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)
42% identity, 90% coverage: 19:297/309 of query aligns to 15:290/293 of 3ws7A

query
sites
3ws7A

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binding nadp nicotinamide-adenine-dinucleotide phosphate: G20 (= G24), L21 (≠ T25), G22 (= G26), I23 (≠ V27), M24 (= M28), N43 (= N47), R44 (= R48), T45 (= T49), K48 (= K52), M76 (= M80), V77 (= V81), S78 (≠ G82), D82 (= D86), Q85 (≠ E89), V133 (= V137), F241 (= F248), K242 (≠ F249), H245 (= H252), K248 (= K255)
binding sulfate ion: T134 (≠ S138), G135 (= G139), K183 (= K187)

3pefA Crystal structure of gamma-hydroxybutyrate dehydrogenase from geobacter metallireducens in complex with NADP+ (see paper)
35% identity, 92% coverage: 19:303/309 of query aligns to 3:287/287 of 3pefA

query
sites
3pefA

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binding glycerol: D67 (≠ F83), G123 (= G139), K171 (= K187), N175 (≠ Q191), M178 (≠ I194), L203 (= L219), G207 (≠ S223), N213 (≠ C229), A217 (≠ D233), F232 (= F248), H236 (= H252), K239 (= K255), R242 (≠ G258), R269 (≠ K285)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G10 (= G26), I11 (≠ V27), M12 (= M28), N31 (= N47), R32 (= R48), S33 (≠ T49), K36 (= K52), M64 (= M80), L65 (≠ V81), A66 (≠ G82), A70 (≠ D86), E73 (= E89), T96 (= T112), V121 (= V137), G123 (= G139), S124 (≠ G140), A231 (≠ G247), F232 (= F248), H236 (= H252), K239 (= K255)

P31937 3-hydroxyisobutyrate dehydrogenase, mitochondrial; HIBADH; EC 1.1.1.31 from Homo sapiens (Human) (see paper)
31% identity, 93% coverage: 18:303/309 of query aligns to 40:332/336 of P31937

query
sites
P31937

T
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40:68 (vs. 18:46, 41% identical) binding NAD(+)
LP 103:104 (≠ VG 81:82) binding NAD(+)
N108 (≠ D86) binding NAD(+)
T134 (= T112) binding NAD(+)
K284 (= K255) binding NAD(+)

Sites not aligning to the query:

1:36 modified: transit peptide, Mitochondrion

P29266 3-hydroxyisobutyrate dehydrogenase, mitochondrial; HIBADH; EC 1.1.1.31 from Rattus norvegicus (Rat) (see paper)
30% identity, 93% coverage: 18:303/309 of query aligns to 39:331/335 of P29266

query
sites
P29266

T

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D68 (≠ N47) mutation to R: Decrease of activity with NAD, increase of activity with NADP.
K208 (= K187) mutation K->A,H,N,R: Complete loss of activity.
N212 (≠ Q191) mutation to Q: Decrease in activity.

2i9pB Crystal structure of human hydroxyisobutyrate dehydrogenase complexed with NAD+
31% identity, 92% coverage: 20:303/309 of query aligns to 3:293/296 of 2i9pB

query
sites
2i9pB

I

V

G

G

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L

L

L

M

K

K

A

H

G

G

Y

Y

S

P

V

L

A

I

V

I

H
x
Y

N
x
D

R
x
V

T

F

R

P

E

D

K

A

A

C

V

K

P

E

L

F

L

Q

E

D

Q

A

G

G

A

E

R

Q

W

V

V

V

E

S

S

S

P

P

A

A

E

D

A

V

A

A

R

E

E

K

A

A

H

D

V

R

V

I

L

I

S

T

M
|
M

V
x
L

G
x
P

F

T

P

S

E

I

D

N

V

A

W

I

E

E

V

A

Y

Y

L

S

G

G

K

A

E

N

G

G

V

I

L

L

Q

K

T

K

A

V

R

K

E

K

G

G

T

S

V

L

V

I

D

D

M

S

T

S

T
|
T

T

I

E

D

P

P

H

A

L

V

A

S

Q

K

E

E

I

L

H

A

K

K

Y

E

A

V

K

E

T

K

K

M

G

G

V

A

Y

V

A

F

V

M

D

D

A

A

P

P

V
|
V

S

S

G
|
G

G

G

D

V

V

G

G

A

A

A

R

R

E

S

G

G

T

N

L

L

S

T

I

F

M

M

I

V

G

G

D

V

P

E

E

D

A

E

V

F

D

A

V

A

L

Q

P

E

L

L

F

L

R

G

I

C

L

M

G

G

K

S

N

N

I

V

V

V

Y

Y

Q

C

G

G

P

A

A

V

G

G

A

T

G

G

Q

Q

H

A

T

A

K

K

M

I

C

C

N

N

Q

N

I

M

V

L

I

L

A

A

G

I

T

S

M

M

I

I

G

G

V

T

C

A

E

E

S

A

L

M

L

N

Y

L

G

G

A

I

R

R

A

L

G

G

L

L

D

D

L

P

E

K

T

L

M

L

L

A

Q

K

S

I

I

L

S

N

R

M

G

S

A

S

A

G

A

R

C

C

W

W

T

S

L

S

D

D

-

T

-

Y

N

N

L

P

A

V

P

P

R

G

I

V

L

M

K

D

-

G

-

V

-

P

-

S

-

A

K

N

N

N

F

Y

D

Q

P

G

G

G

F
|
F

F

G

V

T

E

T

H

L

F

M

I

A

K
|
K

D

D

M

L

G

G

I

L

A

A

L

Q

K

D

E

S

A

A

E

T

R

S

M

T

G

K

L

S

C

P

L

I

P

L

G

L

L

G

A

S

L

L

V

A

H

H

Q

Q

L

I

Y

Y

L

R

A

M

V

M

K

C

A

A

Q

K

G

G

H

Y

G

S

K

K

G

D

T

F

H

S

A

S

L

V

M

F

L

Q

A

F

L

L

E

R

Q

E

binding nicotinamide-adenine-dinucleotide: G9 (= G26), N10 (≠ V27), M11 (= M28), Y29 (≠ H46), D30 (≠ N47), V31 (≠ R48), M63 (= M80), L64 (≠ V81), P65 (≠ G82), T95 (= T112), V120 (= V137), G122 (= G139), F238 (= F248), K245 (= K255)

3pduA Crystal structure of gamma-hydroxybutyrate dehydrogenase from geobacter sulfurreducens in complex with NADP+ (see paper)
31% identity, 92% coverage: 18:302/309 of query aligns to 2:286/287 of 3pduA

query
sites
3pduA

T

T

R

T

I

Y

G

G

W

F

I

L

G
|
G

T

L

G
|
G

V
x
I

M
|
M

G

G

A

G

A

P

M

M

C

A

A

A

H

N

L

L

L

V

K

R

A

A

G

G

Y

F

S

D

V

V

A

T

V

V

H

W

N
|
N

R
|
R

T
x
N

R

P

E

A

K

K

A

C

V

A

P

P

L

L

L

V

E

A

Q

L

G

G

A

A

R

R

W

Q

V

A

E

S

S

S

P

P

A

A

E

E

A

V

A

C

R

A

E

A

A

C

H

D

V

I

V

T

L

I

S

A

M
|
M

V
x
L

G
x
A

F

D

P

P

E

A

D
x
A

V

A

W

R

E

E

V

V

Y

C

L

F

G

G

K

A

E

N

G

G

V

V

L

L

Q

E

T

G

A

I

R

G

E

G

G

G

T

R

V

G

V

Y

V

I

D

D

M

M

T

S

T
|
T

T

V

E

D

P

D

H

E

L

T

A

S

Q

T

E

A

I

I

H

G

K

A

Y

A

A

V

K

T

T

A

K

R

G

G

V

G

Y

R

A

F

V

L

D

E

A

A

P

P

V
|
V

S

S

G
|
G

G
x
T

D

K

V

K

G

P

A

A

R

E

E

D

G

G

T

T

L

L

S

I

I

I

M

L

I

A

G

A

G

G

D

D

P

Q

E

S

A

L

V

F

D

T

V

D

V

A

L

G

P

P

L

A

F

F

R

A

I

A

L

L

G

G

K

K

N

K

I

C

V

L

Y

H

Q

L

G

G

P

E

A

V

G

G

A

Q

G

G

Q

A

H

R

T

M

K
|
K

M

L

C

V

N

V

Q

N

I

M

V

I

I

M

A

G

G

Q

T

M

M

M

I

T

G

A

V

L

C

G

E

E

S

G

L

M

L

A

Y

L

G

G

A

R

R

N

A

C

G

G

L

L

D

D

L

G

E

G

T

Q

M

L

L

L

Q

E

S

V

I

L

S

D

R

A

G

G

A

A

A

M

A

A

C

N

W

P

T

M

L

F

D

K

N

G

L

K

A

G

P

Q

R

M

I

L

L

L

K

S

K

G

N

E

F

F

D

P

P

T

G
x
S

F
|
F

F
x
P

V

L

E

K

H
|
H

F

M

I

Q

K
|
K

D

D

M

L

G
x
R

I

L

A

A

L

V

K
x
E

E

L

A

G

E

D

R
|
R

M

L

G

G

L

Q

C

P

L

L

P

H

G

G

L

A

A

A

L

T

V

A

H

N

Q

E

L

S

Y

F

L

K

A

R

V

A

K

R

A

A

Q

A

G

G

H

H

G

A

K

D

K

E

G

D

T

F

H

A

A

A

L

V

M

F

L

R

A

V

L

L

E

E

binding glycerol: R242 (≠ G258), E246 (≠ K262), E246 (≠ K262), R250 (= R266)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G24), G10 (= G26), I11 (≠ V27), M12 (= M28), N31 (= N47), R32 (= R48), N33 (≠ T49), M64 (= M80), L65 (≠ V81), A66 (≠ G82), A70 (≠ D86), T96 (= T112), V121 (= V137), G123 (= G139), T124 (≠ G140), K171 (= K187), S231 (≠ G247), F232 (= F248), P233 (≠ F249), H236 (= H252), K239 (= K255)

Q9I5I6 NAD-dependent L-serine dehydrogenase; L-serine 3-dehydrogenase (NAD(+)); EC 1.1.1.387 from Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) (see paper)
37% identity, 78% coverage: 19:259/309 of query aligns to 3:250/298 of Q9I5I6

query
sites
Q9I5I6

R
x
Q

I
|
I

G
x
A

W
x
F

I
|
I

G
|
G

T
x
L

G
|
G

V
x
H

M
|
M

G
|
G

A
|
A

A
x
P

M
|
M

C
x
A

A
x
T

H
x
N

L
|
L

K
|
K

A
|
A

G
|
G

Y
|
Y

S
x
L

V
x
L

A
x
N

V
|
V

H
x
F

N
x
D

R

L

T

V

R

Q

E

S

K

A

A

V

V

D

P

G

L

L

L

V

E

A

Q

A

G

G

A

A

R

S

W

A

V

A

E

R

S

S

P

A

A

R

E

D

A

A

A

V

R

Q

E

G

A

A

H

D

V

V

L

I

S

S

M

M

V

L

G
x
P

F

A

P

S

E

Q

D

H

V

V

W

E

E

G

V

L

Y

Y

L

L

G

D

K

D

E

D

G

G

V

L

L

L

Q

A

T

H

A

I

R

A

E

P

G

G

T

T

V

L

V

V

V

L

D

E

M

C

T

S

T
|
T

T

I

E

A

P

P

H

T

L

S

A

A

Q

R

E

K

I

I

H

H

K

A

Y

A

A

A

K

R

T

E

K

R

G

G

V

L

Y

A

A

M

V

L

D

D

A

A

P

P

V

V

S
|
S

G

G

D

T

V

A

G

G

A

A

R

A

E

A

G

G

T

T

L

L

S

T

I

F

M

M

I

V

G

G

D

D

P

A

E

E

A

A

V

L

D

E

V

K

V

A

L

R

P

P

L

L

F

F

R

E

I

A

L

M

G

G

K

R

N

N

I

I

V

F

Y

H

Q

A

G

G

P

P

A

D

G

G

A

A

G

G

Q

Q

H

V

T

A

K
|
K

M

V

C

C

N

N

Q
x
N

I

Q

V

L

I

L

A

A

G

V

T

L

M

M

I

I

G

G

V

T

C

A

E

E

S

A

L

M

L

A

Y

L

G

G

A

V

R

A

A

N

G

G

L

L

D

E

L

A

E

K

T

V

M

L

L

A

Q

E

S

I

I

M

S

R

R

R

G

S

A

S

A

G

C

N

W
|
W

T

A

L

L

D

E

-

V

-
x
Y

N

N

L

P

A

W

P

P

R

G

I

V

L

M

K

E

-

N

-

A

-

P

-

A

-

S

K

R

N

D

F

Y

D

S

P

G

G

G

F

F

F

M

V

A

E

Q

H

L

F

M

I

A

K
|
K

D
|
D

M

L

G

G

I

L

P66 (≠ G82) binding NAD(+)
T96 (= T112) binding NAD(+); mutation to A: Almost abolished activity.
S122 (= S138) mutation to A: Strongly reduced activity.
K171 (= K187) active site
N175 (≠ Q191) mutation to A: Strongly reduced activity.
W214 (= W230) mutation to A: Almost abolished activity.
Y219 (vs. gap) mutation to A: Strongly reduced activity.
K246 (= K255) binding NAD(+); mutation to A: Almost abolished activity.
D247 (= D256) mutation to A: Almost abolished activity.

Sites not aligning to the query:

2:31 binding NAD(+)

5je8B The crystal structure of bacillus cereus 3-hydroxyisobutyrate dehydrogenase in complex with NAD (see paper)
30% identity, 92% coverage: 14:297/309 of query aligns to 1:285/294 of 5je8B

query
sites
5je8B

D

D

P

P

Q

-

W

M

T

K

R

K

I

I

G

G

W

F

I

I

G

G

T

L

G
|
G

V
x
N

M
|
M

G

G

A

L

A

P

M

M

C

S

A

K

H

N

L

L

L

V

K

K

A

S

G

G

Y

Y

S

T

V

V

A

Y

V

G

H

V

N
x
D

R
x
L

T

N

R

K

E

E

K

A

A

E

V

A

P

S

L

F

L

E

E

K

Q

E

G

G

A

G

R

I

W

I

V

G

E

L

S

S

P

I

A

S

E

K

A

L

A

A

R

E

E

T

A

C

H

D

V

V

L

F

S

T

M

S

V
x
L

G
x
P

F

S

P

P

E

R

D

A

V

V

W

E

E

A

V
|
V

Y

Y

L

F

G

G

K

A

E

E

G

G

V

L

L

F

Q

E

T

N

A

G

R

H

E

S

G

N

T

V

V

V

V

F

V

I

D

D

M

T

T
x
S

T

T

T

V

E

S

P

P

H

Q

L

L

A

N

Q

K

E

Q

I

L

H

E

K

E

Y

A

A

A

K

K

T

E

K

K

G

K

V

V

Y

D

A

F

V

L

D

A

A

A

P

P

V
|
V

S

S

G

G

D

V

V

I

G

G

A

A

R

E

E

N

G

R

T

T

L

L

S

T

I

F

M

M

I

V

G

G

D

S

P

K

E

D

A

V

V

Y

D

E

V

K

V

T

L

E

P

S

L

I

F

M

R

G

I

V

L

L

G

G

K

A

N

N

I

I

V

F

Y

H

Q

V

G

S

P

E

A

Q

-

I

G

D

A

S

G

G

Q

T

H

T

T

V

K

K

M

L

C

I

N

N

Q

N

I

L

V

L

I

I

A

G

G

F

T

Y

M

T

I

A

G

G

V

V

C

S

E

E

S

A

L

L

L

T

Y

L

G

A

A

K

R

K

A

N

G

N

L

M

D

D

L

L

E

D

T

K

M

M

L

F

Q

D

-

I

-

L

S

N

I

V

S

S

R

Y

G

G

A

Q

A

S

A

R

C

I

W

Y

T

E

L

-

D

R

N

N

L

Y

A

K

P

S

R

F

I

I

L

A

K

P

K

E

N

N

F

Y

D

E

P

P

G

G

F

F

F

T

V

V

E

N

H

L

F

L

I

K

K

K

D

D

M

L

G

G

I

F

A

A

L

V

K

D

E

L

A

A

E

K

R

E

M

S

G

E

L

L

C

H

L

L

P

P

G

V

L

S

A

E

L

M

V

L

H

L

Q

N

L

V

Y

Y

L

D

A

E

V

A

K

S

A

Q

Q

A

G

G

H

Y

G

G

K

E

K

N

G

D

T

M

H

A

A

A

L

L

binding nicotinamide-adenine-dinucleotide: G12 (= G26), N13 (≠ V27), M14 (= M28), D33 (≠ N47), L34 (≠ R48), L67 (≠ V81), P68 (≠ G82), V76 (= V90), S97 (≠ T111), V123 (= V137)

2uyyA Structure of the cytokine-like nuclear factor n-pac
29% identity, 93% coverage: 15:300/309 of query aligns to 4:289/292 of 2uyyA

query
sites
2uyyA

P

P

Q

T

W

D

T

K

R

K

I

I

G

G

W

F

I

L

G

G

T

L

G
|
G

V
x
L

M
|
M

G

G

A

S

A

G

M

I

C

V

A

S

H

N

L

L

K

K

A

M

G

G

Y

H

S

T

V

V

A

T

V

V

H

W

N
|
N

R
|
R

T
|
T

R

A

E

E

K

K

A

C

V

D

P

L

L

F

L

I

E

Q

Q

E

G

G

A

A

R

R

W

L

V

G

E

R

S

T

P

P

A

A

E

E

A

V

R

S

E

T

A

C

H

D

V

I

V

T

L

F

S

A

M

C

V
|
V

G
x
S

F

D

P

P

E

K

D
x
A

V

A

W

K

E

D

V

L

Y

V

L

L

G

G

K

P

E

S

G

G

V

V

L

L

Q

Q

T

G

A

I

R

R

E

P

G

G

T

K

V

C

V

Y

V

V

D

D

M

M

T

S

T
|
T

T

V

E

D

P

A

H

D

L

T

A

V

Q

T

E

E

I

L

H

A

K

Q

Y

V

A

I

K

V

T

S

K

R

G

G

V

G

Y

R

A

F

V

L

D

E

A

A

P

P

V

V

S

S

G

G

G

N

D

Q

V

Q

G

L

A

S

R

N

E

D

G

G

T

M

L

L

S

V

I

I

M

L

I

A

G

A

G

G

D

D

P

R

E

G

A

L

V

Y

D

E

V

D

V

C

L

S

P

S

L

C

F

F

R

Q

I

A

L

M

G

G

K

K

N

T

I

S

V

F

Y

F

Q

L

G

G

P

E

A

V

G

G

A

N

G

A

Q

A

H

K

T

M

K

M

M

L

C

I

N

V

Q

N

I

M

V

V

I

Q

A

G

G

S

T

F

M

M

I

A

G

T

V

I

C

A

E

E

S

G

L

L

L

T

Y

L

G

A

A

Q

R

V

A

T

G

G

L

Q

D

S

L

Q

E

Q

T

T

M

L

L

L

Q

D

S

I

I

L

S

N

R

Q

G

G

A

Q

A

L

A

A

C

S

W

I

T

F

L

L

D

D

N

Q

L

K

A

C

P

Q

R

N

I

I

L

L

K

Q

K

G

N

N

F

F

D

K

P

P

G

D

F
|
F

F
x
Y

V

L

E

K

H
x
Y

F

I

I

Q

K
|
K

D

D

M

L

G

R

I

L

A

A

L

I

K

A

E

L

A

G

E

D

R

A

M

V

G

N

L

H

C

P

L

T

P

P

G

M

L

A

A

A

L

A

V

A

H

N

Q

E

L

V

Y

Y

L

K

A

R

V

A

K

K

A

A

Q

L

G

D

H

Q

G

S

K

D

K

N

G

D

T

M

H

S

A

A

L

V

M

Y

L

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 (= G26), L16 (≠ V27), M17 (= M28), N36 (= N47), R37 (= R48), T38 (= T49), V70 (= V81), S71 (≠ G82), A75 (≠ D86), T101 (= T112), F237 (= F248), Y238 (≠ F249), Y241 (≠ H252), K244 (= K255)

3q3cA Crystal structure of a serine dehydrogenase from pseudomonas aeruginosa pao1 in complex with NAD (see paper)
37% identity, 78% coverage: 19:259/309 of query aligns to 2:248/294 of 3q3cA

query
sites
3q3cA

R

Q

I

I

G

A

W

F

I

I

G

G

T

L

G
|
G

V
x
H

M
|
M

G

G

A

A

A

P

M

M

C

A

A

T

H

N

L

L

K

K

A

A

G

G

Y

Y

S

L

V

L

A

N

V

V

H
x
F

N
x
D

R
x
L

T

V

R

Q

E

S

K

A

A

V

V

D

P

G

L

L

L

V

E

A

Q

A

G

G

A

A

R

S

W

A

V

A

E

R

S

S

P

A

A

R

E

D

A

A

A

V

R

Q

E

G

A

A

H

D

V

V

L

I

S

S

M
|
M

V
x
L

G
x
P

F

A

P

S

E

Q

D

H

V

V

W

E

E

G

V

L

Y

Y

L

L

G

-

K

D

E

D

G

G

V

L

L

L

Q

A

T

H

A

I

R

A

E

P

G

G

T

T

V

L

V

V

V

L

D

E

M

C

T

S

T
|
T

T

I

E

A

P

P

H

T

L

S

A

A

Q

R

E

K

I

I

H

H

K

A

Y

A

A

A

K

R

T

E

K

R

G

G

V

L

Y

A

A

M

V

L

D

D

A

A

P

P

V
|
V

S

S

G
|
G

G

G

D

T

V

A

G

G

A

A

R

A

E

A

G

G

T

T

L

L

S

T

I

F

M

M

I

V

G

G

D

D

P

A

E

E

A

A

V

L

D

E

V

K

V

A

L

R

P

P

L

L

F

F

R

E

I

A

L

M

G

G

K

R

N

N

I

I

V

F

Y

H

Q

A

G

G

P

P

A

D

G

G

A

A

G

G

Q

Q

H

V

T

A

K

K

M

V

C

C

N

N

Q

N

I

Q

V

L

I

L

A

A

G

V

T

L

M

M

I

I

G

G

V

T

C

A

E

E

S

A

L

M

L

A

Y

L

G

G

A

V

R

A

A

N

G

G

L

L

D

E

L

A

E

K

T

V

M

L

L

A

Q

E

S

I

I

M

S

R

R

R

G

S

A

S

A

G

C

N

W

W

T

A

L

L

D

E

-

V

-

Y

N

N

L

P

A

W

P

P

R

G

I

V

L

M

K

E

-

N

-

A

-

P

-

A

-

S

K

R

N

D

F

Y

D

S

P

G

G

G

F
|
F

F

M

V

A

E

Q

H

L

F

M

I

A

K
|
K

D

D

M

L

G

G

I

L

binding nicotinamide-adenine-dinucleotide: G9 (= G26), H10 (≠ V27), M11 (= M28), F29 (≠ H46), D30 (≠ N47), L31 (≠ R48), M63 (= M80), L64 (≠ V81), P65 (≠ G82), T94 (= T112), V119 (= V137), G121 (= G139), F237 (= F248), K244 (= K255)

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, 88% coverage: 15:286/309 of query aligns to 265:536/553 of Q49A26

query
sites
Q49A26

P

P

Q

T

W

D

T

K

R

K

I

I

G
|
G

W
x
F

I
x
L

G
|
G

T
x
L

G
|
G

V
x
L

M
|
M

G
|
G

A
x
S

A
x
G

M
x
I

C
x
V

A
x
S

H
x
N

L

L

K

K

A

M

G

G

Y

H

S

T

V

V

A

T

V

V

H

W

N

N

R

R

T

T

R

A

E

E

K

K

A

C

V

D

P

L

L

F

L

I

E

Q

Q

E

G

G

A

A

R

R

W

L

V

G

E

R

S

T

P

P

A

A

E

E

A

V

R

S

E

T

A

C

H

D

V

I

V

T

L

F

S

A

M

C

V

V

G

S

F

D

P

P

E

K

D

A

V

A

W

K

E

D

V

L

Y

V

L

L

G

G

K

P

E

S

G

G

V

V

L

L

Q

Q

T

G

A

I

R

R

E

P

G

G

T

K

V

C

V

Y

V

V

D

D

M

M

T

S

T
|
T

T

V

E

D

P

A

H

D

L

T

A

V

Q

T

E

E

I

L

H

A

K

Q

Y

V

A

I

K

V

T

S

K

R

G

G

V

G

Y

R

A

F

V

L

D

E

A

A

P

P

V

V

S

S

G

G

G

N

D

Q

V

Q

G

L

A

S

R

N

E

D

G

G

T

M

L

L

S

V

I

I

M

L

I

A

G

A

G

G

D

D

P

R

E

G

A

L

V

Y

D

E

V

D

V

C

L

S

P

S

L

C

F

F

R

Q

I

A

L

M

G

G

K

K

N

T

I

S

V

F

Y

F

Q

L

G

G

P

E

A

V

G

G

A

N

G

A

Q

A

H

K

T

M

K
x
M

M

L

C

I

N

V

Q

N

I

M

V

V

I

Q

A

G

G

S

T

F

M

M

I

A

G

T

V

I

C

A

E

E

S

G

L

L

L

T

Y

L

G

A

A

Q

R

V

A

T

G

G

L

Q

D

S

L

Q

E

Q

T

T

M

L

L

L

Q

D

S

I

I

L

S

N

R

Q

G

G

A

Q

A

L

A

A

C

S

W

I

T

F

L

L

D

D

N

Q

L

K

A

C

P

Q

R

N

I

I

L

L

K

Q

K

G

N

N

F

F

D

K

P
|
P

G

D

F

F

F

Y

V

L

E

K

H

Y

F

I

I

Q

K
|
K

D

D

M

L

G

R

I

L

A

A

L

I

K

A

E

L

A

G

E

D

R

A

M

V

G

N

L

H

C

P

L

T

P

P

G

M

L

A

A

A

L

A

V

A

H

N

Q

E

L

V

Y

Y

L

K

A

R

V

A

K

K

A

A

271:285 (vs. 21:35, 33% identical) binding NAD(+)
T362 (= T112) binding NAD(+)
M437 (≠ K187) mutation to K: Loss of tetramerization and protein stability.; mutation to N: No effect on tetramerization or protein stability.
P496 (= P246) to L: decreased interaction with GATA4; decreased synergistic activation of GATA4 target genes transcription; detrimental effect on cardiomyocyte differentiation
K505 (= K255) 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.

1wp4A Structure of tt368 protein from thermus thermophilus hb8 (see paper)
35% identity, 93% coverage: 19:306/309 of query aligns to 2:284/288 of 1wp4A

query
sites
1wp4A

R

K

I

V

G

A

W

F

I

I

G
|
G

T
x
L

G
|
G

V
x
A

M
|
M

G

G

A

Y

A

P

M

M

C

A

A

G

H

H

L

L

L

A

K

R

A

R

G

-

Y

F

S

P

V

T

A

L

V

V

H

W

N
|
N

R
|
R

T
|
T

R

F

E

E

K
|
K

A

A

V

L

P

R

L

H

L

Q

E

E

Q

E

-

F

G

G

A

S

R

E

W

A

V

V

E

-

S

-

P

P

A

L

E

E

A

R

A

V

R

A

E

E

A

A

H

R

V

V

V

I

L

F

S

T

M
x
C

V
x
L

G
x
P

F

T

P

T

E

R

D
x
E

V

V

W

Y

E

E

V

V

Y

-

L

-

G

-

K

A

E

E

G

A

V

L

L

Y

Q

P

T

Y

A

L

R

R

E

E

G

G

T

T

V

Y

V

W

V

V

D

D

M

A

T

T

T
x
S

T

G

E

E

P

P

H

E

L

A

A

S

Q

R

E

R

I

L

H

A

K

E

Y

R

A

L

K

R

T

E

K

K

G

G

V

V

Y

T

A

Y

V

L

D

D

A

A

P

P

V
|
V

S
|
S

G
|
G

D

T

V

S

G

G

A

A

R

E

E

A

G

G

T

T

L

L

S

T

I

V

M

M

I

L

G

G

D

P

P

E

E

E

A

A

V

V

D

E

V

R

V

V

L

R

P

P

L

-

F

F

R

L

I

A

L

Y

G

A

K

K

N

K

I

V

V

V

Y

H

Q

V

G

G

P

P

A

V

G

G

A

A

G

G

Q

H

H

A

T

V

K
|
K

M

A

C

I

N
|
N

Q
x
N

I

A

V

L

I

L

A

A

G

V

T

N

M

L

I

W

G

A

V

A

C

G

E

E

S

G

L

L

Y

A

G

L

A

V

R

K

A

Q

G

G

L

V

D

S

L

A

E

E

T

K

M

A

L

L

Q

E

S

V

I

I

S

N

R

A

G

S

A

S

A

G

A

R

C

S

W

N

T

A

L

T

D

E

N

N

L

L

A

I

P

P

-

Q

R

R

I

V

L

L

K

T

K

R

N

A

F

F

D

P

P

K

G
x
T

F
|
F

F

A

V

L

E

G

H

L

F

L

I

V

K
|
K

D

D

M

L

G

G

I

I

A

A

L

M

K

G

E

V

A

L

E

D

R

G

M

E

G

K

L

A

C

P

L

S

P

P

G

L

L

L

A

R

L

L

V

A

H

R

Q

E

L

V

Y

Y

-

E

L

M

A

A

V

K

K

R

A

E

Q

L

G

G

H

P

G

D

K

A

K

D

G

H

T

V

H

E

A

A

L

L

M

R

L

L

A

-

L

L

E

E

Q

R

L

W

A

G

G

G

active site: S116 (= S138), K164 (= K187), N167 (= N190), N168 (≠ Q191)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G7 (= G24), L8 (≠ T25), G9 (= G26), A10 (≠ V27), M11 (= M28), N29 (= N47), R30 (= R48), T31 (= T49), K34 (= K52), C61 (≠ M80), L62 (≠ V81), P63 (≠ G82), E67 (≠ D86), S90 (≠ T112), V115 (= V137), T225 (≠ G247), F226 (= F248), K233 (= K255)
binding sulfate ion: S116 (= S138), G117 (= G139), G118 (= G140), K164 (= K187)

2cvzC Structure of hydroxyisobutyrate dehydrogenase from thermus thermophilus hb8 (see paper)
35% identity, 93% coverage: 19:306/309 of query aligns to 3:285/289 of 2cvzC

query
sites
2cvzC

R

K

I

V

G

A

W

F

I

I

G
|
G

T
x
L

G
|
G

V
x
A

M
|
M

G

G

A

Y

A

P

M

M

C

A

A

G

H

H

L

L

L

A

K

R

A

R

G

-

Y

F

S

P

V

T

A

L

V

V

H

W

N
|
N

R
|
R

T
|
T

R

F

E

E

K

K

A

A

V

L

P

R

L

H

L

Q

E

E

Q

E

-

F

G

G

A

S

R

E

W

A

V

V

E

-

S

-

P

P

A

L

E

E

A

R

A

V

R

A

E

E

A

A

H

R

V

V

V

I

L

F

S

T

M
x
C

V
x
L

G
x
P

F

T

P

T

E

R

D
x
E

V

V

W

Y

E
|
E

V

V

Y

-

L

-

G

-

K

A

E

E

G

A

V

L

L

Y

Q

P

T

Y

A

L

R

R

E

E

G

G

T

T

V

Y

V

W

V

V

D

D

M

A

T

T

T
x
S

T

G

E

E

P

P

H

E

L

A

A

S

Q

R

E

R

I

L

H

A

K

E

Y

R

A

L

K

R

T

E

K

K

G

G

V

V

Y

T

A

Y

V

L

D

D

A

A

P

P

V
|
V

S
|
S

G

G

D

T

V

S

G

G

A

A

R

E

E

A

G

G

T

T

L

L

S

T

I

V

M

M

I

L

G

G

D

P

P

E

E

E

A

A

V

V

D

E

V

R

V

V

L

R

P

P

L

-

F

F

R

L

I

A

L

Y

G

A

K

K

N

K

I

V

V

V

Y

H

Q

V

G

G

P

P

A

V

G

G

A

A

G

G

Q

H

H

A

T

V

K
|
K

M

A

C

I

N
|
N

Q
x
N

I

A

V

L

I

L

A

A

G

V

T

N

M

L

I

W

G

A

V

A

C

G

E

E

S

G

L

L

Y

A

G

L

A

V

R

K

A

Q

G

G

L

V

D

S

L

A

E

E

T

K

M

A

L

L

Q

E

S

V

I

I

S

N

R

A

G

S

A

S

A

G

A

R

C

S

W

N

T

A

L

T

D

E

N

N

L

L

A

I

P

P

-

Q

R

R

I

V

L

L

K

T

K

R

N

A

F

F

D

P

P

K

G

T

F
|
F

F

A

V

L

E

G

H

L

F

L

I

V

K
|
K

D

D

M

L

G

G

I

I

A

A

L

M

K

G

E

V

A

L

E

D

R

G

M

E

G

K

L

A

C

P

L

S

P

P

G

L

L

L

A

R

L

L

V

A

H

R

Q

E

L

V

Y

Y

-

E

L

M

A

A

V

K

K

R

A

E

Q

L

G

G

H

P

G

D

K

A

K

D

G

H

T

V

H

E

A

A

L

L

M

R

L

L

A

-

L

L

E

E

Q

R

L

W

A

G

G

G

active site: S117 (= S138), K165 (= K187), N168 (= N190), N169 (≠ Q191)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G24), L9 (≠ T25), G10 (= G26), A11 (≠ V27), M12 (= M28), N30 (= N47), R31 (= R48), T32 (= T49), C62 (≠ M80), L63 (≠ V81), P64 (≠ G82), E68 (≠ D86), E71 (= E89), S91 (≠ T112), V116 (= V137), F227 (= F248), K234 (= K255)

3obbA Crystal structure of a possible 3-hydroxyisobutyrate dehydrogenase from pseudomonas aeruginosa pao1 (see paper)
36% identity, 78% coverage: 19:259/309 of query aligns to 3:249/295 of 3obbA

query
sites
3obbA

R

Q

I

I

G

A

W

F

I

I

G

G

T

L

G

G

V

H

M

M

G

G

A

A

A

P

M

M

C

A

A

T

H

N

L

L

K

K

A

A

G

G

Y

Y

S

L

V

L

A

N

V

V

H

F

N

D

R

L

T

V

R

Q

E

S

K

A

A

V

V

D

P

G

L

L

L

V

E

A

Q

A

G

G

A

A

R

S

W

A

V

A

E

R

S

S

P

A

A

R

E

D

A

A

A

V

R

Q

E

G

A

A

H

D

V

V

L

I

S

S

M

M

V

L

G

P

F

A

P

S

E

Q

D

H

V

V

W

E

E

G

V

L

Y

Y

L

L

G

D

K

D

E

D

G

G

V

L

L

L

Q

A

T

H

A

I

R

A

E

P

G

-

T

T

V

L

V

V

V

L

D

E

M

C

T

S

T

T

T

I

E

A

P

P

H

T

L

S

A

A

Q

R

E

K

I

I

H

H

K

A

Y

A

A

A

K

R

T

E

K

R

G

G

V

L

Y

A

A

M

V

L

D

D

A

A

P

P

V

V

S

S

G
|
G

D

T

V

A

G

G

A

A

R

A

E

A

G

G

T

T

L

L

S

T

I

F

M

M

I

V

G

G

D

D

P

A

E

E

A

A

V

L

D

E

V

K

V

A

L

R

P

P

L

L

F

F

R

E

I

A

L

M

G

G

K

R

N

N

I

I

V

F

Y

H

Q

A

G

G

P

P

A

D

G

G

A

A

G

G

Q

Q

H

V

T

A

K
|
K

M

V

C

C

N

N

Q
x
N

I

Q

V

L

I

L

A

A

G

V

T

L

M

M

I

I

G

G

V

T

C

A

E

E

S

A

L

M

L

A

Y

L

G

G

A

V

R

A

A

N

G

G

L

L

D

E

L

A

E

K

T

V

M

L

L

A

Q

E

S

I

I

M

S

R

R

R

G

S

A

S

A

G

C

N

W
|
W

T

A

L

L

D

E

-

V

-
x
Y

N

N

L

P

A

W

P

P

R

G

I

V

L

M

K

E

-

N

-

A

-

P

-

A

-

S

K

R

N

D

F

Y

D

S

P

G

G

G

F
|
F

F

M

V

A

E

Q

H

L

F

M

I

A

K

K

D

D

M

L

G

G

I

L

binding 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid: G122 (= G139), G123 (= G140), K170 (= K187), N174 (≠ Q191), W213 (= W230), Y218 (vs. gap), F238 (= F248)

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, 88% coverage: 15:286/309 of query aligns to 264:529/546 of Q922P9

query
sites
Q922P9

P

P

Q

T

W

D

T

K

R

K

I

I

G

G

W

F

I

L

G

G

T

L

G

G

V

L

M

M

G

G

A

S

A

G

M

I

C

V

A

S

H

N

L

L

K

K

A

M

G

G

Y

H

S

T

V

V

A

T

V

V

H

W

N

N

R

R

T

T

R

A

E

E

K

K

A

-

V

-

P

-

L

-

E

-

Q

E

G

G

A

A

R

R

W

L

V

G

E

R

S

T

P

P

A

A

E

E

A

V

R

S

E

T

A

C

H

D

V

I

V

T

L

F

S

A

M

C

V

V

G

S

F

D

P

P

E

K

D

A

V

A

W

K

E

D

V

L

Y

V

L

L

G

G

K

P

E

S

G

G

V

V

L

L

Q

Q

T

G

A

I

R

R

E

P

G

G

T

K

V

C

V

Y

V

V

D

D

M

M

T

S

T

T

T

V

E

D

P

A

H

D

L

T

A

V

Q

T

E

E

I

L

H

A

K

Q

Y

V

A

I

K

V

T

S

K

R

G

G

V

G

Y

R

A

F

V

L

D

E

A

A

P

P

V

V

S

S

G

G

G

N

D

Q

V

Q

G

L

A

S

R

N

E

D

G

G

T

M

L

L

S

V

I

I

M

L

I

A

G

A

G

G

D

D

P

R

E

G

A

L

V

Y

D

E

V

D

V

C

L

S

P

S

L

C

F

F

R

Q

I

A

L

M

G

G

K

K

N

T

I

S

V

F

Y

F

Q

L

G

G

P

E

A

V

G

G

A

N

G

A

Q

A

H

K

T

M

K

M

M

L

C

I

N

V

Q

N

I

M

V

V

I

Q

A

G

G

S

T

F

M

M

I

A

G

T

V

I

C

A

E

E

S

G

L

L

L

T

Y

L

G

A

A

Q

R

V

A

T

G

G

L

Q

D

S

L

Q

E

Q

T

T

M

L

L

L

Q

D

S

I

I

L

S

N

R

Q

G

G

A

Q

A

L

A

A

C

S

W

I

T

F

L

L

D

D

N

Q

L

K

A

C

P

Q

R

N

I

I

L

L

K

Q

K

G

N

N

F

F

D

K

P
|
P

G

D

F

F

F

Y

V

L

E

K

H

Y

F

I

I

Q

K

K

D

D

M

L

G

R

I

L

A

A

L

I

K

A

E

L

A

G

E

D

R

A

M

V

G

N

L

H

C

P

L

T

P

P

G

M

L

A

A

A

L

A

V

A

H

N

Q

E

L

V

Y

Y

L

K

A

R

V

A

K

K

A

A

P489 (= P246) 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.

5u5gA Psf3 in complex with NADP+ and 2-opp (see paper)
35% identity, 64% coverage: 20:218/309 of query aligns to 3:202/286 of 5u5gA

query
sites
5u5gA

I

V

G

G

W

F

I

I

G
|
G

T

L

G
|
G

V
x
R

M
|
M

G

G

A

Q

A

A

M

I

C

C

A

R

H

R

L

L

K

A

A

S

G

Q

Y

M

S

P

V

V

A

H

V

V

H

H

N
|
N

R
|
R

T
x
S

R

R

E

E

K
|
K

A

A

V

D

P

D

L

L

L

I

E

R

Q

Q

G

G

A

A

R

V

W

W

V

A

E

P

S

D

P

I

A

V

E

A

A

L

A

T

R

R

E

A

A

A

H

R

V

V

V

L

L

F

S

V

M
x
C

V
x
T

G
x
A

F

G

P

S

E

E

D
x
A

V

V

W

Q

E

D

V
x
F

Y

Y

L

H

G

A

K

P

E

D

-

R

G

G

V

L

L

L

Q

A

T

C

A

L

R

E

E

V

G

G

T

D

V

I

V

V

D

D

M

L

T
x
S

T
|
T

T

I

E

A

P

P

H

E

L

T

A

A

Q

E

E

G

I

L

H

H

K

A

Y

A

A

F

K

A

T

Q

K

Q

G

G

V

A

Y

D

A

Y

V

I

D

E

A

C

P

P

V

V

S
|
S

G
|
G

D

V

V

E

G

G

A

A

R

L

E

A

G

G

T

I

L

L

S

S

I

A

M

I

I

V

G

S

G

G

D

R

P

P

E

E

A

A

V

Y

D

G

V

L

V

I

L

R

P

P

L

L

F

L

R

E

I

V

L

F

G

C

K

A

N

T

I

V

V

T

Y

Y

Q

V

G

P

P

E

A

P

G

G

A

K

G

A

Q

Q

H

R

T

L

K
|
K

M

I

C

L

N

N

Q
x
N

I

L

V

A

I
x
E

A

S

G

I

T

N

M

L

I

A

G

G

V

A

C

I

E

E

S

V

L

I

L

S

Y

Q

G

G

A

L

R

S

A

Q

G

G

L

L

D

D

L

L

E

K

T

S

M

M

binding (2-oxopropyl)phosphonic acid: S122 (= S138), G123 (= G139), G124 (= G140), K171 (= K187), N175 (≠ Q191), E178 (≠ I194)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G7 (= G24), G9 (= G26), R10 (≠ V27), M11 (= M28), N30 (= N47), R31 (= R48), S32 (≠ T49), K35 (= K52), C63 (≠ M80), T64 (≠ V81), A65 (≠ G82), A69 (≠ D86), F73 (≠ V90), S95 (≠ T111), T96 (= T112)

Sites not aligning to the query:

5y8hA Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + NAD+ (see paper)
32% identity, 83% coverage: 18:272/309 of query aligns to 1:259/291 of 5y8hA

query
sites
5y8hA

T

T

R

T

I

I

G

A

W

F

I

L

G
|
G

T

L

G
|
G

V
x
N

M
|
M

G

G

A

A

A

P

M

M

C

S

A

A

H

N

L

L

L

V

K

G

A

A

G

G

Y

H

S

V

V

V

A

R

V

G

H
x
F

N
x
D

R
x
P

T

A

R

P

E

T

K

A

A

A

V

S

P

G

L

A

E

A

Q

H

G

G

A

V

R

A

W

V

V

F

E

R

S

S

P

A

A

P

E

E

A

A

A

V

R

A

E

E

A

A

H

D

V

V

L

I

S

T

M
|
M

V
x
L

G

P

F

T

P

G

E

E

D

V

V

V

W

R

E

R

V

C

Y

Y

L

-

G

-

K

-

E

T

G

D

V

V

L

L

Q

A

T

A

A

A

R

R

E

P

G

A

T

T

V

L

V

F

V

I

D

D

M

S

T

S

T

T

T

I

E

S

P

V

H

T

L

D

A

A

Q

R

E

E

I

V

H

H

K

A

Y

L

A

A

K

E

T

S

K

H

G

G

V

M

Y

L

A

Q

V

L

D

D

A

A

P

P

V

V

S

S

G

G

G
|
G

D

V

V

K

G

G

A

A

R

A

E

A

G

A

T

T

L

L

S

A

I

F

M

M

I

V

G

G

D

D

P

E

E

S

A

T

V

L

D

R

V

R

V

A

L
x
R

P

P

L

V

F

L

R
x
E

I

P

L

M

G
x
A

K

G

N
x
K

I

I

V

I

Y

H

Q

C

G

G

P

A

A

A

G

G

A

A

G

G

Q

Q

H

A

T

A

K

K

M

V

C

C

N

N

Q

N

I

M

V

V

I

L

A

A

G

V

T

Q

M

Q

I

I

G

A

V

I

C

A

E

E

S

A

L

F

L

V

Y

L

G

A

A

E

R

K

A

L

G

G

L

L

D

S

L

A

E

Q

T

S

M

L

L

F

Q

D

S

V

I

I

S

T

R

G

G

A

A

T

A

G

A

N

C

C

W

W

T

A

L

V

D

H

N

T

L

N

A

C

P

P

-

V

-

P

-

G

-

P

-

V

-

P

-

T

R

S

I

P

L

A

K

N

N

D

F

F

D

K

P

P

G

G

F

F

F

S

V

T

E

A

H
x
L

F

M

I

N

K
|
K

D

D

M

L

G

G

I

L

A

A

L

M

K

D

E

A

A

V

E

A

R

A

M

T

G

G

L

A

C

T

L

A

P

P

binding (2~{S})-2-methylpentanedioic acid: R144 (≠ L164), E148 (≠ R168), A151 (≠ G171), K153 (≠ N173)
binding nicotinamide-adenine-dinucleotide: G7 (= G24), G9 (= G26), N10 (≠ V27), M11 (= M28), F29 (≠ H46), D30 (≠ N47), P31 (≠ R48), M63 (= M80), L64 (≠ V81), G120 (= G140), L239 (≠ H252), K242 (= K255)

5y8lB Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + NAD +(s)-3-hydroxyisobutyrate (s-hiba) (see paper)
32% identity, 83% coverage: 18:272/309 of query aligns to 2:260/290 of 5y8lB

query
sites
5y8lB

T

T

R

T

I

I

G

A

W

F

I

L

G
|
G

T

L

G
|
G

V
x
N

M
|
M

G

G

A

A

A

P

M

M

C

S

A

A

H

N

L

L

L

V

K

G

A

A

G

G

Y

H

S

V

V

V

A

R

V

G

H
x
F

N
x
D

R
x
P

T

A

R

P

E

T

K

A

A

A

V

S

P

G

L

A

E

A

Q

H

G

G

A

V

R

A

W

V

V

F

E

R

S

S

P

A

A

P

E

E

A

A

A

V

R

A

E

E

A

A

H

D

V

V

L

I

S

T

M
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M

V
x
L

G

P

F

T

P

G

E

E

D

V

V

V

W

R

E

R

V

C

Y

Y

L

-

G

-

K

-

E

T

G

D

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V

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L

Q

A

T

A

A

A

R

R

E

P

G

A

T

T

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L

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D

D

M

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T

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T
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T

T

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T

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D

A

A

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R

E

E

I

V

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H

K

A

Y

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A

A

K

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K

H

G

G

V

M

Y

L

A

Q

V

L

D

D

A

A

P

P

V

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S
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S

G
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G

D

V

V

K

G

G

A

A

R

A

E

A

G

A

T
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T

L

L

S

A

I

F

M

M

I

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G

G

D

D

P

E

E

S

A

T

V

L

D

R

V

R

V

A

L

R

P

P

L

V

F

L

R
x
E

I

P

L

M

G
x
A

K
x
G

N
x
K

I

I

V

I

Y

H

Q

C

G

G

P

A

A

A

G

G

A

A

G

G

Q

Q

H

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T

A

K
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K

M

V

C

C

N

N

Q

N

I

M

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V

I

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A

A

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V

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M

Q

I

I

G

A

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L

F

Q

D

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I

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G

G

A

A

T

A

G

A

N

C

C

W
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W

T

A

L

V

D

H

N

T

L

N

A

C

P

P

-

V

-

P

-

G

-

P

-

V

-

P

-

T

R

S

I

P

L

A

K

N

N

D

F

F

D

K

P

P

G

G

F
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F

F

S

V

T

E

A

H
x
L

F

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N

K
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K

D

D

M

L

G

G

I

L

A

A

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K

D

E

A

A

V

E

A

R

A

M

T

G

G

L

A

C

T

L

A

P

P

binding (2~{S})-2-methylpentanedioic acid: T129 (= T148), E149 (≠ R168), A152 (≠ G171), G153 (≠ K172), G153 (≠ K172), K154 (≠ N173)
binding (2S)-2-methyl-3-oxidanyl-propanoic acid: S119 (= S138), G120 (= G139), W211 (= W230), F236 (= F248)
binding nicotinamide-adenine-dinucleotide: G8 (= G24), G10 (= G26), N11 (≠ V27), M12 (= M28), F30 (≠ H46), D31 (≠ N47), P32 (≠ R48), M64 (= M80), L65 (≠ V81), T93 (= T112), G121 (= G140), K168 (= K187), L240 (≠ H252), K243 (= K255)

5y8kA Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + l-serine (see paper)
32% identity, 83% coverage: 18:272/309 of query aligns to 2:260/290 of 5y8kA

query
sites
5y8kA

T

T

R

T

I

I

G

A

W

F

I

L

G

G

T

L

G

G

V

N

M

M

G

G

A

A

A

P

M

M

C

S

A

A

H

N

L

L

L

V

K

G

A

A

G

G

Y

H

S

V

V

V

A

R

V

G

H

F

N

D

R

P

T

A

R

P

E

T

K

A

A

A

V

S

P

G

L

A

E

A

Q

H

G

G

A

V

R

A

W

V

V

F

E

R

S

S

P

A

A

P

E

E

A

A

A

V

R

A

E

E

A

A

H

D

V

V

L

I

S

T

M

M

V

L

G

P

F

T

P

G

E

E

D

V

V

V

W

R

E

R

V

C

Y

Y

L

-

G

-

K

-

E

T

G

D

V

V

L

L

Q

A

T

A

A

A

R

R

E

P

G

A

T

T

V

L

V

F

V

I

D

D

M

S

T

S

T
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T

T

I

E

S

P

V

H

T

L

D

A

A

Q

R

E

E

I

V

H

H

K

A

Y

L

A

A

K

E

T

S

K

H

G

G

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M

Y

L

A

Q

V

L

D

D

A

A

P

P

V

V

S

S

G

G

D

V

V

K

G

G

A

A

R

A

E

A

G

A

T

T

L

L

S

A

I

F

M

M

I

V

G

G

D

D

P

E

E

S

A

T

V

L

D

R

V

R

V

A

L
x
R

P

P

L

V

F

L

R
x
E

I

P

L

M

G
x
A

K
x
G

N

K

I
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I

V

I

Y

H

Q

C

G

G

P

A

A

A

G

G

A

A

G

G

Q

Q

H

A

T

A

K
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K

M

V

C

C

N

N

Q

N

I

M

V

V

I

L

A

A

G

V

T

Q

M

Q

I

I

G

A

V

I

C

A

E

E

S

A

L

F

L

V

Y

L

G

A

A

E

R

K

A

L

G

G

L

L

D

S

L

A

E

Q

T

S

M

L

L

F

Q

D

S

V

I

I

S

T

R

G

G

A

A

T

A

G

A

N

C

C

W

W

T

A

L

V

D

H

N

T

L

N

A

C

P

P

-

V

-

P

-

G

-

P

-

V

-

P

-

T

R

S

I

P

L

A

K

N

N

D

F

F

D

K

P

P

G

G

F
|
F

F

S

V

T

E

A

H
x
L

F

M

I

N

K
|
K

D
|
D

M

L

G

G

I

L

A

A

L

M

K

D

E

A

A

V

E

A

R

A

M

T

G

G

L

A

C

T

L

A

P

P

binding (2~{S})-2-methylpentanedioic acid: R145 (≠ L164), E149 (≠ R168), A152 (≠ G171), G153 (≠ K172), I155 (= I174)
binding serine: T93 (= T112), K168 (= K187), F236 (= F248), L240 (≠ H252), K243 (= K255), D244 (= D256)

Query Sequence

>WP_245795132.1 NCBI__GCF_900129305.1:WP_245795132.1
MMTQAQTQNLKACDPQWTRIGWIGTGVMGAAMCAHLLKAGYSVAVHNRTREKAVPLLEQG
ARWVESPAEAAREAHVVLSMVGFPEDVWEVYLGKEGVLQTAREGTVVVDMTTTEPHLAQE
IHKYAKTKGVYAVDAPVSGGDVGAREGTLSIMIGGDPEAVDVVLPLFRILGKNIVYQGPA
GAGQHTKMCNQIVIAGTMIGVCESLLYGARAGLDLETMLQSISRGAAACWTLDNLAPRIL
KKNFDPGFFVEHFIKDMGIALKEAERMGLCLPGLALVHQLYLAVKAQGHGKKGTHALMLA
LEQLAGSRP

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