SitesBLAST

P93832 3-isopropylmalate dehydrogenase 2, chloroplastic; 3-IPM-DH 2; AtIMDH2; AtIMDH3; IMDH 2; Beta-IPM dehydrogenase 2; Isopropylmalate dehydrogenase 2; AtIMD2; EC 1.1.1.85 from Arabidopsis thaliana (Mouse-ear cress) (see 2 papers)
60% identity, 99% coverage: 2:354/357 of query aligns to 41:394/405 of P93832

query
sites
P93832

K

K

E

R

Y

Y

K

T

V

I

A

T

V

L

I

L

P

P

G

G

D

D

G

G

I

I

G

G

V

P

E

E

I

V

V

V

G

S

E

I

A

A

L

K

K

N

V

V

L

L

E

Q

K

Q

V

A

G

G

A

S

K

L

Y

E

D

G

T

V

K

E

F

F

N

N

F

F

T

R

E

E

V

M

K

P

A

I

G

G

C

A

A

A

I

L

D

D

E

L

F

V

G

G

V

V

P

P

L

L

P

P

N

E

E

E

T

T

L

I

E

S

I

A

C

A

K

K

N

E

S

S

D

D

A

A

V

V

L

L

G

G

A

A

V
x
I

G
|
G

P
x
Y

K
|
K

W
|
W

D
|
D

T
x
N

L
x
N

P
x
E

G
x
K

E
x
H

K
x
L

R
|
R

P
|
P

E
|
E

K

K

A

G

L
|
L

M
x
L

G

Q

L

I

R
|
R

G

A

L

L

G

K

L

V

Y

F

A

A

N

N

L

L

R
|
R

P

P

A

A

K

T

V

V

Y

L

D

P

I

Q

L

L

K

V

S

D

A

A

S

S

P

T

L

L

K

K

E

R

E

E

I

V

I

A

N

-

K

E

G

G

V

V

D

D

L

L

L

M

V

V

R
|
R

E

E

L

L

T

T

G

G

I

I

Y
|
Y

F

F

G

G

E

E

-

P

R

R

G

G

-

I

R

K

D

T

I

N

Q

E

N

N

G

G

I

E

N

E

S

V

A

G

Y

F

D

N

T

T

E

E

R

V

Y

Y

N

A

V

A

E

H

E

E

I

I

K

D

R

R

I

I

A

A

H

R

V

V

A

A

F

F

K

E

A

T

A

A

L

R

K

K

R

R

N

R

K

G

K

K

V

L

T

C

S

S

V

V

D

D

K
|
K

A

A

N
|
N

I
x
V

L

L

E

E

S

A

S

S

R

I

L

L

W

W

R

R

E

K

T

R

V

V

T

T

E

A

V

L

A

A

K

S

E

E

Y

Y

P

P

E

D

V

V

E

E

L

L

N

S

Y

H

L

M

Y

Y

V

V

D
|
D

N
|
N

A

A

M

M

Q

Q

L

L

V

V

R

R

E

D

P

P

S

K

Q

Q

F

F

D

D

V

T

I

I

V

V

T

T

S

N

N

N

I

I

F

F

G

G

D
|
D

I

I

L

L

T

S

D
|
D

E

E

A

A

S

S

M

M

V

I

T

T

G

G

S

S

I

I

G

G

M

M

L

L

P

P

S

S

A

A

S

S

L

L

R

S

N

D

D

S

T

G

F

P

G

G

M

L

Y

F

E
|
E

P
|
P

I
|
I

H
|
H

G
|
G

S
|
S

A
|
A

P
|
P

D
|
D

I
|
I

A
|
A

G
|
G

Q
|
Q

D
|
D

L
x
K

A
|
A

N
|
N

P

P

L

L

A

A

Q

T

I

I

L

L

S

S

V

A

A

A

M

M

M

L

L

L

E

K

Y

Y

S

G

F

L

N

G

M

E

T

E

E

K

A

A

R

K

D

R

V

I

E

E

D

D

A

A

V

V

E

L

K

V

V

A

L

L

N

N

S

N

G

G

Y

F

R

R

T

T

G

G

D

D

I

I

Y

Y

T

S

E

A

G

G

S

T

K

K

K

L

V

V

G

G

T

C

K

K

E

E

M

M

G

G

K

E

L

E

V

V

L

L

114:129 (vs. 75:90, 50% identical) binding NAD(+)
L132 (= L93) mutation to A: Reduced activity toward 3-isopropylmalate.
L133 (≠ M94) Confers substrate specificity; mutation to A: Reduced activity toward 3-isopropylmalate.; mutation to F: Enhanced activity toward 3-(2'-methylthio)-ethylmalate, but reduced catalytic efficiency with 3-isopropylmalate.
R136 (= R97) binding substrate; mutation to A: Loss of activity toward 3-isopropylmalate.; mutation to K: Reduced activity toward 3-isopropylmalate.
R146 (= R107) binding substrate; mutation to A: Reduced activity toward 3-isopropylmalate.; mutation to K: Reduced activity toward 3-isopropylmalate.
R174 (= R136) binding substrate; mutation to A: Loss of activity toward 3-isopropylmalate.; mutation to K: Reduced activity toward 3-isopropylmalate.
Y181 (= Y143) Important for catalysis; mutation Y->A,F,H: Reduced activity toward 3-isopropylmalate.
K232 (= K192) Important for catalysis; mutation to M: Loss of activity toward 3-isopropylmalate.
N234 (= N194) binding NAD(+); mutation N->A,D: Loss of activity toward 3-isopropylmalate.
V235 (≠ I195) mutation to A: Reduced activity toward 3-isopropylmalate.
D264 (= D224) binding Mg(2+); binding substrate; mutation to N: Loss of activity toward 3-isopropylmalate.
N265 (= N225) binding NAD(+)
D288 (= D248) binding Mg(2+); mutation to N: Loss of activity toward 3-isopropylmalate.
D292 (= D252) binding Mg(2+); mutation to N: Reduced activity toward 3-isopropylmalate.
318:334 (vs. 278:294, 94% identical) binding NAD(+)

5j33A Isopropylmalate dehydrogenase in complex with NAD+ (see paper)
60% identity, 99% coverage: 2:354/357 of query aligns to 1:354/360 of 5j33A

query
sites
5j33A

K

K

E

R

Y

Y

K

T

V

I

A

T

V

L

I

L

P

P

G

G

D

D

G

G

I

I

G

G

V

P

E

E

I

V

V

V

G

S

E

I

A

A

L

K

K

N

V

V

L

L

E

Q

K

Q

V

A

G

G

A

S

K

L

Y

E

D

G

T

V

K

E

F

F

N

N

F

F

T

R

E

E

V

M

K

P

A

I

G

G

C

A

A

A

I

L

D

D

E

L

F

V

G

G

V

V

P

P

L

L

P

P

N

E

E

E

T

T

L

I

E

S

I

A

C

A

K

K

N

E

S

S

D

D

A

A

V

V

L

L

G

G

A

A

V
x
I

G

G

P

Y

K

K

W

W

D

D

T

N

L

N

P

E

G

K

E

H

K

L

R

R

P

P

E
|
E

K

K

A

G

L
|
L

M

L

G

Q

L

I

R

R

G

A

L

L

G

K

L

V

Y

F

A

A

N

N

L

L

R

R

P

P

A

A

K

T

V

V

Y

L

D

P

I

Q

L

L

K

V

S

D

A

A

S

S

P

T

L

L

K

K

E

R

E

E

I

V

I

A

N

-

K

E

G

G

V

V

D

D

L

L

L

M

V

V

R

R

E

E

L

L

T

T

G

G

I

I

Y
|
Y

F

F

G

G

E

E

-

P

R

R

G

G

-

I

R

K

D

T

I

N

Q

E

N

N

G

G

I

E

N

E

S

V

A

G

Y

F

D

N

T

T

E

E

R

V

Y

Y

N

A

V

A

E

H

E

E

I

I

K

D

R

R

I

I

A

A

H

R

V

V

A

A

F

F

K

E

A

T

A

A

L

R

K

K

R

R

N

R

K

G

K

K

V

L

T

C

S

S

V

V

D

D

K
|
K

A

A

N

N

I

V

L

L

E

E

S

A

S

S

R

I

L

L

W

W

R

R

E

K

T

R

V

V

T

T

E

A

V

L

A

A

K

S

E

E

Y

Y

P

P

E

D

V

V

E

E

L

L

N

S

Y

H

L

M

Y

Y

V

V

D
|
D

N

N

A

A

M

M

Q

Q

L

L

V

V

R

R

E

D

P

P

S

K

Q

Q

F

F

D

D

V

T

I

I

V

V

T

T

S

N

N

N

I

I

F

F

G

G

D
|
D

I

I

L

L

T

S

D
|
D

E

E

A

A

S

S

M

M

V

I

T

T

G

G

S

S

I
|
I

G

G

M

M

L

L

P

P

S

S

A

A

S

S

L

L

R

S

N

D

D

S

T

G

F

P

G

G

M

L

Y

F

E
|
E

P

P

I

I

H
|
H

G
|
G

S
|
S

A
|
A

P

P

D

D

I
|
I

A

A

G

G

Q

Q

D

D

L

K

A

A

N
|
N

P

P

L

L

A

A

Q

T

I

I

L

L

S

S

V

A

A

A

M

M

M

L

L

L

E

K

Y

Y

S

G

F

L

N

G

M

E

T

E

E

K

A

A

R

K

D

R

V

I

E

E

D

D

A

A

V

V

E

L

K

V

V

A

L

L

N

N

S

N

G

G

Y

F

R

R

T

T

G

G

D
|
D

I

I

Y

Y

T

S

E

A

G

G

S

T

K

K

K

L

V

V

G

G

T

C

K

K

E

E

M

M

G

G

K

E

L

E

V

V

L

L

active site: Y141 (= Y143), K192 (= K192), D224 (= D224), D248 (= D248), D252 (= D252)
binding magnesium ion: D248 (= D248), D252 (= D252)
binding nicotinamide-adenine-dinucleotide: I74 (≠ V75), E89 (= E90), L92 (= L93), I261 (= I261), E278 (= E278), H281 (= H281), G282 (= G282), S283 (= S283), A284 (= A284), I287 (= I287), N294 (= N294), D335 (= D335)

5j32A Isopropylmalate dehydrogenase in complex with isopropylmalate (see paper)
60% identity, 99% coverage: 2:354/357 of query aligns to 11:364/369 of 5j32A

query
sites
5j32A

K

K

E

R

Y

Y

K

T

V

I

A

T

V

L

I
x
L

P

P

G

G

D

D

G

G

I

I

G

G

V

P

E

E

I

V

V

V

G

S

E

I

A

A

L

K

K

N

V

V

L

L

E

Q

K

Q

V

A

G

G

A

S

K

L

Y

E

D

G

T

V

K

E

F

F

N

N

F

F

T

R

E

E

V

M

K

P

A

I

G

G

C

A

A

A

I

L

D

D

E

L

F

V

G

G

V

V

P

P

L

L

P

P

N

E

E

E

T

T

L

I

E

S

I

A

C

A

K

K

N

E

S

S

D

D

A

A

V

V

L

L

G

G

A

A

V

I

G

G

P

Y

K

K

W

W

D

D

T

N

L

N

P

E

G

K

E

H

K

L

R

R

P

P

E

E

K

K

A

G

L

L

M

L

G

Q

L

I

R
|
R

G

A

L

L

G

K

L

V

Y

F

A

A

N

N

L

L

R

R

P

P

A

A

K

T

V

V

Y

L

D

P

I

Q

L

L

K

V

S

D

A

A

S

S

P

T

L

L

K

K

E

R

E

E

I

V

I

A

N

-

K

E

G

G

V

V

D

D

L

L

L

M

V

V

R
|
R

E

E

L

L

T

T

G

G

I

I

Y
|
Y

F

F

G

G

E

E

-

P

R

R

G

G

-

I

R

K

D

T

I

N

Q

E

N

N

G

G

I

E

N

E

S

V

A

G

Y

F

D

N

T

T

E

E

R

V

Y

Y

N

A

V

A

E

H

E

E

I

I

K

D

R

R

I

I

A

A

H

R

V

V

A

A

F

F

K

E

A

T

A

A

L

R

K

K

R

R

N

R

K

G

K

K

V

L

T

C

S

S

V

V

D

D

K
|
K

A

A

N

N

I

V

L

L

E

E

S

A

S

S

R

I

L

L

W

W

R

R

E

K

T

R

V

V

T

T

E

A

V

L

A

A

K

S

E

E

Y

Y

P

P

E

D

V

V

E

E

L

L

N

S

Y

H

L

M

Y

Y

V

V

D
|
D

N

N

A

A

M

M

Q

Q

L

L

V

V

R

R

E

D

P

P

S

K

Q

Q

F

F

D

D

V

T

I

I

V

V

T

T

S

N

N

N

I

I

F

F

G

G

D
|
D

I

I

L

L

T

S

D
|
D

E

E

A

A

S

S

M

M

V

I

T

T

G

G

S

S

I

I

G

G

M

M

L

L

P

P

S

S

A

A

S

S

L

L

R

S

N

D

D

S

T

G

F

P

G

G

M

L

Y

F

E

E

P

P

I

I

H

H

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

Q

Q

D

D

L

K

A

A

N

N

P

P

L

L

A

A

Q

T

I

I

L

L

S

S

V

A

A

A

M

M

M

L

L

L

E

K

Y

Y

S

G

F

L

N

G

M

E

T

E

E

K

A

A

R

K

D

R

V

I

E

E

D

D

A

A

V

V

E

L

K

V

V

A

L

L

N

N

S

N

G

G

Y

F

R

R

T

T

G

G

D

D

I

I

Y

Y

T

S

E

A

G

G

S

T

K

K

K

L

V

V

G

G

T

C

K

K

E

E

M

M

G

G

K

E

L

E

V

V

L

L

active site: L18 (≠ I9), Y151 (= Y143), K202 (= K192), D234 (= D224), D258 (= D248), D262 (= D252)
binding 3-isopropylmalic acid: R106 (= R97), R144 (= R136), Y151 (= Y143), D258 (= D248)
binding magnesium ion: D258 (= D248), D262 (= D252)

Q56268 3-isopropylmalate dehydrogenase; 3-IPM-DH; Beta-IPM dehydrogenase; IMDH; EC 1.1.1.85 from Acidithiobacillus ferrooxidans (Thiobacillus ferrooxidans) (see paper)
57% identity, 99% coverage: 5:357/357 of query aligns to 3:354/358 of Q56268

query
sites
Q56268

K

K

V

I

A

A

V

I

I

F

P

A

G

G

D

D

G

G

I

I

G

G

V

P

E

E

I

I

V

V

G

A

E

A

A

A

L

R

K

Q

V

V

L

L

E

D

K

A

V

V

G

D

A

Q

K

A

Y

A

D

H

T

L

K

G

F

L

N

R

F

C

T

T

E

E

V

G

K

L

A

V

G

G

C

A

A

A

I

L

D

D

E

A

F

S

G

D

V

D

P

P

L

L

P

P

N

A

E

A

T

S

L

L

E

Q

I

L

C

A

K

M

N

A

S

A

D

D

A

A

V

V

L

I

L

L

G

G

A

A

V

V

G

G

P

P

K

R

W

W

D

D

T

A

L

Y

P

P

G

P

E

A

K

K

R

R

P

P

E

E

K

Q

A

G

L

L

M

L

G

R

L

L

R
|
R

G

K

G

G

L

L

G

D

L

L

Y

Y

A

A

N

N

L

L

R
|
R

P

P

A

A

K

Q

V

I

Y

F

D

P

I

Q

L

L

K

L

S

D

A

A

S

S

P

P

L

L

K

R

E

P

E

E

I

L

I

V

N

-

K

R

G

D

V

V

D

D

L

I

L

L

V

V

R
|
R

E

E

L

L

T

T

G

G

G

D

I

I

Y

Y

F

F

G

G

E

Q

-

P

R

R

G

G

R

L

D

E

I

V

Q

I

N

D

G

G

I

K

N

R

S

R

A

G

Y

F

D

N

T

T

E

M

R

V

Y

Y

N

D

V

E

E

D

E

E

I

I

K

R

R

R

I

I

A

A

H

H

V

V

A

A

F

F

K

R

A

A

L

Q

K

G

R

R

N

R

K

K

K

Q

V

L

T

C

S

S

V

V

D

D

K

K

A

A

N

N

I

V

L

L

E

E

S

T

R

R

L

L

W

W

R

R

E

E

T

V

V

V

T

T

E

E

V

V

A

A

K

R

E

D

Y

Y

P

P

E

D

V

V

E

R

L

L

N

S

Y

H

L

M

Y

Y

V

V

D
|
D

N

N

A

A

M

M

Q

Q

L

L

V

I

R

R

E

A

P

P

S

A

Q

Q

F

F

D

D

V

V

I

L

V

L

T

T

S

G

N

N

I

M

F

F

G

G

D
|
D

I

I

L

L

T

S

D

D

E

E

A

A

S

S

M

Q

V

L

T

T

G

G

S

S

I

I

G

G

M

M

L

L

P

P

S

S

A

A

S

S

L

L

R

-

N

G

D

E

T

G

F

R

G

A

M

M

Y

Y

E

E

P

P

I

I

H

H

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

Q

Q

D

D

L

K

A

A

N

N

P

P

L

L

A

A

Q

T

I

I

L

L

S

S

V

V

A

A

M

M

L

L

E

R

Y

H

S

S

F

L

N

N

M

A

T

E

E

P

A

W

A

A

R

Q

D

R

V

V

E

E

D

A

A

A

V

V

E

Q

K

R

V

V

L

L

N

D

S

Q

G

G

Y

L

R

R

T

T

G

A

D

D

I

I

Y

A

T

A

E

P

G

G

S

T

K

P

K

V

V

I

G

G

T

T

K

K

E

A

M

M

G

G

K

A

L

A

V

V

L

V

A

N

E

A

L

L

R95 (= R97) binding substrate
R105 (= R107) binding substrate
R133 (= R136) binding substrate
D222 (= D224) binding Mg(2+); binding substrate
D246 (= D248) binding Mg(2+)

1a05A Crystal structure of the complex of 3-isopropylmalate dehydrogenase from thiobacillus ferrooxidans with 3-isopropylmalate (see paper)
57% identity, 99% coverage: 5:357/357 of query aligns to 3:354/357 of 1a05A

query
sites
1a05A

K

K

V

I

A

A

V

I

I

F

P

A

G

G

D

D

G

G

I

I

G

G

V

P

E

E

I

I

V

V

G

A

E

A

A

A

L

R

K

Q

V

V

L

L

E

D

K

A

V

V

G

D

A

Q

K

A

Y

A

D

H

T

L

K

G

F

L

N

R

F

C

T

T

E

E

V

G

K

L

A

V

G

G

C

A

A

A

I

L

D

D

E

A

F

S

G

D

V

D

P

P

L

L

P

P

N

A

E

A

T

S

L

L

E

Q

I

L

C

A

K

M

N

A

S

A

D

D

A

A

V

V

L

I

L

L

G

G

A

A

V

V

G

G

P

P

K

R

W

W

D

D

T

A

L

Y

P

P

G

P

E

A

K

K

R

R

P

P

E

E

K

Q

A

G

L

L

M

L

G

R

L

L

R
|
R

G

K

G

G

L

L

G

D

L

L

Y

Y

A

A

N

N

L

L

R
|
R

P

P

A

A

K

Q

V

I

Y

F

D

P

I

Q

L

L

K

L

S

D

A

A

S

S

P

P

L

L

K

R

E

P

E

E

I

L

I

V

N

-

K

R

G

D

V

V

D

D

L

I

L

L

V

V

R
|
R

E

E

L

L

T

T

G

G

G

D

I

I

Y
|
Y

F

F

G

G

E

Q

-

P

R

R

G

G

R

L

D

E

I

V

Q

I

N

D

G

G

I

K

N

R

S

R

A

G

Y

F

D

N

T

T

E

M

R

V

Y

Y

N

D

V

E

E

D

E

E

I

I

K

R

R

R

I

I

A

A

H

H

V

V

A

A

F

F

K

R

A

A

L

Q

K

G

R

R

N

R

K

K

K

Q

V

L

T

C

S

S

V

V

D

D

K
|
K

A

A

N

N

I

V

L

L

E

E

S

T

R

R

L

L

W

W

R

R

E

E

T

V

V

V

T

T

E

E

V

V

A

A

K

R

E

D

Y

Y

P

P

E

D

V

V

E

R

L

L

N

S

Y

H

L

M

Y

Y

V

V

D
|
D

N

N

A

A

M

M

Q

Q

L

L

V

I

R

R

E

A

P

P

S

A

Q

Q

F

F

D

D

V

V

I

L

V

L

T

T

S

G

N

N

I

M

F

F

G

G

D
|
D

I

I

L

L

T

S

D
|
D

E

E

A

A

S

S

M

Q

V

L

T

T

G

G

S

S

I

I

G

G

M

M

L

L

P

P

S

S

A

A

S

S

L

L

R

-

N

G

D

E

T

G

F

R

G

A

M

M

Y

Y

E

E

P

P

I

I

H

H

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

Q

Q

D

D

L

K

A

A

N

N

P

P

L

L

A

A

Q

T

I

I

L

L

S

S

V

V

A

A

M

M

L

L

E

R

Y

H

S

S

F

L

N

N

M

A

T

E

E

P

A

W

A

A

R

Q

D

R

V

V

E

E

D

A

A

A

V

V

E

Q

K

R

V

V

L

L

N

D

S

Q

G

G

Y

L

R

R

T

T

G

A

D

D

I

I

Y

A

T

A

E

P

G

G

S

T

K

P

K

V

V

I

G

G

T

T

K

K

E

A

M

M

G

G

K

A

L

A

V

V

L

V

A

N

E

A

L

L

active site: Y140 (= Y143), K190 (= K192), D222 (= D224), D246 (= D248), D250 (= D252)
binding 3-isopropylmalic acid: R95 (= R97), R105 (= R107), R133 (= R136), Y140 (= Y143), D246 (= D248)

Q9FMT1 3-isopropylmalate dehydrogenase 1, chloroplastic; 3-IPM-DH 1; AtIMDH1; IMDH 1; Beta-IPM dehydrogenase 1; Isopropylmalate dehydrogenase 1; AtIMD1; Methylthioalkylmalate dehydrogenase 1; EC 1.1.1.85 from Arabidopsis thaliana (Mouse-ear cress) (see 2 papers)
59% identity, 99% coverage: 2:354/357 of query aligns to 45:398/409 of Q9FMT1

query
sites
Q9FMT1

K

K

E

R

Y

Y

K

N

V

I

A

A

V

L

I

L

P

P

G

G

D

D

G

G

I

I

G

G

V

P

E

E

I

V

V

I

G

S

E

V

A

A

L

K

K

N

V

V

L

L

E

Q

K

K

V

A

G

G

A

S

K

L

Y

E

D

G

T

L

K

E

F

F

N

D

F

F

T

K

E

E

V

M

K

P

A

V

G

G

C

A

A

A

I

L

D

D

E

L

F

V

G

G

V

V

P

P

L

L

P

P

N

E

E

E

T

T

L

F

E

T

I

A

C

A

K

K

N

L

S

S

D

D

A

A

V

I

L

L

G

G

A

A

V

I

G

G

P

Y

K

K

W

W

D

D

T

K

L

N

P

E

G

K

E

H

K

L

R

R

P

P

E

E

K

M

A

A

L

L

M
x
F

G

Y

L

L

R

R

G

R

G

D

L

L

G

K

L

V

Y

F

A

A

N

N

L

L

R

R

P

P

A

A

K

T

V

V

Y

L

D

P

I

Q

L

L

K

V

S

D

A

A

S

S

P

T

L

L

K

K

E

K

E

E

I

V

I

A

N

-

K

E

G

G

V

V

D

D

L

M

V

I

V

V

R

R

E

E

L

L

T

T

G

G

I

I

Y

Y

F

F

G

G

E

E

-

P

R

R

G

G

R

I

D

T

I

I

-

N

Q

E

N

N

G

G

I

E

N

E

S

V

A

G

Y

V

D

S

T

T

E

E

R

I

Y

Y

N

A

V

A

E

H

E

E

I

I

K

D

R

R

I

I

A

A

H

R

V

V

A

A

F

F

K

E

A

T

A

A

L

R

K

K

R

R

N

R

K

G

K

K

V

L

T
x
C

S

S

V

V

D

D

K

K

A

A

N

N

I

V

L

L

E

D

S

A

S

S

R

I

L

L

W

W

R

R

E

K

T

R

V

V

T

T

E

A

V

L

A

A

K

S

E

E

Y

Y

P

P

E

D

V

V

E

E

L

L

N

S

Y

H

L

M

Y

Y

V

V

D

D

N

N

A

A

M

M

Q

Q

L

L

V

I

R

R

E

D

P

P

S

K

Q

Q

F

F

D

D

V

T

I

I

V

V

T

T

S

N

N

N

I

I

F

F

G

G

D

D

I

I

L

L

T

S

D

D

E

E

A

A

S

S

M

M

V

I

T

T

G

G

S

S

I

I

G

G

M

M

L

L

P

P

S

S

A

A

S

S

L

L

R

G

N

E

D

S

T

G

F

P

G

G

M

L

Y

F

E

E

P

P

I

I

H

H

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

Q

Q

D

D

L

K

A

A

N

N

P

P

L

L

A

A

Q

T

I

I

L

L

S

S

V

A

A

A

M

M

M

L

L

L

E

K

Y

Y

S

G

F

L

N

G

M

E

T

E

E

K

A

A

R

K

D

R

V

I

E

E

D

D

A

A

V

V

E

V

K

D

V

A

L

L

N

N

S

K

G

G

Y

F

R

R

T

T

G

G

D

D

I

I

Y

Y

T

S

E

P

G

G

S

N

K

K

K

L

V

V

G

G

T
x
C

K

K

E

E

M

M

G

G

K

E

L

E

V

V

L

L

F137 (≠ M94) Confers substrate specificity; mutation to L: Reduced activity toward 3-(2'-methylthio)-ethylmalate, but enhanced catalytic efficiency with 3-isopropylmalate.
C232 (≠ T188) Essential for redox regulation; mutation to S: Reduced sensitivity to oxidation on enzyme activity regulation.
C390 (≠ T346) Essential for redox regulation; mutation to S: Reduced sensitivity to oxidation on enzyme activity regulation.

Q9SA14 3-isopropylmalate dehydrogenase 3, chloroplastic; 3-IPM-DH 3; AtIMDH2; AtIMDH3; IMDH 3; Beta-IPM dehydrogenase 3; Isopropylmalate dehydrogenase 3; AtIMD3; EC 1.1.1.85 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
59% identity, 99% coverage: 2:354/357 of query aligns to 42:395/404 of Q9SA14

query
sites
Q9SA14

K

K

E

R

Y

Y

K

N

V

I

A

T

V

L

I

L

P

P

G

G

D

D

G

G

I

I

G

G

V

P

E

E

I

V

V

I

G

S

E

V

A

A

L

K

K

N

V

V

L

L

E

Q

K

K

V

A

G

G

A

F

K

L

Y

Q

D

G

T

L

K

E

F

F

N

D

F

F

T

Q

E

E

V

M

K

P

A

F

G

G

C

A

A

A

I

L

D

D

E

L

F

V

G

G

V

V

P

P

L

L

P

P

N

E

E

E

T

T

L

S

E

T

I

A

C

A

K

K

N

Q

S

S

D

D

A

A

V

I

L

L

G

G

A

A

V

I

G

G

P

Y

K

K

W

W

D

D

T

K

L

N

P

E

G

K

E

H

K

L

R

R

P

P

E

E

K

M

A

G

L

L

M
x
L

G

N

L

I

R

R

G

R

G

D

L

L

G

N

L

V

Y

F

A

A

N

N

L

L

R

R

P

P

A

A

K

T

V

V

Y

L

D

P

I

Q

L

L

K

V

S

D

A

A

S

S

P

T

L

L

K

K

E

K

E

E

I

V

I

A

N

-

K

Q

G

G

V

V

D

D

L

M

V

I

V

V

R

R

E

E

L

L

T

T

G

G

I

I

Y

Y

F

F

G

G

E

E

-

P

R

R

G

G

R

I

D

T

I

I

-

N

Q

E

N

N

G

G

I

E

N

E

S

V

A

G

Y

F

D

N

T

T

E

E

R

I

Y

Y

N

A

V

A

E

H

E

E

I

I

K

D

R

R

I

I

A

A

H

R

V

V

A

A

F

F

K

E

A

T

A

A

L

R

K

K

R

R

N

R

K

G

K

K

V

L

T

C

S

S

V

V

D

D

K

K

A

A

N

N

I

V

L

L

E

D

S

A

S

S

R

I

L

L

W

W

R

R

E

K

T

R

V

V

T

T

E

A

V

L

A

A

K

S

E

E

Y

Y

P

P

E

D

V

V

E

E

L

L

N

S

Y

H

L

M

Y

Y

V

V

D

D

N

N

A

A

M

M

Q

Q

L

L

V

V

R

R

E

D

P

P

S

K

Q

Q

F

F

D

D

V

T

I

I

V

V

T

T

S

N

N

N

I

I

F

F

G

G

D

D

I

I

L

L

T

S

D

D

E

E

A

A

S

S

M

M

V

I

T

T

G

G

S

S

I

I

G

G

M

M

L

L

P

P

S

S

A

A

S

S

L

L

R

G

N

E

D

S

T

G

F

P

G

G

M

L

Y

F

E

E

P

P

I

I

H

H

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

Q

Q

D

D

L

K

A

A

N

N

P

P

L

L

A

A

Q

T

I

I

L

L

S

S

V

A

A

A

M

M

M

L

L

L

E

K

Y

Y

S

G

F

L

N

G

M

E

T

E

E

K

A

A

R

K

D

M

V

I

E

E

D

D

A

A

V

V

E

V

K

D

V

A

L

L

N

N

S

K

G

G

Y

F

R

R

T

T

G

G

D

D

I

I

Y

Y

T

S

E

P

G

G

S

N

K

K

K

L

V

V

G

G

T

C

K

K

E

E

M

M

G

G

K

E

L

E

V

V

L

L

L134 (≠ M94) Confers substrate specificity; mutation to F: Enhanced activity toward 3-(2'-methylthio)-ethylmalate, but reduced catalytic efficiency with 3-isopropylmalate.

1cnzA 3-isopropylmalate dehydrogenase (ipmdh) from salmonella typhimurium (see paper)
54% identity, 99% coverage: 2:353/357 of query aligns to 3:355/363 of 1cnzA

query
sites
1cnzA

K

K

E

N

Y

Y

K

H

V

I

A

A

V

V

I

L

P

P

G

G

D

D

G

G

I

I

G

G

V

P

E

E

I

V

V

M

G

A

E

Q

A

A

L

L

K

K

V

V

L

M

E

D

K

A

V

V

G

R

A

S

K

R

Y

F

D

D

T

M

K

R

F

I

N

T

F

T

T

S

E

H

V

Y

K

D

A

V

G

G

C

I

A

A

I

I

D

D

E

N

F

H

G

G

V

H

P

P

L

L

P

P

N

K

E

A

T

T

L

V

E

E

I

G

C

C

K

E

N

Q

S

A

D

D

A

A

V

I

L

L

L

F

G

G

A

S

V

V

G

G

P

P

K

K

W

W

D

E

T

N

L

L

P

P

G

P

E

E

K

S

R

Q

P

P

E

E

K

R

-

G

A

A

L

L

M

L

G

P

L

L

R

R

G

K

G

H

L

F

G

K

L

L

Y

F

A

S

N

N

L

L

R

R

P

P

A

A

K

K

V

L

Y

Y

D

Q

I

G

L

L

K

E

S

A

A

F

S

C

P

P

L

L

K

R

E

A

E

D

I

I

I

A

N

A

K

N

G

G

V

F

D

D

L

I

L

L

V

C

V

V

R

R

E

E

L

L

T

T

G

G

I

I

Y
|
Y

F

F

G

G

E

Q

-

P

R

K

G

G

R

R

D

E

I

G

Q

S

N

G

G

Q

I

Y

N

E

S

K

A

A

Y

F

D

D

T

T

E

E

R

V

Y

Y

N

H

V

R

E

F

E

E

I

I

K

E

R

R

I

I

A

A

H

R

V

I

A

A

F

F

K

E

A

S

A

A

L

R

K

K

R

R

N

R

K

R

K

K

V

V

T

T

S

S

V

I

D

D

K
|
K

A

A

N

N

I

V

L

L

E

Q

S

S

R

I

L

L

W

W

R

R

E

E

T

I

V

V

T

N

E

D

V

V

A

A

K

K

E

T

Y

Y

P

P

E

D

V

V

E

E

L

L

N

A

Y

H

L

M

Y

Y

V

I

D
|
D

N

N

A

A

A

T

M

M

Q

Q

L

L

V

I

R

K

E

D

P

P

S

S

Q

Q

F

F

D

D

V

V

I

L

V

L

T

C

S

S

N

N

I

L

F

F

G

G

D
|
D

I

I

L

L

T

S

D
|
D

E

E

A

C

S

A

M

M

V

I

T

T

G

G

S

S

I

M

G

G

M

M

L

L

P

P

S

S

A

A

S

S

L

L

R

N

N

E

D

Q

T

G

F

F

G

G

M

L

Y

Y

E

E

P

P

I

A

H

G

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

Q

K

D

N

L

I

A

A

N

N

P

P

L

I

A

A

Q

Q

I

I

L

L

S

S

V

L

A

A

M

L

L

L

E

R

Y

Y

S

S

F

L

N

D

M

A

T

N

E

D

A

A

R

T

D

A

V

I

E

E

D

Q

A

A

V

I

E

N

K

R

V

A

L

L

N

E

S

E

G

G

Y

V

R

R

T

T

G

G

D

D

I

L

Y

-

T

A

E

R

G

G

S

A

K

A

V

V

G

S

T

T

K

D

E

E

M

M

G

G

K

D

L

I

V

I

active site: Y145 (= Y143), K195 (= K192), D227 (= D224), D251 (= D248)
binding manganese (ii) ion: D251 (= D248), D255 (= D252)

P37412 3-isopropylmalate dehydrogenase; 3-IPM-DH; Beta-IPM dehydrogenase; IMDH; EC 1.1.1.85 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) (see paper)
54% identity, 99% coverage: 2:353/357 of query aligns to 3:355/363 of P37412

query
sites
P37412

K

K

E

N

Y

Y

K

H

V

I

A

A

V

V

I

L

P

P

G

G

D

D

G

G

I

I

G

G

V

P

E

E

I

V

V

M

G

A

E

Q

A

A

L

L

K

K

V

V

L

M

E

D

K

A

V

V

G

R

A

S

K

R

Y

F

D

D

T

M

K

R

F

I

N

T

F

T

T

S

E

H

V

Y

K

D

A

V

G

G

C

I

A

A

I

I

D

D

E

N

F

H

G

G

V

H

P

P

L

L

P

P

N

K

E

A

T

T

L

V

E

E

I

G

C

C

K

E

N

Q

S

A

D

D

A

A

V

I

L

L

L

F

G

G

A

S

V

V

G

G

P

P

K

K

W

W

D

E

T

N

L

L

P

P

G

P

E

E

K

S

R

Q

P

P

E

E

K

R

-

G

A

A

L

L

M

L

G

P

L

L

R

R

G

K

G

H

L

F

G

K

L

L

Y

F

A

S

N

N

L

L

R

R

P

P

A

A

K

K

V

L

Y

Y

D

Q

I

G

L

L

K

E

S

A

A

F

S

C

P

P

L

L

K

R

E

A

E

D

I

I

I

A

N

A

K

N

G

G

V

F

D

D

L

I

L

L

V

C

V

V

R

R

E

E

L

L

T

T

G

G

I

I

Y

Y

F

F

G

G

E

Q

-

P

R

K

G

G

R

R

D

E

I

G

Q

S

N

G

G

Q

I

Y

N

E

S

K

A

A

Y

F

D

D

T

T

E

E

R

V

Y

Y

N

H

V

R

E

F

E

E

I

I

K

E

R

R

I

I

A

A

H

R

V

I

A

A

F

F

K

E

A

S

A

A

L

R

K

K

R

R

N

R

K

R

K

K

V

V

T

T

S

S

V

I

D

D

K

K

A

A

N

N

I

V

L

L

E

Q

S

S

R

I

L

L

W

W

R

R

E

E

T

I

V

V

T

N

E

D

V

V

A

A

K

K

E

T

Y

Y

P

P

E

D

V

V

E

E

L

L

N

A

Y

H

L

M

Y

Y

V

I

D
|
D

N

N

A

A

A

T

M

M

Q

Q

L

L

V

I

R

K

E

D

P

P

S

S

Q

Q

F

F

D

D

V

V

I

L

V

L

T

C

S

S

N

N

I

L

F

F

G

G

D
|
D

I

I

L

L

T

S

D
|
D

E

E

A

C

S

A

M

M

V

I

T

T

G

G

S

S

I

M

G

G

M

M

L

L

P

P

S

S

A

A

S

S

L

L

R

N

N

E

D

Q

T

G

F

F

G

G

M

L

Y

Y

E

E

P

P

I

A

H

G

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

Q

K

D

N

L

I

A

A

N

N

P

P

L

I

A

A

Q

Q

I

I

L

L

S

S

V

L

A

A

M

L

L

L

E

R

Y

Y

S

S

F

L

N

D

M

A

T

N

E

D

A

A

R

T

D

A

V

I

E

E

D

Q

A

A

V

I

E

N

K

R

V

A

L

L

N

E

S

E

G

G

Y

V

R

R

T

T

G

G

D

D

I

L

Y

-

T

A

E

R

G

G

S

A

K

A

V

V

G

S

T

T

K

D

E

E

M

M

G

G

K

D

L

I

V

I

D227 (= D224) binding Mn(2+)
D251 (= D248) binding Mn(2+)
D255 (= D252) binding Mn(2+)

4xxvA Crystal structure of 3-isopropylmalate dehydrogenase from burkholderia thailandensis in complex with NAD
57% identity, 99% coverage: 5:357/357 of query aligns to 3:356/356 of 4xxvA

query
sites
4xxvA

K

K

V

I

A

A

V

V

I

L

P

P

G

G

D

D

G

G

I

I

G

G

V

P

E

E

I

I

V

V

G

N

E

E

A

A

L

V

K

K

V

V

L

L

E

N

K

A

V

L

G

-

A

-

K

-

Y

-

D

D

T

E

K

K

F

F

N

E

F

L

T

E

E

H

V

A

K

P

A

V

G

G

C

A

A

G

I

Y

D

E

E

A

F

S

G

G

V

H

P

P

L

L

P

P

N

D

E

A

T

T

L

L

E

A

I

L

C

A

K

K

N

E

S

A

D

D

A

A

V

I

L

L

L

F

G

G

A

A

V

V

G

G

G

D

P

W

K

K

W

Y

D

D

T

S

L

L

P

E

G

R

E

A

K

L

R

R

P

P

E

E

K

Q

A

A

L

I

M

L

G

G

L

L

R

R

G

K

G

H

L

L

G

E

L

L

Y

F

A

A

N

N

L

F

R

R

P

P

A

A

K

I

V

C

Y

Y

D

P

I

Q

L

L

K

V

S

D

A

A

S

S

P

P

L

L

K

K

E

P

E

E

I

L

I

V

N

-

K

A

G

G

V

L

D

D

L

I

L

L

V

I

V

V

R

R

E

E

L

L

T

N

G

G

G

D

I

I

Y
|
Y

F

F

G

G

E

Q

-

P

R

R

G

G

-

V

R

R

D

A

I

A

Q

P

N

D

G

G

I

P

-

F

-

A

-

G

-

E

N

R

S

E

A

G

Y

F

D

D

T

T

E

M

R

R

Y

Y

N

S

V

E

E

P

E

E

I

V

K

R

R

R

I

I

A

A

H

H

V

V

A

A

F

F

K

Q

A

A

L

Q

K

K

R

R

N

A

K

K

V

L

T

L

S

S

V

V

D

D

K
|
K

A

S

N
|
N

I

V

L

L

E

E

S

T

S

S

R

Q

L

F

W

W

R

R

E

D

T

V

V

M

T

I

E

D

V

V

A

S

K

K

E

E

Y

Y

P

A

E

D

V

V

E

E

L

L

N

S

Y

H

L

M

Y
|
Y

V

V

D
|
D

N
|
N

A

A

M

M

Q

Q

L

L

V

A

R

K

E

A

P

P

S

K

Q

Q

F

F

D

D

V

V

I

I

V

V

T

T

S

G

N

N

I

M

F

F

G

G

D
|
D

I

I

L

L

T

S

D
|
D

E

E

A

A

S

S

M

M

V

L

T

T

G

G

S

S

I

I

G

G

M

M

L

L

P

P

S

S

A

A

S

S

L

L

R

D

N

K

D

N

T

N

F

K

G

G

M

L

Y

Y

E

E

P

P

I

S

H

H

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

Q

K

D

G

L

I

A

A

N

N

P

P

L

L

A

A

Q

T

I

I

L

L

S

S

V

A

A

A

M

M

M

L

L

L

E

R

Y

Y

S

S

F

L

N

N

M

R

T

A

E

E

A

Q

A

A

R

D

D

R

V

I

E

E

D

R

A

A

V

V

E

K

K

T

V

V

L

L

N

E

S

Q

G

G

Y

Y

R

R

T

T

G

G

D

D

I

I

Y

A

T

T

E

P

G

G

S

C

K

R

K

Q

V

V

G

G

T

T

K

A

E

A

M

M

G

G

K

D

L

A

V

V

L

V

A

A

E

A

L

L

active site: Y136 (= Y143), K191 (= K192), D223 (= D224), D247 (= D248), D251 (= D252)
binding nicotinamide-adenine-dinucleotide: N193 (= N194), Y221 (= Y222), N224 (= N225)

4iwhA Crystal structure of a 3-isopropylmalate dehydrogenase from burkholderia pseudomallei
57% identity, 99% coverage: 5:357/357 of query aligns to 5:358/358 of 4iwhA

query
sites
4iwhA

K

K

V

I

A

A

V

V

I

L

P

P

G

G

D

D

G

G

I

I

G

G

V

P

E

E

I

I

V

V

G

N

E

E

A

A

L

V

K

K

V

V

L

L

E

N

K

A

V

L

G

-

A

-

K

-

Y

-

D

D

T

E

K

K

F

F

N

E

F

L

T

E

E

H

V

A

K

P

A

V

G

G

C

A

A

G

I

Y

D

E

E

A

F

S

G

G

V

H

P

P

L

L

P

P

N

D

E

A

T

T

L

L

E

A

I

L

C

A

K

K

N

E

S

A

D

D

A

A

V

I

L

L

L

F

G

G

A

A

V

V

G

G

G

D

P

W

K

K

W

Y

D

D

T

S

L

L

P

E

G

R

E

A

K

L

R

R

P

P

E

E

K

Q

A

A

L

I

M

L

G

G

L

L

R

R

G

K

G

H

L

L

G

E

L

L

Y

F

A

A

N

N

L

F

R

R

P

P

A

A

K

I

V

C

Y

Y

D

P

I

Q

L

L

K

V

S

D

A

A

S

S

P

P

L

L

K

K

E

P

E

E

I

L

I

V

N

-

K

A

G

G

V

L

D

D

L

I

L

L

V

I

V

V

R

R

E

E

L

L

T

N

G

G

G

D

I

I

Y
|
Y

F

F

G

G

E

Q

-

P

R

R

G

G

-

V

R

R

D

A

I

A

Q

P

N

D

G

G

I

P

-

F

-

A

-

G

-

E

N

R

S

E

A

G

Y

F

D

D

T

T

E

M

R

R

Y

Y

N

S

V

E

E

P

E

E

I

V

K

R

R

R

I

I

A

A

H

H

V

V

A

A

F

F

K

Q

A

A

L

Q

K

K

R

R

N

A

K

K

V

L

T

L

S

S

V

V

D

D

K
|
K

A

S

N

N

I

V

L

L

E

E

S

T

S

S

R

Q

L

F

W

W

R

R

E

D

T

V

V

M

T

I

E

D

V

V

A

S

K

K

E

E

Y

Y

P

A

E

D

V

V

E

E

L

L

N

S

Y

H

L

M

Y

Y

V

V

D
|
D

N

N

A

A

M

M

Q

Q

L

L

V

A

R

K

E

A

P

P

S

K

Q

Q

F

F

D

D

V

V

I

I

V

V

T

T

S

G

N

N

I

M

F

F

G

G

D
|
D

I

I

L

L

T

S

D
|
D

E

E

A

A

S

S

M

M

V

L

T

T

G

G

S

S

I

I

G

G

M

M

L

L

P

P

S

S

A

A

S

S

L

L

R

D

N

K

D

N

T

N

F

K

G

G

M

L

Y

Y

E

E

P

P

I

S

H

H

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

Q

K

D

G

L

I

A

A

N

N

P

P

L

L

A

A

Q

T

I

I

L

L

S

S

V

A

A

A

M

M

M

L

L

L

E

R

Y

Y

S

S

F

L

N

N

M

R

T

A

E

E

A

Q

A

A

R

D

D

R

V

I

E

E

D

R

A

A

V

V

E

K

K

T

V

V

L

L

N

E

S

Q

G

G

Y

Y

R

R

T

T

G

G

D

D

I

I

Y

A

T

T

E

P

G

G

S

C

K

R

K

Q

V

V

G

G

T

T

K

A

E

A

M

M

G

G

K

D

L

A

V

V

L

V

A

A

E

A

L

L

active site: Y138 (= Y143), K193 (= K192), D225 (= D224), D249 (= D248), D253 (= D252)
binding magnesium ion: D249 (= D248), D253 (= D252)

3vkzA 3-isopropylmalate dehydrogenase from shewanella oneidensis mr-1 at atmospheric pressure (see paper)
53% identity, 98% coverage: 4:353/357 of query aligns to 3:356/364 of 3vkzA

query
sites
3vkzA

Y

Y

K

Q

V

I

A

A

V

V

I

L

P

A

G

G

D

D

G

G

I

I

G

G

V

P

E

E

I

V

V

M

G

A

E

E

A

A

L

R

K

K

V

V

L

L

E

K

K

A

V

V

G

E

A

A

K

R

Y

F

D

G

T

L

K

N

F

I

N

E

F

Y

T

T

E

E

V

Y

K

D

A

V

G

G

C

I

A

A

I

I

D

D

E

N

F

H

G

G

V

C

P

P

L

L

P

P

N

E

E

A

T

T

L

L

E

K

I

G

C

C

K

E

N

A

S

A

D

D

A

A

V

I

L

L

L

F

G

G

A

S

V

V

G

G

P

P

K

K

W

W

D

E

T

K

L

L

P

P

G

P

E

N

K

E

R

Q

P

P

E

E

K

R

-

G

A

A

L

L

M

L

G

P

L

L

R
|
R

G

G

G

H

L

F

G

E

L

L

Y

F

A

C

N

N

L

L

R

R

P

P

A

A

K

K

V

L

Y

H

D

D

I

G

L

L

K

E

S

H

A

M

S

S

P

P

L

L

K

R

E

S

E

D

I

I

I

S

N

A

K

R

G

G

V

F

D

D

L

V

L

L

V

C

V

V

R
|
R

E

E

L

L

T

T

G

G

I

I

Y
|
Y

F

F

G

G

E

K

-

P

R

K

G

G

R

R

D

Q

I

G

Q

E

N

G

G

E

I

S

N

E

S

E

A

A

Y

F

D

D

T

T

E

M

R

R

Y

Y

N

S

V

R

E

R

E

E

I

I

K

S

R

R

I

I

A

A

H

R

V

I

A

A

F

F

K

E

A

A

L

R

K

G

R

R

N

R

K

K

V

V

T

T

S

S

V

V

D

D

K
|
K

A

A

N

N

I

V

L

L

E

A

S

C

S

S

R

V

L

L

W

W

R

R

E

Q

T

V

V

V

T

E

E

E

V

V

A

A

K

V

E

D

Y

F

P

P

E

D

V

V

E

E

L

L

N

E

Y

H

L

I

Y

Y

V

I

D
|
D

N

N

A

A

A

T

M

M

Q

Q

L

L

V

L

R

R

E

R

P

P

S

D

Q

E

F

F

D

D

V

V

I

M

V

L

T

C

S

S

N

N

I

L

F

F

G

G

D
|
D

I

I

L

L

T

S

D
|
D

E

E

A

I

S

A

M

M

V

L

T

T

G

G

S

S

I

M

G

G

M

L

L

L

P

S

S

S

A

A

S

S

L

M

R

N

N

S

D

T

T

G

F

F

G

G

M

L

Y

F

E

E

P

P

I

A

H

G

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

Q

K

D

G

L

I

A

A

N

N

P

P

L

I

A

A

Q

Q

I

I

L

L

S

S

V

A

A

A

M

L

M

M

L

L

E

R

Y

H

S

S

F

L

N

K

M

Q

T

E

E

E

A

A

R

S

D

A

V

I

E

E

D

R

A

A

V

V

E

T

K

K

V

A

L

L

N

N

S

S

G

G

Y

Y

R

L

T

T

G

G

D

E

I

L

Y

L

T

S

-

S

-

D

E

Q

G

R

S

H

K

K

K

A

V

K

G

T

T

T

K

V

E

Q

M

M

G

G

K

D

L

F

V

I

active site: Y143 (= Y143), K193 (= K192), D225 (= D224), D249 (= D248), D253 (= D252)
binding calcium ion: D249 (= D248), D253 (= D252)
binding 3-isopropylmalic acid: R97 (= R97), R136 (= R136), Y143 (= Y143), D249 (= D248)

3vmkA 3-isopropylmalate dehydrogenase from shewanella benthica db21 mt-2 (see paper)
53% identity, 98% coverage: 4:353/357 of query aligns to 9:362/369 of 3vmkA

query
sites
3vmkA

Y

Y

K

Q

V

I

A

A

V

V

I

L

P

A

G

G

D

D

G

G

I

I

G

G

V

P

E

E

I

V

V

M

G

A

E

E

A

A

L

R

K

K

V

V

L

L

E

A

K

A

V

V

G

E

A

K

K

R

Y

F

D

D

T

L

K

S

F

I

N

E

F

Y

T

S

E

E

V

Y

K

D

A

V

G

G

C

A

A

A

I

I

D

D

E

N

F

H

G

G

V

C

P

P

L

L

P

P

N

E

E

A

T

T

L

L

E

K

I

G

C

C

K

E

N

A

S

A

D

D

A

A

V

V

L

L

L

F

G

G

A

S

V

V

G

G

P

P

K

K

W

W

D

E

T

H

L

L

P

P

G

P

E

N

K

D

R

Q

P

P

E

E

K

R

-

G

A

A

L

L

M

L

G

P

L

L

R
|
R

G

G

G

H

L

F

G

E

L

L

Y

F

A

C

N

N

L

M

R

R

P

P

A

A

K

K

V

L

Y

H

D

P

I

G

L

L

K

E

S

H

A

M

S

S

P

P

L

L

K

R

E

S

E

D

I

I

I

S

N

E

K

K

G

G

V

F

D

D

L

I

L

L

V

C

V

V

R
|
R

E

E

L

L

T

T

G

G

I

I

Y
|
Y

F

F

G

G

E

K

-

P

R

K

G

G

R

R

D

Q

I

G

Q

E

N

G

G

E

I

N

N

E

S

E

A

A

Y

F

D

D

T

T

E

M

R

R

Y

Y

N

S

V

R

E

K

E

E

I

I

K

R

R

R

I

I

A

A

H

K

V

I

A

A

F

F

K

E

A

S

A

A

L

Q

K

G

R

R

N

R

K

K

V

V

T

T

S

S

V

V

D

D

K
|
K

A

A

N
|
N

I

V

L

L

E

A

S

C

S

S

R

V

L

L

W

W

R

R

E

E

T

V

V

V

T

E

E

E

V

V

A

A

K

K

E

D

Y

Y

P

P

E

D

V

V

E

E

L

L

N

E

Y

H

L

I

Y

Y

V

I

D
|
D

N

N

A

A

A

T

M

M

Q

Q

L

L

V

L

R

R

E

R

P

P

S

N

Q

E

F

F

D

D

V

V

I

M

V

L

T

C

S

S

N

N

I

L

F

F

G

G

D
|
D

I

I

L

V

T

S

D
|
D

E

E

A

I

S

A

M

M

V

L

T

T

G

G

S

S

I

M

G

G

M

L

L

L

P

A

S

S

A

I

S

S

L

M

R

N

N

S

D

Q

T

G

F

F

G

G

M

M

Y

Y

E

E

P

P

I

A

H

G

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

Q

Q

D

G

L

I

A

A

N

N

P

P

L

V

A

A

Q

Q

I

I

L

L

S

S

V

A

A

A

M

L

L

L

E

R

Y

H

S

S

F

L

N

K

M

L

T

E

E

D

A

A

R

L

D

A

V

I

E

E

D

A

A

A

V

V

E

S

K

K

V

A

L

L

N

S

S

D

G

G

Y

Y

R

L

T

T

G

C

D

E

I

L

Y

L

-

P

-

A

T

S

E

E

G

R

S

S

K

Q

K

A

V

K

G

S

T

T

K

S

E

Q

M

M

G

G

K

D

L

Y

V

I

active site: Y149 (= Y143), K199 (= K192), D231 (= D224), D255 (= D248), D259 (= D252)
binding 3-isopropylmalic acid: R103 (= R97), R142 (= R136), Y149 (= Y143), K199 (= K192), N201 (= N194), D255 (= D248)

2y41A Structure of isopropylmalate dehydrogenase from thermus thermophilus - complex with ipm and mn (see paper)
56% identity, 90% coverage: 5:327/357 of query aligns to 3:320/346 of 2y41A

query
sites
2y41A

K

K

V

V

A

A

V

V

I

L

P

P

G

G

D

D

G

G

I

I

G

G

V

P

E

E

I

V

V

T

G

E

E

A

A

A

L

L

K

K

V

V

L

L

E

R

K

A

V

L

G

D

A

E

K

A

Y

E

D

G

T

L

K

G

F

L

N

A

F

Y

T

E

E

V

V

F

K

P

A

F

G

G

C

A

A

A

I

I

D

D

E

A

F

F

G

G

V

E

P

P

L

F

P

P

N

E

E

P

T

T

L

R

E

K

I

G

C

V

K

E

N

E

S

A

D

E

A

A

V

V

L

L

G

G

A

S

V

V

G

G

P

P

K

K

W

W

D

D

T

G

L

L

P

P

G

R

E

K

K

I

R

R

P

P

E

E

K

T

A

G

L

L

M

L

G

S

L

L

R
|
R

G

K

G

S

L

Q

G

D

L

L

Y

F

A

A

N

N

L

L

R
|
R

P

P

A

A

K

K

V

V

Y

F

D

P

I

G

L

L

K

E

S

R

A

L

S

S

P

P

L

L

K

K

E

E

I

I

I

-

N

A

K

R

G

G

V

V

D

D

L

V

L

L

V

I

V

V

R
|
R

E

E

L

L

T

T

G

G

I

I

Y
|
Y

F

F

G

G

E

E

R

-

G

-

R

-

D

-

I

-

Q

P

N

R

G

G

I

M

N

S

S

E

A

A

-

E

-

A

Y

W

D

N

T

T

E

E

R

R

Y

Y

N

S

V

K

E

P

E

E

I

V

K

E

R

R

I

V

A

A

H

R

V

V

A

A

F

F

K

E

A

A

L

R

K

K

R

R

N

R

K

K

K

H

V

V

T

V

S

S

V

V

D

D

K
|
K

A

A

N

N

I

V

L

L

E

E

S

V

S

G

R

E

L

F

W

W

R

R

E

K

T

T

V

V

T

E

E

E

V

V

A

G

K

R

E

G

Y

Y

P

P

E

D

V

V

E

A

L

L

N

E

Y

H

L

Q

Y

Y

V

V

D
|
D

N

A

A

M

A

A

M

M

Q

H

L

L

V

V

R

R

E

S

P

P

S

A

Q

R

F

F

D

D

V

V

I

V

V

V

T

T

S

G

N

N

I

I

F

F

G

G

D
|
D

I

I

L

L

T

S

D
|
D

E

L

A

A

S

S

M

V

V

L

T

P

G

G

S

S

I

L

G

G

M

L

L

L

P

P

S

S

A

A

S

S

L

L

R

G

N

R

D

G

T

T

F

-

G

P

M

V

Y

F

E

E

P

P

I

V

H

H

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

Q

K

D

G

L

I

A

A

N

N

P

P

L

T

A

A

Q

A

I

I

L

L

S

S

V

A

A

A

M

M

L

L

E

E

Y

H

S

A

F

F

N

G

M

L

T

V

E

E

A

L

A

A

R

R

D

K

V

V

E

E

D

D

A

A

V

V

E

A

K

K

V

A

L

L

active site: Y140 (= Y143), K186 (= K192), D218 (= D224), D242 (= D248), D246 (= D252)
binding 3-isopropylmalic acid: R95 (= R97), R105 (= R107), R133 (= R136), Y140 (= Y143), D242 (= D248)

2y42D Structure of isopropylmalate dehydrogenase from thermus thermophilus - complex with nadh and mn (see paper)
56% identity, 90% coverage: 5:327/357 of query aligns to 3:320/355 of 2y42D

query
sites
2y42D

K

K

V

V

A

A

V

V

I

L

P

P

G

G

D

D

G

G

I
|
I

G

G

V

P

E

E

I

V

V

T

G

E

E

A

A

A

L

L

K

K

V

V

L

L

E

R

K

A

V

L

G

D

A

E

K

A

Y

E

D

G

T

L

K

G

F

L

N

A

F

Y

T

E

E

V

V

F

K

P

A

F

G

G

C

A

A

A

I

I

D

D

E

A

F

F

G

G

V

E

P

P

L

F

P

P

N

E

E

P

T

T

L

R

E

K

I

G

C

V

K

E

N

E

S

A

D

E

A

A

V

V

L

L

G

G

A

S

V

V

G

G

P

P

K

K

W

W

D
|
D

T

G

L

L

P

P

G

R

E

K

K

I

R

R

P

P

E

E

K

T

A

G

L

L

M

L

G

S

L

L

R

R

G

K

G

S

L

Q

G

D

L

L

Y

F

A

A

N

N

L

L

R

R

P

P

A

A

K

K

V

V

Y

F

D

P

I

G

L

L

K

E

S

R

A

L

S

S

P

P

L

L

K

K

E

E

I

I

I

-

N

A

K

R

G

G

V

V

D

D

L

V

L

L

V

I

V

V

R

R

E

E

L

L

T

T

G

G

I

I

Y
|
Y

F

F

G

G

E

E

R

-

G

-

R

-

D

-

I

-

Q

P

N

R

G

G

I

M

N

S

S

E

A

A

-

E

-

A

Y

W

D

N

T

T

E

E

R

R

Y

Y

N

S

V

K

E

P

E

E

I

V

K

E

R

R

I

V

A

A

H

R

V

V

A

A

F

F

K

E

A

A

L

R

K

K

R

R

N

R

K

K

K

H

V

V

T

V

S

S

V

V

D

D

K
|
K

A

A

N

N

I

V

L

L

E

E

S

V

S

G

R

E

L

F

W

W

R

R

E

K

T

T

V

V

T

E

E

E

V

V

A

G

K

R

E

G

Y

Y

P

P

E

D

V

V

E

A

L

L

N

E

Y

H

L

Q

Y

Y

V

V

D
|
D

N

A

A

M

A

A

M

M

Q

H

L

L

V

V

R

R

E

S

P

P

S

A

Q

R

F

F

D

D

V

V

I

V

V

V

T

T

S

G

N

N

I

I

F

F

G

G

D
|
D

I

I

L

L

T

S

D
|
D

E

L

A

A

S

S

M

V

V

L

T

P

G

G

S

S

I

L

G

G

M

L

L

L

P

P

S

S

A

A

S

S

L

L

R

G

N

R

D

G

T

T

F

-

G

P

M

V

Y

F

E

E

P

P

I

V

H
|
H

G
|
G

S

S

A
|
A

P

P

D
|
D

I
|
I

A

A

G

G

Q

K

D

G

L

I

A

A

N
|
N

P

P

L

T

A

A

Q

A

I

I

L

L

S

S

V

A

A

A

M

M

L

L

E

E

Y

H

S

A

F

F

N

G

M

L

T

V

E

E

A

L

A

A

R

R

D

K

V

V

E

E

D

D

A

A

V

V

E

A

K

K

V

A

L

L

active site: Y140 (= Y143), K186 (= K192), D218 (= D224), D242 (= D248), D246 (= D252)
binding manganese (ii) ion: D242 (= D248), D246 (= D252)
binding nicotinamide-adenine-dinucleotide: I12 (= I14), D79 (= D81), H274 (= H281), G275 (= G282), A277 (= A284), D279 (= D286), I280 (= I287), N287 (= N294)

2ztwA Structure of 3-isopropylmalate dehydrogenase in complex with the inhibitor and NAD+ (see paper)
56% identity, 90% coverage: 5:327/357 of query aligns to 2:319/345 of 2ztwA

query
sites
2ztwA

K

K

V

V

A

A

V

V

I

L

P

P

G

G

D

D

G

G

I
|
I

G

G

V

P

E

E

I

V

V

T

G

E

E

A

A

A

L

L

K

K

V

V

L

L

E

R

K

A

V

L

G

D

A

E

K

A

Y

E

D

G

T

L

K

G

F

L

N

A

F

Y

T

E

E

V

V

F

K

P

A

F

G

G

C

A

A

A

I

I

D

D

E

A

F

F

G

G

V

E

P

P

L

F

P

P

N

E

E

P

T

T

L

R

E

K

I

G

C

V

K

E

N

E

S

A

D

E

A

A

V

V

L

L

G

G

A

S

V

V

G

G

P

P

K

K

W

W

D

D

T

G

L

L

P

P

G

R

E

K

K

I

R

R

P

P

E

E

K

T

A

G

L

L

M

L

G

S

L

L

R

R

G

K

G

S

L

Q

G

D

L

L

Y

F

A

A

N

N

L

L

R

R

P

P

A

A

K

K

V

V

Y

F

D

P

I

G

L

L

K

E

S

R

A

L

S

S

P

P

L

L

K

K

E

E

I

I

I

-

N

A

K

R

G

G

V

V

D

D

L

V

L

L

V

I

V

V

R

R

E

E

L

L

T

T

G

G

I

I

Y
|
Y

F

F

G

G

E

E

R

-

G

-

R

-

D

-

I

-

Q

P

N

R

G

G

I

M

N

S

S

E

A

A

-

E

-

A

Y

W

D

N

T

T

E

E

R

R

Y

Y

N

S

V

K

E

P

E

E

I

V

K

E

R

R

I

V

A

A

H

R

V

V

A

A

F

F

K

E

A

A

L

R

K

K

R

R

N

R

K

K

K

H

V

V

T

V

S

S

V

V

D

D

K
|
K

A

A

N

N

I

V

L

L

E

E

S

V

S

G

R

E

L

F

W

W

R

R

E

K

T

T

V

V

T

E

E

E

V

V

A
x
G

K

R

E

G

Y
|
Y

P

P

E

D

V
|
V

E

A

L

L

N

E

Y

H

L

Q

Y

Y

V

V

D
|
D

N

A

A

M

A

A

M

M

Q

H

L

L

V

V

R

R

E

S

P

P

S

A

Q

R

F

F

D

D

V

V

I

V

V

V

T

T

S

G

N

N

I

I

F

F

G

G

D
|
D

I

I

L

L

T

S

D
|
D

E

L

A

A

S

S

M

V

V

L

T

P

G

G

S

S

I

L

G

G

M

L

L

L

P

P

S

S

A

A

S

S

L

L

R

G

N

R

D

G

T

T

F

-

G

P

M

V

Y

F

E

E

P

P

I

V

H
|
H

G
|
G

S

S

A
|
A

P

P

D
|
D

I
|
I

A

A

G

G

Q

K

D

G

L

I

A
|
A

N
|
N

P

P

L

T

A

A

Q

A

I

I

L

L

S

S

V

A

A

A

M

M

L

L

E

E

Y

H

S

A

F

F

N

G

M

L

T

V

E

E

A

L

A

A

R

R

D

K

V

V

E

E

D

D

A

A

V

V

E

A

K

K

V

A

L

L

active site: Y139 (= Y143), K185 (= K192), D217 (= D224), D241 (= D248), D245 (= D252)
binding magnesium ion: G203 (≠ A210), Y206 (= Y213), V209 (= V216)
binding nicotinamide-adenine-dinucleotide: I11 (= I14), H273 (= H281), G274 (= G282), A276 (= A284), D278 (= D286), I279 (= I287), A285 (= A293), N286 (= N294)

Q5SIY4 3-isopropylmalate dehydrogenase; 3-IPM-DH; Beta-IPM dehydrogenase; IMDH; EC 1.1.1.85 from Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8) (see 2 papers)
56% identity, 90% coverage: 5:327/357 of query aligns to 2:319/345 of Q5SIY4

query
sites
Q5SIY4

K

K

V

V

A

A

V

V

I

L

P

P

G

G

D

D

G

G

I

I

G

G

V

P

E

E

I

V

V

T

G

E

E

A

A

A

L

L

K

K

V

V

L

L

E

R

K

A

V

L

G

D

A

E

K

A

Y

E

D

G

T

L

K

G

F

L

N

A

F

Y

T

E

E

V

V

F

K

P

A

F

G

G

C

A

A

A

I

I

D

D

E

A

F

F

G

G

V

E

P

P

L

F

P

P

N

E

E

P

T

T

L

R

E

K

I

G

C

V

K

E

N

E

S

A

D

E

A

A

V

V

L

L

G

G

A

S

V

V

G

G

G
|
G

P
|
P

K
|
K

W
|
W

D
|
D

T
x
G

L
|
L

P
|
P

G
x
R

E
x
K

K
x
I

R
|
R

P
|
P

E
|
E

K

T

A

G

L

L

M

L

G

S

L

L

R

R

G

K

G

S

L

Q

G

D

L

L

Y

F

A

A

N

N

L

L

R

R

P

P

A

A

K

K

V

V

Y

F

D

P

I

G

L

L

K

E

S

R

A

L

S

S

P

P

L

L

K

K

E

E

I

I

I

-

N

A

K

R

G

G

V

V

D

D

L

V

L

L

V

I

V

V

R

R

E

E

L

L

T

T

G

G

I

I

Y
|
Y

F

F

G

G

E

E

R

-

G

-

R

-

D

-

I

-

Q

P

N

R

G

G

I

M

N

S

S

E

A

A

-

E

-

A

Y

W

D

N

T

T

E

E

R

R

Y

Y

N

S

V

K

E

P

E

E

I

V

K

E

R

R

I

V

A

A

H

R

V

V

A

A

F

F

K

E

A

A

L

R

K

K

R

R

N

R

K

K

K

H

V

V

T

V

S

S

V

V

D

D

K

K

A

A

N

N

I

V

L

L

E

E

S

V

S

G

R

E

L

F

W

W

R

R

E

K

T

T

V

V

T

E

E

E

V

V

A

G

K

R

E

G

Y

Y

P

P

E

D

V

V

E

A

L

L

N

E

Y

H

L

Q

Y

Y

V

V

D

D

N

A

A

M

A

A

M

M

Q

H

L

L

V

V

R

R

E

S

P

P

S

A

Q

R

F

F

D

D

V

V

I

V

V

V

T

T

S

G

N

N

I

I

F

F

G

G

D

D

I

I

L

L

T

S

D

D

E

L

A

A

S

S

M

V

V

L

T

P

G

G

S

S

I

L

G

G

M

L

L

L

P

P

S

S

A

A

S

S

L

L

R

G

N

R

D

G

T

T

F

-

G

P

M

V

Y

F

E

E

P

P

I

V

H

H

G
|
G

S
|
S

A
|
A

P
|
P

D
|
D

I
|
I

A
|
A

G
|
G

Q
x
K

D
x
G

L
x
I

A
|
A

N
|
N

P

P

L

T

A

A

Q

A

I

I

L

L

S

S

V

A

A

A

M

M

L

L

E

E

Y

H

S

A

F

F

N

G

M

L

T

V

E

E

A

L

A

A

R

R

D

K

V

V

E

E

D

D

A

A

V

V

E

A

K

K

V

A

L

L

74:87 (vs. 77:90, 71% identical) binding NAD(+)
Y139 (= Y143) mutation to F: Large decrease in activity and a small decrease in substrate affinity.
274:286 (vs. 282:294, 77% identical) binding NAD(+)

P18869 3-isopropylmalate dehydrogenase; 3-IPM-DH; IMDH; Beta-IPM dehydrogenase; EC 1.1.1.85 from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
47% identity, 100% coverage: 1:357/357 of query aligns to 1:367/371 of P18869

query
sites
P18869

M

M

K

C

E

A

Y

K

K

K

V

I

A

V

V

V

I

L

P

P

G

G

D

D

G

H

I

I

G

G

V

P

E

E

I

I

V

V

G

A

E

S

A

A

L

L

K

E

V

V

L

L

E

K

K

V

V

V

G

E

A

K

K

K

Y

R

-

P

D

E

T

L

K

K

F

L

N

E

F

F

T

E

E

E

V

H

K

K

A

I

G

G

C

A

A

S

I

I

D

D

E

A

F

Y

G

G

V
x
T

P

P

L

L

P

T

N

D

E

E

T

T

L

V

E

K

I

A

C

C

K

L

N

E

S

A

D

D

A

G

V

V

L

L

G

G

A

A

V

V

G

G

P

P

K

E

W

W

D

-

T

T

L

N

P

P

G

-

E

N

K

C

R

R

P

P

E

E

K

Q

A

G

L

L

M

L

G

K

L

L

R

R

G

K

G

S

L

M

G

G

L

V

Y

W

A

A

N

N

L

L

R

R

P

P

A

C

K

N

V

F

Y

A

D

S

-

K

I

S

L

L

K

V

S

K

A

Y

S

S

P

P

L

L

K

K

E

P

E

E

I

I

I

V

N

-

K

E

G

G

V

V

D

D

L

F

L

C

V

V

R

R

E

E

L

L

T

T

G

G

I

C

Y

Y

F

F

G

G

E

E

R

R

G

T

R

E

D

D

I

-

Q

-

N

N

G

G

I

S

N

G

S

Y

A

A

Y

M

D

D

T

T

E

W

R

P

Y

Y

N

S

V

L

E

E

I

V

K

S

R

R

I

I

A

A

H

R

V

L

A

A

F

A

K

W

A

L

A

A

L

E

K

T

R

S

N

N

K

P

-

A

-

P

V

V

T

T

S

L

V

L

D

D

K

K

A

A

N

N

I

V

L

L

E

A

S

T

S

S

R

R

L

L

W

W

R

R

E

K

T

T

V

V

T

A

E

K

V

I

A

F

K

K

E

E

-

E

Y

Y

P

P

E

H

V

L

E

T

L

L

N

K

Y

N

L

Q

Y

L

V

I

D

D

N

S

A

A

M

M

Q

L

L

L

V

V

R

K

E

S

P

P

S

R

Q

T

F

L

D

N

-

G

V

V

I

V

V

L

T

T

S

D

N

N

I

L

F

F

G

G

D

D

I

I

L

I

T

S

D

D

E

E

A

A

S

S

M

V

V

I

T

P

G

G

S

S

I

L

G

G

M

L

L

L

P

P

S

S

A

A

S

S

L

L

-

S

-

G

-

V

-

G

-

K

-

S

R

E

N

E

D

K

T

V

F

H

G

C

M

L

Y

V

E

E

P

P

I

I

H

H

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

Q

K

D

G

L

I

A

V

N

N

P

P

L

V

A

G

Q

T

I

I

L

L

S

S

V

A

A

S

M

L

L

L

E

R

Y

Y

S

G

F

L

N

N

M

A

T

P

E

K

A

E

A

A

R

E

D

A

V

I

E

E

D

A

A

A

V

V

E

R

K

K

V

V

L

L

N

D

S

D

-

T

-

S

-

I

-

G

-

R

G

G

Y

L

R

Y

T

T

G

R

D

D

I

L

Y

G

T

G

E

E

G

A

S

S

K

-

V

-

G

-

T

T

K

A

E

D

M

I

G

T

K

K

L

A

V

V

L

V

A

E

E

E

L

L

T55 (≠ V54) modified: Phosphothreonine

Q72IW9 Isocitrate/homoisocitrate dehydrogenase; Homoisocitrate dehydrogenase; HICDH; EC 1.1.1.286 from Thermus thermophilus (strain ATCC BAA-163 / DSM 7039 / HB27) (see 4 papers)
41% identity, 93% coverage: 4:336/357 of query aligns to 3:314/334 of Q72IW9

query
sites
Q72IW9

Y

Y

K

R

V

I

A

C

V

L

I

I

P

E

G

G

D

D

G

G

I

I

G

G

V

H

E

E

I

V

V

I

G

P

E

A

A

A

L

R

K

R

V

V

L

L

E

E

K

A

V

T

G

G

A

-

K

-

Y

-

D

-

T

L

K

P

F

L

N

E

F

F

T

V

E

E

V

A

K

E

A

A

G

G

G

W

C

E

A

T

I

F

D

E

E

R

F

R

G

G

V

T

P

S

L

V

P

P

N

E

E

E

T

T

L

V

E
|
E

I

K

C

I

K

L

N

S

S

C

D

H

A

A

V

T

L

L

L

F

G

G

A

A

V
x
A

G
x
T

G
x
S

P

P

K

T

W

R

D

K

T

-

L

V

P

P

G

G

E

F

K

F

R

-

P

-

E

-

K

G

A

A

L

I

M
x
R

G
x
Y

L

L

R
|
R

G

R

L

L

G

D

L

L

Y

Y

A

A

N

N

L

V

R
|
R

P

P

A

A

K

K

V

S

Y

R

D

P

I

V

L

P

K

G

S

S

A

-

S

-

P

-

L

-

K

-

E

-

I

-

N

R

K

P

G

G

V

V

D

D

L

L

L

V

V

I

V

V

R
|
R

E

E

L

N

T

T

G

E

G

G

I

L

Y
|
Y

F

V

G

E

E

Q

R

E

G

R

R

R

D

Y

I

L

Q

D

N
x
V

G

A

I

I

N

A

S

D

A

A

Y

V

D

I

T

S

E

K

R

K

Y

A

N

S

V

-

E

-

I

-

K

E

R

R

I

I

A

G

H

R

V

A

A

A

F

L

K

R

A

I

A

A

L

E

K

G

R

R

N

P

K

R

K

K

V

T

T

L

S

H

V

I

-

A

D

H

K
|
K

A

A

N
|
N

I

V

L

L

E

P

S

L

S

T

R

Q

-

G

L

L

W

F

R

L

E

D

T

T

V

V

T

K

E

E

V

V

A

A

K

K

E

D

Y

F

P

P

E

L

V

V

E

N

L

V

N

Q

Y

D

L

I

Y

I

V

V

D
|
D

N

N

A

C

A

A

M
|
M

Q

Q

L

L

V

V

R

M

E

R

P

P

S

E

Q

R

F
|
F

D

D

V

V

I

I

V

V

T

T

S

T

N

N

I

L

F

L

G

G

D
|
D

I

I

L

L

T

S

D
|
D

E

L

A

A

S

A

M

G

V

L

T
x
V

G

G

S

G

I

L

G

G

M

L

L

A

P

P

S

S

A

G

S

N

L

I

R

-

N

G

D

D

T

T

F

T

G

A

M

V

Y

F

E

E

P

P

I

V

H

H

G
|
G

S
|
S

A
|
A

P
|
P

D
|
D

I

I

A

A

G

G

Q

K

D

G

L

I

A

A

N
|
N

P

P

L

T

A

A

Q

A

I

I

L

L

S

S

V

A

A

A

M

M

L

L

E

D

Y

Y

S

-

F

L

N

G

M

E

T

K

E

E

A

A

R

K

D

R

V

V

E

E

D

K

A

A

V

V

E

D

K

L

V

V

L

L

N

E

S

R

G

G

Y

P

R
|
R

T

T

G

P

D

D

I

L

E57 (= E62) mutation to V: Confers enzyme activity with 3-isopropylmalate; when associated with I-72; M-85; A-86; T-208; Y-217; M-238 and M-310.
ATS 70:72 (≠ VGG 75:77) binding NADH
S72 (≠ G77) binding in other chain; mutation to I: Confers enzyme activity with 3-isopropylmalate; when associated with V-57; M-85; A-86; T-208; Y-217; M-238 and M-310.
R85 (≠ M94) binding in other chain; mutation to M: Confers enzyme activity with 3-isopropylmalate; when associated with V-57; I-72; A-86; T-208; Y-217; M-238 and M-310.; mutation to V: Confers low enzyme activity with 3-isopropylmalate. Reduces activity with homoisocitrate. Abolishes activity with isocitrate.
Y86 (≠ G95) mutation to A: Confers enzyme activity with 3-isopropylmalate; when associated with V-57; I-72; M-85; T-208; Y-217; M-238 and M-310.
R88 (= R97) binding in other chain
R98 (= R107) binding in other chain
R118 (= R136) binding in other chain
Y125 (= Y143) binding in other chain; mutation to A: Reduces catalytic efficiency with isocitrate.
V135 (≠ N153) mutation to M: Formation of homodimers instead of homotetramers. Increased affinity for isocitrate. Reduces enzyme activity with isocitrate.
K171 (= K192) binding (2R,3S)-homoisocitrate
N173 (= N194) binding (2R,3S)-homoisocitrate; binding NADH
D204 (= D224) binding Mg(2+)
M208 (= M228) mutation to T: Confers enzyme activity with 3-isopropylmalate; when associated with V-57; I-72; M-85; A-86; T-208; Y-217; M-238 and M-310.
F217 (= F237) mutation to Y: Confers enzyme activity with 3-isopropylmalate; when associated with V-57; I-72; M-85; A-86; T-208; M-238 and M-310.
D228 (= D248) binding Mg(2+)
D232 (= D252) binding Mg(2+)
V238 (≠ T258) mutation to M: Confers enzyme activity with 3-isopropylmalate; when associated with V-57; I-72; M-85; A-86; T-208; Y-217; and M-310.
GSAPD 261:265 (= GSAPD 282:286) binding NADH
N273 (= N294) binding NADH
R310 (= R332) mutation to M: Confers enzyme activity with 3-isopropylmalate; when associated with V-57; I-72; M-85; A-86; T-208; Y-217; and M-238.

Query Sequence

>WP_010966448.1 NCBI__GCF_000008765.1:WP_010966448.1
MKEYKVAVIPGDGIGVEIVGEALKVLEKVGAKYDTKFNFTEVKAGGCAIDEFGVPLPNET
LEICKNSDAVLLGAVGGPKWDTLPGEKRPEKALMGLRGGLGLYANLRPAKVYDILKSASP
LKEEIINKGVDLLVVRELTGGIYFGERGRDIQNGINSAYDTERYNVEEIKRIAHVAFKAA
LKRNKKVTSVDKANILESSRLWRETVTEVAKEYPEVELNYLYVDNAAMQLVREPSQFDVI
VTSNIFGDILTDEASMVTGSIGMLPSASLRNDTFGMYEPIHGSAPDIAGQDLANPLAQIL
SVAMMLEYSFNMTEAARDVEDAVEKVLNSGYRTGDIYTEGSKKVGTKEMGKLVLAEL

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