S

L

L

S

V

I

I

M

L

A

V

G

G

T

D

Q

K

S

D

A

D

F

V

D

A

R

R

A

A

L

A

P

P

L

I

F

F

K

D

L

A

M

I

G

G

K

K

N

L

I

T

T

I

L

H

V

A

G

G

D

P

C

T

G

G

D

S

G

G

Q

A

V

R

T

L

K

K

V

L

A

V

N

I

Q

N

I

G

I

I

V

M

A

G

L

A

T

G

I

L

E

T

A

T

I

L

S

A

E

E

A

S

L

V

V

A

L

Y

A

G

S

L

K

S

A

A

G

G

A

L

N

D

P

-

A

-

R

-

V

-

R

R

E

S

A

M

L

L

M

F

G

D

G

A

F

L

A

D

S

Q

S

V

R

A

I

V

L

I

E

S

L

P

H

H

G

H

D

K

R

R

M

K

I

L

K

K

R

A

-

A

-

K

-

D

-

G

T

N

F

F

E

A

P

P

G
x
Q

F
|
F

R

P

I

A

S

R

L

L

H

M

Q

Q

K

K

D

D

L

M

N

R

L

L

A

L

L

L

Q

D

S

A

A

A

K

A

T

R

L

E

G

A

V

V

S

P

L

V

P

P

N

T

-

L

T

A

A

A

S

A

T

T

Q

Q

E

Q

L

L

F

-

N

-

S

S

C

L

A

T

A

R

N

R

G

L

E

S

S

P

G

N

L

E

D

D

H

Y

S

S

G

S

L

L

V

I

R

R

A

V

L

M

E

E

R

K

I

I

binding 1,4-dihydronicotinamide adenine dinucleotide: F16 (≠ L9), G17 (= G10), A18 (≠ I11), M19 (= M12), P39 (= P36), C67 (≠ M64), V68 (≠ L65), P69 (= P66), A73 (≠ E70), S77 (≠ V74), S99 (= S96), G126 (= G123), S127 (≠ G124), Q234 (≠ G231), F235 (= F232)

2uyyA Structure of the cytokine-like nuclear factor n-pac
27% identity, 96% coverage: 4:284/294 of query aligns to 9:289/292 of 2uyyA

query
sites
2uyyA

I

I

G

G

F

F

I

L

G

G

L

L

G
|
G

I
x
L

M
|
M

G

G

T

S

P

G

M

I

A

V

R

S

H

N

L

L

Q

L

D

K

A

M

G

G

H

H

D

T

V

V

S

T

T

V

S

W

K
x
N

F
x
R

F
x
T

I

A

A

E

P

K

K

C

Q

D

E

L

L

F

I

I

D

Q

N

E

G

G

L

A

K

R

I

L

V

G

E

R

S

T

P

P

K

A

A

E

L

V

A

V

E

S

K

T

T

C

D

D

I

I

I

T

I

F

L

A

M

C

L
x
V

P
x
S

D

D

T

P

P

K

E
x
A

V

A

K

K

D

D

V

L

L

V

F

L

G

G

E

P

N

S

G

G

V

V

V

L

F

Q

G

G

L

I

K

R

P

P

G

G

K

K

L

C

V

Y

I

V

D

D

M

M

S

S

S
x
T

I

V

S

D

P

A

I

D

D

T

T

V

K

T

E

E

F

L

A

A

R

Q

K

V

V

I

R

V

E

S

T

R

G

G

S

G

E

R

Y

F

I

L

D

E

A

A

P

P

V

V

S

S

G

G

G

N

E

Q

V

Q

G

L

A

S

K

N

N

D

A

G

S

M

L

L

S

V

I

I

M

L

A

A

G

A

G

G

T

D

Q

R

S

G

A

L

F

Y

D

E

R

D

A

C

L

S

P

S

L

C

F

F

K

Q

L

A

M

M

G

G

K

K

N

T

I

S

T

F

L

F

V

L

G

G

D

E

C

V

G

G

D

N

G

A

Q

A

V

K

T

M

K

M

V

L

A

I

N

V

Q

N

I

M

I

V

V

Q

A

G

L

S

T

F

I

M

E

A

A

T

I

I

S

A

E

E

A

G

L

L

V

T

L

L

A

A

S

Q

K

V

A

T

G

G

A

Q

N

S

P

Q

A

Q

R

T

V

L

R

L

E

D

A

I

L

L

M

N

G

Q

G

G

F

Q

A

L

S

A

S

S

R

I

I

F

L

L

E

D

L

Q

H

K

G

C

D

Q

R

N

M

I

I

L

K

Q

R

G

T

N

F

F

E

K

P

P

G

D

F
|
F

R
x
Y

I

L

S

K

L
x
Y

H

I

Q

Q

K
|
K

D

D

L

L

N

R

L

L

A

A

L

I

Q

A

S

L

A

G

K

D

T

A

L

V

G

N

V

H

S

P

L

T

P

P

N

M

T

A

A

A

S

A

T

A

Q

N

E

E

L

V

F

Y

N

K

S

R

C

A

A

K

A

A

N

L

G

D

E

Q

S

S

G

D

L

N

D

D

H

M

S

S

G

A

L

V

V

Y

R

R

A

A

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: G15 (= G10), L16 (≠ I11), M17 (= M12), N36 (≠ K31), R37 (≠ F32), T38 (≠ F33), V70 (≠ L65), S71 (≠ P66), A75 (≠ E70), T101 (≠ S96), F237 (= F232), Y238 (≠ R233), Y241 (≠ L236), K244 (= K239)

5y8lB Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + NAD +(s)-3-hydroxyisobutyrate (s-hiba) (see paper)
33% identity, 97% coverage: 1:286/294 of query aligns to 1:289/290 of 5y8lB

query
sites
5y8lB

M

M

A

T

D

T

I

I

G

A

F

F

I

L

G
|
G

L

L

G
|
G

I
x
N

M
|
M

G

G

T

A

P

P

M

M

A

S

R

A

H

N

L

L

Q

V

D

G

A

A

G

G

H

H

D

V

V

V

S

R

T

G

S
x
F

K
x
D

F
x
P

F

A

I

P

A

T

P

A

K

A

Q

S

E

G

L

A

I

A

D

A

N

H

G

G

L

V

K

A

I

V

V

F

E

R

S

S

-

A

P

P

K

E

A

A

L

V

A

A

E

E

K

A

T

-

D

D

I

V

I

I

L

T

M
|
M

L
|
L

P

P

D

-

T

T

P

G

E

E

V

V

K

V

D

R

V

R

L

C

F

Y

G

T

E

D

N

-

G

-

V

V

V

L

F

A

G

A

L

A

K

R

P

P

G

A

K

T

L

L

V

F

I

I

D

D

M

S

S

S

S
x
T

I

I

S

S

P

V

I

T

D

D

T

A

K

R

E

E

F

V

A

H

R

A

K

L

V

A

R

E

E

S

T

H

G

G

S

M

E

L

Y

Q

I

L

D

D

A

A

P

P

V

V

S
|
S

G
|
G

E

V

V

K

G

G

A

A

K

A

N

A

A

A

S
x
T

L

L

S

A

I

F

M

M

A

V

G

G

T

D

Q

E

S

S

A

T

F

L

D

R

R

R

A

A

L

R

P

P

L

V

F

L

K
x
E

L

P

M

M

G
x
A

K
x
G

N
x
K

I

I

T

I

L

H

V

C

G

G

D

A

C

A

G

G

D

A

G

G

Q

Q

V

A

T

A

K
|
K

V

V

A

C

N

N

Q

N

I

M

I

V

V

L

A

A

L

V

T

Q

I

Q

E

I

A

A

I

I

S

A

E

E

A

A

L

F

V

V

L

L

A

A

S

E

K

K

A

L

G

G

A

L

N

S

P

A

A

Q

R

S

V

L

R

F

E

D

A

V

L

I

M

T

G

G

G

-

F

-

A

A

S

T

S

G

R

N

I

C

L
x
W

E

A

L

V

H

H

G

T

D

N

R

C

M

P

I

V

-

P

-

G

-

P

-

V

-

P

-

T

-

S

-

P

-

A

K

N

R

N

T

D

F

F

E

K

P

P

G

G

F
|
F

R

S

I

T

S

A

L
|
L

H

M

Q

N

K
|
K

D

D

L

L

N

G

L

L

A

A

L

M

Q

D

S

A

A

V

K

A

T

A

L

T

G

G

V

A

S

T

L

A

P

P

N

L

T

G

A

S

S

H

T

A

Q

A

E

D

L

I

F

Y

N

A

S

K

C

F

A

A

N

D

G

-

E

H

S

A

G

D

L

L

D

D

H

F

S

S

G

A

L

V

V

I

R

H

A

T

L

L

E

R

binding (2~{S})-2-methylpentanedioic acid: T129 (≠ S132), E149 (≠ K152), A152 (≠ G155), G153 (≠ K156), G153 (≠ K156), K154 (≠ N157)
binding (2S)-2-methyl-3-oxidanyl-propanoic acid: S119 (= S122), G120 (= G123), W211 (≠ L216), F236 (= F232)
binding nicotinamide-adenine-dinucleotide: G8 (= G8), G10 (= G10), N11 (≠ I11), M12 (= M12), F30 (≠ S30), D31 (≠ K31), P32 (≠ F32), M64 (= M64), L65 (= L65), T93 (≠ S96), G121 (= G124), K168 (= K171), L240 (= L236), K243 (= K239)

5y8kA Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + l-serine (see paper)
33% identity, 97% coverage: 1:286/294 of query aligns to 1:289/290 of 5y8kA

query
sites
5y8kA

M

M

A

T

D

T

I

I

G

A

F

F

I

L

G

G

L

L

G

G

I

N

M

M

G

G

T

A

P

P

M

M

A

S

R

A

H

N

L

L

Q

V

D

G

A

A

G

G

H

H

D

V

V

V

S

R

T

G

S

F

K

D

F

P

F

A

I

P

A

T

P

A

K

A

Q

S

E

G

L

A

I

A

D

A

N

H

G

G

L

V

K

A

I

V

V

F

E

R

S

S

-

A

P

P

K

E

A

A

L

V

A

A

E

E

K

A

T

-

D

D

I

V

I

I

L

T

M

M

L

L

P

P

D

-

T

T

P

G

E

E

V

V

K

V

D

R

V

R

L

C

F

Y

G

T

E

D

N

-

G

-

V

V

V

L

F

A

G

A

L

A

K

R

P

P

G

A

K

T

L

L

V

F

I

I

D

D

M

S

S

S

S
x
T

I

I

S

S

P

V

I

T

D

D

T

A

K

R

E

E

F

V

A

H

R

A

K

L

V

A

R

E

E

S

T

H

G

G

S

M

E

L

Y

Q

I

L

D

D

A

A

P

P

V

V

S

S

G

G

E

V

V

K

G

G

A

A

K

A

N

A

A

A

S

T

L

L

S

A

I

F

M

M

A

V

G

G

T

D

Q

E

S

S

A

T

F

L

D

R

R

R

A

A

L
x
R

P

P

L

V

F

L

K
x
E

L

P

M

M

G
x
A

K
x
G

N

K

I
|
I

T

I

L

H

V

C

G

G

D

A

C

A

G

G

D

A

G

G

Q

Q

V

A

T

A

K
|
K

V

V

A

C

N

N

Q

N

I

M

I

V

V

L

A

A

L

V

T

Q

I

Q

E

I

A

A

I

I

S

A

E

E

A

A

L

F

V

V

L

L

A

A

S

E

K

K

A

L

G

G

A

L

N

S

P

A

A

Q

R

S

V

L

R

F

E

D

A

V

L

I

M

T

G

G

G

-

F

-

A

A

S

T

S

G

R

N

I

C

L

W

E

A

L

V

H

H

G

T

D

N

R

C

M

P

I

V

-

P

-

G

-

P

-

V

-

P

-

T

-

S

-

P

-

A

K

N

R

N

T

D

F

F

E

K

P

P

G

G

F
|
F

R

S

I

T

S

A

L
|
L

H

M

Q

N

K
|
K

D
|
D

L

L

N

G

L

L

A

A

L

M

Q

D

S

A

A

V

K

A

T

A

L

T

G

G

V

A

S

T

L

A

P

P

N

L

T

G

A

S

S

H

T

A

Q

A

E

D

L

I

F

Y

N

A

S

K

C

F

A

A

N

D

G

-

E

H

S

A

G

D

L

L

D

D

H

F

S

S

G

A

L

V

V

I

R

H

A

T

L

L

E

R

binding (2~{S})-2-methylpentanedioic acid: R145 (≠ L148), E149 (≠ K152), A152 (≠ G155), G153 (≠ K156), I155 (= I158)
binding serine: T93 (≠ S96), K168 (= K171), F236 (= F232), L240 (= L236), K243 (= K239), D244 (= D240)

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)
27% identity, 96% coverage: 4:285/294 of query aligns to 270:551/553 of Q49A26

query
sites
Q49A26

I

I

G
|
G

F
|
F

I
x
L

G
|
G

L
|
L

G
|
G

I
x
L

M
|
M

G
|
G

T
x
S

P
x
G

M
x
I

A
x
V

R
x
S

H
x
N

L

L

Q

L

D

K

A

M

G

G

H

H

D

T

V

V

S

T

T

V

S

W

K

N

F

R

F

T

I

A

A

E

P

K

K

C

Q

D

E

L

L

F

I

I

D

Q

N

E

G

G

L

A

K

R

I

L

V

G

E

R

S

T

P

P

K

A

A

E

L

V

A

V

E

S

K

T

T

C

D

D

I

I

I

T

I

F

L

A

M

C

L

V

P

S

D

D

T

P

P

K

E

A

V

A

K

K

D

D

V

L

L

V

F

L

G

G

E

P

N

S

G

G

V

V

V

L

F

Q

G

G

L

I

K

R

P

P

G

G

K

K

L

C

V

Y

I

V

D

D

M

M

S

S

S
x
T

I

V

S

D

P

A

I

D

D

T

T

V

K

T

E

E

F

L

A

A

R

Q

K

V

V

I

R

V

E

S

T

R

G

G

S

G

E

R

Y

F

I

L

D

E

A

A

P

P

V

V

S

S

G

G

G

N

E

Q

V

Q

G

L

A

S

K

N

N

D

A

G

S

M

L

L

S

V

I

I

M

L

A

A

G

A

G

G

T

D

Q

R

S

G

A

L

F

Y

D

E

R

D

A

C

L

S

P

S

L

C

F

F

K

Q

L

A

M

M

G

G

K

K

N

T

I

S

T

F

L

F

V

L

G

G

D

E

C

V

G

G

D

N

G

A

Q

A

V

K

T

M

K
x
M

V

L

A

I

N

V

Q

N

I

M

I

V

V

Q

A

G

L

S

T

F

I

M

E

A

A

T

I

I

S

A

E

E

A

G

L

L

V

T

L

L

A

A

S

Q

K

V

A

T

G

G

A

Q

N

S

P

Q

A

Q

R

T

V

L

R

L

E

D

A

I

L

L

M

N

G

Q

G

G

F

Q

A

L

S

A

S

S

R

I

I

F

L

L

E

D

L

Q

H

K

G

C

D

Q

R

N

M

I

I

L

K

Q

R

G

T

N

F

F

E

K

P
|
P

G

D

F

F

R

Y

I

L

S

K

L

Y

H

I

Q

Q

K
|
K

D

D

L

L

N

R

L

L

A

A

L

I

Q

A

S

L

A

G

K

D

T

A

L

V

G

N

V

H

S

P

L

T

P

P

N

M

T

A

A

A

S

A

T

A

Q

N

E

E

L

V

F

Y

N

K

S

R

C

A

A

K

A

A

N

L

G

D

E

Q

S

S

G

D

L

N

D

D

H

M

S

S

G

A

L

V

V

Y

R

R

A

A

L

Y

271:285 (vs. 5:19, 47% identical) binding NAD(+)
T362 (≠ S96) binding NAD(+)
M437 (≠ K171) mutation to K: Loss of tetramerization and protein stability.; mutation to N: No effect on tetramerization or protein stability.
P496 (= P230) to L: decreased interaction with GATA4; decreased synergistic activation of GATA4 target genes transcription; detrimental effect on cardiomyocyte differentiation
K505 (= K239) binding NAD(+)

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.

5y8iA Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + (s)-3-hydroxyisobutyrate (s-hiba) (see paper)
33% identity, 98% coverage: 4:290/294 of query aligns to 3:292/292 of 5y8iA

query
sites
5y8iA

I

I

G

A

F

F

I

L

G

G

L

L

G

G

I

N

M

M

G

G

T

A

P

P

M

M

A

S

R

A

H

N

L

L

Q

V

D

G

A

A

G

G

H

H

D

V

V

V

S

R

T

G

S

F

K

D

F

P

F

A

I

P

A

T

P

A

K

A

Q

S

E

G

L

A

I

A

D

A

N

H

G

G

L

V

K

A

I

V

V

F

E

R

S

S

-

A

P

P

K

E

A

A

L

V

A

A

E

E

K

A

T

-

D

D

I

V

I

I

L

T

M

M

L

L

P

P

D

-

T

T

P

G

E

E

V

V

K

V

D

R

V

R

L

C

F

Y

G

T

E

D

N

-

G

-

V

V

V

L

F

A

G

A

L

A

K

R

P

P

G

A

K

T

L

L

V

F

I

I

D

D

M

S

S

S

S

T

I

I

S

S

P

V

I

T

D

D

T

A

K

R

E

E

F

V

A

H

R

A

K

L

V

A

R

E

E

S

T

H

G

G

S

M

E

L

Y

Q

I

L

D

D

A

A

P

P

V

V

S

S

G

G

E

V

V

K

G

G

A

A

K

A

N

A

A

A

S

T

L

L

S

A

I

F

M

M

A

V

G

G

T

D

Q

E

S

S

A

T

F

L

D

R

R

R

A

A

L

R

P

P

L

V

F

L

K
x
E

L

P

M

M

G
x
A

K

G

N
x
K

I
|
I

T

I

L

H

V

C

G

G

D

A

C

A

G

G

D

A

G

G

Q

Q

V

A

T

A

K

K

V

V

A

C

N

N

Q

N

I

M

I

V

V

L

A

A

L

V

T

Q

I

Q

E

I

A

A

I

I

S

A

E

E

A

A

L

F

V

V

L

L

A

A

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E

K

K

A

L

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G

A

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N

S

P

A

A

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R

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R

F

E

D

A

V

L

I

M

T

G

G

G

-

F

-

A

A

S

T

S

G

R

N

I

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W

E

A

L

V

H

H

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T

D

N

R

C

M

P

I

V

-

P

-

G

-

P

-

V

-

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-

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-

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R

N

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F

F

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K

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P

G

G

F

F

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A

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L

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M

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N

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K

D

D

L

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N

G

L

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A

A

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Q

D

S

A

A

V

K

A

T

A

L

T

G

G

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A

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T

L

A

P

P

N

L

T

G

A

S

S

H

T

A

Q

A

E

D

L

I

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Y

N

A

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C

F

A

A

N

D

G

-

E

H

S

A

G

D

L

L

D

D

H

F

S

S

G

A

L

V

V

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H

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L

E

R

R

A

I

R

A

A

N

D

binding (2~{S})-2-methylpentanedioic acid: E148 (≠ K152), A151 (≠ G155), K153 (≠ N157), I154 (= I158)

5y8hA Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + NAD+ (see paper)
33% identity, 96% coverage: 4:286/294 of query aligns to 3:288/291 of 5y8hA

query
sites
5y8hA

I

I

G

A

F

F

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L

G
|
G

L

L

G
|
G

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x
N

M
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M

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L

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D

G

A

A

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G

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H

D

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V

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G

S
x
F

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x
D

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x
P

F

A

I

P

A

T

P

A

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A

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S

E

G

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A

I

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A

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H

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A

I

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V

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E

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S

-

A

P

P

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E

A

A

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A

A

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E

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A

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-

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D

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I

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M

L
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L

P

P

D

-

T

T

P

G

E

E

V

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K

V

D

R

V

R

L

C

F

Y

G

T

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D

N

-

G

-

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A

G

A

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A

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F

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I

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D

M

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I

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E

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A

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E

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S

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Y

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D

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A

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P

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V

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S

G

G

G
|
G

E

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V

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G

G

A

A

K

A

N

A

A

A

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T

L

L

S

A

I

F

M

M

A

V

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A

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D

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R

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x
R

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P

L

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F

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x
E

L

P

M

M

G
x
A

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N
x
K

I

I

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I

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H

V

C

G

G

D

A

C

A

G

G

D

A

G

G

Q

Q

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A

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A

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K

V

V

A

C

N

N

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N

I

M

I

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L

A

A

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Q

I

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E

I

A

A

I

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E

E

A

A

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F

V

V

L

L

A

A

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E

K

K

A

L

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G

A

L

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S

P

A

A

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R

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V

L

R

F

E

D

A

V

L

I

M

T

G

G

G

-

F

-

A

A

S

T

S

G

R

N

I

C

L

W

E

A

L

V

H

H

G

T

D

N

R

C

M

P

I

V

-

P

-

G

-

P

-

V

-

P

-

T

-

S

-

P

-

A

K

N

R

N

T

D

F

F

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P

G

G

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F

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I

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A

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L

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|
K

D

D

L

L

N

G

L

L

A

A

L

M

Q

D

S

A

A

V

K

A

T

A

L

T

G

G

V

A

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T

L

A

P

P

N

L

T

G

A

S

S

H

T

A

Q

A

E

D

L

I

F

Y

N

A

S

K

C

F

A

A

N

D

G

-

E

H

S

A

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D

L

L

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D

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F

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S

G

A

L

V

V

I

R

H

A

T

L

L

E

R

binding (2~{S})-2-methylpentanedioic acid: R144 (≠ L148), E148 (≠ K152), A151 (≠ G155), K153 (≠ N157)
binding nicotinamide-adenine-dinucleotide: G7 (= G8), G9 (= G10), N10 (≠ I11), M11 (= M12), F29 (≠ S30), D30 (≠ K31), P31 (≠ F32), M63 (= M64), L64 (= L65), G120 (= G124), L239 (= L236), K242 (= K239)

Q922P9 Cytokine-like nuclear factor N-PAC; NPAC; Glyoxylate reductase 1 homolog; Nuclear protein NP60; Putative oxidoreductase GLYR1 from Mus musculus (Mouse) (see paper)
27% identity, 96% coverage: 4:285/294 of query aligns to 269:544/546 of Q922P9

query
sites
Q922P9

I

I

G

G

F

F

I

L

G

G

L

L

G

G

I

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M

M

G

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I

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A

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V

S

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F

R

F

-

I

T

A

A

P

E

K

K

Q

E

E

-

L

-

I

-

D

-

N

-

G

G

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G

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R

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P

K

A

A

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D

I

I

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I

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D

T

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P

K

E

A

V

A

K

K

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D

V

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L

V

F

L

G

G

E

P

N

S

G

G

V

V

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F

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G

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P

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G

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K

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C

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Y

I

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D

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M

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A

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R

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G

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G

E

R

Y

F

I

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E

A

A

P

P

V

V

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S

G

G

G

N

E

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Q

G

L

A

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K

N

N

D

A

G

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M

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L

S

V

I

I

M

L

A

A

G

A

G

G

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G

A

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R

D

A

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S

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C

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M

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G

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K

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T

I

S

T

F

L

F

V

L

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G

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E

C

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G

G

D

N

G

A

Q

A

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M

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A

I

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V

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N

I

M

I

V

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Q

A

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F

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A

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A

E

E

A

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L

L

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T

L

L

A

A

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V

A

T

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G

A

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S

P

Q

A

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T

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R

L

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D

A

I

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L

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G

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I

F

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D

L

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C

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F

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P
|
P

G

D

F

F

R

Y

I

L

S

K

L

Y

H

I

Q

Q

K

K

D

D

L

L

N

R

L

L

A

A

L

I

Q

A

S

L

A

G

K

D

T

A

L

V

G

N

V

H

S

P

L

T

P

P

N

M

T

A

A

A

S

A

T

A

Q

N

E

E

L

V

F

Y

N

K

S

R

C

A

A

K

A

A

N

L

G

D

E

Q

S

S

G

D

L

N

D

D

H

M

S

S

G

A

L

V

V

Y

R

R

A

A

L

Y

P489 (= P230) 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.

Query Sequence

>WP_106711239.1 NCBI__GCF_003010955.1:WP_106711239.1
MADIGFIGLGIMGTPMARHLQDAGHDVSTSKFFIAPKQELIDNGLKIVESPKALAEKTDI
IILMLPDTPEVKDVLFGENGVVFGLKPGKLVIDMSSISPIDTKEFARKVRETGSEYIDAP
VSGGEVGAKNASLSIMAGGTQSAFDRALPLFKLMGKNITLVGDCGDGQVTKVANQIIVAL
TIEAISEALVLASKAGANPARVREALMGGFASSRILELHGDRMIKRTFEPGFRISLHQKD
LNLALQSAKTLGVSLPNTASTQELFNSCAANGESGLDHSGLVRALERIANHEVA

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