SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing CA265_RS15850 CA265_RS15850 3-isopropylmalate dehydrogenase to proteins with known functional sites using BLASTp with E ≤ 0.001.

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

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

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)
51% identity, 99% coverage: 2:360/363 of query aligns to 43:402/404 of Q9SA14

query
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Q9SA14

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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.

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)
50% identity, 100% coverage: 2:363/363 of query aligns to 42:404/405 of P93832

query
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P93832

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114:129 (vs. 74:90, 47% identical) binding
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 ; mutation to A: Loss of activity toward 3-isopropylmalate.; mutation to K: Reduced activity toward 3-isopropylmalate.
R146 (= R107) 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 (= K189) Important for catalysis; mutation to M: Loss of activity toward 3-isopropylmalate.
N234 (= N191) binding ; mutation N->A,D: Loss of activity toward 3-isopropylmalate.
V235 (= V192) mutation to A: Reduced activity toward 3-isopropylmalate.
D264 (= D221) binding ; binding ; mutation to N: Loss of activity toward 3-isopropylmalate.
N265 (= N222) binding
D288 (= D245) binding ; mutation to N: Loss of activity toward 3-isopropylmalate.
D292 (= D249) binding ; mutation to N: Reduced activity toward 3-isopropylmalate.
318:334 (vs. 274:290, 82% identical) binding

5j33A Isopropylmalate dehydrogenase in complex with NAD+ (see paper)
51% identity, 97% coverage: 2:354/363 of query aligns to 2:355/360 of 5j33A

query
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active site: Y141 (= Y142), K192 (= K189), D224 (= D221), D248 (= D245), D252 (= D249)
binding magnesium ion: D248 (= D245), D252 (= D249)
binding nicotinamide-adenine-dinucleotide: I13 (= I13), A73 (= A73), I74 (= I74), G75 (= G75), E89 (= E90), L92 (= L93), N194 (= N191), Y222 (≠ F219), D224 (= D221), N225 (= N222), I261 (≠ M258), G262 (= G259), E278 (= E274), H281 (= H277), G282 (= G278), S283 (= S279), A284 (= A280), P285 (≠ H281), D286 (= D282), I287 (= I283), A293 (= A289), N294 (= N290), D335 (= D331)

5j32A Isopropylmalate dehydrogenase in complex with isopropylmalate (see paper)
51% identity, 97% coverage: 2:354/363 of query aligns to 12:365/369 of 5j32A

query
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5j32A

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E

E

T

T

L

I

E

S

K

A

A

A

R

K

Q

E

S

S

D

D

A

A

I

V

L

L

F

L

G

G

A

A

I

I

G

G

H

G

A

Y

K

K

Y

W

D

D

N

N

D

N

P

E

S

K

L

-

K

H

V

L

R

R

P

P

E

E

Q

K

G

G

L

L

K

Q

I

I

R
|
R

K

A

E

A

L

L

G

K

L

V

F

F

A

A

N

N

L

L

R

R

P

P

I

A

L

T

L

V

F

L

D

P

E

Q

L

L

L

V

Q

D

A

A

S

S

S

T

I

L

K

K

P

R

E

E

I

V

L

A

R

E

G

G

T

V

D

D

I

L

L

M

F

V

R
|
R

E

E

L

L

T

T

G

G

D

G

V

I

Y
|
Y

F

F

G

G

E

E

-

P

-

R

-

G

-

I

K

K

T

T

R

N

S

E

E

N

D

G

R

E

N

E

T

V

A

G

S

F

D

N

L

T

M

E

I

V

Y

Y

H

A

R

A

Y

H

E

E

V

I

E

D

R

R

I

I

A

A

H

R

K

V

A

A

Y

F

Q

E

A

T

A

A

Q

R

Q

K

R

R

N

R

K

G

R

K

L

L

C

C

S

S

V

V

D

D

K
|
K

A

A

N

N

V

V

L

L

E

E

S

A

S

S

R

I

L

L

W

W

R

R

E

K

T

R

V

V

Q

T

E

A

I

L

A

A

K

S

Q

E

Y

Y

P

P

D

D

V

V

E

E

T

L

E

S

H

H

M

M

F

Y

I

V

D
|
D

N

N

A

A

M

M

Q

Q

L

L

I

V

K

R

N

D

P

P

K

K

K

Q

F

F

D

D

V

T

V

I

L

V

T

T

A

N

N

N

L

I

F

F

G

G

D
|
D

I

I

L

L

T

S

D
|
D

E

E

A

A

S

S

Q

M

I

I

A

T

G

G

S

S

M

I

G

G

M

M

L

L

A

P

S

S

A

A

S

S

V

L

G

S

E

D

S

S

-

G

T

P

G

G

F

L

F

F

E

E

P

P

I

I

H

H

G

G

S

S

A

A

H

P

D

D

I

I

A

A

G

G

K

Q

D

D

L

K

A

A

N

N

P

P

L

L

A

A

S

T

I

I

L

L

S

S

A

A

L

M

M

L

L

L

E

K

I

Y

G

G

F

L

G

G

L

E

K

E

E

K

E

A

A

A

K

K

L

R

L

I

V

E

D

D

T

A

I

V

D

L

Q

V

V

A

L

L

K

N

E

N

G

G

F

F

R

R

T

T

H

G

D

D

I

I

A

Y

D

S

Q

A

S

G

T

T

N

-

R

-

F

-

K

K

V

L

L

V

G

G

T

C

A

K

E

E

M

M

G

G

K

E

L

E

V

V

L

L

K

K

active site: L18 (≠ I8), Y151 (= Y142), K202 (= K189), D234 (= D221), D258 (= D245), D262 (= D249)
binding 3-isopropylmalic acid: R106 (= R97), R144 (= R135), Y151 (= Y142), K202 (= K189), D234 (= D221), D258 (= D245)
binding magnesium ion: D258 (= D245), D262 (= D249)

1a05A Crystal structure of the complex of 3-isopropylmalate dehydrogenase from thiobacillus ferrooxidans with 3- isopropylmalate (see paper)
50% identity, 98% coverage: 3:359/363 of query aligns to 2:357/357 of 1a05A

query
sites
1a05A

K

K

N

K

I

I

L

A

V

I

I

F

P

A

G

G

D

D

G

G

I

I

G

G

P

P

E

E

V

I

T

V

T

A

W

A

G

A

K

R

A

Q

A

V

L

L

E

D

K

A

I

V

A

D

E

Q

I

A

F

A

G

H

H

L

E

G

F

L

A

R

F

C

E

T

E

E

A

G

L

L

M

V

G

G

H

G

A

A

I

L

E

D

V

A

T

S

G

D

E

D

P

P

L

L

P

P

D

A

E

A

T

S

L

L

E

Q

K

L

A

A

R

M

Q

A

S

A

D

D

A

A

I

V

L

I

F

L

G

G

A

A

I

V

G

G

H

G

A

P

K

R

Y

W

D

D

N

A

D

Y

P

P

S

P

L

A

K

K

V

-

R

R

P

P

E
|
E

Q

Q

G

G

L

L

K

R

I

L

R
|
R

K

K

E

G

L

L

G

D

L

L

F

Y

A

A

N

N

L

L

R
|
R

P

P

I

A

L

Q

L

I

F

F

D

P

E

Q

L

L

Q

D

A

A

S

S

S

P

I

L

K

R

P

P

E

E

I

L

L

V

R

R

G

D

T

V

D

D

I

I

L

L

F

V

R
|
R

E

E

L

L

T

T

G

G

D

D

V

I

Y
|
Y

F

F

G

G

E

Q

K

P

T

R

R

G

S

L

E

E

-

V

-

I

-

D

D

G

R

K

N

R

T

R

A

G

S

F

D

N

L

T

M

M

I

V

Y

Y

H

D

R

E

Y

D

E

E

V

I

E

R

R

R

I

I

A

A

H

H

K

V

A

A

Y

F

Q

R

A

A

Q

Q

Q

G

R

R

N

R

K

K

R

Q

L

L

C

C

S

S

V

V

D

D

K
|
K

A

A

N

N

V

V

L

L

E

E

S

T

R

R

L

L

W

W

R

R

E

E

T

V

V

V

Q

T

E

E

I

V

A

A

K

R

Q

D

Y

Y

P

P

D

D

V

V

E

R

T

L

E

S

H

H

M

M

F

Y

I

V

D
|
D

N

N

A

A

M

M

Q

Q

L

L

I

I

K

R

N

A

P

P

K

A

K

Q

F

F

D

D

V

V

V

L

L

L

T

T

A

G

N

N

L

M

F

F

G

G

D
|
D

I

I

L

L

T

S

D
|
D

E

E

A

A

S

S

Q

Q

I

L

A

T

G

G

S

S

M

I

G

G

M

M

L

L

A

P

S

S

A

A

S

S

V

L

G

G

E

E

S

G

T

R

G

A

F

M

F

Y

E

E

P

P

I

I

H

H

G

G

S

S

A

A

H

P

D

D

I

I

A

A

G

G

K

Q

D

D

L

K

A

A

N

N

P

P

L

L

A

A

S

T

I

I

L

L

S

S

A

V

A

A

L

M

M

M

L

L

E

R

I

H

G

S

F

L

G

N

L

A

K

E

E

P

E

W

A

A

K

Q

L

R

L

V

V

E

D

A

T

A

I

V

D

Q

Q

R

V

V

L

L

K

D

E

Q

G

G

F

L

R

R

T

T

H

A

D

D

I

I

A

A

D

A

Q

P

S

G

T

T

N

-

R

-

F

-

K

P

V

V

L

I

G

G

T

T

A

K

E

A

M

M

G

G

K

A

L

A

V

V

L

V

K

N

F

A

L

L

S

N

Q

L

K

K

active site: Y140 (= Y142), K190 (= K189), D222 (= D221), D246 (= D245), D250 (= D249)
binding 3-isopropylmalic acid: E88 (= E90), R95 (= R97), R105 (= R107), R133 (= R135), Y140 (= Y142), D246 (= D245)

Q56268 3-isopropylmalate dehydrogenase; 3-IPM-DH; Beta-IPM dehydrogenase; IMDH; EC 1.1.1.85 from Acidithiobacillus ferrooxidans (Thiobacillus ferrooxidans) (see paper)
50% identity, 98% coverage: 3:359/363 of query aligns to 2:357/358 of Q56268

query
sites
Q56268

K

K

N

K

I

I

L

A

V

I

I

F

P

A

G

G

D

D

G

G

I

I

G

G

P

P

E

E

V

I

T

V

T

A

W

A

G

A

K

R

A

Q

A

V

L

L

E

D

K

A

I

V

A

D

E

Q

I

A

F

A

G

H

H

L

E

G

F

L

A

R

F

C

E

T

E

E

A

G

L

L

M

V

G

G

H

G

A

A

I

L

E

D

V

A

T

S

G

D

E

D

P

P

L

L

P

P

D

A

E

A

T

S

L

L

E

Q

K

L

A

A

R

M

Q

A

S

A

D

D

A

A

I

V

L

I

F

L

G

G

A

A

I

V

G

G

H

G

A

P

K

R

Y

W

D

D

N

A

D

Y

P

P

S

P

L

A

K

K

V

-

R

R

P

P

E

E

Q

Q

G

G

L

L

K

R

I

L

R
|
R

K

K

E

G

L

L

G

D

L

L

F

Y

A

A

N

N

L

L

R
|
R

P

P

I

A

L

Q

L

I

F

F

D

P

E

Q

L

L

Q

D

A

A

S

S

S

P

I

L

K

R

P

P

E

E

I

L

L

V

R

R

G

D

T

V

D

D

I

I

L

L

F

V

R
|
R

E

E

L

L

T

T

G

G

D

D

V

I

Y

Y

F

F

G

G

E

Q

K

P

T

R

R

G

S

L

E

E

-

V

-

I

-

D

D

G

R

K

N

R

T

R

A

G

S

F

D

N

L

T

M

M

I

V

Y

Y

H

D

R

E

Y

D

E

E

V

I

E

R

R

R

I

I

A

A

H

H

K

V

A

A

Y

F

Q

R

A

A

Q

Q

Q

G

R

R

N

R

K

K

R

Q

L

L

C

C

S

S

V

V

D

D

K

K

A

A

N

N

V

V

L

L

E

E

S

T

R

R

L

L

W

W

R

R

E

E

T

V

V

V

Q

T

E

E

I

V

A

A

K

R

Q

D

Y

Y

P

P

D

D

V

V

E

R

T

L

E

S

H

H

M

M

F

Y

I

V

D
|
D

N

N

A

A

M

M

Q

Q

L

L

I

I

K

R

N

A

P

P

K

A

K

Q

F

F

D

D

V

V

V

L

L

L

T

T

A

G

N

N

L

M

F

F

G

G

D
|
D

I

I

L

L

T

S

D

D

E

E

A

A

S

S

Q

Q

I

L

A

T

G

G

S

S

M

I

G

G

M

M

L

L

A

P

S

S

A

A

S

S

V

L

G

G

E

E

S

G

T

R

G

A

F

M

F

Y

E

E

P

P

I

I

H

H

G

G

S

S

A

A

H

P

D

D

I

I

A

A

G

G

K

Q

D

D

L

K

A

A

N

N

P

P

L

L

A

A

S

T

I

I

L

L

S

S

A

V

A

A

L

M

M

M

L

L

E

R

I

H

G

S

F

L

G

N

L

A

K

E

E

P

E

W

A

A

K

Q

L

R

L

V

V

E

D

A

T

A

I

V

D

Q

Q

R

V

V

L

L

K

D

E

Q

G

G

F

L

R

R

T

T

H

A

D

D

I

I

A

A

D

A

Q

P

S

G

T

T

N

-

R

-

F

-

K

P

V

V

L

I

G

G

T

T

A

K

E

A

M

M

G

G

K

A

L

A

V

V

L

V

K

N

F

A

L

L

S

N

Q

L

K

K

R95 (= R97) binding
R105 (= R107) binding
R133 (= R135) binding
D222 (= D221) binding ; binding
D246 (= D245) binding

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)
50% identity, 99% coverage: 2:360/363 of query aligns to 46:405/409 of Q9FMT1

query
sites
Q9FMT1

K

R

K

Y

N

N

I

I

L

A

V

L

I

L

P

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

V

V

T

I

T

S

W

V

G

A

K

K

A

N

A

V

L

L

E

Q

K

K

I

A

A

G

E

S

I

L

F

E

G

G

H

L

E

E

F

F

A

D

F

F

E

K

E

E

A

M

L

P

M

V

G

G

H

G

A

A

I

L

E

D

V

L

T

V

G

G

E

V

P

P

L

L

P

P

D

E

E

E

T

T

L

F

E

T

K

A

A

A

R

K

Q

L

S

S

D

D

A

A

I

I

L

L

F

L

G

G

A

A

I

I

G

G

H

G

A

Y

K

K

Y

W

D

D

N

K

D

N

P

E

S

K

L

-

K

H

V

L

R

R

P

P

E

E

Q

M

G

A

L

L

L
x
F

K

Y

I

L

R

R

K

R

E

D

L

L

G

K

L

V

F

F

A

A

N

N

L

L

R

R

P

P

I

A

L

T

L

V

F

L

D

P

E

Q

L

L

L

V

Q

D

A

A

S

S

S

T

I

L

K

K

P

K

E

E

I

V

L

A

R

E

G

G

T

V

D

D

I

M

L

M

F

I

F

V

R

R

E

E

L

L

T

T

G

G

D

G

V

I

Y

Y

F

F

G

G

E

E

K

P

-

R

-

G

-

I

T

T

R

I

S

N

E

E

D

N

-

G

R

E

N

E

T

V

A

G

S

V

D

S

L

T

M

E

I

I

Y

Y

H

A

R

A

Y

H

E

E

V

I

E

D

R

R

I

I

A

A

H

R

K

V

A

A

Y

F

Q

E

A

T

A

A

Q

R

Q

K

R

R

N

R

K

G

R

K

L

L

C
|
C

S

S

V

V

D

D

K

K

A

A

N

N

V

V

L

L

E

D

S

A

S

S

R

I

L

L

W

W

R

R

E

K

T

R

V

V

Q

T

E

A

I

L

A

A

K

S

Q

E

Y

Y

P

P

D

D

V

V

E

E

T

L

E

S

H

H

M

M

F

Y

I

V

D

D

N

N

A

A

M

M

Q

Q

L

L

I

I

K

R

N

D

P

P

K

K

K

Q

F

F

D

D

V

T

V

I

L

V

T

T

A

N

N

N

L

I

F

F

G

G

D

D

I

I

L

L

T

S

D

D

E

E

A

A

S

S

Q

M

I

I

A

T

G

G

S

S

M

I

G

G

M

M

L

L

A

P

S

S

A

A

S

S

V

L

G

G

E

E

S

S

-

G

T

P

G

G

F

L

F

F

E

E

P

P

I

I

H

H

G

G

S

S

A

A

H

P

D

D

I

I

A

A

G

G

K

Q

D

D

L

K

A

A

N

N

P

P

L

L

A

A

S

T

I

I

L

L

S

S

A

A

L

M

M

L

L

L

E

K

I

Y

G

G

F

L

G

G

L

E

K

E

E

K

E

A

A

A

K

K

L

R

L

I

V

E

D

D

T

A

I

V

D

V

Q

D

V

A

L

L

K

N

E

K

G

G

F

F

R

R

T

T

H

G

D

D

I

I

A

Y

D

S

Q

P

S

G

T

N

N

-

R

-

F

-

K

K

V

L

L

V

G

G

T
x
C

A

K

E

E

M

M

G

G

K

E

L

E

V

V

L

L

K

K

F

S

L

V

S

E

Q

S

K

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 (= C185) Essential for redox regulation; mutation to S: Reduced sensitivity to oxidation on enzyme activity regulation.
C390 (≠ T345) Essential for redox regulation; mutation to S: Reduced sensitivity to oxidation on enzyme activity regulation.

6xxyA Crystal structure of haemophilus influenzae 3-isopropylmalate dehydrogenase in complex with o-isobutenyl oxalylhydroxamate. (see paper)
51% identity, 97% coverage: 4:354/363 of query aligns to 5:356/358 of 6xxyA

query
sites
6xxyA

N

N

I

I

L

A

V

V

I

L

P

A

G

G

D

D

G

G

I
|
I

G

G

P

P

E

E

V

V

T

M

T

A

W

E

G

A

K

I

A

K

A

V

L

L

E

N

K

R

I

V

A

Q

E

E

I

K

F

F

G

G

H

F

E

K

F

L

A

N

F

F

E

N

E

E

A

F

L

F

M

V

G

G

H

G

A

A

I

I

E

E

V

H

T

C

G

G

E

Y

P

P

L

L

P

P

D

A

E

E

T

T

L

L

E

K

K

G

A

C

R

D

Q

Q

S

A

D

D

A

A

I

I

L

L

F

F

G

G

A
x
S

I
x
V

G
|
G

H
x
G

A

P

K

K

Y

W

D

T

N

N

D

L

P

P

S

P

L

D

K

Q

V

-

R

Q

P

P

E
|
E

Q

R

G

G

-

A

L
|
L

K

P

I

L

R
|
R

K

K

E

H

L

F

G

K

L

L

F

F

A

C

N

N

L

L

R
|
R

P

P

I

A

L

T

L

L

F

Y

D

K

E

G

L

L

L

E

Q

K

A

F

S

C

S

P

I

L

K

R

P

A

E

D

I

I

L

A

-

A

R

K

G

G

T

F

D

D

I

M

L

V

F

V

R
|
R

E

E

L

L

T

T

G

G

D

G

V

I

Y
|
Y

F

F

G

G

E

Q

-

P

K

K

T

G

R

R

S

E

E

G

D

D

-

G

-

V

R

Q

N

T

T

K

A

A

S

F

D

D

L

T

M

E

I

V

Y

Y

H

Y

R

K

Y

Y

E

E

V

I

E

E

R

R

I

I

A

A

H

R

K

A

A

A

Y

F

Q

E

A

A

Q

M

Q

K

R

R

N

N

K

K

R

K

L

V

C

T

S

S

V

V

D

D

K
|
K

A

A

N
|
N

V
|
V

L

L

E

Q

S

S

R

I

L

L

W

W

R

R

E

E

T

T

V

V

Q

T

E

E

I

M

A

A

K

K

Q

D

Y

Y

P

P

D

E

V

V

E

T

T

L

E

E

H

H

M

I

F
x
Y

I

I

D
|
D

N
|
N

A

A

A

T

M
|
M

Q

Q

L

L

I

I

K

K

N

S

P

P

K

E

K

S

F

F

D

D

V

V

V

L

L

L

T

C

A

S

N

N

L

I

F

F

G

G

D
|
D

I

I

L

I

T

S

D
|
D

E

E

A

A

S

A

Q

M

I

I

A

T

G

G

S

S

M
|
M

G
|
G

M

M

L

L

A

P

S

S

A

A

S

S

V

L

G

N

E

E

S

E

T

G

-

F

G

G

F

L

F

Y

E
|
E

P

P

I
x
A

H
x
G

G
|
G

S
|
S

A
|
A

H
x
P

D
|
D

I
|
I

A

A

G

G

K

K

D

G

L

I

A
|
A

N
|
N

P

P

L

I

A

A

S

Q

I

I

L

L

S

S

A

A

L

M

M

M

L

L

E

R

I

Y

G

S

F

F

G

N

L

L

K

N

E

E

E

A

A

A

K

D

L

A

L

I

V

E

D

S

T

A

I

V

D

Q

Q

K

V

V

L

L

K

A

E

S

G

G

F

H

R

R

T

T

H

A

D
|
D

I

L

A

A

D

D

Q

D

S

S

T

T

N

P

R

-

F

-

K

-

V

-

L

V

G

S

T

T

A

A

E

E

M

M

G

G

K

T

L

L

V

I

L

T

K

Q

active site: Y144 (= Y142), K194 (= K189), D226 (= D221), D250 (= D245)
binding magnesium ion: D250 (= D245), D254 (= D249)
binding nicotinamide-adenine-dinucleotide: I14 (= I13), S74 (≠ A73), V75 (≠ I74), G76 (= G75), G77 (≠ H76), E90 (= E90), L94 (= L93), N196 (= N191), Y224 (≠ F219), N227 (= N222), M230 (= M225), M263 (= M258), G264 (= G259), E280 (= E274), G283 (≠ H277), G284 (= G278), S285 (= S279), A286 (= A280), P287 (≠ H281), D288 (= D282), I289 (= I283), A295 (= A289), N296 (= N290), D337 (= D331)
binding 2-(2-methylprop-2-enoxyamino)-2-oxidanylidene-ethanoic acid: E90 (= E90), L94 (= L93), L95 (= L94), R98 (= R97), R108 (= R107), R137 (= R135), K194 (= K189), V197 (= V192), D226 (= D221), D250 (= D245), A282 (≠ I276)

4xxvA Crystal structure of 3-isopropylmalate dehydrogenase from burkholderia thailandensis in complex with NAD
50% identity, 97% coverage: 5:356/363 of query aligns to 4:356/356 of 4xxvA

query
sites
4xxvA

I

I

L

A

V

V

I

L

P

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

V

I

T

V

T

N

W

E

G

A

K

V

A

K

A

V

L

L

E

N

K

A

I

L

A

D

E

E

I

-

F

-

G

-

H

-

E

K

F

F

A

E

F

L

E

E

E

H

A

A

L

P

M

V

G

G

H

G

A

A

A

G

I

Y

E

E

V

A

T

S

G

G

E

H

P

P

L

L

P

P

D

D

E

A

T

T

L

L

E

A

K

L

A

A

R

K

Q

E

S

A

D

D

A

A

I

I

L

L

F

F

G

G

A

A

I

V

G

G

H

D

A

W

K

K

Y

Y

D

D

N

-

D

-

P

-

S

S

L

L

K

E

-

R

-

A

V

L

R

R

P

P

E

E

Q

Q

G

A

L

I

L

L

K

G

I

L

R

R

K

K

E

H

L

L

G

E

L

L

F

F

A

A

N

N

L

F

R

R

P

P

I

A

L

I

L

C

F

Y

D

P

E

Q

L

L

L

V

Q

D

A

A

S

S

S

P

I

L

K

K

P

P

E

E

I

L

L

V

R

A

G

G

T

L

D

D

I

I

L

L

F

I

F

V

R

R

E

E

L

L

T

N

G

G

D

D

V

I

Y
|
Y

F

F

G

G

E

Q

K

P

T

R

-

G

-

V

-

R

R

A

S

A

E

P

D

D

R

G

N

P

T

F

A

A

S

G

-

E

-

R

-

E

-

G

-

F

D

D

L

T

M

M

I

R

Y

Y

H

S

R

E

Y

P

E

E

V

V

E

R

R

R

I

I

A

A

H

H

K

V

A

A

Y

F

Q

Q

A

A

Q

Q

Q

K

R

R

N

A

K

K

R

K

L

L

C

L

S

S

V

V

D

D

K
|
K

A

S

N
|
N

V

V

L

L

E

E

S

T

S

S

R

Q

L

F

W

W

R

R

E

D

T

V

V

M

Q

I

E

D

I

V

A

S

K

K

Q

E

Y

Y

P

A

D

D

V

V

E

E

T

L

E

S

H

H

M

M

F
x
Y

I

V

D
|
D

N
|
N

A

A

M
|
M

Q
|
Q

L

L

I

A

K

K

N

A

P

P

K

K

K

Q

F

F

D

D

V

V

V

I

L

V

T

T

A

G

N

N

L

M

F

F

G

G

D
|
D

I

I

L

L

T

S

D
|
D

E

E

A

A

S

S

Q

M

I

L

A

T

G

G

S

S

M

I

G

G

M

M

L

L

A

P

S

S

A

A

S

S

V

L

G

D

E

K

S

N

T

N

-

K

G

G

F

L

F

Y

E

E

P

P

I

S

H

H

G

G

S

S

A

A

H

P

D

D

I

I

A

A

G

G

K

K

D

G

L

I

A

A

N

N

P

P

L

L

A

A

S

T

I

I

L

L

S

S

A

A

L

M

M

L

L

L

E

R

I

Y

G

S

F

L

G

N

L

R

K

A

E

E

E

Q

A

A

K

D

L

R

L

I

V

E

D

R

T

A

I

V

D

K

Q

T

V

V

L

L

K

E

E

Q

G

G

F

Y

R

R

T

T

H

G

D

D

I

I

A

A

D

-

Q

-

S

-

T

T

N

P

R

G

F

C

K

R

V

Q

L

V

G

G

T

T

A

A

E

A

M

M

G

G

K

D

L

A

V

V

L

V

K

A

F

A

L

L

active site: Y136 (= Y142), K191 (= K189), D223 (= D221), D247 (= D245), D251 (= D249)
binding nicotinamide-adenine-dinucleotide: N193 (= N191), Y221 (≠ F219), N224 (= N222), M227 (= M225), Q228 (= Q226)

4iwhA Crystal structure of a 3-isopropylmalate dehydrogenase from burkholderia pseudomallei
50% identity, 97% coverage: 5:356/363 of query aligns to 6:358/358 of 4iwhA

query
sites
4iwhA

I

I

L

A

V

V

I

L

P

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

V

I

T

V

T

N

W

E

G

A

K

V

A

K

A

V

L

L

E

N

K

A

I

L

A

D

E

E

I

-

F

-

G

-

H

-

E

K

F

F

A

E

F

L

E

E

E

H

A

A

L

P

M

V

G

G

H

G

A

A

A

G

I

Y

E

E

V

A

T

S

G

G

E

H

P

P

L

L

P

P

D

D

E

A

T

T

L

L

E

A

K

L

A

A

R

K

Q

E

S

A

D

D

A

A

I

I

L

L

F

F

G

G

A

A

I

V

G

G

H

D

A

W

K

K

Y

Y

D

D

N

-

D

-

P

-

S

S

L

L

K

E

-

R

-

A

V

L

R

R

P

P

E

E

Q

Q

G

A

L

I

L

L

K

G

I

L

R

R

K

K

E

H

L

L

G

E

L

L

F

F

A

A

N

N

L

F

R

R

P

P

I

A

L

I

L

C

F

Y

D

P

E

Q

L

L

L

V

Q

D

A

A

S

S

S

P

I

L

K

K

P

P

E

E

I

L

L

V

R

A

G

G

T

L

D

D

I

I

L

L

F

I

F

V

R

R

E

E

L

L

T

N

G

G

D

D

V

I

Y
|
Y

F

F

G

G

E

Q

K

P

T

R

-

G

-

V

-

R

R

A

S

A

E

P

D

D

R

G

N

P

T

F

A

A

S

G

-

E

-

R

-

E

-

G

-

F

D

D

L

T

M

M

I

R

Y

Y

H

S

R

E

Y

P

E

E

V

V

E

R

R

R

I

I

A

A

H

H

K

V

A

A

Y

F

Q

Q

A

A

Q

Q

Q

K

R

R

N

A

K

K

R

K

L

L

C

L

S

S

V

V

D

D

K
|
K

A

S

N

N

V

V

L

L

E

E

S

T

S

S

R

Q

L

F

W

W

R

R

E

D

T

V

V

M

Q

I

E

D

I

V

A

S

K

K

Q

E

Y

Y

P

A

D

D

V

V

E

E

T

L

E

S

H

H

M

M

F

Y

I

V

D
|
D

N

N

A

A

M

M

Q

Q

L

L

I

A

K

K

N

A

P

P

K

K

K

Q

F

F

D

D

V

V

V

I

L

V

T

T

A

G

N

N

L

M

F

F

G

G

D
|
D

I

I

L

L

T

S

D
|
D

E

E

A

A

S

S

Q

M

I

L

A

T

G

G

S

S

M

I

G

G

M

M

L

L

A

P

S

S

A

A

S

S

V

L

G

D

E

K

S

N

T

N

-

K

G

G

F

L

F

Y

E

E

P

P

I

S

H

H

G

G

S

S

A

A

H

P

D

D

I

I

A

A

G

G

K

K

D

G

L

I

A

A

N

N

P

P

L

L

A

A

S

T

I

I

L

L

S

S

A

A

L

M

M

L

L

L

E

R

I

Y

G

S

F

L

G

N

L

R

K

A

E

E

E

Q

A

A

K

D

L

R

L

I

V

E

D

R

T

A

I

V

D

K

Q

T

V

V

L

L

K

E

E

Q

G

G

F

Y

R

R

T

T

H

G

D

D

I

I

A

A

D

-

Q

-

S

-

T

T

N

P

R

G

F

C

K

R

V

Q

L

V

G

G

T

T

A

A

E

A

M

M

G

G

K

D

L

A

V

V

L

V

K

A

F

A

L

L

active site: Y138 (= Y142), K193 (= K189), D225 (= D221), D249 (= D245), D253 (= D249)
binding magnesium ion: D249 (= D245), D253 (= D249)

2y42D Structure of isopropylmalate dehydrogenase from thermus thermophilus - complex with nadh and mn (see paper)
50% identity, 89% coverage: 4:325/363 of query aligns to 3:322/355 of 2y42D

query
sites
2y42D

N

K

I

V

L

A

V

V

I

L

P

P

G

G

D

D

G

G

I
|
I

G

G

P

P

E

E

V

V

T

T

T

E

W

A

G

A

K

L

A

K

A

V

L

L

E

R

K

A

I

L

A

D

E

E

I

A

F

E

G

G

H

L

E

G

F

L

A

A

F

Y

E

E

E

V

A

F

L

P

M

F

G

G

H

G

A

A

I

I

E

D

V

A

T

F

G

G

E

E

P

P

L

F

P

P

D

E

E

P

T

T

L

R

E

K

K

G

A

V

R

E

Q

E

S

A

D

E

A

A

I

V

L

L

F

L

G

G

A

S

I
x
V

G

G

H

G

A

P

K

K

Y

W

D
|
D

N

G

D

L

P

P

S

R

L

-

K

K

V

I

R

R

P

P

E
|
E

Q

T

G

G

L

L

K

S

I

L

R

R

K

K

E

S

L

Q

G

D

L

L

F

F

A

A

N

N

L

L

R

R

P

P

I

A

L

K

L

V

F

F

D

P

E

G

L

L

L

E

Q

R

A

L

S

S

S

P

I

L

K

K

P

E

E

E

I

I

L

A

R

R

G

G

T

V

D

D

I

V

L

L

F

I

F

V

R

R

E

E

L

L

T

T

G

G

D

G

V

I

Y
|
Y

F

F

G

G

E

E

K

P

T

-

R

R

S

G

E

M

D

S

R

E

N

A

T

E

A

A

S

W

D

N

L

T

M

E

I

R

Y

Y

H

S

R

K

Y

P

E

E

V

V

E

E

R

R

I

V

A

A

H

R

K

V

A

A

Y

F

Q

E

A

A

Q

R

Q

K

R

R

N

R

K

K

R

H

L

V

C

V

S

S

V

V

D

D

K
|
K

A

A

N

N

V

V

L

L

E

E

S

V

S

G

R

E

L

F

W

W

R

R

E

K

T

T

V

V

Q

E

E

E

I

V

A

G

K

R

Q

G

Y

Y

P

P

D

D

V

V

E

A

T

L

E

E

H

H

M

Q

F

Y

I

V

D
|
D

N

A

A

M

A

A

M

M

Q

H

L

L

I

V

K

R

N

S

P

P

K

A

K

R

F

F

D

D

V

V

L

V

T

T

A

G

N

N

L

I

F

F

G

G

D
|
D

I

I

L

L

T

S

D
|
D

E

L

A

A

S

S

Q

V

I

L

A

P

G

G

S

S

M
x
L

G
|
G

M

L

L

L

A

P

S

S

A

A

S

S

V

L

G

G

E

R

S

G

T

T

G

P

F

V

F

F

E

E

P

P

I

V

H
|
H

G
|
G

S
|
S

A
|
A

H
x
P

D
|
D

I
|
I

A

A

G

G

K

K

D

G

L

I

A
|
A

N
|
N

P

P

L

T

A

A

S

A

I

I

L

L

S

S

A

A

L

M

M

M

L

L

E

E

I

H

G

A

F

F

G

G

L

L

K

V

E

E

E

L

A

A

K

R

L

K

L

V

V

E

D

D

T

A

I

V

D

A

Q

K

V

A

L

L

K

L

E

E

active site: Y140 (= Y142), K186 (= K189), D218 (= D221), D242 (= D245), D246 (= D249)
binding manganese (ii) ion: D242 (= D245), D246 (= D249)
binding nicotinamide-adenine-dinucleotide: I12 (= I13), V73 (≠ I74), D79 (= D80), E88 (= E90), L255 (≠ M258), G256 (= G259), H274 (= H277), G275 (= G278), S276 (= S279), A277 (= A280), P278 (≠ H281), D279 (= D282), I280 (= I283), A286 (= A289), N287 (= N290)

Sites not aligning to the query:

binding nicotinamide-adenine-dinucleotide: 327

2y41A Structure of isopropylmalate dehydrogenase from thermus thermophilus - complex with ipm and mn (see paper)
50% identity, 89% coverage: 4:325/363 of query aligns to 3:322/346 of 2y41A

query
sites
2y41A

N

K

I

V

L

A

V

V

I

L

P

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

V

V

T

T

T

E

W

A

G

A

K

L

A

K

A

V

L

L

E

R

K

A

I

L

A

D

E

E

I

A

F

E

G

G

H

L

E

G

F

L

A

A

F

Y

E

E

E

V

A

F

L

P

M

F

G

G

H

G

A

A

I

I

E

D

V

A

T

F

G

G

E

E

P

P

L

F

P

P

D

E

E

P

T

T

L

R

E

K

K

G

A

V

R

E

Q

E

S

A

D

E

A

A

I

V

L

L

F

L

G

G

A

S

I

V

G

G

H

G

A

P

K

K

Y

W

D

D

N

G

D

L

P

P

S

R

L

-

K

K

V

I

R

R

P

P

E
|
E

Q

T

G

G

L

L

K

S

I

L

R
|
R

K

K

E

S

L

Q

G

D

L

L

F

F

A

A

N

N

L

L

R
|
R

P

P

I

A

L

K

L

V

F

F

D

P

E

G

L

L

L

E

Q

R

A

L

S

S

S

P

I

L

K

K

P

E

E

E

I

I

L

A

R

R

G

G

T

V

D

D

I

V

L

L

F

I

F

V

R
|
R

E

E

L

L

T

T

G

G

D

G

V

I

Y
|
Y

F

F

G

G

E

E

K

P

T

-

R

R

S

G

E

M

D

S

R

E

N

A

T

E

A

A

S

W

D

N

L

T

M

E

I

R

Y

Y

H

S

R

K

Y

P

E

E

V

V

E

E

R

R

I

V

A

A

H

R

K

V

A

A

Y

F

Q

E

A

A

Q

R

Q

K

R

R

N

R

K

K

R

H

L

V

C

V

S

S

V

V

D

D

K
|
K

A

A

N
|
N

V
|
V

L

L

E

E

S

V

S

G

R

E

L

F

W

W

R

R

E

K

T

T

V

V

Q

E

E

E

I

V

A

G

K

R

Q

G

Y

Y

P

P

D

D

V

V

E

A

T

L

E

E

H

H

M

Q

F

Y

I

V

D
|
D

N

A

A

M

A

A

M

M

Q

H

L

L

I

V

K

R

N

S

P

P

K

A

K

R

F

F

D

D

V

V

L

V

T

T

A

G

N

N

L

I

F

F

G

G

D
|
D

I

I

L

L

T

S

D
|
D

E

L

A

A

S

S

Q

V

I

L

A

P

G

G

S

S

M

L

G

G

M

L

L

L

A

P

S

S

A

A

S

S

V

L

G

G

E

R

S

G

T

T

G

P

F

V

F

F

E

E

P

P

I

V

H

H

G

G

S

S

A

A

H

P

D

D

I

I

A

A

G

G

K

K

D

G

L

I

A

A

N

N

P

P

L

T

A

A

S

A

I

I

L

L

S

S

A

A

L

M

M

M

L

L

E

E

I

H

G

A

F

F

G

G

L

L

K

V

E

E

E

L

A

A

K

R

L

K

L

V

V

E

D

D

T

A

I

V

D

A

Q

K

V

A

L

L

K

L

E

E

active site: Y140 (= Y142), K186 (= K189), D218 (= D221), D242 (= D245), D246 (= D249)
binding 3-isopropylmalic acid: E88 (= E90), R95 (= R97), R105 (= R107), R133 (= R135), Y140 (= Y142), K186 (= K189), N188 (= N191), V189 (= V192), D218 (= D221), D242 (= D245)
binding manganese (ii) ion: D242 (= D245), D246 (= D249)

2ztwA Structure of 3-isopropylmalate dehydrogenase in complex with the inhibitor and NAD+ (see paper)
50% identity, 89% coverage: 4:325/363 of query aligns to 2:321/345 of 2ztwA

query
sites
2ztwA

N

K

I

V

L

A

V

V

I

L

P

P

G

G

D

D

G

G

I
|
I

G

G

P

P

E

E

V

V

T

T

T

E

W

A

G

A

K

L

A

K

A

V

L

L

E

R

K

A

I

L

A

D

E

E

I

A

F

E

G

G

H

L

E

G

F

L

A

A

F

Y

E

E

E

V

A

F

L

P

M

F

G

G

H

G

A

A

I

I

E

D

V

A

T

F

G

G

E

E

P

P

L

F

P

P

D

E

E

P

T

T

L

R

E

K

K

G

A

V

R

E

Q

E

S

A

D

E

A

A

I

V

L

L

F

L

G

G

A

S

I

V

G

G

H

G

A

P

K

K

Y

W

D

D

N

G

D

L

P

P

S

R

L

-

K

K

V

I

R

R

P

P

E

E

Q

T

G

G

L

L

K

S

I

L

R
|
R

K

K

E

S

L

Q

G

D

L

L

F

F

A

A

N

N

L

L

R

R

P

P

I

A

L

K

L

V

F

F

D

P

E

G

L

L