SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_110804456.1 NCBI__GCF_003217355.1:WP_110804456.1 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)

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)
52% identity, 99% coverage: 5:369/369 of query aligns to 44:401/405 of P93832

query
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114:129 (vs. 75:90, 38% 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 (= N227) 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. 285:301, 88% identical) binding NAD(+)

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)
52% identity, 99% coverage: 5:369/369 of query aligns to 45:402/404 of Q9SA14

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

5j33A Isopropylmalate dehydrogenase in complex with NAD+ (see paper)
53% identity, 98% coverage: 5:367/369 of query aligns to 4:359/360 of 5j33A

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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 (= E285), H281 (= H288), G282 (= G289), S283 (= S290), A284 (= A291), I287 (= I294), N294 (= N301), D335 (= D342)

5j32A Isopropylmalate dehydrogenase in complex with isopropylmalate (see paper)
53% identity, 98% coverage: 5:367/369 of query aligns to 14:369/369 of 5j32A

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G

G

P

Y

K

K

Y

W

D

D

V

N

L

N

D

E

F

K

S

H

V

L

K

R

P

P

E

E

R

K

G

G

L

L

R

Q

L

I

R
|
R

K

A

E

A

M

L

D

K

L

V

Y

F

A

A

N

N

L

L

R

R

P

P

A

A

Q

T

C

V

F

L

D

P

A

Q

L

L

A

V

D

D

F

A

S

S

S

T

L

L

K

K

K

R

D

E

V

V

V

A

A

E

G

G

L

V

D

D

I

L

M

M

I

V

V

V

R
|
R

E

E

L

L

T

T

S

G

G

G

V

I

Y
|
Y

F

F

G

G

T

E

P

P

R

R

G

G

I

I

T

K

T

T

Q

N

P

E

D

N

G

G

S

E

R

E

V

V

G

G

I

F

N

N

T

T

Q

E

V

V

Y

Y

T

A

E

H

E

E

I

I

R

D

R

R

V

I

A

A

R

R

S

V

A

A

F

F

E

E

L

T

A

A

R

R

R

K

R

R

N

R

N

G

K

K

V

L

C

C

S

S

M

V

E

D

K
|
K

A

A

N

N

V

V

M

L

E

E

S

A

G

S

I

I

L

L

W

W

R

R

E

K

E

R

V

V

Q

T

W

A

V

L

H

A

D

-

N

S

E

E

Y

Y

P

P

D

D

V

V

E

E

L

L

S

S

H

H

M

M

Y

Y

A

V

D
|
D

N

N

G

A

A

A

M

M

Q

Q

L

L

V

V

R

R

R

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

V

I

L

L

S

S

D
|
D

C

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

-

M

-

A

S

N

D

G

S

R

G

P

P

K

-

A

G

M

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

Q

Q

G

D

K

K

A

A

N

N

P

P

I

L

A

A

C

T

I

I

L

L

S

S

F

A

A

A

M

M

A

L

L

L

R

K

Y

Y

S

G

F

L

D

G

Q

E

G

E

A

K

E

A

A

A

S

K

R

R

L

I

E

E

K

D

A

A

I

V

E

L

K

V

V

A

L

L

A

N

D

N

G

G

V

F

R

R

T

T

A

G

D

D

L

I

M

Y

G

S

P

A

E

-

G

G

G

T

K

K

P

L

V

V

S

G

T

C

T

K

E

E

M

M

G

G

D

E

K

E

I

V

I

L

D

K

A

S

L

V

N

D

A

S

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)

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)
52% identity, 99% coverage: 5:369/369 of query aligns to 48:405/409 of Q9FMT1

query
sites
Q9FMT1

S

N

I

I

L

A

I

L

L

L

A

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

V

V

M

I

A

S

E

V

V

A

K

K

K

N

I

V

I

L

S

Q

W

K

Y

A

G

G

D

S

K

L

R

E

G

G

L

L

S

E

F

F

D

D

V

F

S

K

E

E

D

M

L

P

V

V

G

G

A

A

Y

L

D

D

V

L

H

V

G

G

V

V

P

P

L

L

A

P

D

E

A

E

T

T

M

F

A

T

K

A

A

A

Q

K

E

L

V

S

D

D

A

A

V

I

L

L

G

G

A

A

V

I

G

G

P

Y

K

K

Y

W

D

D

V

K

L

N

D

E

F

K

S

H

V

L

K

R

P

P

E

E

R

M

G

A

L

L

L
x
F

R

Y

L

L

R

R

K

R

E

D

M

L

D

K

L

V

Y

F

A

A

N

N

L

L

R

R

P

P

A

A

Q

T

C

V

F

L

D

P

A

Q

L

L

A

V

D

D

F

A

S

S

S

T

L

L

K

K

D

E

V

V

V

A

A

E

G

G

L

V

D

D

I

M

M

M

I

I

V

V

R

R

E

E

L

L

T

T

S

G

G

G

V

I

Y

Y

F

F

G

G

T

E

P

P

R

R

G

G

I

I

T

T

T

I

Q

N

P

E

D

N

G

G

S

E

R

E

V

V

G

G

I

V

N

S

T

T

Q

E

V

I

Y

Y

T

A

E

H

E

E

I

I

R

D

R

R

V

I

A

A

R

R

S

V

A

A

F

F

E

E

L

T

A

A

R

R

R

K

R

R

N

R

N

G

K

K

V

L

C
|
C

S

S

M

V

E

D

K

K

A

A

N

N

V

V

M

L

E

D

S

A

G

S

I

I

L

L

W

W

R

R

E

K

E

R

V

V

Q

T

W

A

V

L

H

A

D

-

N

S

E

E

Y

Y

P

P

D

D

V

V

E

E

L

L

S

S

H

H

M

M

Y

Y

A

V

D

D

N

N

G

A

A

A

M

M

Q

Q

L

L

V

I

R

R

R

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

V

I

L

L

S

S

D

D

C

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

G

A

E

P

-

M

-

A

-

N

-

G

-

R

S

P

G

K

P

A

G

M

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

Q

Q

G

D

K

K

A

A

N

N

P

P

I

L

A

A

C

T

I

I

L

L

S

S

F

A

A

A

M

M

A

L

L

L

R

K

Y

Y

S

G

F

L

D

G

Q

E

G

E

A

K

E

A

A

A

S

K

R

R

L

I

E

E

K

D

A

A

I

V

E

V

K

D

V

A

L

L

A

N

D

K

G

G

V

F

R

R

T

T

A

G

D

D

L

I

M

Y

G

S

P

P

E

-

G

G

G

N

K

K

P

L

V

V

S

G

T
x
C

T

K

E

E

M

M

G

G

D

E

K

E

I

V

I

L

D

K

A

S

L

V

N

E

A

S

S

K

L

V

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.

1a05A Crystal structure of the complex of 3-isopropylmalate dehydrogenase from thiobacillus ferrooxidans with 3-isopropylmalate (see paper)
54% identity, 98% coverage: 6:366/369 of query aligns to 4:355/357 of 1a05A

query
sites
1a05A

I

I

L

A

I

I

L

F

A

A

G

G

D

D

G

G

I

I

G

G

P

P

E

E

V

I

M

V

A

A

E

A

V

A

K

R

K

Q

I

V

I

L

S

D

W

A

Y

V

G

D

D

Q

K

A

R

A

G

H

L

L

S

G

F

L

D

R

V

C

S

T

E

E

D

G

L

L

V

V

G

G

A

A

Y

L

D

D

V

A

H

S

G

D

V

D

P

P

L

L

A

P

D

A

A

A

T

S

M

L

A

Q

K

L

A

A

Q

M

E

A

V

A

D

D

A

A

V

V

L

I

L

L

G

G

A

A

V

V

G

G

P

P

K

R

Y

W

D

D

V

A

L

Y

D

P

F

P

S

A

V

K

K

R

P

P

E

E

R

Q

G

G

L

L

R

R

L

L

R
|
R

K

K

E

G

M

L

D

D

L

L

Y

Y

A

A

N

N

L

L

R
|
R

P

P

A

A

Q

Q

C

I

F

F

D

P

A

Q

L

L

A

L

D

D

F

A

S

S

S

P

L

L

K

R

K

P

D

E

V

L

V

V

A

R

G

D

L

V

D

D

I

I

M

L

I

V

V

V

R
|
R

E

E

L

L

T

T

S

G

G

D

V

I

Y
|
Y

F

F

G

G

T

Q

P

P

R

R

G

G

I

L

T

E

T

V

Q

I

P

-

D

D

G

G

S

K

R

R

V

R

G

G

I

F

N

N

T

T

Q

M

V

V

Y

Y

T

D

T

E

E

D

E

E

I

I

R

R

V

I

A

A

R

H

S

V

A

A

F

F

E

R

L

A

A

A

R

Q

R

G

R

R

N

R

N

K

K

Q

V

L

C

C

S

S

M

V

E

D

K
|
K

A

A

N

N

V

V

M

L

E

E

S

T

G

T

I

R

L

L

W

W

R

R

E

E

E

V

V

V

Q

T

W

E

V

V

H

A

D

-

N

R

E

D

Y

Y

P

P

D

D

V

V

E

R

L

L

S

S

H

H

M

M

Y

Y

A

V

D
|
D

N

N

G

A

A

A

M

M

Q

Q

L

L

V

I

R

R

R

A

P

P

K

A

Q

Q

F

F

D

D

V

V

I

L

V

L

T

T

D

G

N

N

L

M

F

F

G

G

D
|
D

V

I

L

L

S

S

D
|
D

C

E

A

A

A

S

M

Q

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

G

A

-

P

-

M

-

A

-

N

E

G

G

R

R

P

-

K

-

A

A

M

M

Y

Y

E

E

P

P

V

I

H

H

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

Q

Q

G

D

K

K

A

A

N

N

P

P

I

L

A

A

C

T

I

I

L

L

S

S

F

V

A

A

M

M

A

M

L

L

R

R

Y

H

S

S

F

L

D

N

Q

A

G

E

A

P

E

W

A

A

S

Q

R

R

L

V

E

E

K

A

A

A

I

V

E

Q

K

R

V

V

L

L

A

D

D

Q

G

G

V

L

R

R

T

T

A

A

D

D

L

I

M

A

G

A

P

P

E

-

G

-

G

G

K

T

P

P

V

V

-

I

S

G

T

T

T

K

E

A

M

M

G

G

D

A

K

A

I

V

D

N

A

A

L

L

N

N

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)

Q56268 3-isopropylmalate dehydrogenase; 3-IPM-DH; Beta-IPM dehydrogenase; IMDH; EC 1.1.1.85 from Acidithiobacillus ferrooxidans (Thiobacillus ferrooxidans) (see paper)
54% identity, 98% coverage: 6:366/369 of query aligns to 4:355/358 of Q56268

query
sites
Q56268

I

I

L

A

I

I

L

F

A

A

G

G

D

D

G

G

I

I

G

G

P

P

E

E

V

I

M

V

A

A

E

A

V

A

K

R

K

Q

I

V

I

L

S

D

W

A

Y

V

G

D

D

Q

K

A

R

A

G

H

L

L

S

G

F

L

D

R

V

C

S

T

E

E

D

G

L

L

V

V

G

G

A

A

Y

L

D

D

V

A

H

S

G

D

V

D

P

P

L

L

A

P

D

A

A

A

T

S

M

L

A

Q

K

L

A

A

Q

M

E

A

V

A

D

D

A

A

V

V

L

I

L

L

G

G

A

A

V

V

G

G

P

P

K

R

Y

W

D

D

V

A

L

Y

D

P

F

P

S

A

V

K

K

R

P

P

E

E

R

Q

G

G

L

L

R

R

L

L

R
|
R

K

K

E

G

M

L

D

D

L

L

Y

Y

A

A

N

N

L

L

R
|
R

P

P

A

A

Q

Q

C

I

F

F

D

P

A

Q

L

L

A

L

D

D

F

A

S

S

S

P

L

L

K

R

K

P

D

E

V

L

V

V

A

R

G

D

L

V

D

D

I

I

M

L

I

V

V

V

R
|
R

E

E

L

L

T

T

S

G

G

D

V

I

Y

Y

F

F

G

G

T

Q

P

P

R

R

G

G

I

L

T

E

T

V

Q

I

P

-

D

D

G

G

S

K

R

R

V

R

G

G

I

F

N

N

T

T

Q

M

V

V

Y

Y

T

D

T

E

E

D

E

E

I

I

R

R

V

I

A

A

R

H

S

V

A

A

F

F

E

R

L

A

A

A

R

Q

R

G

R

R

N

R

N

K

K

Q

V

L

C

C

S

S

M

V

E

D

K

K

A

A

N

N

V

V

M

L

E

E

S

T

G

T

I

R

L

L

W

W

R

R

E

E

E

V

V

V

Q

T

W

E

V

V

H

A

D

-

N

R

E

D

Y

Y

P

P

D

D

V

V

E

R

L

L

S

S

H

H

M

M

Y

Y

A

V

D
|
D

N

N

G

A

A

A

M

M

Q

Q

L

L

V

I

R

R

R

A

P

P

K

A

Q

Q

F

F

D

D

V

V

I

L

V

L

T

T

D

G

N

N

L

M

F

F

G

G

D
|
D

V

I

L

L

S

S

D

D

C

E

A

A

A

S

M

Q

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

G

A

-

P

-

M

-

A

-

N

E

G

G

R

R

P

-

K

-

A

A

M

M

Y

Y

E

E

P

P

V

I

H

H

G

G

S

S

A

A

P

P

D

D

I

I

A

A

G

G

Q

Q

G

D

K

K

A

A

N

N

P

P

I

L

A

A

C

T

I

I

L

L

S

S

F

V

A

A

M

M

A

M

L

L

R

R

Y

H

S

S

F

L

D

N

Q

A

G

E

A

P

E

W

A

A

S

Q

R

R

L

V

E

E

K

A

A

A

I

V

E

Q

K

R

V

V

L

L

A

D

D

Q

G

G

V

L

R

R

T

T

A

A

D

D

L

I

M

A

G

A

P

P

E

-

G

-

G

G

K

T

P

P

V

V

-

I

S

G

T

T

T

K

E

A

M

M

G

G

D

A

K

A

I

V

D

N

A

A

L

L

N

N

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

4iwhA Crystal structure of a 3-isopropylmalate dehydrogenase from burkholderia pseudomallei
52% identity, 98% coverage: 6:365/369 of query aligns to 6:358/358 of 4iwhA

query
sites
4iwhA

I

I

L

A

I

V

L

L

A

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

V

I

M

V

A

N

E

E

V

A

K

V

K

K

I

V

I

L

S

N

W

A

Y

L

G

D

D

E

K

K

R

-

G

-

L

-

S

-

F

F

D

E

V

L

S

E

E

H

D

A

L

P

V

V

G

G

A

A

A

G

Y

Y

D

E

V

A

H

S

G

G

V

H

P

P

L

L

A

P

D

D

A

A

T

T

M

L

A

A

K

L

A

A

Q

K

E

E

V

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

Y

Y

D

D

V

S

L

L

D

E

F

R

S

A

V

L

K

R

P

P

E

E

R

Q

G

A

L

I

L

L

R

G

L

L

R

R

K

K

E

H

M

L

D

E

L

L

Y

F

A

A

N

N

L

F

R

R

P

P

A

A

Q

I

C

C

F

Y

D

P

A

Q

L

L

A

V

D

D

F

A

S

S

S

P

L

L

K

K

K

P

D

E

V

L

V

V

A

A

G

G

L

L

D

D

I

I

M

L

I

I

V

V

R

R

E

E

L

L

T

N

S

G

G

D

V

I

Y
|
Y

F

F

G

G

T

Q

P

P

R

R

G

G

I

V

T

R

T

A

Q

A

P

P

D

D

-

G

-

P

-

F

-

A

G

G

S

E

R

R

V

E

G

G

I

F

N

D

T

T

Q

M

V

R

Y

Y

T

S

T

E

E

P

E

E

I

V

R

R

V

I

A

A

R

H

S

V

A

A

F

F

E

Q

L

A

A

A

R

Q

R

K

R

R

N

A

N

K

K

K

V

L

C

L

S

S

M

V

E

D

K
|
K

A

S

N

N

V

V

M

L

E

E

S

T

G

S

I

Q

L

F

W

W

R

R

E

D

E

V

V

M

Q

I

W

D

V

V

H

-

D

S

N

K

E

E

Y

Y

P

A

D

D

V

V

E

E

L

L

S

S

H

H

M

M

Y

Y

A

V

D
|
D

N

N

G

A

A

A

M

M

Q

Q

L

L

V

A

R

K

R

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

V

I

L

L

S

S

D
|
D

C

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

-

M

-

A

-

N

D

G

K

R

N

P

N

K

K

A

G

M

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

Q

K

G

G

K

I

A

A

N

N

P

P

I

L

A

A

C

T

I

I

L

L

S

S

F

A

A

A

M

M

A

L

L

L

R

R

Y

Y

S

S

F

L

D

N

Q

R

G

A

A

E

E

Q

A

A

S

D

R

R

L

I

E

E

K

R

A

A

I

V

E

K

K

T

V

V

L

L

A

E

D

Q

G

G

V

Y

R

R

T

T

A

G

D

D

L

I

M

A

G

T

P

P

E

-

G

G

G

C

K

R

P

Q

V

V

S

G

T

T

T

A

E

A

M

M

G

G

D

D

K

A

I

V

D

A

A

A

L

L

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

4xxvA Crystal structure of 3-isopropylmalate dehydrogenase from burkholderia thailandensis in complex with NAD
52% identity, 98% coverage: 6:365/369 of query aligns to 4:356/356 of 4xxvA

query
sites
4xxvA

I

I

L

A

I

V

L

L

A

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

V

I

M

V

A

N

E

E

V

A

K

V

K

K

I

V

I

L

S

N

W

A

Y

L

G

D

D

E

K

K

R

-

G

-

L

-

S

-

F

F

D

E

V

L

S

E

E

H

D

A

L

P

V

V

G

G

A

A

A

G

Y

Y

D

E

V

A

H

S

G

G

V

H

P

P

L

L

A

P

D

D

A

A

T

T

M

L

A

A

K

L

A

A

Q

K

E

E

V

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

Y

Y

D

D

V

S

L

L

D

E

F

R

S

A

V

L

K

R

P

P

E

E

R

Q

G

A

L

I

L

L

R

G

L

L

R

R

K

K

E

H

M

L

D

E

L

L

Y

F

A

A

N

N

L

F

R

R

P

P

A

A

Q

I

C

C

F

Y

D

P

A

Q

L

L

A

V

D

D

F

A

S

S

S

P

L

L

K

K

K

P

D

E

V

L

V

V

A

A

G

G

L

L

D

D

I

I

M

L

I

I

V

V

R

R

E

E

L

L

T

N

S

G

G

D

V

I

Y
|
Y

F

F

G

G

T

Q

P

P

R

R

G

G

I

V

T

R

T

A

Q

A

P

P

D

D

-

G

-

P

-

F

-

A

G

G

S

E

R

R

V

E

G

G

I

F

N

D

T

T

Q

M

V

R

Y

Y

T

S

T

E

E

P

E

E

I

V

R

R

V

I

A

A

R

H

S

V

A

A

F

F

E

Q

L

A

A

A

R

Q

R

K

R

R

N

A

N

K

K

K

V

L

C

L

S

S

M

V

E

D

K
|
K

A

S

N
|
N

V

V

M

L

E

E

S

T

G

S

I

Q

L

F

W

W

R

R

E

D

E

V

V

M

Q

I

W

D

V

V

H

-

D

S

N

K

E

E

Y

Y

P

A

D

D

V

V

E

E

L

L

S

S

H

H

M

M

Y
|
Y

A

V

D
|
D

N
|
N

G

A

A

A

M

M

Q

Q

L

L

V

A

R

K

R

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

V

I

L

L

S

S

D
|
D

C

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

-

M

-

A

-

N

D

G

K

R

N

P

N

K

K

A

G

M

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

Q

K

G

G

K

I

A

A

N

N

P

P

I

L

A

A

C

T

I

I

L

L

S

S

F

A

A

A

M

M

A

L

L

L

R

R

Y

Y

S

S

F

L

D

N

Q

R

G

A

A

E

E

Q

A

A

S

D

R

R

L

I

E

E

K

R

A

A

I

V

E

K

K

T

V

V

L

L

A

E

D

Q

G

G

V

Y

R

R

T

T

A

G

D

D

L

I

M

A

G

T

P

P

E

-

G

G

G

C

K

R

P

Q

V

V

S

G

T

T

T

A

E

A

M

M

G

G

D

D

K

A

I

V

D

A

A

A

L

L

active site: Y136 (= Y142), K191 (= K193), D223 (= D226), D247 (= D250), D251 (= D254)
binding nicotinamide-adenine-dinucleotide: N193 (= N195), Y221 (= Y224), N224 (= N227)

6xxyA Crystal structure of haemophilus influenzae 3-isopropylmalate dehydrogenase in complex with o-isobutenyl oxalylhydroxamate. (see paper)
51% identity, 99% coverage: 1:365/369 of query aligns to 1:358/358 of 6xxyA

query
sites
6xxyA

M

M

A

E

N

S

P

Y

S

N

I

I

L

A

I

V

L

L

A

A

G

G

D

D

G

G

I

I

G

G

P

P

E

E

V

V

M

M

A

A

E

E

V

A

K

I

K

K

I

V

I

L

S

N

W

R

Y

V

G

Q

D

E

K

K

R

F

G

G

L

F

S

K

F

L

D

N

V

F

S

N

E

E

D

F

L

F

V

V

G

G

A

A

Y

I

D

E

V

H

H

C

G

G

V

Y

P

P

L

L

A

P

D

A

A

E

T

T

M

L

A

K

K

G

A

C

Q

D

E

Q

V

A

D

D

A

A

V

I

L

L

L

F

G

G

A
x
S

V
|
V

G
|
G

G

G

P

P

K

K

Y

W

D

T

V

N

L

L

D

P

F

P

S

D

V

Q

K

Q

P

P

E
|
E

R

R

G

G

-

A

L
|
L

L

L

R

P

L

L

R

R

K

K

E

H

M

F

D

K

L

L

Y

F

A

C

N

N

L

L

R
|
R

P

P

A

A

Q

T

C

L

F

Y

D

K

A

G

L

L

A

E

D

K

F

F

S

C

S

P

L

L

K

R

K

A

D

D

V

I

V

A

A

A

-

K

G

G

L

F

D

D

I

M

M

V

I

V

V

V

R
|
R

E

E

L

L

T

T

S

G

G

G

V

I

Y
|
Y

F

F

G

G

T

Q

P

P

R

K

G

G

I

-

T

-

T

R

Q

E

P

G

D

D

G

G

S

V

R

Q

V

T

-

K

G

A

I

F

N

D

T

T

Q

E

V

V

Y

Y

T

Y

T

K

E

Y

E

E

I

I

R

E

R

R

V

I

A

A

R

R

S

A

A

A

F

F

E

E

L

A

A

A

R

M

R

K

R

R

N

N

N

K

K

K

V

V

C

T

S

S

M

V

E

D

K
|
K

A

A

N

N

V
|
V

M

L

E

Q

S

S

G

S

I

I

L

L

W

W

R

R

E

E

E

T

V

V

Q

T

W

E

V

M

H

A

D

-

N

K

E

D

Y

Y

P

P

D

E

V

V

E

T

L

L

S

E

H

H

M

I

Y
|
Y

A

I

D
|
D

N
|
N

G

A

A

T

M
|
M

Q

Q

L

L

V

I

R

K

R

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

V

I

L

I

S

S

D
|
D

C

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

-

A

-

P

-

M

-

A

-

N

N

G

E

R

E

P

G

K

F

A

G

M

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

Q

K

G

G

K

I

A

A

N
|
N

P

P

I

I

A

A

C

Q

I

I

L

L

S

S

F

A

A

A

M

M

A

M

L

L

R

R

Y

Y

S

S

F

F

D

N

Q

L

G

N

A

E

E

A

A

A

S

D

R

A

L

I

E

E

K

S

A

A

I

V

E

Q

K

K

V

V

L

L

A

A

D

S

G

G

V

H

R

R

T

T

A

A

D
|
D

L

L

M

A

G

-

P

-

E

D

G

D

G

S

K

T

P

P

V

V

S

S

T

T

T

A

E

E

M

M

G

G

D

T

K

L

I

I

I

T

D

Q

A

A

L

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 (= Y224), N227 (= N227), M230 (= M230), M263 (≠ L263), G264 (= G264), E280 (= E285), G283 (≠ H288), G284 (= G289), S285 (= S290), A286 (= A291), P287 (= P292), D288 (= D293), I289 (= I294), N296 (= N301), D337 (= D342)
binding 2-(2-methylprop-2-enoxyamino)-2-oxidanylidene-ethanoic acid: E90 (= E90), R108 (= R107), R137 (= R135), K194 (= K193), V197 (= V196), D226 (= D226), D250 (= D250)

1cnzA 3-isopropylmalate dehydrogenase (ipmdh) from salmonella typhimurium (see paper)
51% identity, 97% coverage: 3:361/369 of query aligns to 4:355/363 of 1cnzA

query
sites
1cnzA

N

N

P

Y

S

H

I

I

L

A

I

V

L

L

A

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

V

V

M

M

A

A

E

Q

V

A

K

L

K

K

I

V

I

M

S

D

W

A

Y

V

G

R

D

S

K

R

R

F

G

D

L

M

S

R

F

I

D

T

V

T

S

S

E

H

D

Y

L

D

V

V

G

G

A

I

A

A

Y

I

D

D

V

N

H

H

G

G

V

H

P

P

L

L

A

P

D

K

A

A

T

T

M

V

A

E

K

G

A

C

Q

E

E

Q

V

A

D

D

A

A

V

I

L

L

L

F

G

G

A

S

V

V

G

G

P

P

K

K

Y

W

D

E

V

N

L

L

D

P

F

P

S

E

V

S

K

Q

P

P

E

E

R

R

G

G

-

A

L

L

R

P

L

L

R

R

K

K

E

H

M

F

D

K

L

L

Y

F

A

S

N

N

L

L

R

R

P

P

A

A

Q

K

C

L

F

Y

D

Q

A

G

L

L

A

E

D

A

F

F

S

C

S

P

L

L

K

R

K

A

D

D

V

I

V

A

A

A

-

N

G

G

L

F

D

D

I

I

M

L

I

C

V

V

R

R

E

E

L

L

T

T

S

G

G

G

V

I

Y
|
Y

F

F

G

G

T

Q

P

P

R

K

G

G

I

R

T

E

T

G

Q

S

P

G

D

Q

G

Y

S

E

R

K

V

-

G

A

I

F

N

D

T

T

Q

E

V

V

Y

Y

T

H

T

R

E

F

E

E

I

I

R

E

R

R

V

I

A

A

R

R

S

I

A

A

F

F

E

E

L

S

A

A

R

R

R

K

R

R

N

R

K

K

V

V

C

T

S

S

M

I

E

D

K
|
K

A

A

N

N

V

V

M

L

E

Q

S

S

G

S

I

I

L

L

W

W

R

R

E

E

E

I

V

V

Q

N

W

D

V

V

H

A

D

K

N

T

E

-

Y

Y

P

P

D

D

V

V

E

E

L

L

S

A

H

H

M

M

Y

Y

A

I

D
|
D

N

N

G

A

A

T

M

M

Q

Q

L

L

V

I

R

K

R

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

V

I

L

L

S

S

D
|
D

C

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

-

A

-

P

-

M

-

A

-

N

N

G

E

R

Q

P

G

K

F

A

G

M

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

Q

K

G

N

K

I

A

A

N

N

P

P

I

I

A

A

C

Q

I

I

L

L

S

S

F

L

A

A

M

L

A

L

L

L

R

R

Y

Y

S

S

F

L

D

D

Q

A

G

N

A

D

E

A

A

A

S

T

R

A

L

I

E

E

K

Q

A

A

I

I

E

N

K

R

V

A

L

L

A

E

D

E

G

G

V

V

R

R

T

T

A

G

D

D

L

L

M

A

G

-

P

-

E

R

G

G

G

A

K

A

P

A

V

V

S

S

T

T

T

D

E

E

M

M

G

G

D

D

K

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)
51% identity, 97% coverage: 3:361/369 of query aligns to 4:355/363 of P37412

query
sites
P37412

N

N

P

Y

S

H

I

I

L

A

I

V

L

L

A

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

V

V

M

M

A

A

E

Q

V

A

K

L

K

K

I

V

I

M

S

D

W

A

Y

V

G

R

D

S

K

R

R

F

G

D

L

M

S

R

F

I

D

T

V

T

S

S

E

H

D

Y

L

D

V

V

G

G

A

I

A

A

Y

I

D

D

V

N

H

H

G

G

V

H

P

P

L

L

A

P

D

K

A

A

T

T

M

V

A

E

K

G

A

C

Q

E

E

Q

V

A

D

D

A

A

V

I

L

L

L

F

G

G

A

S

V

V

G

G

P

P

K

K

Y

W

D

E

V

N

L

L

D

P

F

P

S

E

V

S

K

Q

P

P

E

E

R

R

G

G

-

A

L

L

R

P

L

L

R

R

K

K

E

H

M

F

D

K

L

L

Y

F

A

S

N

N

L

L

R

R

P

P

A

A

Q

K

C

L

F

Y

D

Q

A

G

L

L

A

E

D

A

F

F

S

C

S

P

L

L

K

R

K

A

D

D

V

I

V

A

A

A

-

N

G

G

L

F

D

D

I

I

M

L

I

C

V

V

R

R

E

E

L

L

T

T

S

G

G

G

V

I

Y

Y

F

F

G

G

T

Q

P

P

R

K

G

G

I

R

T

E

T

G

Q

S

P

G

D

Q

G

Y

S

E

R

K

V

-

G

A

I

F

N

D

T

T

Q

E

V

V

Y

Y

T

H

T

R

E

F

E

E

I

I

R

E

R

R

V

I

A

A

R

R

S

I

A

A

F

F

E

E

L

S

A

A

R

R

R

K

R

R

N

R

K

K

V

V

C

T

S

S

M

I

E

D

K

K

A

A

N

N

V

V

M

L

E

Q

S

S

G

S

I

I

L

L

W

W

R

R

E

E

E

I

V

V

Q

N

W

D

V

V

H

A

D

K

N

T

E

-

Y

Y

P

P

D

D

V

V

E

E

L

L

S

A

H

H

M

M

Y

Y

A

I

D
|
D

N

N

G

A

A

T

M

M

Q

Q

L

L

V

I

R

K

R

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

V

I

L

L

S

S

D
|
D

C

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

-

A

-

P

-

M

-

A

-

N

N

G

E

R

Q

P

G

K

F

A

G

M

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

Q

K

G

N

K

I

A

A

N

N

P

P

I

I

A

A

C

Q

I

I

L

L

S

S

F

L

A

A

M

L

A

L

L

L

R

R

Y

Y

S

S

F

L

D

D

Q

A

G

N

A

D

E

A

A

A

S

T

R

A

L

I

E

E

K

Q

A

A

I

I

E

N

K

R

V

A

L

L

A

E

D

E

G

G

V

V

R

R

T

T

A

G

D

D

L

L

M

A

G

-

P

-

E

R

G

G

G

A

K

A

P

A

V

V

S

S

T

T

T

D

E

E

M

M

G

G

D

D

K

I

I

I

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

3vkzA 3-isopropylmalate dehydrogenase from shewanella oneidensis mr-1 at atmospheric pressure (see paper)
49% identity, 99% coverage: 6:369/369 of query aligns to 5:364/364 of 3vkzA

query
sites
3vkzA

I

I

L

A

I

V

L

L

A

A

G

G

D

D

G

G

I

I

G

G

P

P

E

E

V

V

M

M

A

A

E

E

V

A

K

R

K

K

I

V

I

L

S

K

W

A

Y

V

G

E

D

A

K

R

R

F

G

G

L

L

S

N

F

I

D

E

V

Y

S

T

E

E

D

Y

L

D

V

V

G

G

A

I

A

A

Y

I

D

D

V

N

H

H

G

G

V

C

P

P

L

L

A

P

D

E

A

A

T

T

M

L

A

K

K

G

A

C

Q

E

E

A

V

A

D

D

A

A

V

I

L

L

L

F

G

G

A

S

V

V

G

G

P

P

K

K

Y

W

D

E

V

K

L

L

D

P

F

P

S

N

V

E

K

Q

P

P

E

E

R

R

G

G

-

A

L

L

R

P

L

L

R
|
R

K

G

E

H

M

F

D

E

L

L

Y

F

A

C

N

N

L

L

R

R

P

P

A

A

Q

K

C

L

F

H

D

D

A

G

L

L

A

E

D

H

F

M

S

S

S

P

L

L

K

R

K

S

D

D

V

I

V

S

A

A

-

R

G

G

L

F

D

D

I

V

M

L

I

C