SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Synpcc7942_1505 FitnessBrowser__SynE:Synpcc7942_1505 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)
66% identity, 99% coverage: 3:365/365 of query aligns to 41:403/405 of P93832

query
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114:129 (vs. 76:91, 63% identical) binding NAD(+)
L132 (= L94) mutation to A: Reduced activity toward 3-isopropylmalate.
L133 (= L95) 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 (= R98) binding substrate; mutation to A: Loss of activity toward 3-isopropylmalate.; mutation to K: Reduced activity toward 3-isopropylmalate.
R146 (= R108) binding substrate; mutation to A: Reduced activity toward 3-isopropylmalate.; mutation to K: Reduced activity toward 3-isopropylmalate.
R174 (= R136) binding substrate; mutation to A: Loss of activity toward 3-isopropylmalate.; mutation to K: Reduced activity toward 3-isopropylmalate.
Y181 (= Y143) Important for catalysis; mutation Y->A,F,H: Reduced activity toward 3-isopropylmalate.
K232 (= K194) Important for catalysis; mutation to M: Loss of activity toward 3-isopropylmalate.
N234 (= N196) binding NAD(+); mutation N->A,D: Loss of activity toward 3-isopropylmalate.
V235 (= V197) 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. 280:296, 94% identical) binding NAD(+)

5j33A Isopropylmalate dehydrogenase in complex with NAD+ (see paper)
67% identity, 98% coverage: 3:361/365 of query aligns to 1:359/360 of 5j33A

query
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active site: Y141 (= Y143), K192 (= K194), D224 (= D226), D248 (= D250), D252 (= D254)
binding magnesium ion: D248 (= D250), D252 (= D254)
binding nicotinamide-adenine-dinucleotide: I74 (= I76), E89 (= E91), L92 (= L94), I261 (= I263), E278 (= E280), H281 (= H283), G282 (= G284), S283 (= S285), A284 (= A286), I287 (= I289), N294 (= N296), D335 (= D337)

5j32A Isopropylmalate dehydrogenase in complex with isopropylmalate (see paper)
67% identity, 98% coverage: 3:361/365 of query aligns to 11:369/369 of 5j32A

query
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active site: L18 (= L10), Y151 (= Y143), K202 (= K194), D234 (= D226), D258 (= D250), D262 (= D254)
binding 3-isopropylmalic acid: R106 (= R98), R144 (= R136), Y151 (= Y143), D258 (= D250)
binding magnesium ion: D258 (= D250), D262 (= D254)

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)
64% identity, 99% coverage: 1:363/365 of query aligns to 40:402/404 of Q9SA14

query
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Q9SA14

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K

S

H

Q

L

R

R

P

P

E

E

T

M

G

G

L

L

L
|
L

G

N

L

I

R

R

A

R

G

D

L

L

G

N

L

V

F

F

A

A

N

N

L

L

R

R

P

P

A

A

A

T

I

V

L

L

P

P

Q

Q

L

L

V

V

D

D

A

A

S

S

S

T

L

L

K

K

R

K

E

E

V

V

I

A

E

Q

G

G

V

V

D

D

L

M

M

M

V

I

V

V

R

R

E

E

L

L

T

T

G

G

I

I

Y

Y

F

F

G

G

E

E

P

P

K

R

G

G

C

I

F

T

A

I

D

N

E

E

Q

N

G

G

R

E

Q

E

R

V

A

G

F

F

N

N

T

T

M

E

V

I

Y

Y

R

A

E

A

D

H

E

E

I

I

D

D

R

R

I

I

G

A

R

R

V

V

A

A

F

F

D

E

I

T

A

A

R

R

K

K

R

R

G

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

V

A

S

S

Q

I

L

L

W

W

R

R

D

K

R

R

M

V

T

T

L

A

L

L

G

A

S

S

D

E

Y

Y

A

P

D

D

V

V

E

E

L

L

S

S

H

H

L

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

K

K

Q

Q

F

F

D

D

T

T

I

I

V

V

T

T

G

N

N

N

L

I

F

F

G

G

D

D

I

I

L

L

S

S

D

D

I

E

A

A

A

S

M

M

L

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

E

S

G

G

P

P

G

G

V

L

F

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

D

D

K

K

A

A

N

N

P

P

L

L

A

A

Q

T

V

I

L

L

S

S

A

A

M

M

M

L

L

L

R

K

Y

Y

G

G

L

L

D

G

E

E

P

E

E

K

A

A

A

K

R

M

I

I

E

E

A

D

A

A

V

V

N

V

Q

D

V

A

L

L

D

N

Q

K

G

G

Y

F

R

R

T

T

G

G

D

D

L

I

Y

Y

S

S

E

P

G

G

M

N

T

K

L

L

V

V

G

G

C

C

K

K

G

E

M

M

G

G

D

E

A

E

L

V

L

L

A

K

A

S

L

V

E

D

S

S

P

K

V

V

L134 (= L95) 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)
64% identity, 99% coverage: 3:365/365 of query aligns to 45:407/409 of Q9FMT1

query
sites
Q9FMT1

R

K

S

R

Y

Y

R

N

I

I

T

A

L

L

P

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

I

V

M

I

A

S

V

V

T

A

V

K

D

N

I

V

L

L

R

Q

A

K

I

A

G

G

R

S

Q

L

F

E

D

G

L

L

N

E

F

F

E

D

F

F

E

K

E

E

A

M

L

P

I

V

G

G

S

A

A

A

I

L

D

D

A

L

T

V

G

G

E

V

P

P

L

L

P

P

E

E

A

E

T

T

L

F

A

T

T

A

C

A

R

K

N

L

S

S

D

D

A

A

V

I

L

L

A

G

A

A

I

I

G

G

Y

Y

K

K

W

W

D

D

S

K

L

N

P

E

R

K

S

H

Q

L

R

R

P

P

E

E

T

M

G

A

L

L

L
x
F

G

Y

L

L

R

R

A

R

G

D

L

L

G

K

L

V

F

F

A

A

N

N

L

L

R

R

P

P

A

A

A

T

I

V

L

L

P

P

Q

Q

L

L

V

V

D

D

A

A

S

S

S

T

L

L

K

K

R

K

E

E

V

V

I

A

E

E

G

G

V

V

D

D

L

M

M

M

V

I

V

V

R

R

E

E

L

L

T

T

G

G

I

I

Y

Y

F

F

G

G

E

E

P

P

K

R

G

G

C

I

F

T

A

I

D

N

E

E

Q

N

G

G

R

E

Q

E

R

V

A

G

F

V

N

S

T

T

M

E

V

I

Y

Y

R

A

E

A

D

H

E

E

I

I

D

D

R

R

I

I

G

A

R

R

V

V

A

A

F

F

D

E

I

T

A

A

R

R

K

K

R

R

G

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

V

A

S

S

Q

I

L

L

W

W

R

R

D

K

R

R

M

V

T

T

L

A

L

L

G

A

S

S

D

E

Y

Y

A

P

D

D

V

V

E

E

L

L

S

S

H

H

L

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

K

K

Q

Q

F

F

D

D

T

T

I

I

V

V

T

T

G

N

N

N

L

I

F

F

G

G

D

D

I

I

L

L

S

S

D

D

I

E

A

A

A

S

M

M

L

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

E

S

G

G

P

P

G

G

V

L

F

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

D

D

K

K

A

A

N

N

P

P

L

L

A

A

Q

T

V

I

L

L

S

S

A

A

M

M

M

L

L

L

R

K

Y

Y

G

G

L

L

D

G

E

E

P

E

E

K

A

A

A

K

R

R

I

I

E

E

A

D

A

A

V

V

N

V

Q

D

V

A

L

L

D

N

Q

K

G

G

Y

F

R

R

T

T

G

G

D

D

L

I

Y

Y

S

S

E

P

G

G

M

N

T

K

L

L

V

V

G

G

C
|
C

K

K

G

E

M

M

G

G

D

E

A

E

L

V

L

L

A

K

A

S

L

V

E

E

S

S

P

K

V

V

S

P

A

A

F137 (≠ L95) Confers substrate specificity; mutation to L: Reduced activity toward 3-(2'-methylthio)-ethylmalate, but enhanced catalytic efficiency with 3-isopropylmalate.
C232 (= C190) Essential for redox regulation; mutation to S: Reduced sensitivity to oxidation on enzyme activity regulation.
C390 (= C348) Essential for redox regulation; mutation to S: Reduced sensitivity to oxidation on enzyme activity regulation.

4iwhA Crystal structure of a 3-isopropylmalate dehydrogenase from burkholderia pseudomallei
59% identity, 97% coverage: 6:359/365 of query aligns to 5:358/358 of 4iwhA

query
sites
4iwhA

R

K

I

I

T

A

L

V

L

L

P

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

I

I

M

V

A

N

V

E

T

A

V

V

D

K

I

V

L

L

R

N

A

A

I

L

G

-

R

-

Q

-

F

-

D

D

L

E

N

K

F

F

E

E

F

L

E

E

E

H

A

A

L

P

I

V

G

G

S

A

A

G

I

Y

D

E

A

A

T

S

G

G

E

H

P

P

L

L

P

P

E

D

A

A

T

T

L

L

A

A

T

L

C

A

R

K

N

E

S

A

D

D

A

A

V

I

L

L

L

F

A

G

A

A

I

V

G

G

G

D

Y

W

K

K

W

Y

D

D

S

S

L

L

P

E

R

R

S

A

Q

L

R

R

P

P

E

E

T

Q

G

A

L

I

L

L

G

G

L

L

R

R

A

K

G

H

L

L

G

E

L

L

F

F

A

A

N

N

L

F

R

R

P

P

A

A

A

I

I

C

L

Y

P

P

Q

Q

L

L

V

V

D

D

A

A

S

S

S

P

L

L

K

K

R

P

E

E

V

L

I

V

E

A

G

G

V

L

D

D

L

I

M

L

V

I

V

V

R

R

E

E

L

L

T

N

G

G

G

D

I

I

Y
|
Y

F

F

G

G

E

Q

P

P

K

R

G

G

C

V

F

R

A

A

D

A

E

P

Q

D

G

G

-

P

-

F

-

A

-

G

R

E

Q

R

R

E

A

G

F

F

N

D

T

T

M

M

V

R

Y

Y

R

S

E

E

D

P

E

E

I

V

D

R

R

R

I

I

G

A

R

H

V

V

A

A

F

F

D

Q

I

A

A

A

R

Q

K

K

R

R

G

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

V

T

S

S

Q

Q

L

F

W

W

R

R

D

D

R

V

M

M

T

I

L

D

L

V

G

S

S

K

D

E

Y

Y

A

A

D

D

V

V

E

E

L

L

S

S

H

H

L

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

K

K

Q

Q

F

F

D

D

T

V

I

I

V

V

T

T

G

G

N

N

L

M

F

F

G

G

D
|
D

I

I

L

L

S

S

D
|
D

I

E

A

A

A

S

M

M

L

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

E

N

G

N

P

K

G

G

V

L

F

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

D

G

K

I

A

A

N

N

P

P

L

L

A

A

Q

T

V

I

L

L

S

S

A

A

M

M

M

L

L

L

R

R

Y

Y

G

S

L

L

D

N

E

R

P

A

E

E

A

Q

A

A

A

D

R

R

I

I

E

E

A

R

A

A

V

V

N

K

Q

T

V

V

L

L

D

E

Q

Q

G

G

Y

Y

R

R

T

T

G

G

D

D

L

I

Y

A

S

T

E

P

G

G

M

C

T

R

L

Q

V

V

G

G

C

T

K

A

G

A

M

M

G

G

D

D

A

A

L

V

A

A

L

L

active site: Y138 (= Y143), K193 (= K194), 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
59% identity, 97% coverage: 6:359/365 of query aligns to 3:356/356 of 4xxvA

query
sites
4xxvA

R

K

I

I

T

A

L

V

L

L

P

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

I

I

M

V

A

N

V

E

T

A

V

V

D

K

I

V

L

L

R

N

A

A

I

L

G

-

R

-

Q

-

F

-

D

D

L

E

N

K

F

F

E

E

F

L

E

E

E

H

A

A

L

P

I

V

G

G

S

A

A

G

I

Y

D

E

A

A

T

S

G

G

E

H

P

P

L

L

P

P

E

D

A

A

T

T

L

L

A

A

T

L

C

A

R

K

N

E

S

A

D

D

A

A

V

I

L

L

L

F

A

G

A

A

I

V

G

G

G

D

Y

W

K

K

W

Y

D

D

S

S

L

L

P

E

R

R

S

A

Q

L

R

R

P

P

E

E

T

Q

G

A

L

I

L

L

G

G

L

L

R

R

A

K

G

H

L

L

G

E

L

L

F

F

A

A

N

N

L

F

R

R

P

P

A

A

A

I

I

C

L

Y

P

P

Q

Q

L

L

V

V

D

D

A

A

S

S

S

P

L

L

K

K

R

P

E

E

V

L

I

V

E

A

G

G

V

L

D

D

L

I

M

L

V

I

V

V

R

R

E

E

L

L

T

N

G

G

G

D

I

I

Y
|
Y

F

F

G

G

E

Q

P

P

K

R

G

G

C

V

F

R

A

A

D

A

E

P

Q

D

G

G

-

P

-

F

-

A

-

G

R

E

Q

R

R

E

A

G

F

F

N

D

T

T

M

M

V

R

Y

Y

R

S

E

E

D

P

E

E

I

V

D

R

R

R

I

I

G

A

R

H

V

V

A

A

F

F

D

Q

I

A

A

A

R

Q

K

K

R

R

G

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

V

T

S

S

Q

Q

L

F

W

W

R

R

D

D

R

V

M

M

T

I

L

D

L

V

G

S

S

K

D

E

Y

Y

A

A

D

D

V

V

E

E

L

L

S

S

H

H

L

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

K

K

Q

Q

F

F

D

D

T

V

I

I

V

V

T

T

G

G

N

N

L

M

F

F

G

G

D
|
D

I

I

L

L

S

S

D
|
D

I

E

A

A

A

S

M

M

L

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

E

N

G

N

P

K

G

G

V

L

F

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

D

G

K

I

A

A

N

N

P

P

L

L

A

A

Q

T

V

I

L

L

S

S

A

A

M

M

M

L

L

L

R

R

Y

Y

G

S

L

L

D

N

E

R

P

A

E

E

A

Q

A

A

A

D

R

R

I

I

E

E

A

R

A

A

V

V

N

K

Q

T

V

V

L

L

D

E

Q

Q

G

G

Y

Y

R

R

T

T

G

G

D

D

L

I

Y

A

S

T

E

P

G

G

M

C

T

R

L

Q

V

V

G

G

C

T

K

A

G

A

M

M

G

G

D

D

A

A

L

V

A

A

L

L

active site: Y136 (= Y143), K191 (= K194), D223 (= D226), D247 (= D250), D251 (= D254)
binding nicotinamide-adenine-dinucleotide: N193 (= N196), Y221 (= Y224), N224 (= N227)

1a05A Crystal structure of the complex of 3-isopropylmalate dehydrogenase from thiobacillus ferrooxidans with 3-isopropylmalate (see paper)
59% identity, 97% coverage: 6:360/365 of query aligns to 3:355/357 of 1a05A

query
sites
1a05A

R

K

I

I

T

A

L

I

L

F

P

A

G

G

D

D

G

G

I

I

G

G

P

P

E

E

I

I

M

V

A

A

V

A

T

A

V

R

D

Q

I

V

L

L

R

D

A

A

I

V

G

D

R

Q

Q

A

F

A

D

H

L

L

N

G

F

L

E

R

F

C

E

T

E

E

A

G

L

L

I

V

G

G

S

A

A

A

I

L

D

D

A

A

T

S

G

D

E

D

P

P

L

L

P

P

E

A

A

A

T

S

L

L

A

Q

T

L

C

A

R

M

N

A

S

A

D

D

A

A

V

V

L

I

L

L

A

G

A

A

I

V

G

G

Y

P

K

R

W

W

D

D

S

A

L

Y

P

P

R

P

S

A

Q

K

R

R

P

P

E

E

T

Q

G

G

L

L

G

R

L

L

R
|
R

A

K

G

G

L

L

G

D

L

L

F

Y

A

A

N

N

L

L

R
|
R

P

P

A

A

A

Q

I

I

L

F

P

P

Q

Q

L

L

V

L

D

D

A

A

S

S

S

P

L

L

K

R

R

P

E

E

V

L

I

V

E

R

G

D

V

V

D

D

L

I

M

L

V

V

R
|
R

E

E

L

L

T

T

G

G

G

D

I

I

Y
|
Y

F

F

G

G

E

Q

P

P

K

R

G

G

C

L

F

E

A

V

D

I

E

D

Q

-

G

G

R

K

Q

R

R

R

A

G

F

F

N

N

T

T

M

M

V

V

Y

Y

R

D

E

E

D

D

E

E

I

I

D

R

R

R

I

I

G

A

R

H

V

V

A

A

F

F

D

R

I

A

A

A

R

Q

K

G

R

R

G

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

V

T

S

T

Q

R

L

L

W

W

R

R

D

E

R

V

M

V

T

T

L

E

L

V

G

A

S

R

D

D

Y

Y

A

P

D

D

V

V

E

R

L

L

S

S

H

H

L

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

K

A

Q

Q

F

F

D

D

T

V

I

L

V

L

T

T

G

G

N

N

L

M

F

F

G

G

D
|
D

I

I

L

L

S

S

D
|
D

I

E

A

A

A

S

M

Q

L

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

-

E

E

G

G

P

R

G

A

V

M

F

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

D

D

K

K

A

A

N

N

P

P

L

L

A

A

Q

T

V

I

L

L

S

S

A

V

A

A

M

M

L

L

R

R

Y

H

G

S

L

L

D

N

E

A

P

E

E

P

A

W

A

A

A

Q

R

R

I

V

E

E

A

A

V

V

N

Q

Q

R

V

V

L

L

D

D

Q

Q

G

G

Y

L

R

R

T

T

G

A

D

D

L

I

Y

A

S

A

E

P

G

G

M

T

T

P

L

V

V

I

G

G

C

T

K

K

G

A

M

M

G

G

D

A

A

A

L

V

A

N

A

A

L

L

E

N

active site: Y140 (= Y143), K190 (= K194), D222 (= D226), D246 (= D250), D250 (= D254)
binding 3-isopropylmalic acid: R95 (= R98), R105 (= R108), R133 (= R136), Y140 (= Y143), 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)
59% identity, 97% coverage: 6:360/365 of query aligns to 3:355/358 of Q56268

query
sites
Q56268

R

K

I

I

T

A

L

I

L

F

P

A

G

G

D

D

G

G

I

I

G

G

P

P

E

E

I

I

M

V

A

A

V

A

T

A

V

R

D

Q

I

V

L

L

R

D

A

A

I

V

G

D

R

Q

Q

A

F

A

D

H

L

L

N

G

F

L

E

R

F

C

E

T

E

E

A

G

L

L

I

V

G

G

S

A

A

A

I

L

D

D

A

A

T

S

G

D

E

D

P

P

L

L

P

P

E

A

A

A

T

S

L

L

A

Q

T

L

C

A

R

M

N

A

S

A

D

D

A

A

V

V

L

I

L

L

A

G

A

A

I

V

G

G

Y

P

K

R

W

W

D

D

S

A

L

Y

P

P

R

P

S

A

Q

K

R

R

P

P

E

E

T

Q

G

G

L

L

G

R

L

L

R
|
R

A

K

G

G

L

L

G

D

L

L

F

Y

A

A

N

N

L

L

R
|
R

P

P

A

A

A

Q

I

I

L

F

P

P

Q

Q

L

L

V

L

D

D

A

A

S

S

S

P

L

L

K

R

R

P

E

E

V

L

I

V

E

R

G

D

V

V

D

D

L

I

M

L

V

V

R
|
R

E

E

L

L

T

T

G

G

G

D

I

I

Y

Y

F

F

G

G

E

Q

P

P

K

R

G

G

C

L

F

E

A

V

D

I

E

D

Q

-

G

G

R

K

Q

R

R

R

A

G

F

F

N

N

T

T

M

M

V

V

Y

Y

R

D

E

E

D

D

E

E

I

I

D

R

R

R

I

I

G

A

R

H

V

V

A

A

F

F

D

R

I

A

A

A

R

Q

K

G

R

R

G

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

V

T

S

T

Q

R

L

L

W

W

R

R

D

E

R

V

M

V

T

T

L

E

L

V

G

A

S

R

D

D

Y

Y

A

P

D

D

V

V

E

R

L

L

S

S

H

H

L

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

K

A

Q

Q

F

F

D

D

T

V

I

L

V

L

T

T

G

G

N

N

L

M

F

F

G

G

D
|
D

I

I

L

L

S

S

D

D

I

E

A

A

A

S

M

Q

L

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

-

E

E

G

G

P

R

G

A

V

M

F

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

D

D

K

K

A

A

N

N

P

P

L

L

A

A

Q

T

V

I

L

L

S

S

A

V

A

A

M

M

L

L

R

R

Y

H

G

S

L

L

D

N

E

A

P

E

E

P

A

W

A

A

A

Q

R

R

I

V

E

E

A

A

V

V

N

Q

Q

R

V

V

L

L

D

D

Q

Q

G

G

Y

L

R

R

T

T

G

A

D

D

L

I

Y

A

S

A

E

P

G

G

M

T

T

P

L

V

V

I

G

G

C

T

K

K

G

A

M

M

G

G

D

A

A

A

L

V

A

N

A

A

L

L

E

N

R95 (= R98) binding substrate
R105 (= R108) binding substrate
R133 (= R136) binding substrate
D222 (= D226) binding Mg(2+); binding substrate
D246 (= D250) binding Mg(2+)

1cnzA 3-isopropylmalate dehydrogenase (ipmdh) from salmonella typhimurium (see paper)
50% identity, 97% coverage: 1:355/365 of query aligns to 1:355/363 of 1cnzA

query
sites
1cnzA

M

M

T

S

R

K

S

N

Y

Y

R

H

I

I

T

A

L

V

L

L

P

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

I

V

M

M

A

A

V

Q

T

A

V

L

D

K

I

V

L

M

R

D

A

A

I

V

G

R

R

S

Q

R

F

F

D

D

L

M

N

R

F

I

E

T

F

T

E

S

E

H

A

Y

L

D

I

V

G

G

S

I

A

A

I

I

D

D

A

N

T

H

G

G

E

H

P

P

L

L

P

P

E

K

A

A

T

T

L

V

A

E

T

G

C

C

R

E

N

Q

S

A

D

D

A

A

V

I

L

L

L

F

A

G

A

S

I

V

G

G

Y

P

K

K

W

W

D

E

S

N

L

L

P

P

R

P

S

E

Q

S

R

Q

P

P

E

E

T

R

G

G

-

A

L

L

G

P

L

L

R

R

A

K

G

H

L

F

G

K

L

L

F

F

A

S

N

N

L

L

R

R

P

P

A

A

A

K

I

L

L

Y

P

Q

Q

G

L

L

V

E

D

A

A

F

S

C

S

P

L

L

K

R

R

A

E

D

V

I

I

A

-

A

E

N

G

G

V

F

D

D

L

I

M

L

V

C

V

V

R

R

E

E

L

L

T

T

G

G

I

I

Y
|
Y

F

F

G

G

E

Q

P

P

K

K

G

G

C

R

F

E

A

G

D

S

E

G

Q

Q

G

-

R

Y

Q

E

R

K

A

A

F

F

N

D

T

T

M

E

V

V

Y

Y

R

H

E

R

D

F

E

E

I

I

D

E

R

R

I

I

G

A

R

R

V

I

A

A

F

F

D

E

I

S

A

A

R

R

K

K

R

R

G

R

K

R

R

K

L

V

C

T

S

S

V

I

D

D

K
|
K

A

A

N

N

V

V

L

L

E

Q

V

S

S

S

Q

I

L

L

W

W

R

R

D

E

R

I

M

V

T

N

L

D

L

V

G

A

S

K

D

T

Y

Y

A

P

D

D

V

V

E

E

L

L

S

A

H

H

L

M

Y

Y

V

I

D
|
D

N

N

A

A

A

T

M

M

Q

Q

L

L

V

I

R

K

W

D

P

P

K

S

Q

Q

F

F

D

D

T

V

I

L

V

L

T

C

G

S

N

N

L

L

F

F

G

G

D
|
D

I

I

L

L

S

S

D
|
D

I

E

A

C

A

A

M

M

L

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

E

Q

G

G

P

F

G

G

V

L

F

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

D

N

K

I

A

A

N

N

P

P

L

I

A

A

Q

Q

V

I

L

L

S

S

A

L

A

A

M

L

L

L

R

R

Y

Y

G

S

L

L

D

D

E

A

P

N

E

D

A

A

A

T

R

A

I

I

E

E

A

Q

A

A

V

I

N

N

Q

R

V

A

L

L

D

E

Q

E

G

G

Y

V

R

R

T

T

G

G

D

D

L

L

Y

-

S

A

E

R

G

G

M

A

T

A

L

A

V

V

G

S

C

T

K

D

G

E

M

M

G

G

D

D

A

I

L

I

active site: Y145 (= Y143), K195 (= K194), 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, 97% coverage: 1:355/365 of query aligns to 1:355/363 of P37412

query
sites
P37412

M

M

T

S

R

K

S

N

Y

Y

R

H

I

I

T

A

L

V

L

L

P

P

G

G

D

D

G

G

I

I

G

G

P

P

E

E

I

V

M

M

A

A

V

Q

T

A

V

L

D

K

I

V

L

M

R

D

A

A

I

V

G

R

R

S

Q

R

F

F

D

D

L

M

N

R

F

I

E

T

F

T

E

S

E

H

A

Y

L

D

I

V

G

G

S

I

A

A

I

I

D

D

A

N

T

H

G

G

E

H

P

P

L

L

P

P

E

K

A

A

T

T

L

V

A

E

T

G

C

C

R

E

N

Q

S

A

D

D

A

A

V

I

L

L

L

F

A

G

A

S

I

V

G

G

Y

P

K

K

W

W

D

E

S

N

L

L

P

P

R

P

S

E

Q

S

R

Q

P

P

E

E

T

R

G

G

-

A

L

L

G

P

L

L

R

R

A

K

G

H

L

F

G

K

L

L

F

F

A

S

N

N

L

L

R

R

P

P

A

A

A

K

I

L

L

Y

P

Q

Q

G

L

L

V

E

D

A

A

F

S

C

S

P

L

L

K

R

R

A

E

D

V

I

I

A

-

A

E

N

G

G

V

F

D

D

L

I

M

L

V

C

V

V

R

R

E

E

L

L

T

T

G

G

I

I

Y

Y

F

F

G

G

E

Q

P

P

K

K

G

G

C

R

F

E

A

G

D

S

E

G

Q

Q

G

-

R

Y

Q

E

R

K

A

A

F

F

N

D

T

T

M

E

V

V

Y

Y

R

H

E

R

D

F

E

E

I

I

D

E

R

R

I

I

G

A

R

R

V

I

A

A

F

F

D

E

I

S

A

A

R

R

K

K

R

R

G

R

K

R

R

K

L

V

C

T

S

S

V

I

D

D

K

K

A

A

N

N

V

V

L

L

E

Q

V

S

S

S

Q

I

L

L

W

W

R

R

D

E

R

I

M

V

T

N

L

D

L

V

G

A

S

K

D

T

Y

Y

A

P

D

D

V

V

E

E

L

L

S

A

H

H

L

M

Y

Y

V

I

D
|
D

N

N

A

A

A

T

M

M

Q

Q

L

L

V

I

R

K

W

D

P

P

K

S

Q

Q

F

F

D

D

T

V

I

L

V

L

T

C

G

S

N

N

L

L

F

F

G

G

D
|
D

I

I

L

L

S

S

D
|
D

I

E

A

C

A

A

M

M

L

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

E

Q

G

G

P

F

G

G

V

L

F

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

D

N

K

I

A

A

N

N

P

P

L

I

A

A

Q

Q

V

I

L

L

S

S

A

L

A

A

M

L

L

L

R

R

Y

Y

G

S

L

L

D

D

E

A

P

N

E

D

A

A

A

T

R

A

I

I

E

E

A

Q

A

A

V

I

N

N

Q

R

V

A

L

L

D

E

Q

E

G

G

Y

V

R

R

T

T

G

G

D

D

L

L

Y

-

S

A

E

R

G

G

M

A

T

A

L

A

V

V

G

S

C

T

K

D

G

E

M

M

G

G

D

D

A

I

L

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)
51% identity, 98% coverage: 3:359/365 of query aligns to 2:358/358 of 6xxyA

query
sites
6xxyA

R

E

S

S

Y

Y

R

N

I

I

T

A

L

V

L

L

P

A

G

G

D

D

G

G

I

I

G

G

P

P

E

E

I

V

M

M

A

A

V

E

T

A

V

I

D

K

I

V

L

L

R

N

A

R

I

V

G

Q

R

E

Q

K

F

F

D

G

L

F

N

K

F

L

E

N

F

F

E

N

E

E

A

F

L

F

I

V

G

G

S

A

A

A

I

I

D

E

A

H

T

C

G

G

E

Y

P

P

L

L

P

P

E

A

A

E

T

T

L

L

A

K

T

G

C

C

R

D

N

Q

S

A

D

D

A

A

V

I

L

L

L

F

A

G

A
x
S

I
x
V

G
|
G

G

G

Y

P

K

K

W

W

D

T

S

N

L

L

P

P

R

P

S

D

Q

Q

R

Q

P

P

E
|
E

T

R

G

G

-

A

L
|
L

L

L

G

P

L

L

R

R

A

K

G

H

L

F

G

K

L

L

F

F

A

C

N

N

L

L

R
|
R

P

P

A

A

A

T

I

L

L

Y

P

K

Q

G

L

L

V

E

D

K

A

F

S

C

S

P

L

L

K

R

R

A

E

D

V

I

I

A

-

A

E

K

G

G

V

F

D

D

L

M

M

V

V

V

R
|
R

E

E

L

L

T

T

G

G

I

I

Y
|
Y

F

F

G

G

E

Q

P

P

K

K

G

G

C

R

F

E

A

G

D

D

E

-

Q

-

G

G

R

V

Q

Q

-

T

R

K

A

A

F

F

N

D

T

T

M

E

V

V

Y

Y

R

Y

E

K

D

Y

E

E

I

I

D

E

R

R

I

I

G

A

R

R

V

A

A

A

F

F

D

E

I

A

A

A

R

M

K

K

R

R

G

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

V

S

S

S

Q

I

L

L

W

W

R

R

D

E

R

T

M

V

T

T

L

E

L

M

G

A

S

K

D

D

Y

Y

A

P

D

E

V

V

E

T

L

L

S

E

H

H

L

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

K

E

Q

S

F

F

D

D

T

V

I

L

V

L

T

C

G

S

N

N

L

I

F

F

G

G

D
|
D

I

I

L

I

S

S

D
|
D

I

E

A

A

M

M

L

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

E

E

G

G

P

F

G

G

V

L

F

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

D

G

K

I

A

A

N
|
N

P

P

L

I

A

A

Q

Q

V

I

L

L

S

S

A

A

M

M

L

L

R

R

Y

Y

G

S

L

F

D

N

E

L

P

N

E

E

A

A

A

D

R

A

I

I

E

E

A

S

A

A

V

V

N

Q

Q

K

V

V

L

L

D

A

Q

S

G

G

Y

H

R

R

T

T

G

A

D
|
D

L

L

Y

-

S

A

E

D

G

D

M

S

T

T

L

P

V

V

G

S

C

T

K

A

G

E

M

M

G

G

D

T

A

L

L

I

L

T

A

Q

A

A

L

I

active site: Y144 (= Y143), K194 (= K194), D226 (= D226), D250 (= D250)
binding magnesium ion: D250 (= D250), D254 (= D254)
binding nicotinamide-adenine-dinucleotide: S74 (≠ A75), V75 (≠ I76), G76 (= G77), E90 (= E91), L94 (= L94), Y224 (= Y224), N227 (= N227), M230 (= M230), M263 (≠ I263), G264 (= G264), E280 (= E280), G283 (≠ H283), G284 (= G284), S285 (= S285), A286 (= A286), P287 (= P287), D288 (= D288), I289 (= I289), N296 (= N296), D337 (= D337)
binding 2-(2-methylprop-2-enoxyamino)-2-oxidanylidene-ethanoic acid: E90 (= E91), R108 (= R108), R137 (= R136), K194 (= K194), V197 (= V197), D226 (= D226), D250 (= D250)

3vkzA 3-isopropylmalate dehydrogenase from shewanella oneidensis mr-1 at atmospheric pressure (see paper)
54% identity, 92% coverage: 4:340/365 of query aligns to 2:339/364 of 3vkzA

query
sites
3vkzA

S

S

Y

Y

R

Q

I

I

T

A

L

V

L

L

P

A

G

G

D

D

G

G

I

I

G

G

P

P

E

E

I

V

M

M

A

A

V

E

T

A

V

R

D

K

I

V

L

L

R

K

A

A

I

V

G

E

R

A

Q

R

F

F

D

G

L

L

N

N

F

I

E

E

F

Y

E

T

E

E

A

Y

L

D

I

V

G

G

S

I

A

A

I

I

D

D

A

N

T

H

G

G

E

C

P

P

L

L

P

P

E

E

A

A

T

T

L

L

A

K

T

G

C

C

R

E

N

A

S

A

D

D

A

A

V

I

L

L

L

F

A

G

A

S

I

V

G

G

Y

P

K

K

W

W

D

E

S

K

L

L

P

P

R

P

S

N

Q

E

R

Q

P

P

E

E

T

R

G

G

-

A

L

L

G

P

L

L

R
|
R

A

G

G

H

L

F

G

E

L

L

F

F

A

C

N

N

L

L

R

R

P

P

A

A

A

K

I

L

L

H

P

D

Q

G

L

L

V

E

D

H

A

M

S

S

S

P

L

L

K

R

R

S

E

D

V

I

-

S

I

A

E

R

G

G

V

F

D

D

L

V

M

L

V

C

V

V

R
|
R

E

E

L

L

T

T

G

G

I

I

Y
|
Y

F

F

G

G

E

K

P

P

K

K

G

G

C

-

F

R

A

Q

D

G

E

E

Q

G

G

E

R

S

Q

E

R

E

A

A