SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 8501058 FitnessBrowser__Miya:8501058 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)
62% identity, 99% coverage: 5:358/358 of query aligns to 45:397/405 of P93832

query
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P93832

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114:129 (vs. 74:89, 50% identical) binding
L132 (= L92) mutation to A: Reduced activity toward 3-isopropylmalate.
L133 (= L93) 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 (= R96) binding ; mutation to A: Loss of activity toward 3-isopropylmalate.; mutation to K: Reduced activity toward 3-isopropylmalate.
R146 (= R106) binding ; mutation to A: Reduced activity toward 3-isopropylmalate.; mutation to K: Reduced activity toward 3-isopropylmalate.
R174 (= R135) binding ; 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 ; mutation N->A,D: Loss of activity toward 3-isopropylmalate.
V235 (= V196) mutation to A: Reduced activity toward 3-isopropylmalate.
D264 (= D225) binding ; binding ; mutation to N: Loss of activity toward 3-isopropylmalate.
N265 (= N226) binding
D288 (= D249) binding ; mutation to N: Loss of activity toward 3-isopropylmalate.
D292 (= D253) binding ; mutation to N: Reduced activity toward 3-isopropylmalate.
318:334 (vs. 279:295, 94% identical) binding

5j33A Isopropylmalate dehydrogenase in complex with NAD+ (see paper)
62% identity, 99% coverage: 5:358/358 of query aligns to 5:357/360 of 5j33A

query
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active site: Y141 (= Y142), K192 (= K193), D224 (= D225), D248 (= D249), D252 (= D253)
binding magnesium ion: D248 (= D249), D252 (= D253)
binding nicotinamide-adenine-dinucleotide: I13 (= I13), A73 (= A73), I74 (≠ V74), G75 (= G75), E89 (= E89), L92 (= L92), N194 (= N195), Y222 (= Y223), D224 (= D225), N225 (= N226), I261 (= I262), G262 (= G263), E278 (= E279), H281 (= H282), G282 (= G283), S283 (= S284), A284 (= A285), P285 (= P286), D286 (= D287), I287 (= I288), A293 (= A294), N294 (= N295), D335 (= D336)

5j32A Isopropylmalate dehydrogenase in complex with isopropylmalate (see paper)
62% identity, 99% coverage: 5:358/358 of query aligns to 15:367/369 of 5j32A

query
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active site: L18 (≠ M8), Y151 (= Y142), K202 (= K193), D234 (= D225), D258 (= D249), D262 (= D253)
binding 3-isopropylmalic acid: R106 (= R96), R144 (= R135), Y151 (= Y142), K202 (= K193), D234 (= D225), D258 (= D249)
binding magnesium ion: D258 (= D249), D262 (= D253)

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)
61% identity, 99% coverage: 4:358/358 of query aligns to 45:398/404 of Q9SA14

query
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Q9SA14

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E

K

M

G

G

L

L

L
|
L

G

N

I

I

R

R

K

R

A

D

L

L

G

N

L

V

F

F

A

A

N

N

L

L

R

R

P

P

A

A

T

T

L

V

L

L

P

P

E

Q

L

L

A

V

G

D

A

A

C

S

L

T

L

L

R

K

A

K

D

E

I

V

A

A

A

-

Q

Q

G

G

L

V

D

D

V

M

M

M

V

I

V

V

R

R

E

E

L

L

T

T

G

G

V

I

Y

Y

F

F

G

G

E

E

P

P

V

R

C

G

E

I

E

T

E

I

L

N

R

E

D

N

G

G

L

E

R

E

T

V

S

G

Y

F

N

N

T

T

M

E

I

I

Y

Y

N

A

E

A

E

H

E

E

V

I

R

D

R

R

I

I

A

A

R

R

V

V

A

A

F

F

E

E

A

T

A

A

R

R

K

K

R

R

S

R

R

G

K

K

V

L

C

C

S

S

V

V

D

D

K

K

A

A

N

N

V

V

L

L

A

D

V

A

S

S

R

I

L

L

W

W

R

R

A

K

V

R

V

V

I

T

E

A

V

L

A

A

R

S

E

E

Y

Y

P

P

D

D

V

V

E

E

L

L

T

S

H

H

M

M

Y

Y

V

V

D

D

N

N

A

A

M

M

Q

Q

L

L

V

V

R

R

W

D

P

P

A

K

Q

Q

F

F

D

D

V

T

I

I

V

V

T

T

E

N

N

N

L

I

F

F

G

G

D

D

I

I

L

L

S

S

D

D

E

E

A

A

A

S

V

M

I

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

G

G

A

E

S

S

G

G

P

P

G

G

I

L

F

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

N

D

K

K

A

A

N

N

P

P

V

L

A

A

T

T

I

I

L

L

S

S

V

A

A

A

M

M

M

L

L

L

R

K

Y

Y

T

G

F

L

G

G

L

E

E

E

K

K

E

A

A

A

V

K

A

M

I

I

E

E

Q

D

A

A

V

V

S

V

G

D

V

A

L

L

R

N

E

K

G

G

Y

F

R

R

T

T

G

G

D

D

I

I

M

Y

E

S

E

P

G

G

K

N

T

K

L

L

V

V

G

G

T

C

V

K

S

E

M

M

G

G

N

E

L

E

V

V

T

L

E

K

R

S

V

V

L134 (= L93) Confers substrate specificity; mutation to F: Enhanced activity toward 3-(2'-methylthio)-ethylmalate, but reduced catalytic efficiency with 3-isopropylmalate.

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: 4:358/358 of query aligns to 48:401/409 of Q9FMT1

query
sites
Q9FMT1

K

N

I

I

C

A

L

L

M

L

P

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

I

V

V

I

E

S

Q

V

A

A

V

K

K

N

V

V

L

L

D

Q

K

K

V

A

A

G

K

S

K

L

F

E

G

G

H

L

T

E

V

F

S

D

Y

F

T

K

N

E

A

M

L

P

I

V

G

G

A

A

I

L

D

D

A

L

T

V

G

G

G

V

P

P

L

L

P

P

D

E

E

E

T

T

V

F

A

T

A

A

C

A

K

K

A

L

A

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

T

K

A

H

I

L

R

R

P

P

E

E

K

M

G

A

L

L

L
x
F

G

Y

I

L

R

R

K

R

A

D

L

L

G

K

L

V

F

F

A

A

N

N

L

L

R

R

P

P

A

A

T

T

L

V

L

L

P

P

E

Q

L

L

A

V

G

D

A

A

C

S

L

T

L

L

R

K

A

K

D

E

I

V

A

A

A

-

Q

E

G

G

L

V

D

D

V

M

M

M

V

I

V

V

R

R

E

E

L

L

T

T

G

G

V

I

Y

Y

F

F

G

G

E

E

P

P

V

R

C

G

E

I

E

T

E

I

L

N

R

E

D

N

G

G

L

E

R

E

T

V

S

G

Y

V

N

S

T

T

M

E

I

I

Y

Y

N

A

E

A

E

H

E

E

V

I

R

D

R

R

I

I

A

A

R

R

V

V

A

A

F

F

E

E

A

T

A

A

R

R

K

K

R

R

S

R

R

G

K

K

V

L

C
|
C

S

S

V

V

D

D

K

K

A

A

N

N

V

V

L

L

A

D

V

A

S

S

R

I

L

L

W

W

R

R

A

K

V

R

V

V

I

T

E

A

V

L

A

A

R

S

E

E

Y

Y

P

P

D

D

V

V

E

E

L

L

T

S

H

H

M

M

Y

Y

V

V

D

D

N

N

A

A

M

M

Q

Q

L

L

V

I

R

R

W

D

P

P

A

K

Q

Q

F

F

D

D

V

T

I

I

V

V

T

T

E

N

N

N

L

I

F

F

G

G

D

D

I

I

L

L

S

S

D

D

E

E

A

A

A

S

V

M

I

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

G

G

A

E

S

S

G

G

P

P

G

G

I

L

F

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

N

D

K

K

A

A

N

N

P

P

V

L

A

A

T

T

I

I

L

L

S

S

V

A

A

A

M

M

M

L

L

L

R

K

Y

Y

T

G

F

L

G

G

L

E

E

E

K

K

E

A

A

A

V

K

A

R

I

I

E

E

Q

D

A

A

V

V

S

V

G

D

V

A

L

L

R

N

E

K

G

G

Y

F

R

R

T

T

G

G

D

D

I

I

M

Y

E

S

E

P

G

G

K

N

T

K

L

L

V

V

G

G

T
x
C

V

K

S

E

M

M

G

G

N

E

L

E

V

V

T

L

E

K

R

S

V

V

F137 (≠ L93) 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 (≠ T347) Essential for redox regulation; mutation to S: Reduced sensitivity to oxidation on enzyme activity regulation.

Q56268 3-isopropylmalate dehydrogenase; 3-IPM-DH; Beta-IPM dehydrogenase; IMDH; EC 1.1.1.85 from Acidithiobacillus ferrooxidans (Thiobacillus ferrooxidans) (see paper)
60% identity, 98% coverage: 4:354/358 of query aligns to 3:350/358 of Q56268

query
sites
Q56268

K

K

I

I

C

A

L

I

M

F

P

A

G

G

D

D

G

G

I

I

G

G

P

P

E

E

I

I

V

V

E

A

Q

A

A

A

V

R

K

Q

V

V

L

L

D

D

K

A

V

V

A

D

K

Q

K

A

F

A

G

H

H

L

T

G

V

L

S

R

Y

C

T

T

N

E

A

G

L

L

I

V

G

G

A

A

I

L

D

D

A

A

T

S

G

D

P

P

L

L

P

P

D

A

E

A

T

S

V

L

A

Q

A

L

C

A

K

M

A

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

T

P

A

A

I

K

R

R

P

P

E

E

K

Q

G

G

L

L

G

R

I

L

R
|
R

K

K

A

G

L

L

G

D

L

L

F

Y

A

A

N

N

L

L

R
|
R

P

P

A

A

T

Q

L

I

L

F

P

P

E

Q

L

L

A

L

G

D

A

A

C

S

L

P

L

L

R

R

A

P

D

E

I

L

A

V

A

-

Q

R

G

D

L

V

D

D

V

I

M

L

V

V

R
|
R

E

E

L

L

T

T

G

G

G

D

V

I

Y

Y

F

F

G

G

E

Q

P

P

V

R

C

G

E

L

E

E

E

V

L

I

R

-

D

D

G

G

L

K

R

R

T

R

S

G

Y

F

N

N

T

T

M

M

I

V

Y

Y

N

D

E

E

E

D

E

E

V

I

R

R

I

I

A

A

R

H

V

V

A

A

F

F

E

R

A

A

R

Q

K

G

R

R

S

R

R

K

K

Q

V

L

C

C

S

S

V

V

D

D

K

K

A

A

N

N

V

V

L

L

A

E

V

T

S

T

R

R

L

L

W

W

R

R

A

E

V

V

I

T

E

E

V

V

A

A

R

R

E

D

Y

Y

P

P

D

D

V

V

E

R

L

L

T

S

H

H

M

M

Y

Y

V

V

D
|
D

N

N

A

A

M

M

Q

Q

L

L

V

I

R

R

W

A

P

P

A

A

Q

Q

F

F

D

D

V

V

I

L

V

L

T

T

E

G

N

N

L

M

F

F

G

G

D
|
D

I

I

L

L

S

S

D

D

E

E

A

A

A

S

V

Q

I

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

G

G

A

-

S

E

G

G

P

R

G

A

I

M

F

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

N

D

K

K

A

A

N

N

P

P

V

L

A

A

T

T

I

I

L

L

S

S

V

V

A

A

M

M

L

L

R

R

Y

H

T

S

F

L

G

N

L

A

E

E

K

P

E

W

A

A

V

Q

A

R

I

V

E

E

Q

A

A

A

V

V

S

Q

G

R

V

V

L

L

R

D

E

Q

G

G

Y

L

R

R

T

T

G

A

D

D

I

I

M

A

E

A

E

P

G

G

K

T

T

P

L

V

V

I

G

G

T

T

V

K

S

A

M

M

G

G

N

A

L

A

V

V

R95 (= R96) binding
R105 (= R106) binding
R133 (= R135) binding
D222 (= D225) binding ; binding
D246 (= D249) binding

1a05A Crystal structure of the complex of 3-isopropylmalate dehydrogenase from thiobacillus ferrooxidans with 3- isopropylmalate (see paper)
60% identity, 98% coverage: 4:354/358 of query aligns to 3:350/357 of 1a05A

query
sites
1a05A

K

K

I

I

C

A

L

I

M

F

P

A

G

G

D

D

G

G

I

I

G

G

P

P

E

E

I

I

V

V

E

A

Q

A

A

A

V

R

K

Q

V

V

L

L

D

D

K

A

V

V

A

D

K

Q

K

A

F

A

G

H

H

L

T

G

V

L

S

R

Y

C

T

T

N

E

A

G

L

L

I

V

G

G

A

A

I

L

D

D

A

A

T

S

G

D

P

P

L

L

P

P

D

A

E

A

T

S

V

L

A

Q

A

L

C

A

K

M

A

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

T

P

A

A

I

K

R

R

P

P

E
|
E

K

Q

G

G

L

L

G

R

I

L

R
|
R

K

K

A

G

L

L

G

D

L

L

F

Y

A

A

N

N

L

L

R
|
R

P

P

A

A

T

Q

L

I

L

F

P

P

E

Q

L

L

A

L

G

D

A

A

C

S

L

P

L

L

R

R

A

P

D

E

I

L

A

V

A

-

Q

R

G

D

L

V

D

D

V

I

M

L

V

V

R
|
R

E

E

L

L

T

T

G

G

G

D

V

I

Y
|
Y

F

F

G

G

E

Q

P

P

V

R

C

G

E

L

E

E

E

V

L

I

R

-

D

D

G

G

L

K

R

R

T

R

S

G

Y

F

N

N

T

T

M

M

I

V

Y

Y

N

D

E

E

E

D

E

E

V

I

R

R

I

I

A

A

R

H

V

V

A

A

F

F

E

R

A

A

R

Q

K

G

R

R

S

R

R

K

K

Q

V

L

C

C

S

S

V

V

D

D

K
|
K

A

A

N

N

V

V

L

L

A

E

V

T

S

T

R

R

L

L

W

W

R

R

A

E

V

V

I

T

E

E

V

V

A

A

R

R

E

D

Y

Y

P

P

D

D

V

V

E

R

L

L

T

S

H

H

M

M

Y

Y

V

V

D
|
D

N

N

A

A

M

M

Q

Q

L

L

V

I

R

R

W

A

P

P

A

A

Q

Q

F

F

D

D

V

V

I

L

V

L

T

T

E

G

N

N

L

M

F

F

G

G

D
|
D

I

I

L

L

S

S

D
|
D

E

E

A

A

A

S

V

Q

I

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

G

G

A

-

S

E

G

G

P

R

G

A

I

M

F

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

N

D

K

K

A

A

N

N

P

P

V

L

A

A

T

T

I

I

L

L

S

S

V

V

A

A

M

M

L

L

R

R

Y

H

T

S

F

L

G

N

L

A

E

E

K

P

E

W

A

A

V

Q

A

R

I

V

E

E

Q

A

A

A

V

V

S

Q

G

R

V

V

L

L

R

D

E

Q

G

G

Y

L

R

R

T

T

G

A

D

D

I

I

M

A

E

A

E

P

G

G

K

T

T

P

L

V

V

I

G

G

T

T

V

K

S

A

M

M

G

G

N

A

L

A

V

V

active site: Y140 (= Y142), K190 (= K193), D222 (= D225), D246 (= D249), D250 (= D253)
binding 3-isopropylmalic acid: E88 (= E89), R95 (= R96), R105 (= R106), R133 (= R135), Y140 (= Y142), D246 (= D249)

4iwhA Crystal structure of a 3-isopropylmalate dehydrogenase from burkholderia pseudomallei
57% identity, 98% coverage: 3:354/358 of query aligns to 4:354/358 of 4iwhA

query
sites
4iwhA

M

M

K

K

I

I

C

A

L

V

M

L

P

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

I

I

V

V

E

N

Q

E

A

A

V

V

K

K

V

V

L

L

D

N

K

A

V

L

A

D

K

E

K

K

F

F

G

-

H

-

T

-

V

-

S

E

Y

L

T

E

N

H

A

A

L

P

I

V

G

G

A

A

A

G

I

Y

D

E

A

A

T

S

G

G

G

H

P

P

L

L

P

P

D

D

E

A

T

T

V

L

A

A

A

L

C

A

K

K

A

E

A

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

T

R

A

A

I

L

R

R

P

P

E

E

K

Q

G

A

L

I

L

L

G

G

I

L

R

R

K

K

A

H

L

L

G

E

L

L

F

F

A

A

N

N

L

F

R

R

P

P

A

A

T

I

L

C

L

Y

P

P

E

Q

L

L

A

V

G

D

A

A

C

S

L

P

L

L

R

K

A

P

D

E

I

L

A

V

A

A

Q

-

G

G

L

L

D

D

V

I

M

L

V

I

V

V

R

R

E

E

L

L

T

N

G

G

G

D

V

I

Y
|
Y

F

F

G

G

E

Q

P

P

V

R

C

G

E

V

E

R

E

A

L

A

R

P

D

D

G

G

L

P

-

F

-

A

-

G

-

E

R

R

T

E

S

G

Y

F

N

D

T

T

M

M

I

R

Y

Y

N

S

E

E

E

P

E

E

V

V

R

R

I

I

A

A

R

H

V

V

A

A

F

F

E

Q

A

A

R

Q

K

K

R

R

S

A

R

K

K

K

V

L

C

L

S

S

V

V

D

D

K
|
K

A

S

N

N

V

V

L

L

A

E

V

T

S

S

R

Q

L

F

W

W

R

R

A

D

V

V

V

M

I

I

E

D

V

V

A

S

R

K

E

E

Y

Y

P

A

D

D

V

V

E

E

L

L

T

S

H

H

M

M

Y

Y

V

V

D
|
D

N

N

A

A

M

M

Q

Q

L

L

V

A

R

K

W

A

P

P

A

K

Q

Q

F

F

D

D

V

V

I

I

V

V

T

T

E

G

N

N

L

M

F

F

G

G

D
|
D

I

I

L

L

S

S

D
|
D

E

E

A

A

A

S

V

M

I

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

G

D

A

K

S

N

G

N

P

K

G

G

I

L

F

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

N

G

K

I

A

A

N

N

P

P

V

L

A

A

T

T

I

I

L

L

S

S

V

A

A

A

M

M

M

L

L

L

R

R

Y

Y

T

S

F

L

G

N

L

R

E

A

K

E

E

Q

A

A

V

D

A

R

I

I

E

E

Q

R

A

A

V

V

S

K

G

T

V

V

L

L

R

E

E

Q

G

G

Y

Y

R

R

T

T

G

G

D

D

I

I

M

A

E

T

E

P

G

G

K

C

T

R

L

Q

V

V

G

G

T

T

V

A

S

A

M

M

G

G

N

D

L

A

V

V

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

4xxvA Crystal structure of 3-isopropylmalate dehydrogenase from burkholderia thailandensis in complex with NAD
57% identity, 98% coverage: 3:354/358 of query aligns to 2:352/356 of 4xxvA

query
sites
4xxvA

M

M

K

K

I

I

C

A

L

V

M

L

P

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

I

I

V

V

E

N

Q

E

A

A

V

V

K

K

V

V

L

L

D

N

K

A

V

L

A

D

K

E

K

K

F

F

G

-

H

-

T

-

V

-

S

E

Y

L

T

E

N

H

A

A

L

P

I

V

G

G

A

A

A

G

I

Y

D

E

A

A

T

S

G

G

G

H

P

P

L

L

P

P

D

D

E

A

T

T

V

L

A

A

A

L

C

A

K

K

A

E

A

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

T

R

A

A

I

L

R

R

P

P

E

E

K

Q

G

A

L

I

L

L

G

G

I

L

R

R

K

K

A

H

L

L

G

E

L

L

F

F

A

A

N

N

L

F

R

R

P

P

A

A

T

I

L

C

L

Y

P

P

E

Q

L

L

A

V

G

D

A

A

C

S

L

P

L

L

R

K

A

P

D

E

I

L

A

V

A

A

Q

-

G

G

L

L

D

D

V

I

M

L

V

I

V

V

R

R

E

E

L

L

T

N

G

G

G

D

V

I

Y
|
Y

F

F

G

G

E

Q

P

P

V

R

C

G

E

V

E

R

E

A

L

A

R

P

D

D

G

G

L

P

-

F

-

A

-

G

-

E

R

R

T

E

S

G

Y

F

N

D

T

T

M

M

I

R

Y

Y

N

S

E

E

E

P

E

E

V

V

R

R

I

I

A

A

R

H

V

V

A

A

F

F

E

Q

A

A

R

Q

K

K

R

R

S

A

R

K

K

K

V

L

C

L

S

S

V

V

D

D

K
|
K

A

S

N
|
N

V

V

L

L

A

E

V

T

S

S

R

Q

L

F

W

W

R

R

A

D

V

V

V

M

I

I

E

D

V

V

A

S

R

K

E

E

Y

Y

P

A

D

D

V

V

E

E

L

L

T

S

H

H

M

M

Y
|
Y

V

V

D
|
D

N
|
N

A

A

M
|
M

Q
|
Q

L

L

V

A

R

K

W

A

P

P

A

K

Q

Q

F

F

D

D

V

V

I

I

V

V

T

T

E

G

N

N

L

M

F

F

G

G

D
|
D

I

I

L

L

S

S

D
|
D

E

E

A

A

A

S

V

M

I

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

G

D

A

K

S

N

G

N

P

K

G

G

I

L

F

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

N

G

K

I

A

A

N

N

P

P

V

L

A

A

T

T

I

I

L

L

S

S

V

A

A

A

M

M

M

L

L

L

R

R

Y

Y

T

S

F

L

G

N

L

R

E

A

K

E

E

Q

A

A

V

D

A

R

I

I

E

E

Q

R

A

A

V

V

S

K

G

T

V

V

L

L

R

E

E

Q

G

G

Y

Y

R

R

T

T

G

G

D

D

I

I

M

A

E

T

E

P

G

G

K

C

T

R

L

Q

V

V

G

G

T

T

V

A

S

A

M

M

G

G

N

D

L

A

V

V

active site: Y136 (= Y142), K191 (= K193), D223 (= D225), D247 (= D249), D251 (= D253)
binding nicotinamide-adenine-dinucleotide: N193 (= N195), Y221 (= Y223), N224 (= N226), M227 (= M229), Q228 (= Q230)

6xxyA Crystal structure of haemophilus influenzae 3-isopropylmalate dehydrogenase in complex with o-isobutenyl oxalylhydroxamate. (see paper)
56% identity, 99% coverage: 4:358/358 of query aligns to 5:358/358 of 6xxyA

query
sites
6xxyA

K

N

I

I

C

A

L

V

M

L

P

A

G

G

D

D

G

G

I
|
I

G

G

P

P

E

E

I

V

V

M

E

A

Q

E

A

A

V

I

K

K

V

V

L

L

D

N

K

R

V

V

A

Q

K

E

K

K

F

F

G

G

H

F

T

K

V

L

S

N

Y

F

T

N

N

E

A

F

L

F

I

V

G

G

A

A

I

I

D

E

A

H

T

C

G

G

G

Y

P

P

L

L

P

P

D

A

E

E

T

T

V

L

A

K

A

G

C

C

K

D

A

Q

A

A

D

D

A

A

V

I

L

L

L

F

G

G

A
x
S

V
|
V

G
|
G

P

P

K

K

W

W

D

T

T

N

L

L

P

P

T

P

A

D

I

Q

R

Q

P

P

E
|
E

K

R

G

G

-

A

L
|
L

G

P

I

L

R
|
R

K

K

A

H

L

F

G

K

L

L

F

F

A

C

N

N

L

L

R
|
R

P

P

A

A

T

T

L

L

L

Y

P

K

E

G

L

L

A

E

G

K

A

F

C

C

L

P

L

L

R

R

A

A

D

D

I

I

A

A

Q

K

G

G

L

F

D

D

V

M

M

V

V

V

R
|
R

E

E

L

L

T

T

G

G

V

I

Y
|
Y

F

F

G

G

E

Q

P

P

V

K

C

G

E

R

E

E

E

-

L

-

R

G

D

D

G

G

L

V

R

Q

T

T

-

K

S

A

Y

F

N

D

T

T

M

E

I

V

Y

Y

N

Y

E

K

E

Y

E

E

V

I

R

E

R

R

I

I

A

A

R

R

V

A

A

A

F

F

E

E

A

A

R

M

K

K

R

R

S

N

R

K

K

K

V

V

C

T

S

S

V

V

D

D

K
|
K

A

A

N
|
N

V
|
V

L

L

A

Q

V

S

S

S

R

I

L

L

W

W

R

R

A

E

V

T

V

V

I

T

E

E

V

M

A

A

R

K

E

D

Y

Y

P

P

D

E

V

V

E

T

L

L

T

E

H

H

M

I

Y
|
Y

V

I

D
|
D

N
|
N

A

A

A

T

M
|
M

Q

Q

L

L

V

I

R

K

W

S

P

P

A

E

Q

S

F

F

D

D

V

V

I

L

V

L

T

C

E

S

N

N

L

I

F

F

G

G

D
|
D

I

I

L

I

S

S

D
|
D

E

E

A

A

V

M

I

I

T

T

G

G

S

S

I
x
M

G
|
G

M

M

L

L

P

P

S

S

A

A

S

S

L

L

G

N

A

E

S

E

G

G

P

F

G

G

I

L

F

Y

E
|
E

P

P

I
x
A

H
x
G

G
|
G

S
|
S

A
|
A

P
|
P

D
|
D

I
|
I

A

A

G

G

Q

K

N

G

K

I

A
|
A

N
|
N

P

P

V

I

A

A

T

Q

I

I

L

L

S

S

V

A

A

A

M

M

L

L

R

R

Y

Y

T

S

F

F

G

N

L

L

E

N

K

E

E

A

A

A

V

D

A

A

I

I

E

E

Q

S

A

A

V

V

S

Q

G

K

V

V

L

L

R

A

E

S

G

G

Y

H

R

R

T

T

G

A

D
|
D

I

L

M

A

E

D

G

-

K

S

T

T

L

P

V

V

G

S

T

T

V

A

S

E

M

M

G

G

N

T

L

L

V

I

T

T

E

Q

R

A

V

I

active site: Y144 (= Y142), K194 (= K193), D226 (= D225), D250 (= D249)
binding magnesium ion: D250 (= D249), D254 (= D253)
binding nicotinamide-adenine-dinucleotide: I14 (= I13), S74 (≠ A73), V75 (= V74), G76 (= G75), G77 (= G76), E90 (= E89), L94 (= L92), N196 (= N195), Y224 (= Y223), N227 (= N226), M230 (= M229), M263 (≠ I262), G264 (= G263), E280 (= E279), G283 (≠ H282), G284 (= G283), S285 (= S284), A286 (= A285), P287 (= P286), D288 (= D287), I289 (= I288), A295 (= A294), N296 (= N295), D337 (= D336)
binding 2-(2-methylprop-2-enoxyamino)-2-oxidanylidene-ethanoic acid: E90 (= E89), L94 (= L92), L95 (= L93), R98 (= R96), R108 (= R106), R137 (= R135), K194 (= K193), V197 (= V196), D226 (= D225), D250 (= D249), A282 (≠ I281)

1cnzA 3-isopropylmalate dehydrogenase (ipmdh) from salmonella typhimurium (see paper)
55% identity, 100% coverage: 2:358/358 of query aligns to 4:359/363 of 1cnzA

query
sites
1cnzA

D

N

M

Y

K

H

I

I

C

A

L

V

M

L

P

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

I

V

V

M

E

A

Q

Q

A

A

V

L

K

K

V

V

L

M

D

D

K

A

V

V

A

R

K

S

K

R

F

F

G

D

H

M

T

R

V

I

S

T

Y

T

T

S

N

H

A

Y

L

D

I

V

G

G

A

I

A

A

I

I

D

D

A

N

T

H

G

G

G

H

P

P

L

L

P

P

D

K

E

A

T

T

V

V

A

E

A

G

C

C

K

E

A

Q

A

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

T

P

A

E

I

S

R

Q

P

P

E

E

K

R

G

G

-

A

L

L

G

P

I

L

R

R

K

K

A

H

L

F

G

K

L

L

F

F

A

S

N

N

L

L

R

R

P

P

A

A

T

K

L

L

L

Y

P

Q

E

G

L

L

A

E

G

A

A

F

C

C

L

P

L

L

R

R

A

A

D

D

I

I

A

A

Q

N

G

G

L

F

D

D

V

I

M

L

V

C

V

V

R

R

E

E

L

L

T

T

G

G

V

I

Y
|
Y

F

F

G

G

E

Q

P

P

V

K

C

G

E

R

E

E

E

G

L

-

R

S

D

G

G

Q

L

Y

R

E

T

K

S

A

Y

F

N

D

T

T

M

E

I

V

Y

Y

N

H

E

R

E

F

E

E

V

I

R

E

R

R

I

I

A

A

R

R

V

I

A

A

F

F

E

E

A

S

A

A

R

R

K

K

R

R

S

R

R

R

K

K

V

V

C

T

S

S

V

I

D

D

K
|
K

A

A

N

N

V

V

L

L

A

Q

V

S

S

S

R

I

L

L

W

W

R

R

A

E

V

I

V

V

I

N

E

D

V

V

A

A

R

K

E

T

Y

Y

P

P

D

D

V

V

E

E

L

L

T

A

H

H

M

M

Y

Y

V

I

D
|
D

N

N

A

A

A

T

M

M

Q

Q

L

L

V

I

R

K

W

D

P

P

A

S

Q

Q

F

F

D

D

V

V

I

L

V

L

T

C

E

S

N

N

L

L

F

F

G

G

D
|
D

I

I

L

L

S

S

D
|
D

E

E

A

C

A

A

V

M

I

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

G

N

A

E

S

Q

G

G

P

F

G

G

I

L

F

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

N

N

K

I

A

A

N

N

P

P

V

I

A

A

T

Q

I

I

L

L

S

S

V

L

A

A

M

L

L

L

R

R

Y

Y

T

S

F

L

G

D

L

A

E

N

K

D

E

A

A

A

V

T

A

A

I

I

E

E

Q

Q

A

A

V

I

S

N

G

R

V

A

L

L

R

E

E

E

G

G

Y

V

R

R

T

T

G

G

D

D

I

-

M

L

E

A

E

R

G

G

K

A

T

A

L

A

V

V

G

S

T

T

V

D

S

E

M

M

G

G

N

D

L

I

V

I

T

A

E

R

R

Y

V

V

active site: Y145 (= Y142), K195 (= K193), D227 (= D225), D251 (= D249)
binding manganese (ii) ion: D251 (= D249), D255 (= D253)

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)
55% identity, 100% coverage: 2:358/358 of query aligns to 4:359/363 of P37412

query
sites
P37412

D

N

M

Y

K

H

I

I

C

A

L

V

M

L

P

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

I

V

V

M

E

A

Q

Q

A

A

V

L

K

K

V

V

L

M

D

D

K

A

V

V

A

R

K

S

K

R

F

F

G

D

H

M

T

R

V

I

S

T

Y

T

T

S

N

H

A

Y

L

D

I

V

G

G

A

I

A

A

I

I

D

D

A

N

T

H

G

G

G

H

P

P

L

L

P

P

D

K

E

A

T

T

V

V

A

E

A

G

C

C

K

E

A

Q

A

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

T

P

A

E

I

S

R

Q

P

P

E

E

K

R

G

G

-

A

L

L

G

P

I

L

R

R

K

K

A

H

L

F

G

K

L

L

F

F

A

S

N

N

L

L

R

R

P

P

A

A

T

K

L

L

L

Y

P

Q

E

G

L

L

A

E

G

A

A

F

C

C

L

P

L

L

R

R

A

A

D

D

I

I

A

A

Q

N

G

G

L

F

D

D

V

I

M

L

V

C

V

V

R

R

E

E

L

L

T

T

G

G

V

I

Y

Y

F

F

G

G

E

Q

P

P

V

K

C

G

E

R

E

E

E

G

L

-

R

S

D

G

G

Q

L

Y

R

E

T

K

S

A

Y

F

N

D

T

T

M

E

I

V

Y

Y

N

H

E

R

E

F

E

E

V

I

R

E

R

R

I

I

A

A

R

R

V

I

A

A

F

F

E

E

A

S

A

A

R

R

K

K

R

R

S

R

R

R

K

K

V

V

C

T

S

S

V

I

D

D

K

K

A

A

N

N

V

V

L

L

A

Q

V

S

S

S

R

I

L

L

W

W

R

R

A

E

V

I

V

V

I

N

E

D

V

V

A

A

R

K

E

T

Y

Y

P

P

D

D

V

V

E

E

L

L

T

A

H

H

M

M

Y

Y

V

I

D
|
D

N

N

A

A

A

T

M

M

Q

Q

L

L

V

I

R

K

W

D

P

P

A

S

Q

Q

F

F

D

D

V

V

I

L

V

L

T

C

E

S

N

N

L

L

F

F

G

G

D
|
D

I

I

L

L

S

S

D
|
D

E

E

A

C

A

A

V

M

I

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

G

N

A

E

S

Q

G

G

P

F

G

G

I

L

F

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

N

N

K

I

A

A

N

N

P

P

V

I

A

A

T

Q

I

I

L

L

S

S

V

L

A

A

M

L

L

L

R

R

Y

Y

T

S

F

L

G

D

L

A

E

N

K

D

E

A

A

A

V

T

A

A

I

I

E

E

Q

Q

A

A

V

I

S

N

G

R

V

A

L

L

R

E

E

E

G

G

Y

V

R

R

T

T

G

G

D

D

I

-

M

L

E

A

E

R

G

G

K

A

T

A

L

A

V

V

G

S

T

T

V

D

S

E

M

M

G

G

N

D

L

I

V

I

T

A

E

R

R

Y

V

V

D227 (= D225) binding
D251 (= D249) binding
D255 (= D253) binding

3vkzA 3-isopropylmalate dehydrogenase from shewanella oneidensis mr-1 at atmospheric pressure (see paper)
53% identity, 99% coverage: 4:358/358 of query aligns to 4:360/364 of 3vkzA

query
sites
3vkzA

K

Q

I

I

C

A

L

V

M

L

P

A

G

G

D

D

G

G

I

I

G

G

P

P

E

E

I

V

V

M

E

A

Q

E

A

A

V

R

K

K

V

V

L

L

D

K

K

A

V

V

A

E

K

A

K

R

F

F

G

G

H

L

T

N

V

I

S

E

Y

Y

T

T

N

E

A

Y

L

D

I

V

G

G

A

I

A

A

I

I

D

D

A

N

T

H

G

G

G

C

P

P

L

L

P

P

D

E

E

A

T

T

V

L

A

K

A

G

C

C

K

E

A

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

T

P

A

N

I

E

R

Q

P

P

E

E

K

R

G

G

-

A

L

L

G

P

I

L

R
|
R

K

G

A

H

L

F

G

E

L

L

F

F

A

C

N

N

L

L

R

R

P

P

A

A

T

K

L

L

L

H

P

D

E

G

L

L

A

E

G

H

A

M

C

S

L

P

L

L

R

R

A

S

D

D

I

I

A

S

A

A

Q

R

G

G

L

F

D

D

V

V

M

L

V

C

V

V

R
|
R

E

E

L

L

T

T

G

G

V

I

Y
|
Y

F

F

G

G

E

K

P

P

V

K

C

G

E

R

E

Q

E

G

L

E

R

G

D

E

G

S

L

-

R

E

T

E