SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012759505.1 NCBI__GCF_000023185.1:WP_012759505.1 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)

Q56268 3-isopropylmalate dehydrogenase; 3-IPM-DH; Beta-IPM dehydrogenase; IMDH; EC 1.1.1.85 from Acidithiobacillus ferrooxidans (Thiobacillus ferrooxidans) (see paper)
52% identity, 97% coverage: 4:362/370 of query aligns to 2:351/358 of Q56268

query
sites
Q56268

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R95 (= R97) binding substrate
R105 (= R107) binding substrate
R133 (= R135) binding substrate
D222 (= D226) binding Mg(2+); binding substrate
D246 (= D250) binding Mg(2+)

1a05A Crystal structure of the complex of 3-isopropylmalate dehydrogenase from thiobacillus ferrooxidans with 3-isopropylmalate (see paper)
52% identity, 97% coverage: 4:362/370 of query aligns to 2:351/357 of 1a05A

query
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1a05A

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active site: Y140 (= Y142), K190 (= K193), D222 (= D226), D246 (= D250), D250 (= D254)
binding 3-isopropylmalic acid: R95 (= R97), R105 (= R107), R133 (= R135), Y140 (= Y142), D246 (= D250)

4xxvA Crystal structure of 3-isopropylmalate dehydrogenase from burkholderia thailandensis in complex with NAD
53% identity, 96% coverage: 8:363/370 of query aligns to 6:354/356 of 4xxvA

query
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4xxvA

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active site: Y136 (= Y142), K191 (= K193), D223 (= D226), D247 (= D250), D251 (= D254)
binding nicotinamide-adenine-dinucleotide: N193 (= N195), Y221 (≠ L224), N224 (≠ A227)

4iwhA Crystal structure of a 3-isopropylmalate dehydrogenase from burkholderia pseudomallei
53% identity, 96% coverage: 8:363/370 of query aligns to 8:356/358 of 4iwhA

query
sites
4iwhA

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K

R

K

V

L

C

L

S

S

M

V

E

D

K
|
K

R

S

N

N

V

V

M

L

K

E

S

T

G

S

V

Q

L

F

W

W

N

R

Q

D

V

V

V

M

T

I

E

D

T

V

H

S

K

K

A

-

K

E

Y

Y

S

A

D

D

V

V

Q

E

L

L

E

S

H

H

M

M

L

Y

A

V

D
|
D

A

N

G

A

M

M

Q

Q

L

L

V

A

R

K

Q

A

P

P

K

K

Q

Q

F

F

D

D

V

V

I

I

V

V

T

T

D

G

N

N

L

M

F

F

G

G

D
|
D

M

I

L

L

S

S

D
|
D

V

E

A

A

A

S

M

M

L

L

T

T

G

G

S

S

L

I

G

G

M

M

L

L

P

P

S

S

A

A

S

S

L

L

G

-

A

-

P

-

D

-

G

-

K

-

T

D

G

K

K

N

R

N

K

K

A

G

L

L

Y

Y

E

E

P

P

V

S

H

H

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

K

K

G

G

I

I

A

A

N

N

P

P

I

L

A

A

M

T

I

I

A

L

S

S

F

A

A

A

M

M

C

L

L

L

R

R

Y

Y

S

S

F

L

N

N

L

R

V

A

K

E

E

Q

A

A

D

D

D

R

L

I

E

E

K

R

A

A

I

V

A

K

N

T

V

V

L

L

D

E

K

Q

G

G

I

Y

R

R

T

T

G

G

D

D

I

I

M

A

A

T

D

P

G

G

A

C

R

R

Q

Q

V

V

G

G

T

T

I

A

E

A

M

M

G

G

D

D

A

A

I

V

L

V

A

A

active site: Y138 (= Y142), K193 (= K193), D225 (= D226), D249 (= D250), D253 (= D254)
binding magnesium ion: D249 (= D250), D253 (= D254)

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)
49% identity, 98% coverage: 5:367/370 of query aligns to 48:403/409 of Q9FMT1

query
sites
Q9FMT1

N

N

L

I

F

A

L

L

P

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

A

V

M

I

G

S

E

V

V

A

R

K

K

N

I

V

I

L

A

Q

Y

K

M

A

N

G

E

S

A

L

M

E

N

G

A

L

G

E

F

F

V

D

T

F

D

K

E

E

G

M

L

P

V

V

G

G

C

A

A

A

Y

L

D

D

A

L

H

V

G

G

A

V

A

P

I

L

S

P

E

E

A

E

D

T

M

F

Q

T

K

A

A

A

I

K

A

L

A

S

D

D

A

A

V

I

L

L

F

L

G

G

A

A

V

I

G

G

P

Y

K

K

W

W

D

D

S

K

V

N

P

E

Y

K

E

H

V

L

R

R

P

P

E

E

A

M

G

A

L

L

L
x
F

R

Y

L

L

R

R

K

R

D

D

L

L

Q

K

L

V

F

F

A

A

N

N

L

L

R

R

P

P

A

A

I

T

C

V

Y

L

P

P

A

Q

L

L

A

V

A

D

A

A

S

S

S

T

L

L

K

K

P

K

E

E

L

V

V

A

E

E

G

G

L

V

D

D

I

M

L

M

I

I

I

V

R

R

E

E

L

L

T

T

G

G

V

I

Y

Y

F

F

G

G

E

E

P

P

K

R

E

G

I

I

I

T

D

I

L

N

G

E

N

N

G

G

Q

E

K

E

R

V

G

G

I

V

D

S

T

T

Q

E

V

I

Y

Y

D

A

T

A

Y

H

E

E

I

I

E

D

R

R

I

I

A

A

G

R

V

V

A

A

F

F

E

E

M

T

A

A

R

R

T

K

R

R

Q

R

N

G

R

K

V

L

C
|
C

S

S

M

V

E

D

K

K

R

A

N

N

V

V

M

L

K

D

S

A

G

S

V

I

L

L

W

W

N

R

Q

K

V

R

V

V

T

T

E

A

T

L

H

-

K

A

A

S

K

E

Y

Y

S

P

D

D

V

V

Q

E

L

L

E

S

H

H

M

M

L

Y

A

V

D

D

A

N

G

A

M

M

Q

Q

L

L

V

I

R

R

Q

D

P

P

K

K

Q

Q

F

F

D

D

V

T

I

I

V

V

T

T

D

N

N

N

L

I

F

F

G

G

D

D

M

I

L

L

S

S

D

D

V

E

A

A

A

S

M

M

L

I

T

T

G

G

S

S

L

I

G

G

M

M

L

L

P

P

S

S

A

A

S

S

L

L

G

-

A

-

P

-

D

-

G

G

K

E

T

S

G

G

K

-

R

-

K

P

A

G

L

L

Y

F

E

E

P

P

V

I

H

H

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

K

Q

G

D

I

K

A

A

N

N

P

P

I

L

A

A

M

T

I

I

A

L

S

S

F

A

A

A

M

M

C

L

L

L

R

K

Y

Y

S

G

F

L

N

G

L

E

V

E

K

K

E

A

A

A

D

K

D

R

L

I

E

E

K

D

A

A

I

V

A

V

N

D

V

A

L

L

D

N

K

K

G

G

I

F

R

R

T

T

G

G

D

D

I

I

M

Y

A

S

D

P

G

G

A

N

R

K

Q

L

V

V

G

G

T
x
C

I

K

E

E

M

M

G

G

D

E

A

E

I

V

L

L

A

K

E

S

F

V

K

E

T

S

F137 (≠ L94) Confers substrate specificity; mutation to L: Reduced activity toward 3-(2'-methylthio)-ethylmalate, but enhanced catalytic efficiency with 3-isopropylmalate.
C232 (= C189) Essential for redox regulation; mutation to S: Reduced sensitivity to oxidation on enzyme activity regulation.
C390 (≠ T354) 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)
49% identity, 97% coverage: 5:362/370 of query aligns to 45:395/404 of Q9SA14

query
sites
Q9SA14

N

N

L

I

F

T

L

L

P

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

A

V

M

I

G

S

E

V

V

A

R

K

K

N

I

V

I

L

A

Q

Y

K

M

A

N

G

E

F

A

L

M

Q

N

G

A

L

G

E

F

F

V

D

T

F

D

Q

E

E

G

M

L

P

V

F

G

G

C

A

A

A

Y

L

D

D

A

L

H

V

G

G

A

V

A

P

I

L

S

P

E

E

A

E

D

T

M

S

Q

T

K

A

A

A

I

K

A

Q

A

S

D

D

A

A

V

I

L

L

F

L

G

G

A

A

V

I

G

G

P

Y

K

K

W

W

D

D

S

K

V

N

P

E

Y

K

E

H

V

L

R

R

P

P

E

E

A

M

G

G

L

L

L
|
L

R

N

L

I

R

R

K

R

D

D

L

L

Q

N

L

V

F

F

A

A

N

N

L

L

R

R

P

P

A

A

I

T

C

V

Y

L

P

P

A

Q

L

L

A

V

A

D

A

A

S

S

S

T

L

L

K

K

P

K

E

E

L

V

V

A

E

Q

G

G

L

V

D

D

I

M

L

M

I

I

I

V

R

R

E

E

L

L

T

T

G

G

V

I

Y

Y

F

F

G

G

E

E

P

P

K

R

E

G

I

I

I

T

D

I

L

N

G

E

N

N

G

G

Q

E

K

E

R

V

G

G

I

F

D

N

T

T

Q

E

V

I

Y

Y

D

A

T

A

Y

H

E

E

I

I

E

D

R

R

I

I

A

A

G

R

V

V

A

A

F

F

E

E

M

T

A

A

R

R

T

K

R

R

Q

R

N

G

R

K

V

L

C

C

S

S

M

V

E

D

K

K

R

A

N

N

V

V

M

L

K

D

S

A

G

S

V

I

L

L

W

W

N

R

Q

K

V

R

V

V

T

T

E

A

T

L

H

-

K

A

A

S

K

E

Y

Y

S

P

D

D

V

V

Q

E

L

L

E

S

H

H

M

M

L

Y

A

V

D

D

A

N

G

A

M

M

Q

Q

L

L

V

V

R

R

Q

D

P

P

K

K

Q

Q

F

F

D

D

V

T

I

I

V

V

T

T

D

N

N

N

L

I

F

F

G

G

D

D

M

I

L

L

S

S

D

D

V

E

A

A

A

S

M

M

L

I

T

T

G

G

S

S

L

I

G

G

M

M

L

L

P

P

S

S

A

A

S

S

L

L

G

-

A

-

P

-

D

-

G

G

K

E

T

S

G

G

K

-

R

-

K

P

A

G

L

L

Y

F

E

E

P

P

V

I

H

H

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

K

Q

G

D

I

K

A

A

N

N

P

P

I

L

A

A

M

T

I

I

A

L

S

S

F

A

A

A

M

M

C

L

L

L

R

K

Y

Y

S

G

F

L

N

G

L

E

V

E

K

K

E

A

A

A

D

K

D

M

L

I

E

E

K

D

A

A

I

V

A

V

N

D

V

A

L

L

D

N

K

K

G

G

I

F

R

R

T

T

G

G

D

D

I

I

M

Y

A

S

D

P

G

G

A

N

R

K

Q

L

V

V

G

G

T

C

I

K

E

E

M

M

G

G

D

E

A

E

I

V

L

L

L134 (= L94) Confers substrate specificity; mutation to F: Enhanced activity toward 3-(2'-methylthio)-ethylmalate, but reduced catalytic efficiency with 3-isopropylmalate.

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)
49% identity, 97% coverage: 5:362/370 of query aligns to 44:394/405 of P93832

query
sites
P93832

N

T

L

I

F

T

L

L

P

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

A

V

M

V

G

S

E

I

V

A

R

K

K

N

I

V

I

L

A

Q

Y

Q

M

A

N

G

E

S

A

L

M

E

N

G

A

V

G

E

F

F

V

N

T

F

D

R

E

E

G

M

L

P

V

I

G

G

C

A

A

A

Y

L

D

D

A

L

H

V

G

G

A

V

A

P

I

L

S

P

E

E

A

E

D

T

M

I

Q

S

K

A

A

A

I

K

A

E

A

S

D

D

A

A

V

V

L

L

F

L

G

G

A

A

V
x
I

G
|
G

P
x
Y

K
|
K

W
|
W

D
|
D

S
x
N

V
x
N

P
x
E

Y
x
K

E
x
H

V
x
L

R
|
R

P
|
P

E
|
E

A

K

G

G

L
|
L

R

Q

L

I

R
|
R

K

A

D

A

L

L

Q

K

L

V

F

F

A

A

N

N

L

L

R
|
R

P

P

A

A

I

T

C

V

Y

L

P

P

A

Q

L

L

A

V

A

D

A

A

S

S

S

T

L

L

K

K

P

R

E

E

L

V

V

A

E

E

G

G

L

V

D

D

I

L

L

M

I

V

R
|
R

E

E

L

L

T

T

G

G

V

I

Y
|
Y

F

F

G

G

E

E

P

P

K

R

E

G

I

I

I

K

D

T

L

N

G

E

N

N

G

G

Q

E

K

E

R

V

G

G

I

F

D

N

T

T

Q

E

V

V

Y

Y

D

A

T

A

Y

H

E

E

I

I

E

D

R

R

I

I

A

A

G

R

V

V

A

A

F

F

E

E

M

T

A

A

R

R

T

K

R

R

Q

R

N

G

R

K

V

L

C

C

S

S

M

V

E

D

K
|
K

R

A

N
|
N

V
|
V

M

L

K

E

S

A

G

S

V

I

L

L

W

W

N

R

Q

K

V

R

V

V

T

T

E

-

T

A

H

L

K

A

A

S

K

E

Y

Y

S

P

D

D

V

V

Q

E

L

L

E

S

H

H

M

M

L

Y

A

V

D
|
D

A
x
N

G

A

M

M

Q

Q

L

L

V

V

R

R

Q

D

P

P

K

K

Q

Q

F

F

D

D

V

T

I

I

V

V

T

T

D

N

N

N

L

I

F

F

G

G

D
|
D

M

I

L

L

S

S

D
|
D

V

E

A

A

A

S

M

M

L

I

T

T

G

G

S

S

L

I

G

G

M

M

L

L

P

P

S

S

A

A

S

S

L

L

G

S

A

-

P

-

D

D

G

S

K

G

T

P

G

G

K

-

R

-

K

-

A

-

L

L

Y

F

E
|
E

P
|
P

V
x
I

H
|
H

G
|
G

S
|
S

A
|
A

P
|
P

D
|
D

I
|
I

A
|
A

G
|
G

K
x
Q

G
x
D

I
x
K

A
|
A

N
|
N

P

P

I

L

A

A

M

T

I

I

A

L

S

S

F

A

A

A

M

M

C

L

L

L

R

K

Y

Y

S

G

F

L

N

G

L

E

V

E

K

K

E

A

A

A

D

K

D

R

L

I

E

E

K

D

A

A

I

V

A

L

N

V

V

A

L

L

D

N

K

N

G

G

I

F

R

R

T

T

G

G

D

D

I

I

M

Y

A

S

D

A

G

G

A

T

R

K

Q

L

V

V

G

G

T

C

I

K

E

E

M

M

G

G

D

E

A

E

I

V

L

L

114:129 (vs. 75:90, 50% identical) binding NAD(+)
L132 (= L93) mutation to A: Reduced activity toward 3-isopropylmalate.
L133 (= L94) 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 (= R135) binding substrate; mutation to A: Loss of activity toward 3-isopropylmalate.; mutation to K: Reduced activity toward 3-isopropylmalate.
Y181 (= Y142) Important for catalysis; mutation Y->A,F,H: Reduced activity toward 3-isopropylmalate.
K232 (= K193) Important for catalysis; mutation to M: Loss of activity toward 3-isopropylmalate.
N234 (= N195) binding NAD(+); mutation N->A,D: Loss of activity toward 3-isopropylmalate.
V235 (= V196) mutation to A: Reduced activity toward 3-isopropylmalate.
D264 (= D226) binding Mg(2+); binding substrate; mutation to N: Loss of activity toward 3-isopropylmalate.
N265 (≠ A227) binding NAD(+)
D288 (= D250) binding Mg(2+); mutation to N: Loss of activity toward 3-isopropylmalate.
D292 (= D254) binding Mg(2+); mutation to N: Reduced activity toward 3-isopropylmalate.
318:334 (vs. 286:302, 76% identical) binding NAD(+)

5j33A Isopropylmalate dehydrogenase in complex with NAD+ (see paper)
49% identity, 97% coverage: 5:362/370 of query aligns to 4:354/360 of 5j33A

query
sites
5j33A

N

T

L

I

F

T

L

L

P

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

A

V

M

V

G

S

E

I

V

A

R

K

K

N

I

V

I

L

A

Q

Y

Q

M

A

N

G

E

S

A

L

M

E

N

G

A

V

G

E

F

F

V

N

T

F

D

R

E

E

G

M

L

P

V

I

G

G

C

A

A

A

Y

L

D

D

A

L

H

V

G

G

A

V

A

P

I

L

S

P

E

E

A

E

D

T

M

I

Q

S

K

A

A

A

I

K

A

E

A

S

D

D

A

A

V

V

L

L

F

L

G

G

A

A

V
x
I

G

G

P

Y

K

K

W

W

D

D

S

N

V

N

P

E

Y

K

E

H

V

L

R

R

P

P

E
|
E

A

K

G

G

L
|
L

L

L

R

Q

L

I

R

R

K

A

D

A

L

L

Q

K

L

V

F

F

A

A

N

N

L

L

R

R

P

P

A

A

I

T

C

V

Y

L

P

P

A

Q

L

L

A

V

A

D

A

A

S

S

S

T

L

L

K

K

P

R

E

E

L

V

V

A

E

E

G

G

L

V

D

D

I

L

L

M

I

V

R

R

E

E

L

L

T

T

G

G

V

I

Y
|
Y

F

F

G

G

E

E

P

P

K

R

E

G

I

I

I

K

D

T

L

N

G

E

N

N

G

G

Q

E

K

E

R

V

G

G

I

F

D

N

T

T

Q

E

V

V

Y

Y

D

A

T

A

Y

H

E

E

I

I

E

D

R

R

I

I

A

A

G

R

V

V

A

A

F

F

E

E

M

T

A

A

R

R

T

K

R

R

Q

R

N

G

R

K

V

L

C

C

S

S

M

V

E

D

K
|
K

R

A

N

N

V

V

M

L

K

E

S

A

G

S

V

I

L

L

W

W

N

R

Q

K

V

R

V

V

T

T

E

-

T

A

H

L

K

A

A

S

K

E

Y

Y

S

P

D

D

V

V

Q

E

L

L

E

S

H

H

M

M

L

Y

A

V

D
|
D

A

N

G

A

M

M

Q

Q

L

L

V

V

R

R

Q

D

P

P

K

K

Q

Q

F

F

D

D

V

T

I

I

V

V

T

T

D

N

N

N

L

I

F

F

G

G

D
|
D

M

I

L

L

S

S

D
|
D

V

E

A

A

A

S

M

M

L

I

T

T

G

G

S

S

L
x
I

G

G

M

M

L

L

P

P

S

S

A

A

S

S

L

L

G

S

A

-

P

-

D

D

G

S

K

G

T

P

G

G

K

-

R

-

K

-

A

-

L

L

Y

F

E
|
E

P

P

V

I

H
|
H

G
|
G

S
|
S

A
|
A

P

P

D

D

I
|
I

A

A

G

G

K

Q

G

D

I

K

A

A

N
|
N

P

P

I

L

A

A

M

T

I

I

A

L

S

S

F

A

A

A

M

M

C

L

L

L

R

K

Y

Y

S

G

F

L

N

G

L

E

V

E

K

K

E

A

A

A

D

K

D

R

L

I

E

E

K

D

A

A

I

V

A

L

N

V

V

A

L

L

D

N

K

N

G

G

I

F

R

R

T

T

G

G

D
|
D

I

I

M

Y

A

S

D

A

G

G

A

T

R

K

Q

L

V

V

G

G

T

C

I

K

E

E

M

M

G

G

D

E

A

E

I

V

L

L

active site: Y141 (= Y142), K192 (= K193), D224 (= D226), D248 (= D250), D252 (= D254)
binding magnesium ion: D248 (= D250), D252 (= D254)
binding nicotinamide-adenine-dinucleotide: I74 (≠ V75), E89 (= E90), L92 (= L93), I261 (≠ L263), E278 (= E286), H281 (= H289), G282 (= G290), S283 (= S291), A284 (= A292), I287 (= I295), N294 (= N302), D335 (= D343)

5j32A Isopropylmalate dehydrogenase in complex with isopropylmalate (see paper)
49% identity, 97% coverage: 5:362/370 of query aligns to 14:364/369 of 5j32A

query
sites
5j32A

N

T

L

I

F

T

L

L

L
|
L

P

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

A

V

M

V

G

S

E

I

V

A

R

K

K

N

I

V

I

L

A

Q

Y

Q

M

A

N

G

E

S

A

L

M

E

N

G

A

V

G

E

F

F

V

N

T

F

D

R

E

E

G

M

L

P

V

I

G

G

C

A

A

A

Y

L

D

D

A

L

H

V

G

G

A

V

A

P

I

L

S

P

E

E

A

E

D

T

M

I

Q

S

K

A

A

A

I

K

A

E

A

S

D

D

A

A

V

V

L

L

F

L

G

G

A

A

V

I

G

G

P

Y

K

K

W

W

D

D

S

N

V

N

P

E

Y

K

E

H

V

L

R

R

P

P

E

E

A

K

G

G

L

L

R

Q

L

I

R
|
R

K

A

D

A

L

L

Q

K

L

V

F

F

A

A

N

N

L

L

R

R

P

P

A

A

I

T

C

V

Y

L

P

P

A

Q

L

L

A

V

A

D

A

A

S

S

S

T

L

L

K

K

P

R

E

E

L

V

V

A

E

E

G

G

L

V

D

D

I

L

L

M

I

V

R
|
R

E

E

L

L

T

T

G

G

V

I

Y
|
Y

F

F

G

G

E

E

P

P

K

R

E

G

I

I

I

K

D

T

L

N

G

E

N

N

G

G

Q

E

K

E

R

V

G

G

I

F

D

N

T

T

Q

E

V

V

Y

Y

D

A

T

A

Y

H

E

E

I

I

E

D

R

R

I

I

A

A

G

R

V

V

A

A

F

F

E

E

M

T

A

A

R

R

T

K

R

R

Q

R

N

G

R

K

V

L

C

C

S

S

M

V

E

D

K
|
K

R

A

N

N

V

V

M

L

K

E

S

A

G

S

V

I

L

L

W

W

N

R

Q

K

V

R

V

V

T

T

E

-

T

A

H

L

K

A

A

S

K

E

Y

Y

S

P

D

D

V

V

Q

E

L

L

E

S

H

H

M

M

L

Y

A

V

D
|
D

A

N

G

A

M

M

Q

Q

L

L

V

V

R

R

Q

D

P

P

K

K

Q

Q

F

F

D

D

V

T

I

I

V

V

T

T

D

N

N

N

L

I

F

F

G

G

D
|
D

M

I

L

L

S

S

D
|
D

V

E

A

A

A

S

M

M

L

I

T

T

G

G

S

S

L

I

G

G

M

M

L

L

P

P

S

S

A

A

S

S

L

L

G

S

A

-

P

-

D

D

G

S

K

G

T

P

G

G

K

-

R

-

K

-

A

-

L

L

Y

F

E

E

P

P

V

I

H

H

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

K

Q

G

D

I

K

A

A

N

N

P

P

I

L

A

A

M

T

I

I

A

L

S

S

F

A

A

A

M

M

C

L

L

L

R

K

Y

Y

S

G

F

L

N

G

L

E

V

E

K

K

E

A

A

A

D

K

D

R

L

I

E

E

K

D

A

A

I

V

A

L

N

V

V

A

L

L

D

N

K

N

G

G

I

F

R

R

T

T

G

G

D

D

I

I

M

Y

A

S

D

A

G

G

A

T

R

K

Q

L

V

V

G

G

T

C

I

K

E

E

M

M

G

G

D

E

A

E

I

V

L

L

active site: L18 (= L9), Y151 (= Y142), K202 (= K193), D234 (= D226), D258 (= D250), D262 (= D254)
binding 3-isopropylmalic acid: R106 (= R97), R144 (= R135), Y151 (= Y142), D258 (= D250)
binding magnesium ion: D258 (= D250), D262 (= D254)

1cnzA 3-isopropylmalate dehydrogenase (ipmdh) from salmonella typhimurium (see paper)
50% identity, 96% coverage: 5:361/370 of query aligns to 6:355/363 of 1cnzA

query
sites
1cnzA

N

H

L

I

F

A

L

V

L

L

P

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

A

V

M

M

G

A

E

Q

V

A

R

L

K

K

I

V

I

M

A

D

Y

A

M

V

N

R

E

S

A

R

M

F

N

D

A

M

G

R

F

I

V

T

T

T

D

S

E

H

G

Y

L

D

V

V

G

G

C

I

A

A

Y

I

D

D

A

N

H

H

G

G

A

H

A

P

I

L

S

P

E

K

A

A

D

T

M

V

Q

E

K

G

A

C

I

E

A

Q

A

A

D

D

A

A

V

I

L

L

F

F

G

G

A

S

V

V

G

G

P

P

K

K

W

W

D

E

S

N

V

L

P

P

Y

P

E

E

V

S

R

Q

P

P

E

E

A

R

G

G

-

A

L

L

R

P

L

L

R

R

K

K

D

H

L

F

Q

K

L

L

F

F

A

S

N

N

L

L

R

R

P

P

A

A

I

K

C

L

Y

Y

P

Q

A

G

L

L

A

E

A

A

A

F

S

C

S

P

L

L

K

R

P

A

E

D

L

I

-

A

V

A

E

N

G

G

L

F

D

D

I

I

L

L

I

C

I

V

R

R

E

E

L

L

T

T

G

G

V

I

Y
|
Y

F

F

G

G

E

Q

P

P

K

K

E

G

I

-

D

R

L

E

G

G

N

S

G

G

Q

Q

-

Y

K

E

R

K

G

A

I

F

D

D

T

T

Q

E

V

V

Y

Y

D

H

T

R

Y

F

E

E

I

I

E

E

R

R

I

I

A

A

G

R

V

I

A

A

F

F

E

E

M

S

A

A

R

R

T

K

R

R

Q

R

N

R

R

K

V

V

C

T

S

S

M

I

E

D

K
|
K

R

A

N

N

V

V

M

L

K

Q

S

S

G

S

V

I

L

L

W

W

N

R

Q

E

V

I

V

V

T

N

E

D

T

V

H

A

K

K

A

T

K

-

Y

Y

S

P

D

D

V

V

Q

E

L

L

E

A

H

H

M

M

L

Y

A

I

D
|
D

A

N

G

A

G

T

M

M

Q

Q

L

L

V

I

R

K

Q

D

P

P

K

S

Q

Q

F

F

D

D

V

V

I

L

V

L

T

C

D

S

N

N

L

L

F

F

G

G

D
|
D

M

I

L

L

S

S

D
|
D

V

E

A

C

A

A

M

M

L

I

T

T

G

G

S

S

L

M

G

G

M

M

L

L

P

P

S

S

A

A

S

S

L

L

G

N

A

E

P

-

D

-

G

-

K

-

T

-

G

-

K

Q

R

G

K

F

A

G

L

L

Y

Y

E

E

P

P

V

A

H

G

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

K

K

G

N

I

I

A

A

N

N

P

P

I

I

A

A

M

Q

I

I

A

L

S

S

F

L

A

A

M

L

C

L

L

L

R

R

Y

Y

S

S

F

L

N

D

L

A

V

N

K

D

E

A

A

A

D

T

D

A

L

I

E

E

K

Q

A

A

I

I

A

N

N

R

V

A

L

L

D

E

K

E

G

G

I

V

R

R

T

T

G

G

D

D

I

-

M

L

A

A

D

R

G

G

A

A

R

A

Q

A

V

V

G

S

T

T

I

D

E

E

M

M

G

G

D

D

A

I

I

I

active site: Y145 (= Y142), K195 (= K193), D227 (= D226), D251 (= D250)
binding manganese (ii) ion: D251 (= D250), D255 (= D254)

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)
50% identity, 96% coverage: 5:361/370 of query aligns to 6:355/363 of P37412

query
sites
P37412

N

H

L

I

F

A

L

V

L

L

P

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

A

V

M

M

G

A

E

Q

V

A

R

L

K

K

I

V

I

M

A

D

Y

A

M

V

N

R

E

S

A

R

M

F

N

D

A

M

G

R

F

I

V

T

T

T

D

S

E

H

G

Y

L

D

V

V

G

G

C

I

A

A

Y

I

D

D

A

N

H

H

G

G

A

H

A

P

I

L

S

P

E

K

A

A

D

T

M

V

Q

E

K

G

A

C

I

E

A

Q

A

A

D

D

A

A

V

I

L

L

F

F

G

G

A

S

V

V

G

G

P

P

K

K

W

W

D

E

S

N

V

L

P

P

Y

P

E

E

V

S

R

Q

P

P

E

E

A

R

G

G

-

A

L

L

R

P

L

L

R

R

K

K

D

H

L

F

Q

K

L

L

F

F

A

S

N

N

L

L

R

R

P

P

A

A

I

K

C

L

Y

Y

P

Q

A

G

L

L

A

E

A

A

A

F

S

C

S

P

L

L

K

R

P

A

E

D

L

I

-

A

V

A

E

N

G

G

L

F

D

D

I

I

L

L

I

C

I

V

R

R

E

E

L

L

T

T

G

G

V

I

Y

Y

F

F

G

G

E

Q

P

P

K

K

E

G

I

-

D

R

L

E

G

G

N

S

G

G

Q

Q

-

Y

K

E

R

K

G

A

I

F

D

D

T

T

Q

E

V

V

Y

Y

D

H

T

R

Y

F

E

E

I

I

E

E

R

R

I

I

A

A

G

R

V

I

A

A

F

F

E

E

M

S

A

A

R

R

T

K

R

R

Q

R

N

R

R

K

V

V

C

T

S

S

M

I

E

D

K

K

R

A

N

N

V

V

M

L

K

Q

S

S

G

S

V

I

L

L

W

W

N

R

Q

E

V

I

V

V

T

N

E

D

T

V

H

A

K

K

A

T

K

-

Y

Y

S

P

D

D

V

V

Q

E

L

L

E

A

H

H

M

M

L

Y

A

I

D
|
D

A

N

G

A

G

T

M

M

Q

Q

L

L

V

I

R

K

Q

D

P

P

K

S

Q

Q

F

F

D

D

V

V

I

L

V

L

T

C

D

S

N

N

L

L

F

F

G

G

D
|
D

M

I

L

L

S

S

D
|
D

V

E

A

C

A

A

M

M

L

I

T

T

G

G

S

S

L

M

G

G

M

M

L

L

P

P

S

S

A

A

S

S

L

L

G

N

A

E

P

-

D

-

G

-

K

-

T

-

G

-

K

Q

R

G

K

F

A

G

L

L

Y

Y

E

E

P

P

V

A

H

G

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

K

K

G

N

I

I

A

A

N

N

P

P

I

I

A

A

M

Q

I

I

A

L

S

S

F

L

A

A

M

L

C

L

L

L

R

R

Y

Y

S

S

F

L

N

D

L

A

V

N

K

D

E

A

A

A

D

T

D

A

L

I

E

E

K

Q

A

A

I

I

A

N

N

R

V

A

L

L

D

E

K

E

G

G

I

V

R

R

T

T

G

G

D

D

I

-

M

L

A

A

D

R

G

G

A

A

R

A

Q

A

V

V

G

S

T

T

I

D

E

E

M

M

G

G

D

D

A

I

I

I

D227 (= D226) binding Mn(2+)
D251 (= D250) binding Mn(2+)
D255 (= D254) binding Mn(2+)

6xxyA Crystal structure of haemophilus influenzae 3-isopropylmalate dehydrogenase in complex with o-isobutenyl oxalylhydroxamate. (see paper)
49% identity, 98% coverage: 1:361/370 of query aligns to 1:354/358 of 6xxyA

query
sites
6xxyA

M

M

T

E

A

S

R

Y

N

N

L

I

F

A

L

V

L

L

P

A

G

G

D

D

G

G

I

I

G

G

P

P

E

E

A

V

M

M

G

A

E

E

V

A

R

I

K

K

I

V

I

L

A

N

Y

R

M

V

N

Q

E

E

A

K

M

F

N

G

A

F

G

K

F

L

V

N

T

F

D

N

E

E

G

F

L

F

V

V

G

G

C

A

A

A

Y

I

D

E

A

H

H

C

G

G

A

Y

A

P

I

L

S

P

E

A

A

E

D

T

M

L

Q

K

K

G

A

C

I

D

A

Q

A

A

D

D

A

A

V

I

L

L

F

F

G

G

A
x
S

V
|
V

G
|
G

G

G

P

P

K

K

W

W

D

T

S

N

V

L

P

P

Y

P

E

D

V

Q

R

Q

P

P

E
|
E

A

R

G

G

-

A

L
|
L

L

L

R

P

L

L

R

R

K

K

D

H

L

F

Q

K

L

L

F

F

A

C

N

N

L

L

R
|
R

P

P

A

A

I

T

C

L

Y

Y

P

K

A

G

L

L

A

E

A

K

A

F

S

C

S

P

L

L

K

R

P

A

E

D

L

I

V

A

-

A

E

K

G

G

L

F

D

D

I

M

L

V

I

V

R
|
R

E

E

L

L

T

T

G

G

V

I

Y
|
Y

F

F

G

G

E

Q

P

P

K

K

E

G

I

-

D

R

L

E

G

G

N

D

G

G

-

V

Q

Q

K

T

R

K

G

A

I

F

D

D

T

T

Q

E

V

V

Y

Y

D

Y

T

K

Y

Y

E

E

I

I

E

E

R

R

I

I

A

A

G

R

V

A

A

A

F

F

E

E

M

A

A

A

R

M

T

K

R

R

Q

N

N

K

R

K

V

V

C

T

S

S

M

V

E

D

K
|
K

R

A

N

N

V
|
V

M

L

K

Q

S

S

G

S

V

I

L

L

W

W

N

R

Q

E

V

T

V

V

T

T

E

E

T

M

H

A

K

K

A

-

K

D

Y

Y

S

P

D

E

V

V

Q

T

L

L

E

E

H

H

M

I

L
x
Y

A

I

D
|
D

A
x
N

G

A

G

T

M
|
M

Q

Q

L

L

V

I

R

K

Q

S

P

P

K

E

Q

S

F

F

D

D

V

V

I

L

V

L

T

C

D

S

N

N

L

I

F

F

G

G

D
|
D

M

I

L

I

S

S

D
|
D

V

E

A

A

M

M

L

I

T

T

G

G

S

S

L
x
M

G
|
G

M

M

L

L

P

P

S

S

A

A

S

S

L

L

G

N

A

E

P

-

D

-

G

-

K

-

T

-

G

-

K

E

R

G

K

F

A

G

L

L

Y

Y

E
|
E

P

P

V

A

H
x
G

G
|
G

S
|
S

A
|
A

P
|
P

D
|
D

I
|
I

A

A

G

G

K

K

G

G

I

I

A

A

N
|
N

P

P

I

I

A

A

M

Q

I

I

A

L

S

S

F

A

A

A

M

M

C

M

L

L

R

R

Y

Y

S

S

F

F

N

N

L

L

V

N

K

E

E

A

A

A

D

D

D

A

L

I

E

E

K

S

A

A

I

V

A

Q

N

K

V

V

L

L

D

A

K

S

G

G

I

H

R

R

T

T

G

A

D
|
D

I

-

M

L

A

A

D

D

G

D

A

S

R

T

Q

P

V

V

G

S

T

T

I

A

E

E

M

M

G

G

D

T

A

L

I

I

active site: Y144 (= Y142), K194 (= K193), D226 (= D226), D250 (= D250)
binding magnesium ion: D250 (= D250), D254 (= D254)
binding nicotinamide-adenine-dinucleotide: S74 (≠ A74), V75 (= V75), G76 (= G76), E90 (= E90), L94 (= L93), Y224 (≠ L224), N227 (≠ A227), M230 (= M230), M263 (≠ L263), G264 (= G264), E280 (= E286), G283 (≠ H289), G284 (= G290), S285 (= S291), A286 (= A292), P287 (= P293), D288 (= D294), I289 (= I295), N296 (= N302), D337 (= D343)
binding 2-(2-methylprop-2-enoxyamino)-2-oxidanylidene-ethanoic acid: E90 (= E90), R108 (= R107), R137 (= R135), K194 (= K193), V197 (= V196), D226 (= D226), D250 (= D250)

2y42D Structure of isopropylmalate dehydrogenase from thermus thermophilus - complex with nadh and mn (see paper)
50% identity, 89% coverage: 8:335/370 of query aligns to 6:320/355 of 2y42D

query
sites
2y42D

L

V

L

L

P

P

G

G

D

D

G

G

I
|
I

G

G

P

P

E

E

A

V

M

T

G

E

E

A

V

A

R

L

K

K

I

V

I

L

A

R

Y

A

M

L

N

D

E

E

A

A

M

E

N

G

A

L

G

G

F

L

V

A

T

Y

D

E

E

V

G

F

L

P

V

F

G

G

C

A

A

A

Y

I

D

D

A

A

H

F

G

G

A

E

A

P

I

F

S

P

E

E

A

P

D

T

M

R

Q

K

K

G

A

V

I

E

A

E

A

A

D

E

A

A

V

V

L

L

F

L

G

G

A

S

V

V

G

G

P

P

K

K

W

W

D
|
D

S

G

V

L

P

P

Y

R

E

K

V

I

R

R

P

P

E

E

A

T

G

G

L

L

R

S

L

L

R

R

K

K

D

S

L

Q

Q

D

L

L

F

F

A

A

N

N

L

L

R

R

P

P

A

A

I

K

C

V

Y

F

P

P

A

G

L

L

A

E

A

R

A

L

S

S

S

P

L

L

K

K

P

E

E

E

L

I

V

A

E

R

G

G

L

V

D

D

I

V

L

L

I

I

I

V

R

R

E

E

L

L

T

T

G

G

V

I

Y
|
Y

F

F

G

G

E

E

P

P

K

R

E

-

I

-

D

-

L

-

G

G

N

M

G

S

Q

E

K

A

R

E

G

A

I

W

D

N

T

T

Q

E

V

R

Y

Y

D

S

T

K

Y

P

E

E

I

V

E

E

R

R

I

V

A

A

G

R

V

V

A

A

F

F

E

E

M

A

A

A

R

R

T

K

R

R

Q

R

N

K

R

H

V

V

C

V

S

S

M

V

E

D

K
|
K

R

A

N

N

V

V

M

L

K

E

S

V

G

G

V

E

L

F

W

W

N

R

Q

K

V

T

V

V

T

E

E

E

T

V

H

G

K

R

A

G

K

-

Y

Y

S

P

D

D

V

V

Q

A

L

L

E

E

H

H

M

Q

L

Y

A

V

D
|
D

A

A

G

M

G

A

M

M

Q

H

L

L

V

V

R

R

Q

S

P

P

K

A

Q

R

F

F

D

D

V

V

I

V

V

V

T

T

D

G

N

N

L

I

F

F

G

G

D
|
D

M

I

L

L

S

S

D
|
D

V

L

A

A

A

S

M

V

L

L

T

P

G

G

S

S

L

L

G

G

M

L

L

L

P

P

S

S

A

A

S

S

L

L

G

-

A

-

P

-

D

-

G

-

K

-

T

-

G

G

K

R

R

G

K

T

A

P

L

V

Y

F

E

E

P

P

V

V

H
|
H

G
|
G

S

S

A
|
A

P

P

D
|
D

I
|
I

A

A

G

G

K

K

G

G

I

I

A

A

N
|
N

P

P

I

T

A

A

M

A

I

I

A

L

S

S

F

A

A

A

M

M

C

M

L

L

R

E

Y

H

S

A

F

F

N

G

L

L

V

V

K

E

E

L

A

A

D

R

D

K

L

V

E

E

K

D

A

A

I

V

A

A

N

K

V

A

L

L

active site: Y140 (= Y142), K186 (= K193), D218 (= D226), D242 (= D250), D246 (= D254)
binding manganese (ii) ion: D242 (= D250), D246 (= D254)
binding nicotinamide-adenine-dinucleotide: I12 (= I14), D79 (= D81), H274 (= H289), G275 (= G290), A277 (= A292), D279 (= D294), I280 (= I295), N287 (= N302)

2ztwA Structure of 3-isopropylmalate dehydrogenase in complex with the inhibitor and NAD+ (see paper)
50% identity, 89% coverage: 8:335/370 of query aligns to 5:319/345 of 2ztwA

query
sites
2ztwA

L

V

L

L

P

P

G

G

D

D

G

G

I
|
I

G

G

P

P

E

E

A

V

M

T

G

E

E

A

V

A

R

L

K

K

I

V

I

L

A

R

Y

A

M

L

N

D

E

E

A

A

M

E

N

G

A

L

G

G

F

L

V

A

T

Y

D

E

E

V

G

F

L

P

V

F

G

G

C

A

A

A

Y

I

D

D

A

A

H

F

G

G

A

E

A

P

I

F

S

P

E

E

A

P

D

T

M

R

Q

K

K

G

A

V

I

E

A

E

A

A

D

E

A

A

V

V

L

L

F

L

G

G

A

S

V

V

G

G

P

P

K

K

W

W

D

D

S

G

V

L

P

P

Y

R

E

K

V

I

R

R

P

P

E

E

A

T

G

G

L

L

R

S

L

L

R

R

K

K

D

S

L

Q

Q

D

L

L

F

F

A

A

N

N

L

L

R

R

P

P

A

A

I

K

C

V

Y

F

P

P

A

G

L

L

A

E

A

R

A

L

S

S

S

P

L

L

K

K

P

E

E

E

L

I

V

A

E

R

G

G

L

V

D

D

I

V

L

L

I

I

I

V

R

R

E

E

L

L

T

T

G

G

V

I

Y
|
Y

F

F

G

G

E

E

P

P

K

R

E

-

I

-

D

-

L

-

G

G

N

M

G

S

Q

E

K

A

R

E

G

A

I

W

D

N

T

T

Q

E

V

R

Y

Y

D

S

T

K

Y

P

E

E

I

V

E

E

R

R

I

V

A

A

G

R

V

V

A

A

F

F

E

E

M

A

A

A

R

R

T

K

R

R

Q

R

N

K

R

H

V

V

C

V

S

S

M

V

E

D

K
|
K

R

A

N

N

V

V

M

L

K

E

S

V

G

G

V

E

L

F

W

W

N

R

Q

K

V

T

V

V

T

E

E

E

T

V

H
x
G

K

R

A

G

K

-

Y
|
Y

S

P

D

D

V
|
V

Q

A

L

L

E

E

H

H

M

Q

L

Y

A

V

D
|
D

A

A

G

M

G

A

M

M

Q

H

L

L

V

V

R

R

Q

S

P

P

K

A

Q

R

F

F

D

D

V

V

I

V

V

V

T

T

D

G

N

N

L

I

F

F

G

G

D
|
D

M

I

L

L

S

S

D
|
D

V

L

A

A

A

S

M

V

L

L

T

P

G

G

S

S

L

L

G

G

M

L

L

L

P

P

S

S

A

A

S

S

L

L

G

-

A

-

P

-

D

-

G

-

K

-

T

-

G

G

K

R

R

G

K

T

A

P

L

V

Y

F

E

E

P

P

V

V

H
|
H

G
|
G

S

S

A
|
A

P

P

D
|
D

I
|
I

A

A

G

G

K

K

G

G

I

I

A
|
A

N
|
N

P

P

I

T

A

A

M

A

I

I

A

L

S

S

F

A

A

A

M

M

C

M

L

L

R

E

Y

H

S

A

F

F

N

G

L

L

V

V

K

E

E

L

A

A

D

R

D

K

L

V

E

E

K

D

A

A

I

V

A

A

N

K

V

A

L

L

active site: Y139 (= Y142), K185 (= K193), D217 (= D226), D241 (= D250), D245 (= D254)
binding magnesium ion: G203 (≠ H211), Y206 (= Y215), V209 (= V218)
binding nicotinamide-adenine-dinucleotide: I11 (= I14), H273 (= H289), G274 (= G290), A276 (= A292), D278 (= D294), I279 (= I295), A285 (= A301), N286 (= N302)

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)
50% identity, 89% coverage: 8:335/370 of query aligns to 5:319/345 of Q5SIY4

query
sites
Q5SIY4

L

V

L

L

P

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

A

V

M

T

G

E

E

A

V

A

R

L

K

K

I

V

I

L

A

R

Y

A

M

L

N

D

E

E

A

A

M

E

N

G

A

L

G

G

F

L

V

A

T

Y

D

E

E

V

G

F

L

P

V

F

G

G

C

A

A

A

Y

I

D

D

A

A

H

F

G

G

A

E

A

P

I

F

S

P

E

E

A

P

D

T

M

R

Q

K

K

G

A

V

I

E

A

E

A

A

D

E

A

A

V

V

L

L

F

L

G

G

A

S

V

V

G

G

G
|
G

P
|
P

K
|
K

W
|
W

D
|
D

S
x
G

V
x
L

P
|
P

Y
x
R

E
x
K

V
x
I

R
|
R

P
|
P

E
|
E

A

T

G

G

L

L

R

S

L

L

R

R

K

K

D

S

L

Q

Q

D

L

L

F

F

A

A

N

N

L

L

R

R

P

P

A

A

I

K

C

V

Y

F

P

P

A

G

L

L

A

E

A

R

A

L

S

S

S

P

L

L

K

K

P

E

E

E

L

I

V

A

E

R

G

G

L

V

D

D

I

V

L

L

I

I

I

V

R

R

E

E

L

L

T

T

G

G

V

I

Y
|
Y

F

F

G

G

E

E

P

P

K

R

E

-

I

-

D

-

L

-

G

G

N

M

G

S

Q

E

K

A

R

E

G

A

I

W

D

N

T

T

Q

E

V

R

Y

Y

D

S

T

K

Y

P

E

E

I

V

E

E

R

R

I

V

A

A

G

R

V

V

A

A

F

F

E

E

M

A

A

A

R

R

T

K

R

R

Q

R

N

K

R

H

V

V

C

V

S

S

M

V

E

D

K

K

R

A

N

N

V

V

M

L

K

E

S

V

G

G

V

E

L

F

W

W

N

R

Q

K

V

T

V

V

T

E

E

E

T

V

H

G

K

R

A

G

K

-

Y

Y

S

P

D

D

V

V

Q

A

L

L

E

E

H

H

M

Q

L

Y

A

V

D

D

A

A

G

M

G

A

M

M

Q

H

L

L

V

V

R

R

Q

S

P

P

K

A

Q

R

F

F

D

D

V

V

I

V

V

V

T

T

D

G

N

N

L

I

F

F

G

G

D

D

M

I

L

L

S

S

D

D

V

L

A

A

A

S

M

V

L

L

T

P

G

G

S

S

L

L

G

G

M

L

L

L

P

P

S

S

A

A

S

S

L

L

G

-

A

-

P

-

D

-

G

-

K

-

T

-

G

G

K

R

R

G

K

T

A

P

L

V

Y

F

E

E

P

P

V

V

H

H

G
|
G

S
|
S

A
|
A

P
|
P

D
|
D

I
|
I

A
|
A

G
|
G

K
|
K

G
|
G

I
|
I

A
|
A

N
|
N

P

P

I

T

A

A

M

A

I

I

A

L

S

S

F

A

A

A

M

M

C

M

L

L

R

E

Y

H

S

A

F

F

N

G

L

L

V

V

K

E

E

L

A

A

D

R

D

K

L

V

E

E

K

D

A

A

I

V

A

A

N

K

V

A

L

L

74:87 (vs. 77:90, 64% identical) binding NAD(+)
Y139 (= Y142) mutation to F: Large decrease in activity and a small decrease in substrate affinity.
274:286 (vs. 290:302, 100% identical) binding NAD(+)

2y41A Structure of isopropylmalate dehydrogenase from thermus thermophilus - complex with ipm and mn (see paper)
50% identity, 89% coverage: 8:335/370 of query aligns to 6:320/346 of 2y41A

query
sites
2y41A

L

V

L

L

P

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

A

V

M

T

G

E

E

A

V

A

R

L

K

K

I

V

I

L

A

R

Y

A

M

L

N

D

E

E

A

A

M

E

N

G

A

L

G

G

F

L

V

A

T

Y

D

E

E

V

G

F

L

P

V

F

G

G

C

A

A

A

Y

I

D

D

A

A

H

F

G

G

A

E

A

P

I

F

S

P

E

E

A

P

D

T

M

R

Q

K

K

G

A

V

I

E

A

E

A

A

D

E

A

A

V

V

L

L

F

L

G

G

A

S

V

V

G

G

P

P

K

K

W

W

D

D

S

G

V

L

P

P

Y

R

E

K

V

I

R

R

P

P

E

E

A

T

G

G

L

L

R

S

L

L

R
|
R

K

K

D

S

L

Q

Q

D

L

L

F

F

A

A

N

N

L

L

R
|
R

P

P

A

A

I

K

C

V

Y

F

P

P

A

G

L

L

A

E

A

R

A

L

S

S

S

P

L

L

K

K

P

E

E

E

L

I

V

A

E

R

G

G

L

V

D

D

I

V

L

L

I

I

I

V

R
|
R

E

E

L

L

T

T

G

G

V

I

Y
|
Y

F

F

G

G

E

E

P

P

K

R

E

-

I

-

D

-

L

-

G

G

N

M

G

S

Q

E

K

A

R

E

G

A

I

W

D

N

T

T

Q

E

V

R

Y

Y

D

S

T

K

Y

P

E

E

I

V

E

E

R

R

I

V

A

A

G

R

V

V

A

A

F

F

E

E

M

A

A

A

R

R

T

K

R

R

Q

R

N

K

R

H

V

V

C

V

S

S

M

V

E

D

K
|
K

R

A

N

N

V

V

M

L

K

E

S

V

G

G

V

E

L

F

W

W

N

R

Q

K

V

T

V

V

T

E

E

E

T

V

H

G

K

R

A

G

K

-

Y

Y

S

P

D

D

V

V

Q

A

L

L

E

E

H

H

M

Q

L

Y

A

V

D
|
D

A

A

G

M

G

A

M

M

Q

H

L

L

V

V

R

R

Q

S

P

P

K

A

Q

R

F

F

D

D

V

V

I

V

V

V

T

T

D

G

N

N

L

I

F

F

G

G

D
|
D

M

I

L

L

S

S

D
|
D

V

L

A

A

A

S

M

V

L

L

T

P

G

G

S

S

L

L

G

G

M

L

L

L

P

P

S

S

A

A

S

S

L

L

G

-

A

-

P

-

D

-

G

-

K

-

T

-

G

G

K

R

R

G

K

T

A

P

L

V

Y

F

E

E

P

P

V

V

H

H

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

K

K

G

G

I

I

A

A

N

N

P

P

I

T

A

A

M

A

I

I

A

L

S

S

F

A

A

A

M

M

C

M

L

L

R

E

Y

H

S

A

F

F

N

G

L

L

V

V

K

E

E

L

A

A

D

R

D

K

L

V

E

E

K

D

A

A

I

V

A

A

N

K

V

A

L

L

active site: Y140 (= Y142), K186 (= K193), D218 (= D226), D242 (= D250), D246 (= D254)
binding 3-isopropylmalic acid: R95 (= R97), R105 (= R107), R133 (= R135), Y140 (= Y142), D242 (= D250)

3vkzA 3-isopropylmalate dehydrogenase from shewanella oneidensis mr-1 at atmospheric pressure (see paper)
46% identity, 97% coverage: 2:361/370 of query aligns to 1:356/364 of 3vkzA

query
sites
3vkzA

T

S

A

S

R

Y

N

Q

L

I

F

A

L

V

L

L

P

A

G

G

D

D

G

G

I

I

G

G

P

P

E

E

A

V

M

M

G

A

E

E

V

A

R

R

K

K

I

V

I

L

A

K

Y

A

M

V

N

E

E

A

A

R

M

F

N

G

A

L

G

N

F

I

V

E

T

Y

D

T

E

E

G

Y

L

D

V

V

G

G

C

I

A

A

Y

I

D

D

A

N

H

H

G

G

A

C

A

P

I

L

S

P

E

E

A

A

D

T

M

L

Q

K

K

G

A

C

I

E

A

A

D

D

A

A

V

I

L

L

F

F

G

G

A

S

V

V

G

G

P

P

K

K

W

W

D

E

S

K

V

L

P

P

Y

P

E

N

V

E

R

Q

P

P

E

E

A

R

G

G

-

A

L

L

R

P

L

L

R
|
R

K

G

D

H

L

F

Q

E

L

L

F

F

A

C

N

N

L

L

R

R

P

P

A

A

I

K

C

L

Y

H

P

D

A

G

L

L

A

E

A

H

A

M

S

S

S

P

L

L

K

R

P

S

E

D

L

I

-

S

V

A

E

R

G

G

L

F

D

D

I

V

L

L

I

C

I

V

R
|
R

E

E

L

L

T

T

G

G

V

I

Y
|
Y

F

F

G

G

E

K

P

P

K

K

E

G

I

R

I

Q

D

G

L

E

G

G

N

E

G

S

Q

E

K

E

R

-

G

A

I

F

D

D

T

T

Q

M

V

R

Y

Y

D

S

T

R

Y

R

E

E

I

I

E

S

R

R

I

I

A

A

G

R

V

I

A

A

F

F

E

E

M

A

A

A

R

R

T

G

R

R

Q

R

N

K

R

K

V

V

C

T

S

S

M

V

E

D

K
|
K

R

A

N

N

V

V

M

L

K

A

S

C

G

S

V

V

L

L

W

W

N

R

Q

Q

V

V

T

E

E

E

T

V

H

-

K

A

A

V

K

D

Y

F

S

P

D

D

V

V

Q

E

L

L

E

E

H

H

M

I

L

Y

A

I

D
|
D

A

N

G

A

G

T

M

M

Q

Q

L

L

V

L

R

R

Q

R

P

P

K

D

Q

E

F

F

D

D

V

V

I

M

V

L

T

C

D

S

N

N

L

L

F

F

G

G

D
|
D

M

I

L

L

S

S

D
|
D

V

E

A

I

A

A

M

M

L

L

T

T

G

G

S

S

L

M

G

G

M

L

L

L

P

S

S

S

A

A

S

S

L

M

G

N

A

S

P

-

D

-

G

-

K

-

T

T

G

G

K

-

R

-

K

F

A

G

L

L

Y

F

E

E

P

P

V

A

H

G

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

K

K

G

G

I

I

A

A

N

N

P

P

I

I

A

A

M

Q

I

I

A

L

S

S

F

A

A

A

M

L

C

M

L

L

R

R

Y

H

S

S

F

L

N

K

L

Q

V

E

K

E

E

A

A

A

D

S

D

A

L

I

E

E

K

R

A

A

I

V

A

T

N

K

V

A

L

L

D

N

K

S

G

G

I

Y

R

L

T

T

G

G

D

E

I

L

M

L

A

S

D

S

G

D

A

Q

R

R

Q

H

V

K

G

A

-

K

-

T

T

T

I

V

E

Q

M

M

G

G

D

D

A

F

I

I

active site: Y143 (= Y142), K193 (= K193), D225 (= D226), D249 (= D250), D253 (= D254)
binding calcium ion: D249 (= D250), D253 (= D254)
binding 3-isopropylmalic acid: R97 (= R97), R136 (= R135), Y143 (= Y142), D249 (= D250)

3vmkA 3-isopropylmalate dehydrogenase from shewanella benthica db21 mt-2 (see paper)
45% identity, 97% coverage: 2:361/370 of query aligns to 7:362/369 of 3vmkA

query
sites
3vmkA

T

S

A

S

R

Y

N

Q

L

I

F

A

L

V

L

L

P

A

G

G

D

D

G

G

I

I

G

G

P

P

E

E

A

V

M

M

G

A

E

E

V

A

R

R

K

K

I

V

I

L

A

A

Y

A

M

V

N

E

E

K

A

R

M

F

N

D

A

L

G

S

F

I

V

E

T

Y

D

S

E

E

G

Y

L

D

V

V

G

G

C

A

A

A

Y

I

D

D

A

N

H

H

G

G

A

C

A

P

I

L

S

P

E

E

A

A

D

T

M

L

Q

K

K

G

A

C

I

E

A

A

D

D

A

A

V

V

L

L

F

F

G

G

A

S

V

V

G

G

P

P

K

K

W

W

D

E

S

H

V

L

P

P

Y

P

E

N

V

D

R

Q

P

P

E

E

A

R

G

G

-

A

L

L

R

P

L

L

R
|
R

K

G

D

H

L

F

Q

E

L

L

F

F

A

C

N

N

L

M

R

R

P

P

A

A

I

K

C

L

Y

H

P

P

A

G

L

L

A

E

A

H

A

M

S

S

S

P

L

L

K

R

P

S

E

D

L

I

V

S

E

E

-

K

G

G

L

F

D

D

I

I

L

L

I

C

I

V

R
|
R

E

E

L

L

T

T

G

G

V

I

Y
|
Y

F

F

G

G

E

K

P

P

K

K

E

G

I

R

I

Q

D

G

L

E

G

G

N

E

G

N

Q

E

K

E

R

-

G

A

I

F

D

D

T

T

Q

M

V

R

Y

Y

D

S

T

R

Y

K

E

E

I

I

E

R

R

R

I

I

A

A

G

K

V

I

A

A

F

F

E

E

M

S

A

A

R

Q

T

G

R

R

Q

R

N

K

R

K

V

V

C

T

S

S

M

V

E

D

K
|
K

R

A

N
|
N

V

V

M

L

K

A

S

C

G

S

V

V

L

L

W

W

N

R

Q

E

V

V

T

E

E

E

T

V

H

A

K

K

A

-

K

D

Y

Y

S

P

D

D

V

V

Q

E

L

L

E

E

H

H

M

I

L

Y

A

I

D
|
D

A

N

G

A

G

T

M

M

Q

Q

L

L

V

L

R

R

Q

R

P

P

K

N

Q

E

F

F

D

D

V

V

I

M

V

L

T

C

D

S

N

N

L

L

F

F

G

G

D
|
D

M

I

L

V

S

S

D
|
D

V

E

A

I

A

A

M

M

L

L

T

T

G

G

S

S

L

M

G

G

M

L

L

L

P

A

S

S

A

I

S

S

L

M

G

N

A

S

P

-

D

-

G

-

K

-

T

-

G

-

K

Q

R

G

K

F

A

G

L

M

Y

Y

E

E

P

P

V

A

H

G

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

K

Q

G

G

I

I

A

A

N

N

P

P

I

V

A

A

M

Q

I

I

A

L

S

S

F

A

A

A

M

L

C

L

L

L

R

R

Y

H

S

S

F

L

N

K

L

L

V

E

K

D

E

A

A

A

D

L

D

A

L

I

E

E

K

A

A

A

I

V

A

S

N

K

V

A

L

L

D

S

K

D

G

G

I

Y

R

L

T

T

G

C

D

E

I

L

M

L

A

P

D

A

G

S

A

E

R

R

Q

S

V

Q

G

A

-

K

-

S

T

T

I

S

E

Q

M

M

G

G

D

D

A

Y

I

I

active site: Y149 (= Y142), K199 (= K193), D231 (= D226), D255 (= D250), D259 (= D254)
binding 3-isopropylmalic acid: R103 (= R97), R142 (= R135), Y149 (= Y142), K199 (= K193), N201 (= N195), D255 (= D250)

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)
40% identity, 99% coverage: 1:368/370 of query aligns to 1:370/371 of P18869

query
sites
P18869

M

M

T

C

A

A

R

K

N

K

L

I

F

V

L

V

L

L

P

P

G

G

D

D

G

H

I

I

G

G

P

P

E

E

A

I

M

V

G

A

-

S

-

A

-

L

E

E

V

V

R

L

K

K

I

V

A

E

Y

K

M

K

N

R

E

P

A

E

M

L

N

K

A

L

G

E

F

F

V

-

T

-

D

E

E

E

G

H

L

K

V

I

G

G

C

A

A

S

Y

I

D

D

A

A

H

Y

G

G

A
x
T

A

P

I

L

S

T

E

D

A

E

D

T

M

V

Q

K

K

A

A

C

I

L

A

E

A

A

D

D

A

G

V

V

L

L

F

L

G

G

A

A

V

V

G

G

P

P

K

E

W

W

D

T

S

N

V

P

P

-

Y

-

E

N

V

C

R

R

P

P

E

E

A

Q

G

G

L

L

R

K

L

L

R

R

K

K

D

S

L

M

Q

G

L

V

F

W

A

A

N

N

L

L

R

R

P

P

A

C

-

N

I

F

C

A

Y

S

P

K

A

S

L

L

A

V

A

K

A

Y

S

S

S

P

L

L

K

K

P

P

E

E

L

I

V

V

E

E

G

G

L

V

D

D

I

F

L

C

I

V

R

R

E

E

L

L

T

T

G

G

V

C

Y

Y

F

F

G

G

E

E

P

R

K

T

E

E

I

-

D

-

L

-

G

D

N

N

G

G

Q

S

K

G

R

Y

G

A

I

M

D

D

T

T

Q

W

V

P

Y

Y

D

S

T

L

Y

E

E

E

I

V

E

S

R

R

I

I

A

A

G

R

V

L

A

A

F

A

E

W

M

L

A

A

R

E

T

T

R

S

Q

N

N

P

R

P

-

A

-

P

V

V

C

T

S

L

M

L

E

D

K

K

R

A

N

N

V

V

M

L

K

A

S

T

G

S

V

R

L

L

W

W

N

R

Q

K

V

T

V

V

T

A

E

K

T

I

H

F

K

K

A

E

K

E

Y

Y

S

P

D

H

V

L

Q

T

L

L

E

K

H

N

M

Q

L

L

A

I

D

D

A

S

G

A

M

M

Q

L

L

L

V

V

R

K

Q

S

P

P

K

R

Q

T

F

L

D

N

-

G

V

V

I

V

V

L

T

T

D

D

N

N

L

L

F

F

G

G

D

D

M

I

L

I

S

S

D

D

V

E

A

A

A

S

M

V

L

I

T

P

G

G

S

S

L

L

G

G

M

L

L

L

P

P

S

S

A

A

S

S

L

L

G

S

A

G

P

V

D

V

G

G

K

K

T

S

G

E

K

E

R

K

-

V

K

H

A

C

L

L

Y

V

E

E

P

P

V

I

H

H

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

K

K

G

G

I

I

A

V

N

N

P

P

I

V

A

G

M

T

I

I

A

L

S

S

F

A

A

S

M

L

C

L

L

L

R

R

Y

Y

S

G

F

L

N

N

L

A

V

P

K

K

E

E

A

A

D

E

D

A

L

I

E

E

K

A

A

A

I

V

A

R

N

K

V

V

L

L

D

D

-

D

-

T

-

S

-

I

-

G

K

R

G

G

I

L

R

Y

T

T

G

R

D

D

I

L

M

G

A

G

D

E

G

A

A

S

R

-

Q

-

V

-

G

-

T

T

I

A

E

D

M

I

G

T

D

K

A

A

I

V

L

V

A

E

E

E

F

L

K

E

T

K

L

I

T55 (≠ A54) modified: Phosphothreonine

4yb4A Crystal structure of homoisocitrate dehydrogenase from thermus thermophilus in complex with homoisocitrate, magnesium ion (ii) and nadh
35% identity, 99% coverage: 3:368/370 of query aligns to 1:333/333 of 4yb4A

query
sites
4yb4A

A

A

R

Y

N

R

L

I

F

C

L

L

L

I

P

E

G

G

D

D

G

G

I
|
I

G

G

P

H

E

E

A

V

M

I

G

P

E

A

V

A

R

R

K

R

I

V

I

L

A

-

Y

-

M

-

N

-

E

E

A

A

M

T

N

G

A

L

G

P

F

L

V

E

T

F

D

V

E

E

G

A

L

E

V

A

G

G

G

W

C

E

A

T

Y

F

D

E

A

R

H

R

G

G

A

T

A

S

I

V

S

P

E

E

A

E

D

T

M

V

Q

E

K

K

A

I

I

L

A

S

A

C

D

H

A

A

V

T

L

L

F

F

G

G

A

A

V
x
A

G
x
T

G
x
S

P

P

K

T

W

R

D

K

S

V

V

P

P

G

Y

F

E

-

V

-

R

-

P

-

E

-

A

F

G

G

L

A

L

I

R
|
R

-

Y

L

L

R
|
R

K

R

D

R

L

L

Q

D

L

L

F

Y

A

A

N

N

L

V

R
|
R

P

P

A

A

I

K

C

S

Y

R

P

P

A

V

L

-

A

-

S

-

L

-

K

-

P

P

E

G

L

S

V

R

E

P

G

G

L

V

D

D

I

L

L

V

I

I

I

V

R
|
R

E

E

L

N

T

T

G

E

G

G

V

L

Y
|
Y

F

V

G

E

E

Q

P

E

K

R

E

R

I

Y

I

L

D

D

L

V

G

A

N

-

G

-

Q

-

K

-

R

-

G

-

I

I

D

A

T

D

Q

A

V

V

Y

I

D

S

T

K

Y

K

E

A

I

S

E

E

R

R

I

I

A

G

G

R

V

A

A

A

F

L

E

R

M

I

A

A

R

E

T

G

R

R

Q

P

N

R

R

K

V

T

C

L

S

H

M

I

-

A

E

H

K
|
K

R

A

N

N

V

V

M

L

K

P

-

L

S

T

G

Q

V

G

L

L

W

F

N

L

Q

D

V

T

V

V

T

K

E

E

T

V

H

A

K

K

A

-

K

D

Y

F

S

P

D

L

V

V

Q

N

L

V

E

Q

H

D

M

I

L
x
I

A

V

D
|
D

A
x
N

G

C

G

A

M

M

Q

Q

L

L

V

V

R

M

Q

R

P

P

K

E

Q

R

F

F

D

D

V

V

I

I

V

V

T

T

D

T

N

N

L

L

F

L

G

G

D
|
D

M

I

L

L

S

S

D
|
D

V

L

A

A

M

G

L

L

T

V

G

G

S

G

L
|
L

G

G

M

L

L

-

P

-

S

-

A

-

S

-

L

-

G

-

A

A

P

P

D

S

G

G

K

N

T

I

G

G

K

D

R

T

K

T

A

A

L

V

Y

F

E
|
E

P

P

V

V

H
|
H

G
|
G

S
|
S

A
|
A

P

P

D
|
D

I
|
I

A

A

G

G

K

K

G

G

I

I

A

A

N
|
N

P

P

I

T

A

A

M

A

I

I

A

L

S

S

F

A

A

A

M

M

C

M

L

L

R

D

Y

Y

S

-

F

L

N

G

L

E

V

K

K

E

E

A

A

A

D

K

D

R

L

V

E

E

K

K

A

A

I

V

A

D

N

L

V

V

L

L

D

E

K

R

G

G

I

P

R

R

T

T

G

P

D
|
D

I

L

M

G

A

G

D

D

G

A

A

T

R

T

Q

E

V

A

G

F

T

T

I

-

E

-

M

-

G

-

D

E

A

A

I

V

L

V

A

E

E

A

F

L

K

K

T

S

L

L

active site: Y124 (= Y142), K170 (= K193), D203 (= D226), D227 (= D250), D231 (= D254)
binding (1R,2S)-1-hydroxybutane-1,2,4-tricarboxylic acid: S71 (≠ G77), R84 (= R95), R87 (= R97), R97 (= R107), R117 (= R135), Y124 (= Y142), D227 (= D250)
binding 1,4-dihydronicotinamide adenine dinucleotide: I12 (= I14), A69 (≠ V75), T70 (≠ G76), S71 (≠ G77), I201 (≠ L224), N204 (≠ A227), L240 (= L263), E256 (= E286), H259 (= H289), G260 (= G290), S261 (= S291), A262 (= A292), D264 (= D294), I265 (= I295), N272 (= N302), D312 (= D343)

Query Sequence

>WP_012759505.1 NCBI__GCF_000023185.1:WP_012759505.1
MTARNLFLLPGDGIGPEAMGEVRKIIAYMNEAMNAGFVTDEGLVGGCAYDAHGAAISEAD
MQKAIAADAVLFGAVGGPKWDSVPYEVRPEAGLLRLRKDLQLFANLRPAICYPALAAASS
LKPELVEGLDILIIRELTGGVYFGEPKEIIDLGNGQKRGIDTQVYDTYEIERIAGVAFEM
ARTRQNRVCSMEKRNVMKSGVLWNQVVTETHKAKYSDVQLEHMLADAGGMQLVRQPKQFD
VIVTDNLFGDMLSDVAAMLTGSLGMLPSASLGAPDGKTGKRKALYEPVHGSAPDIAGKGI
ANPIAMIASFAMCLRYSFNLVKEADDLEKAIANVLDKGIRTGDIMADGARQVGTIEMGDA
ILAEFKTLSA

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