SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing GFF3544 HP15_3486 3-hydroxyisobutyrate dehydrogenase and related beta-hydroxyacid dehydrogenase to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

3w6zA Crystal structure of NADP bound l-serine 3-dehydrogenase (k170m) from hyperthermophilic archaeon pyrobaculum calidifontis (see paper)
41% identity, 88% coverage: 8:273/303 of query aligns to 16:284/296 of 3w6zA

query
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3w6zA

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binding nadp nicotinamide-adenine-dinucleotide phosphate: G20 (= G12), L21 (≠ I13), G22 (= G14), I23 (≠ L15), M24 (= M16), N43 (= N35), R44 (= R36), T45 (= T37), K48 (= K40), M76 (= M67), V77 (≠ L68), S78 (≠ E69), D82 (≠ V73), Q85 (= Q76), V86 (= V77), S107 (= S97), T108 (≠ S98), V133 (= V123), G136 (= G126), M183 (≠ K172), G243 (= G232), F244 (≠ A233), K245 (≠ P234), H248 (≠ I237), K251 (= K240), D252 (= D241)

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)
41% identity, 88% coverage: 8:273/303 of query aligns to 16:281/293 of 3ws7A

query
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3ws7A

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binding nadp nicotinamide-adenine-dinucleotide phosphate: G20 (= G12), L21 (≠ I13), G22 (= G14), I23 (≠ L15), M24 (= M16), N43 (= N35), R44 (= R36), T45 (= T37), K48 (= K40), M76 (= M67), V77 (≠ L68), S78 (≠ E69), D82 (≠ V73), Q85 (= Q76), V86 (= V77), S107 (= S97), T108 (≠ S98), V133 (= V123), G136 (= G126), K183 (= K172), G240 (= G232), F241 (≠ A233), K242 (≠ P234), H245 (≠ I237), K248 (= K240), D249 (= D241)
binding sulfate ion: T134 (≠ S124), G135 (= G125), G136 (= G126), K183 (= K172), N186 (= N175), V190 (= V179)

3pduA Crystal structure of gamma-hydroxybutyrate dehydrogenase from geobacter sulfurreducens in complex with NADP+ (see paper)
34% identity, 92% coverage: 10:287/303 of query aligns to 6:286/287 of 3pduA

query
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3pduA

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binding glycerol: R242 (= R243), E246 (≠ D247), E246 (≠ D247), D249 (≠ R250), R250 (≠ A251)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G12), L9 (≠ I13), G10 (= G14), I11 (≠ L15), M12 (= M16), N31 (= N35), R32 (= R36), N33 (≠ T37), M64 (= M67), L65 (= L68), A66 (≠ E69), A70 (≠ V73), E73 (≠ Q76), V74 (= V77), S95 (= S97), T96 (≠ S98), V121 (= V123), G123 (= G125), T124 (≠ G126), K171 (= K172), S231 (≠ G232), F232 (≠ A233), P233 (= P234), H236 (≠ I237), K239 (= K240), D240 (= D241)

2cvzC Structure of hydroxyisobutyrate dehydrogenase from thermus thermophilus hb8 (see paper)
35% identity, 94% coverage: 8:291/303 of query aligns to 4:285/289 of 2cvzC

query
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2cvzC

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G

active site: S117 (= S124), K165 (= K172), N168 (= N175), N169 (≠ Q176)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G12), L9 (≠ I13), G10 (= G14), A11 (≠ L15), M12 (= M16), W29 (= W34), N30 (= N35), R31 (= R36), T32 (= T37), C62 (≠ M67), L63 (= L68), P64 (≠ E69), E68 (≠ V73), E71 (≠ Q76), T90 (≠ S97), S91 (= S98), V116 (= V123), G119 (= G126), K165 (= K172), T226 (≠ G232), F227 (≠ A233), L231 (≠ I237), K234 (= K240), D235 (= D241)

1wp4A Structure of tt368 protein from thermus thermophilus hb8 (see paper)
35% identity, 94% coverage: 8:291/303 of query aligns to 3:284/288 of 1wp4A

query
sites
1wp4A

I

V

A

A

F

F

L

I

G
|
G

I
x
L

G
|
G

L
x
A

M
|
M

G

G

T

Y

P

P

M

M

T

A

R

G

N

H

L

L

L

A

N

R

A

R

G

-

F

F

P

P

M

T

T

L

L

V

W
|
W

N
|
N

R
|
R

T
|
T

S

F

S

E

K
|
K

C

A

-

L

-

R

-

H

-

Q

E

E

P

E

F

F

A

G

S

S

E

E

A

A

V

V

I

-

A

-

E

-

S

-

P

P

A

L

E

E

A

R

V

V

A

A

N

E

A

A

D

R

V

V

V

I

I

F

T

T

M
x
C

L
|
L

E
x
P

N

T

S

T

D

R

V
x
E

V

V

E

Y

Q
x
E

V

V

L

-

V

-

A

A

Q

E

G

A

A

L

I

Y

D

P

A

Y

L

L

K

R

P

E

G

G

A

T

L

Y

V

W

I

V

D

D

M

A

S
x
T

S
|
S

I

G

Q

E

P

P

S

E

V

A

A

S

R

R

H

L

G

A

E

E

L

R

V

L

A

R

E

E

Q

K

G

G

A

V

G

T

Y

Y

V

L

D

D

A

A

P

P

V
|
V

S
|
S

G
|
G

T
|
T

V

S

G

G

A

A

A

E

E

A

A

G

R

T

L

L

S

T

I

V

M

M

A

L

G

G

S

P

E

E

A

E

D

A

V

V

D

E

R

R

A

V

R

R

P

P

V

F

F

L

E

A

A

Y

L

A

G

K

K

K

C

V

T

V

R

H

I

V

G

G

P

P

V

V

G

G

A

A

G

G

Q

H

L

A

A

V

K
|
K

L

A

A

I

N
|
N

Q
x
N

A

A

I

L

V

L

G

A

I

V

T

N

I

L

G

W

A

A

V

A

S

G

E

E

A

G

L

L

L

A

A

L

A

V

K

K

G

Q

G

G

A

V

D

S

P

A

A

E

A

K

V

A

R

L

E

E

A

V

L

I

L

N

G

A

G

S

F

S

A

G

G

R

S

S

R

N

I

A

L

T

E

E

-

N

L

L

H

I

G

P

Q

Q

R

R

M

V

I

L

D

T

R

R

E

A

F

F

A

P

P

K

G
x
T

A
x
F

P

A

A

L

R

G

I
x
L

Q

L

L

V

K
|
K

D
|
D

M

L

R

G

M

I

-

A

-

M

-

G

I

V

L

L

D

D

E

G

A

E

R

K

A

A

E

P

G

S

L

P

T

L

L

L

P

R

L

L

A

A

Q

R

Q

E

T

V

H

Y

N

E

E

M

Y

A

L

K

S

R

L

E

V

L

A

G

N

-

G

-

H

-

S

P

D

D

V

A

D

D

H

H

S

V

G

E

L

A

L

L

L

R

E

L

L

L

E

E

H

R

L

W

N

G

G

G

active site: S116 (= S124), K164 (= K172), N167 (= N175), N168 (≠ Q176)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G7 (= G12), L8 (≠ I13), G9 (= G14), A10 (≠ L15), M11 (= M16), W28 (= W34), N29 (= N35), R30 (= R36), T31 (= T37), K34 (= K40), C61 (≠ M67), L62 (= L68), P63 (≠ E69), E67 (≠ V73), E70 (≠ Q76), T89 (≠ S97), S90 (= S98), V115 (= V123), G118 (= G126), T119 (= T127), K164 (= K172), T225 (≠ G232), F226 (≠ A233), L230 (≠ I237), K233 (= K240), D234 (= D241)
binding sulfate ion: S116 (= S124), G117 (= G125), G118 (= G126), K164 (= K172), N168 (≠ Q176), F226 (≠ A233)

P29266 3-hydroxyisobutyrate dehydrogenase, mitochondrial; HIBADH; EC 1.1.1.31 from Rattus norvegicus (Rat) (see paper)
30% identity, 94% coverage: 3:288/303 of query aligns to 36:331/335 of P29266

query
sites
P29266

S

A

T

S

K

K

P

T

H

P

I

V

A

G

F

F

L

I

G

G

I

L

G

G

L

N

M

M

G

G

T

N

P

P

M

M

T

A

R

K

N

N

L

L

L

I

N

K

A

H

G

G

F

Y

P

P

M

L

T

I

L

L

W

Y

N
x
D

R

V

T

F

S

P

S

D

K

V

C

C

E

K

P

E

F

F

-

K

-

E

A

A

S

G

E

E

A

Q

V

V

I

-

A

A

E

S

S

S

P

P

A

A

E

D

A

V

V

A

A

E

N

K

A

A

D

D

V

R

V

I

I

I

T

T

M

M

L

L

E

P

N

S

S

S

-

M

D

N

V

S

V

I

E

E

Q

V

V

Y

L

S

V

G

A

A

Q

N

G

G

A

I

I

L

D

K

A

K

L

V

K

K

P

K

G

G

A

S

L

L

V

L

I

I

D

D

M

S

S

S

S

T

I

I

Q

D

P

P

S

S

V

V

A

S

R

K

R

E

H

L

G

A

E

K

L

E

V

V

A

E

E

K

Q

M

G

G

A

A

G

V

Y

F

V

M

D

D

A

A

P

P

V

V

S

S

G

G

T

V

V

G

G

A

A

A

A

R

E

S

A

G

R

N

L

L

S

T

I

F

M

M

A

V

G

G

S

V

E

E

A

N

D

E

V

F

D

A

R

A

A

A

R

Q

P

E

V

L

F

L

E

G

A

C

L

M

G

G

-

S

K

N

C

V

T

L

R

Y

I

C

G

G

P

A

V

V

G

G

A

S

G

G

Q

Q

L

S

A

A

K
|
K

L

I

A

C

N

N

Q
x
N

A

M

I

L

V

L

G

A

I

I

T

S

I

M

G

I

A

G

V

T

S

A

E

E

A

A

L

M

L

N

L

L

A

G

A

I

K

R

G

S

G

G

A

L

D

D

P

P

A

K

A

L

V

L

R

-

E

-

A

-

L

-

G

-

F

-

A

-

G

-

S

A

R

K

I

I

L

L

E

N

L

M

H

S

G

S

Q

G

R

R

M

C

I

W

D

S

R

S

E

D

-

T

F

Y

A

N

P

P

-

V

-

P

-

G

-

V

-

M

-

D

G

G

A

V

P

P

A

S

R

S

-

N

-

Y

-

Q

-

G

-

F

-

G

-

T

I

L

Q

M

L

A

K

K

D

D

M

L

R

G

M

L

I

A

L

Q

D

D

E

S

A

A

R

T

A

S

E

T

G

K

L

T

T

P

L

I

P

L

L

L

A

G

Q

S

Q

V

T

A

H

H

N

Q

E

I

Y

Y

L

R

S

M

L

M

V

C

A

S

N

K

G

G

H

Y

S

S

D

K

V

K

D

D

H

F

S

S

G

S

L

V

L

F

L

Q

E

Y

L

L

E

R

H

E

D68 (≠ N35) 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.

P31937 3-hydroxyisobutyrate dehydrogenase, mitochondrial; HIBADH; EC 1.1.1.31 from Homo sapiens (Human) (see paper)
30% identity, 94% coverage: 3:288/303 of query aligns to 37:332/336 of P31937

query
sites
P31937

S

A

T

S

K

K

P
x
T

H
x
P

I
x
V

A
x
G

F
|
F

L
x
I

G
|
G

I
x
L

G
|
G

L
x
N

M
|
M

G
|
G

T
x
N

P
|
P

M
|
M

T
x
A

R
x
K

N
|
N

L
|
L

L
x
M

N
x
K

A
x
H

G
|
G

F
x
Y

P
|
P

M
x
L

T
x
I

L
x
I

W
x
Y

N

D

R

V

T

F

S

P

S

D

K

A

C

C

E

K

P

E

F

F

-

Q

-

D

A

A

S

G

E

E

A

Q

V

V

I

V

A

S

E

-

S

S

P

P

A

A

E

D

A

V

V

A

A

E

N

K

A

A

D

D

V

R

V

I

I

I

T

T

M

M

L
|
L

E
x
P

N

T

S

S

-

I

D
x
N

V

A

V

I

E

E

Q

A

V

Y

L

S

V

G

A

A

Q

N

G

G

A

I

I

L

D

K

A

K

L

V

K

K

P

K

G

G

A

S

L

L

V

L

I

I

D

D

M

S

S

S

S
x
T

I

I

Q

D

P

P

S

A

V

V

A

S

R

K

R

E

H

L

G

A

E

K

L

E

V

V

A

E

E

K

Q

M

G

G

A

A

G

V

Y

F

V

M

D

D

A

A

P

P

V

V

S

S

G

G

T

V

V

G

G

A

A

A

A

R

E

S

A

G

R

N

L

L

S

T

I

F

M

M

A

V

G

G

S

V

E

E

A

D

D

E

V

F

D

A

R

A

A

A

R

Q

P

E

V

L

F

L

E

G

A

C

L

M

G

G

-

S

K

N

C

V

T

V

R

Y

I

C

G

G

P

A

V

V

G

G

A

T

G

G

Q

Q

L

A

A

A

K

K

L

I

A

C

N

N

Q

N

A

M

I

L

V

L

G

A

I

I

T

S

I

M

G

I

A

G

V

T

S

A

E

E

A

A

L

M

L

N

L

L

A

G

A

I

K

R

G

L

G

G

A

L

D

D

P

P

A

K

A

L

V

L

R

-

E

-

A

-

L

-

G

-

F

-

A

-

G

-

S

A

R

K

I

I

L

L

E

N

L

M

H

S

G

S

Q

G

R

R

M

C

I

W

D

S

R

S

E

D

-

T

F

Y

A

N

P

P

-

V

-

P

-

G

-

V

-

M

-

D

G

G

A

V

P

P

A

S

-

A

-

N

-

Y

-

Q

-

G

-

F

-

G

-

T

R

T

I

L

Q

M

L

A

K
|
K

D

D

M

L

R

G

M

L

I

A

L

Q

D

D

E

S

A

A

R

T

A

S

E

T

G

K

L

S

T

P

L

I

P

L

L

L

A

G

Q

S

Q

L

T

A

H

H

N

Q

E

I

Y

Y

L

R

S

M

L

M

V

C

A

A

N

K

G

G

H

Y

S

S

D

K

V

K

D

D

H

F

S

S

G

S

L

V

L

F

L

Q

E

F

L

L

E

R

H

E

40:68 (vs. 6:34, 38% identical) binding
LP 103:104 (≠ LE 68:69) binding
N108 (≠ D72) binding
T134 (≠ S98) binding
K284 (= K240) binding

Sites not aligning to the query:

1:36 modified: transit peptide, Mitochondrion

3pefA Crystal structure of gamma-hydroxybutyrate dehydrogenase from geobacter metallireducens in complex with NADP+ (see paper)
31% identity, 93% coverage: 7:288/303 of query aligns to 3:287/287 of 3pefA

query
sites
3pefA

H

K

I

F

A

G

F

F

L

I

G
|
G

I
x
L

G
|
G

L
x
I

M
|
M

G

G

T

S

P

A

M

M

T

A

R

K

N

N

L

L

L

V

N

K

A

A

G

G

F

C

P

S

M

V

T

T

L

I

W

W

N
|
N

R
|
R

T
x
S

S

P

S

E

K
|
K

C

A

E

E

P

E

F

L

A

A

S

A

-

L

E

G

A

A

V

E

I

R

A

A

E

A

S

T

P

P

A

C

E

E

A

V

V

V

A

E

N

S

A

C

D

P

V

V

V

T

I

F

T

A

M
|
M

L
|
L

E
x
A

N
x
D

S

P

D

A

V
x
A

V

A

E

E

Q
x
E

V
|
V

L

C

V

F

A

G

Q

K

-

H

G

G

A

V

I

L

D

E

A

G

L

I

K

G

P

E

G

G

A

R

L

G

V

Y

I

V

D

D

M

M

S
|
S

S
x
T

I

V

Q

D

P

P

S

A

V

T

A

S

R

Q

R

R

H

I

G

G

E

V

L

A

V

V

A

V

E

A

Q

K

G

G

A

G

G

R

Y

F

V

L

D

E

A

A

P

P

V
|
V

S

S

G
|
G

G
x
S

T

K

V

K

G

P

A

A

A

E

E

D

A

G

R

T

L

L

S

I

I

I

M

L

A

A

G

A

G

G

S

D

E

R

A

N

D

L

V

Y

D

D

R

E

A

A

R

M

P

P

V

G

F

F

E

E

A

K

L

M

G

G

-

K

K

K

C

I

T

I

R

H

I

L

G

G

P

D

V

V

G

G

A

K

G

G

Q

A

L

E

A

M

K
|
K

L

L

A

V

N

V

Q
x
N

A

M

I

V

V
x
M

G

G

I

G

T

M

I

M

G

A

A

C

V

F

S

C

E

E

A

G

L

L

L

A

L

L

A

G

A

E

K

K

G

A

G

G

A

L

D

A

P

T

A

D

A

A

V

I

R
x
L

E

D

A

V

L

I

L
x
G

G

A

G

G

F

A

A

M

G
x
A

S
x
N

R

P

I

M

L
x
F

E
x
A

L

L

H

K

G

G

Q

G

R

L

M

I

I

R

D

D

R

R

E

N

F

F

A

A

P

P

G
x
A

A
x
F

P
|
P

A

L

R
x
K

I
x
H

Q

M

L

Q

K
|
K

D

D

M

L

R
|
R

M

L

I

A

L

V

D

A

E

L

A

G

R

D

A

R

E

V

G

G

L

Q

T

P

L

L

P

V

L

A

A

S

Q

A

T

A

H

N

N

E

E

L

Y

F

L

K

S

G

L

A

V
x
R

A

A

N

A

G

G

H

F

S

G

D

D

V

E

D

D

H

F

S

S

G

A

L

I

L

F

L

K

E

T

L

Y

E

E

H

R

binding glycerol: D67 (≠ N70), G123 (= G125), S124 (≠ G126), K171 (= K172), N175 (≠ Q176), M178 (≠ V179), L203 (≠ R204), G207 (≠ L208), A212 (≠ G213), N213 (≠ S214), F216 (≠ L217), A217 (≠ E218), F232 (≠ A233), K235 (≠ R236), H236 (≠ I237), K239 (= K240), R242 (= R243), R269 (≠ V270)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G12), L9 (≠ I13), G10 (= G14), I11 (≠ L15), M12 (= M16), N31 (= N35), R32 (= R36), S33 (≠ T37), K36 (= K40), M64 (= M67), L65 (= L68), A66 (≠ E69), A70 (≠ V73), E73 (≠ Q76), V74 (= V77), S95 (= S97), T96 (≠ S98), V121 (= V123), G123 (= G125), S124 (≠ G126), K171 (= K172), A231 (≠ G232), F232 (≠ A233), P233 (= P234), H236 (≠ I237), K239 (= K240)

2i9pB Crystal structure of human hydroxyisobutyrate dehydrogenase complexed with NAD+
30% identity, 91% coverage: 8:283/303 of query aligns to 3:288/296 of 2i9pB

query
sites
2i9pB

I

V

A

G

F

F

L
x
I

G
|
G

I
x
L

G
|
G

L
x
N

M
|
M

G

G

T

N

P

P

M

M

T

A

R

K

N

N

L

L

L

M

N

K

A

H

G

G

F

Y

P

P

M

L

T

I

L

I

W
x
Y

N
x
D

R
x
V

T
x
F

S

P

S

D

K

A

C

C

E

K

P

E

F

F

-

Q

-

D

A

A

S

G

E

E

A

Q

V

V

I

V

A

S

E

-

S

S

P

P

A

A

E

D

A

V

V

A

A

E

N

K

A

A

D

D

V

R

V

I

I

I

T

T

M
|
M

L
|
L

E
x
P

N

T

S

S

-

I

D
x
N

V

A

V

I

E

E

Q
x
A

V

Y

L

S

V

G

A

A

Q

N

G

G

A

I

I

L

D

K

A

K

L

V

K

K

P

K

G

G

A

S

L

L

V

L

I

I

D

D

M

S

S
|
S

S
x
T

I

I

Q

D

P

P

S

A

V

V

A

S

R

K

R

E

H

L

G

A

E

K

L

E

V

V

A

E

E

K

Q

M

G

G

A

A

G

V

Y

F

V

M

D

D

A

A

P

P

V
|
V

S

S

G
|
G

T

V

V

G

G

A

A

A

A

R

E

S

A

G

R

N

L

L

S

T

I

F

M

M

A

V

G

G

S

V

E

E

A

D

D

E

V

F

D

A

R

A

A

A

R

Q

P

E

V

L

F

L

E

G

A

C

L

M

G

G

-

S

K

N

C

V

T

V

R

Y

I

C

G

G

P

A

V

V

G

G

A

T

G

G

Q

Q

L

A

A

A

K
|
K

L

I

A

C

N

N

Q

N

A

M

I

L

V

L

G

A

I

I

T

S

I

M

G

I

A

G

V

T

S

A

E

E

A

A

L

M

L

N

L

L

A

G

A

I

K

R

G

L

G

G

A

L

D

D

P

P

A

K

A

L

V

L

R

-

E

-

A

-

L

-

G

-

F

-

A

-

G

-

S

A

R

K

I

I

L

L

E

N

L

M

H

S

G

S

Q

G

R

R

M

C

I

W

D

S

R

S

E

D

-

T

F

Y

A

N

P

P

-

V

-

P

-

G

-

V

-

M

-

D

G

G

A

V

P

P

A

S

-

A

-

N

-

Y

-

Q

-

G

-
x
F

-

G

-

T

R

T

I
x
L

Q

M

L

A

K
|
K

D
|
D

M

L

R

G

M

L

I

A

L

Q

D

D

E

S

A

A

R

T

A

S

E

T

G

K

L

S

T

P

L

I

P

L

L

L

A

G

Q

S

Q

L

T

A

H

H

N

Q

E

I

Y

Y

L

R

S

M

L

M

V

C

A

A

N

K

G

G

H

Y

S

S

D

K

V

K

D

D

H

F

S

S

G

S

L

V

L

F

binding nicotinamide-adenine-dinucleotide: I6 (≠ L11), G7 (= G12), L8 (≠ I13), G9 (= G14), N10 (≠ L15), M11 (= M16), Y29 (≠ W34), D30 (≠ N35), V31 (≠ R36), F32 (≠ T37), M63 (= M67), L64 (= L68), P65 (≠ E69), N69 (≠ D72), A73 (≠ Q76), S94 (= S97), T95 (≠ S98), V120 (= V123), G122 (= G125), G123 (= G126), K170 (= K172), F238 (vs. gap), L242 (≠ I237), K245 (= K240), D246 (= D241)

5y8oB Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + NAD + 3-hydroxy propionate (3-hp) (see paper)
35% identity, 92% coverage: 8:287/303 of query aligns to 5:290/291 of 5y8oB

query
sites
5y8oB

I

I

A

A

F

F

L
|
L

G
|
G

I

L

G
|
G

L
x
N

M
|
M

G

G

T

A

P

P

M

M

T

S

R

A

N

N

L

L

L

V

N

G

A

A

G

G

F

H

P

V

M

V

T

R

L

G

W
x
F

N
x
D

R
x
P

T
x
A

S

P

S

T

K

A

C

A

E

S

P

G

F

A

A

A

S

A

E

H

A

G

V

V

-

A

I

V

A

F

E

R

S

S

P

A

A

P

E

E

A

A

V

V

A

A

N

E

A

A

D

D

V

V

I

I

T

T

M
|
M

L
|
L

E
x
P

N

T

S

G

D

E

V
|
V

V

V

E

R

Q

R

V

C

L

Y

V

-

A

-

Q

T

G

D

A

V

I

L

D

A

A

A

L

A

K

R

P

P

G

A

A

T

L

L

V

F

I

I

D

D

M

S

S
|
S

S
x
T

I

I

Q

S

P

V

S

T

V

D

A

A

R

R

R

E

H

V

G

H

E

A

L

L

V

A

A

E

E

S

Q

H

G

G

A

M

G

L

Y

Q

V

L

D

D

A

A

P

P

V
|
V

S
|
S

G
|
G

T

V

V

K

G

G

A

A

E

A

A

A

R

T

L

L

S

A

I

F

M

M

A

V

G

G

S

D

E

E

A

S

D

T

V

L

D

R

R

R

A

A

R

R

P

P

V

V

F

L

E
|
E

A

P

L

M

-
x
A

G
|
G

K
|
K

C
x
I

T

I

R

H

I

C

G

G

P

A

V

A

G

G

A

A

G

G

Q

Q

L

A

A

A

K
|
K

L

V

A

C

N

N

Q

N

A

M

I

V

V

L

G

A

I

V

T

Q

I

Q

G

I

A

A

V

I

S

A

E

E

A

A

L

F

L

V

L

L

A

A

A

E

K

K

G

L

G

G

A

L

D

S

P

A

A

Q

A

S

V

L

R

F

E

D

A

V

L

I

L

T

G

G

G

-

F

-

A

A

G

T

S

G

R

N

I

C

L
x
W

E

A

L

V

H

H

G

T

Q

N

R

C

M

P

I

V

-

P

-

G

-

P

-

V

-

P

-

T

-

S

-

P

-

A

D

N

R

N

E

D

F

F

A

K

P

P

G

G

A
x
F

P

S

A

T

R

A

I
x
L

Q

M

L

N

K
|
K

D

D

M

L

R

G

M

L

I

A

L

M

D

D

E

A

A

V

R

A

A

A

E

T

G

G

L

A

T

T

L

A

P

P

L

L

A

G

Q

S

Q

H

T

A

H

A

N

D

E

I

Y

Y

L

A

S

K

L

F

V

A

A

A

N

D

G

-

H

H

S

A

D

D

V

L

D

D

H

F

S

S

G

A

L

V

L

I

L

H

E

T

L

L

E

R

binding 3-hydroxy-propanoic acid: S120 (= S124), G121 (= G125), W212 (≠ L217), F237 (≠ A233)
binding (2~{S})-2-methylpentanedioic acid: E150 (= E154), A153 (vs. gap), G154 (= G157), K155 (= K158), I156 (≠ C159)
binding nicotinamide-adenine-dinucleotide: L8 (= L11), G9 (= G12), G11 (= G14), N12 (≠ L15), M13 (= M16), F31 (≠ W34), D32 (≠ N35), P33 (≠ R36), A34 (≠ T37), M65 (= M67), L66 (= L68), P67 (≠ E69), V71 (= V73), S93 (= S97), T94 (≠ S98), V119 (= V123), G122 (= G126), K169 (= K172), L241 (≠ I237), K244 (= K240)

5y8kA Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + l-serine (see paper)
35% identity, 92% coverage: 8:287/303 of query aligns to 4:289/290 of 5y8kA

query
sites
5y8kA

I

I

A

A

F

F

L

L

G

G

I

L

G

G

L

N

M

M

G

G

T

A

P

P

M

M

T

S

R

A

N

N

L

L

L

V

N

G

A

A

G

G

F

H

P

V

M

V

T

R

L

G

W

F

N

D

R

P

T

A

S

P

S

T

K

A

C

A

E

S

P

G

F

A

A

A

S

A

E

H

A

G

V

V

-

A

I

V

A

F

E

R

S

S

P

A

A

P

E

E

A

A

V

V

A

A

N

E

A

A

D

D

V

V

I

I

T

T

M

M

L

L

E

P

N

T

S

G

D

E

V

V

E

R

Q

R

V

C

L

Y

V

-

A

-

Q

T

G

D

A

V

I

L

D

A

A

A

L

A

K

R

P

P

G

A

A

T

L

L

V

F

I

I

D

D

M

S

S

S

S
x
T

I

I

Q

S

P

V

S

T

V

D

A

A

R

R

R

E

H

V

G

H

E

A

L

L

V

A

A

E

E

S

Q

H

G

G

A

M

G

L

Y

Q

V

L

D

D

A

A

P

P

V

V

S

S

G

G

T

V

V

K

G

G

A

A

E

A

A

A

R

T

L

L

S

A

I

F

M

M

A

V

G

G

S

D

E

E

A

S

D

T

V

L

D

R

R

R

A

A

R
|
R

P

P

V

V

F

L

E
|
E

A

P

L

M

-
x
A

G
|
G

K
|
K

C
x
I

T

I

R

H

I

C

G

G

P

A

V

A

G

G

A

A

G

G

Q

Q

L

A

A

A

K
|
K

L

V

A

C

N

N

Q

N

A

M

I

V

V

L

G

A

I

V

T

Q

I

Q

G

I

A

A

V

I

S

A

E

E

A

A

L

F

L

V

L

L

A

A

A

E

K

K

G

L

G

G

A

L

D

S

P

A

A

Q

A

S

V

L

R

F

E

D

A

V

L

I

L

T

G

G

G

-

F

-

A

A

G

T

S

G

R

N

I

C

L

W

E

A

L

V

H

H

G

T

Q

N

R

C

M

P

I

V

-

P

-

G

-

P

-

V

-

P

-

T

-

S

-

P

-

A

D

N

R

N

E

D

F

F

A

K

P

P

G

G

A
x
F

P

S

A

T

R

A

I
x
L

Q

M

L

N

K
|
K

D
|
D

M

L

R

G

M

L

I

A

L

M

D

D

E

A

A

V

R

A

A

A

E

T

G

G

L

A

T

T

L

A

P

P

L

L

A

G

Q

S

Q

H

T

A

H

A

N

D

E

I

Y

Y

L

A

S

K

L

F

V

A

A

A

N

D

G

-

H

H

S

A

D

D

V

L

D

D

H

F

S

S

G

A

L

V

L

I

L

H

E

T

L

L

E

R

binding (2~{S})-2-methylpentanedioic acid: R145 (= R150), E149 (= E154), A152 (vs. gap), G153 (= G157), K154 (= K158), I155 (≠ C159)
binding serine: T93 (≠ S98), K168 (= K172), F236 (≠ A233), L240 (≠ I237), K243 (= K240), D244 (= D241)

5y8jB Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + (r)-3-hydroxyisobutyrate (r-hiba) (see paper)
35% identity, 92% coverage: 8:287/303 of query aligns to 5:290/291 of 5y8jB

query
sites
5y8jB

I

I

A

A

F

F

L

L

G

G

I

L

G

G

L

N

M

M

G

G

T

A

P

P

M

M

T

S

R

A

N

N

L

L

L

V

N

G

A

A

G

G

F

H

P

V

M

V

T

R

L

G

W

F

N

D

R

P

T

A

S

P

S

T

K

A

C

A

E

S

P

G

F

A

A

A

S

A

E

H

A

G

V

V

-

A

I

V

A

F

E

R

S

S

P

A

A

P

E

E

A

A

V

V

A

A

N

E

A

A

D

D

V

V

I

I

T

T

M

M

L

L

E

P

N

T

S

G

D

E

V

V

E

R

Q

R

V

C

L

Y

V

-

A

-

Q

T

G

D

A

V

I

L

D

A

A

A

L

A

K

R

P

P

G

A

A

T

L

L

V

F

I

I

D

D

M

S

S

S

S

T

I

I

Q

S

P

V

S

T

V

D

A

A

R

R

R

E

H

V

G

H

E

A

L

L

V

A

A

E

E

S

Q

H

G

G

A

M

G

L

Y

Q

V

L

D

D

A

A

P

P

V

V

S
|
S

G
|
G

G

G

T

V

V

K

G

G

A

A

E

A

A
|
A

R

T

L

L

S

A

I

F

M

M

A

V

G

G

S

D

E

E

A

S

D

T

V

L

D

R

R

R

A

A

R

R

P

P

V

V

F

L

E
|
E

A
x
P

L

M

-
x
A

G
|
G

K

K

C
x
I

T

I

R

H

I

C

G

G

P

A

V

A

G

G

A

A

G

G

Q

Q

L

A

A

A

K

K

L

V

A

C

N

N

Q

N

A

M

I

V

V

L

G

A

I

V

T

Q

I

Q

G

I

A

A

V

I

S

A

E

E

A

A

L

F

L

V

L

L

A

A

A

E

K

K

G

L

G

G

A

L

D

S

P

A

A

Q

A

S

V

L

R

F

E

D

A

V

L

I

L

T

G

G

G

-

F

-

A

A

G

T

S

G

R

N

I

C

L
x
W

E

A

L

V

H

H

G

T

Q

N

R

C

M

P

I

V

-

P

-

G

-

P

-

V

-

P

-

T

-

S

-

P

-

A

D

N

R

N

E

D

F

F

A

K

P

P

G

G

A
x
F

P

S

A

T

R

A

I

L

Q

M

L

N

K

K

D

D

M

L

R

G

M

L

I

A

L

M

D

D

E

A

A

V

R

A

A

A

E

T

G

G

L

A

T

T

L

A

P

P

L

L

A

G

Q

S

Q

H

T

A

H

A

N

D

E

I

Y

Y

L

A

S

K

L

F

V

A

A

A

N

D

G

-

H

H

S

A

D

D

V

L

D

D

H

F

S

S

G

A

L

V

L

I

L

H

E

T

L

L

E

R

binding (2~{S})-2-methylpentanedioic acid: A129 (= A133), E150 (= E154), P151 (≠ A155), A153 (vs. gap), G154 (= G157), I156 (≠ C159)
binding (2r)-3-hydroxy-2-methylpropanoic acid: S120 (= S124), G121 (= G125), W212 (≠ L217), F237 (≠ A233)

5y8iB Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + (s)-3-hydroxyisobutyrate (s-hiba) (see paper)
35% identity, 92% coverage: 8:287/303 of query aligns to 5:290/291 of 5y8iB

query
sites
5y8iB

I

I

A

A

F

F

L

L

G

G

I

L

G

G

L

N

M

M

G

G

T

A

P

P

M

M

T

S

R

A

N

N

L

L

L

V

N

G

A

A

G

G

F

H

P

V

M

V

T

R

L

G

W

F

N

D

R

P

T

A

S

P

S

T

K

A

C

A

E

S

P

G

F

A

A

A

S

A

E

H

A

G

V

V

-

A

I

V

A

F

E

R

S

S

P

A

A

P

E

E

A

A

V

V

A

A

N

E

A

A

D

D

V

V

I

I

T

T

M

M

L

L

E

P

N

T

S

G

D

E

V

V

E

R

Q

R

V

C

L

Y

V

-

A

-

Q

T

G

D

A

V

I

L

D

A

A

A

L

A

K

R

P

P

G

A

A

T

L

L

V

F

I

I

D

D

M

S

S

S

S

T

I

I

Q

S

P

V

S

T

V

D

A

A

R

R

R

E

H

V

G

H

E

A

L

L

V

A

A

E

E

S

Q

H

G

G

A

M

G

L

Y

Q

V

L

D

D

A

A

P

P

V

V

S

S

G
|
G

G

G

T

V

V

K

G

G

A

A

E

A

A

A

R

T

L

L

S

A

I

F

M

M

A

V

G

G

S

D

E

E

A

S

D

T

V

L

D

R

R

R

A

A

R

R

P

P

V

V

F

L

E
|
E

A

P

L

M

-
x
A

G
|
G

K
|
K

C
x
I

T

I

R

H

I

C

G

G

P

A

V

A

G

G

A

A

G

G

Q

Q

L

A

A

A

K

K

L

V

A

C

N

N

Q

N

A

M

I

V

V

L

G

A

I

V

T

Q

I

Q

G

I

A

A

V

I

S

A

E

E

A

A

L

F

L

V

L

L

A

A

A

E

K

K

G

L

G

G

A

L

D

S

P

A

A

Q

A

S

V

L

R

F

E

D

A

V

L

I

L

T

G

G

G

-

F

-

A

A

G

T

S

G

R

N

I

C

L
x
W

E

A

L

V

H

H

G

T

Q

N

R

C

M

P

I

V

-

P

-

G

-

P

-

V

-

P

-

T

-

S

-

P

-

A

D

N

R

N

E

D

F

F

A

K

P

P

G

G

A

F

P

S

A

T

R

A

I

L

Q

M

L

N

K

K

D

D

M

L

R

G

M

L

I

A

L

M

D

D

E

A

A

V

R

A

A

A

E

T

G

G

L

A

T

T

L

A

P

P

L

L

A

G

Q

S

Q

H

T

A

H

A

N

D

E

I

Y

Y

L

A

S

K

L

F

V

A

A

A

N

D

G

-

H

H

S

A

D

D

V

L

D

D

H

F

S

S

G

A

L

V

L

I

L

H

E

T

L

L

E

R

binding (2~{S})-2-methylpentanedioic acid: E150 (= E154), A153 (vs. gap), G154 (= G157), K155 (= K158), I156 (≠ C159)
binding (2S)-2-methyl-3-oxidanyl-propanoic acid: G121 (= G125), W212 (≠ L217)

5y8hA Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + NAD+ (see paper)
35% identity, 92% coverage: 8:287/303 of query aligns to 3:288/291 of 5y8hA

query
sites
5y8hA

I

I

A

A

F

F

L

L

G
|
G

I

L

G
|
G

L
x
N

M
|
M

G

G

T

A

P

P

M

M

T

S

R

A

N

N

L

L

L

V

N

G

A

A

G

G

F

H

P

V

M

V

T

R

L

G

W
x
F

N
x
D

R
x
P

T
x
A

S

P

S

T

K

A

C

A

E

S

P

G

F

A

A

A

S

A

E

H

A

G

V

V

-

A

I

V

A

F

E

R

S

S

P

A

A

P

E

E

A

A

V

V

A

A

N

E

A

A

D

D

V

V

I

I

T

T

M
|
M

L
|
L

E
x
P

N

T

S

G

D

E

V
|
V

V

V

E

R

Q

R

V

C

L

Y

V

-

A

-

Q

T

G

D

A

V

I

L

D

A

A

A

L

A

K

R

P

P

G

A

A

T

L

L

V

F

I

I

D

D

M

S

S
|
S

S
x
T

I

I

Q

S

P

V

S

T

V

D

A

A

R

R

R

E

H

V

G

H

E

A

L

L

V

A

A

E

E

S

Q

H

G

G

A

M

G

L

Y

Q

V

L

D

D

A

A

P

P

V
|
V

S

S

G

G

G
|
G

T

V

V

K

G

G

A

A

E

A

A

A

R

T

L

L

S

A

I

F

M

M

A

V

G

G

S

D

E

E

A

S

D

T

V

L

D

R

R

R

A

A

R
|
R

P

P

V

V

F

L

E
|
E

A

P

L

M

-
x
A

G
|
G

K
|
K

C

I

T

I

R

H

I

C

G

G

P

A

V

A

G

G

A

A

G

G

Q

Q

L

A

A

A

K
|
K

L

V

A

C

N

N

Q

N

A

M

I

V

V

L

G

A

I

V

T

Q

I

Q

G

I

A

A

V

I

S

A

E

E

A

A

L

F

L

V

L

L

A

A

A

E

K

K

G

L

G

G

A

L

D

S

P

A

A

Q

A

S

V

L

R

F

E

D

A

V

L

I

L

T

G

G

G

-

F

-

A

A

G

T

S

G

R

N

I

C

L

W

E

A

L

V

H

H

G

T

Q

N

R

C

M

P

I

V

-

P

-

G

-

P

-

V

-

P

-

T

-

S

-

P

-

A

D

N

R

N

E

D

F

F

A

K

P

P

G

G

A

F

P

S

A

T

R

A

I
x
L

Q

M

L

N

K
|
K

D

D

M

L

R

G

M

L

I

A

L

M

D

D

E

A

A

V

R

A

A

A

E

T

G

G

L

A

T

T

L

A

P

P

L

L

A

G

Q

S

Q

H

T

A

H

A

N

D

E

I

Y

Y

L

A

S

K

L

F

V

A

A

A

N

D

G

-

H

H

S

A

D

D

V

L

D

D

H

F

S

S

G

A

L

V

L

I

L

H

E

T

L

L

E

R

binding (2~{S})-2-methylpentanedioic acid: R144 (= R150), E148 (= E154), A151 (vs. gap), G152 (= G157), K153 (= K158)
binding nicotinamide-adenine-dinucleotide: G7 (= G12), G9 (= G14), N10 (≠ L15), M11 (= M16), F29 (≠ W34), D30 (≠ N35), P31 (≠ R36), A32 (≠ T37), M63 (= M67), L64 (= L68), P65 (≠ E69), V69 (= V73), S91 (= S97), T92 (≠ S98), V117 (= V123), G120 (= G126), K167 (= K172), L239 (≠ I237), K242 (= K240)

5y8iA Mycobacterium tuberculosis 3-hydroxyisobutyrate dehydrogenase (mthibadh) + (s)-3-hydroxyisobutyrate (s-hiba) (see paper)
35% identity, 92% coverage: 8:287/303 of query aligns to 3:288/292 of 5y8iA

query
sites
5y8iA

I

I

A

A

F

F

L

L

G

G

I

L

G

G

L

N

M

M

G

G

T

A

P

P

M

M

T

S

R

A

N

N

L

L

L

V

N

G

A

A

G

G

F

H

P

V

M

V

T

R

L

G

W

F

N

D

R

P

T

A

S
&