SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 209413 MicrobesOnline__882:209413 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)

Q02NB5 Isocitrate dehydrogenase [NADP]; IDH; IDP; NADP(+)-specific ICDH; Oxalosuccinate decarboxylase; EC 1.1.1.42 from Pseudomonas aeruginosa (strain UCBPP-PA14) (see 2 papers)
56% identity, 98% coverage: 7:380/380 of query aligns to 33:418/418 of Q02NB5

query
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Q02NB5

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S115 (= S87) modified: Phosphoserine
T193 (≠ D162) modified: Phosphothreonine

2d4vA Crystal structure of NAD dependent isocitrate dehydrogenase from acidithiobacillus thiooxidans (see paper)
54% identity, 98% coverage: 2:372/380 of query aligns to 24:419/427 of 2d4vA

query
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2d4vA

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active site: Y158 (= Y134), K228 (= K201), D294 (= D247), D318 (= D271), D322 (= D275)
binding citrate anion: T103 (= T79), S111 (= S87), N113 (= N89), R117 (= R93), R127 (= R103), R151 (= R127), Y158 (= Y134), K228 (= K201), I231 (= I204), D318 (= D271)
binding nicotinamide-adenine-dinucleotide: I35 (= I13), P100 (= P76), L101 (= L77), E102 (≠ G78), T103 (= T79), N113 (= N89), N230 (= N203), I292 (= I245), N295 (≠ A248), I331 (≠ L284), E347 (= E300), T349 (= T302), H350 (= H303), G351 (= G304), T352 (= T305), A353 (= A306), D355 (≠ T308), A362 (= A315), N363 (= N316), D403 (= D356)

1isoA Isocitrate dehydrogenase: structure of an engineered NADP+--> NAD+ specificity-reversal mutant (see paper)
54% identity, 98% coverage: 7:380/380 of query aligns to 29:414/414 of 1isoA

query
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1isoA

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active site: Y158 (= Y134), K228 (= K201), D281 (= D247), D305 (= D271), D309 (= D275)
binding nicotinamide-adenine-dinucleotide: I35 (= I13), H337 (= H303), G338 (= G304), A340 (= A306), D342 (≠ T308), A349 (= A315), N350 (= N316)

6c0eA Crystal structure of isocitrate dehydrogenase from legionella pneumophila with bound NADPH with an alpha-ketoglutarate adduct
54% identity, 97% coverage: 7:374/380 of query aligns to 34:413/419 of 6c0eA

query
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6c0eA

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K

A

Y

E

V

L

V

A

S

I

I

K

K

G

G

P
|
P

L
|
L

G

T

T
|
T

P

P

V

V

G

G

K

G

G

G

F

I

R

R

S
|
S

L

L

N
|
N

V

V

T

A

M

I

R
|
R

Q

Q

T

D

L

M

D

D

L

L

Y

Y

A

V

C

C

I

L

R
|
R

P

P

I

I

R

R

Y

Y

F

F

D

N

G

G

I

V

M

P

S

S

P

P

V

V

K

R

R

E

P

P

D

W

L

K

V

T

D

D

M

M

V

V

V

I

F

F

R
|
R

E

E

N

N

T

S

E

E

D

D

V

I

Y
|
Y

A

A

G

G

I

I

E

E

Y

W

R

Q

A

A

G

D

T

T

P

P

E

E

A

A

K

K

R

K

L

V

I

I

A

Q

F

F

L

L

R

T

D

K

E

E

L

M

G

G

A

V

K

K

-

K

-

I

-

R

V

F

D

P

I

E

E

H

A

C

A

G

V

I

G

G

I

V

K

K

P

P

M

V

T

S

E

R

K

E

G

G

S

T

K

T

R

R

L

L

V

V

R

K

R

A

A

A

L

I

R

Q

F

Y

A

A

I

I

D

D

Q

N

K

D

R

R

P

S

N

T

L

V

T

T

L

L

V

V

H

H

K
|
K

G

G

N
|
N

I

I

M

M

K

K

F

F

T

T

E

E

G

G

G

A

F

F

R

K

E

D

W

W

G

G

Y

Y

E

Q

V

V

A

A

R

R

D

D

E

S

F

F

A

G

D

-

L

-

T

-

T

A

T

K

E

E

T

Y

E

Q

G

G

-

G

-

P

-

W

-

M

-

E

-

F

-

K

-

N

-

P

-

K

T

T

A

G

G

K

R

Q

L

I

V

I

K

N

D

D

R

V

I
|
I

A

A

D
|
D

A

A

M

F

F

L

Q

Q

E
x
Q

V

I

L

L

I

L

R
|
R

P

P

Q

E

Q

D

Y

Y

S

S

V

V

I

I

A

A

T

T

S

L

N

N

L

L

N

N

G

G

D
|
D

Y

Y

I

I

S

S

D

D

A

A

L

L

A

A

Q

Q

V

V

G

G

L
x
I

G

G

L

I

A

A

P

P

G

G

V

A

N

N

M

I

S

S

D

D

S

Q

L

M

A

A

F

V

F

F

E
|
E

A

A

T

T

H
|
H

G
|
G

T
|
T

A
|
A

P

P

T
x
K

I
x
Y

A

A

G

G

Q

Q

D

N

K

K

A
x
V

N
|
N

P

P

G

G

S

S

L

I

I

I

L

L

C

S

G

A

A

E

L

M

M

M

L

L

E

R

H

H

M

M

G

G

W

W

N

Y

E

E

A

A

E

D

R

L

I

I

Y

I

K

R

A

G

V

M

N

E

E

G

A

A

I

I

A

E

S

A

R

K

R

T

V

V

T

T

V
x
Y

D
|
D

L

F

A

E

T

R

Q

G

M

M

E

Q

N

G

A

A

T

T

T

L

V

V

G

S

T

S

V

S

A

G

F

F

G

A

D

D

active site: Y163 (= Y134), K233 (= K201), D286 (= D247), D310 (= D271)
binding (3~{S})-3-[(4~{S})-3-aminocarbonyl-1-[(2~{R},3~{R},4~{S},5~{R})-5-[[[[(2~{R},3~{R},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3-oxidanyl-4-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-3,4-bis(oxidanyl)oxolan-2-yl]-4~{H}-pyridin-4-yl]-2-oxidanylidene-pentanedioic acid: P105 (= P76), L106 (= L77), T108 (= T79), S116 (= S87), N118 (= N89), R122 (= R93), R132 (= R103), R156 (= R127), N235 (= N203), I284 (= I245), Q291 (≠ E252), R295 (= R256), D310 (= D271), I323 (≠ L284), E339 (= E300), H342 (= H303), G343 (= G304), T344 (= T305), A345 (= A306), K347 (≠ T308), Y348 (≠ I309), V354 (≠ A315), N355 (= N316), Y394 (≠ V355), D395 (= D356)

Sites not aligning to the query:

binding glycine: 23, 24, 25

1bl5A Isocitrate dehydrogenase from e. Coli single turnover laue structure of rate-limited product complex, 10 msec time resolution (see paper)
53% identity, 98% coverage: 7:380/380 of query aligns to 29:414/414 of 1bl5A

query
sites
1bl5A

W

Y

I

I

E

E

G

G

D

D

G

G

I

I

G

G

P

V

E

D

V

V

W

T

K

P

A

A

A

M

R

L

P

K

V

V

I

V

D

D

A

A

V

V

E

E

K

K

S

A

Y

Y

G

K

D

G

S

E

R

R

S

K

I

I

E

S

W

W

K

M

E

E

L

I

L

Y

A

T

G

G

E

E

K

K

A

S

H

T

R

Q

E

V

T

Y

G

G

E

Q

-

D

-

V

Y

W

L

L

P

P

Q

A

S

E

T

T

L

L

D

D

T

L

L

I

A

R

T

E

A

Y

E

R

L

V

A

A

I

I

K

K

G

G

P

P

L

L

G

T

T

T

P

P

V

V

G

G

K

G

G

G

F

I

R

R

S
|
S

L

L

N
|
N

V

V

T

A

M

L

R
|
R

Q

Q

T

E

L

L

D

D

L

L

Y

Y

A

I

C

C

I

L

R
|
R

P

P

I

V

R

R

Y

Y

F

Y

D

Q

G

G

I

T

M

P

S

S

P

P

V

V

K

K

R

H

P

P

D

E

L

L

V

T

D

D

M

M

V

V

V

I

F

F

R

R

E

E

N

N

T

S

E

E

D

D

V

I

Y
|
Y

A

A

G

G

I

I

E

E

Y

W

R

K

A

A

G

D

T

S

P

A

E

D

A

A

K

E

R

K

L

V

I

I

A

K

F

F

L

L

R

R

D

E

E

E

L

M

G

G

A

V

K

K

-

K

-

I

-

R

V

F

D

P

I

E

E

H

A

C

A

G

V

I

G

G

I

I

K

K

P

P

M

C

T

S

E

E

K

E

G

G

S

T

K

K

R

R

L

L

V

V

R

R

R

A

A

A

L

I

R

E

F

Y

A

A

I

I

D

A

Q

N

K

D

R

R

P

D

N

S

L

V

T

T

L

L

V

V

H

H

K
|
K

G

G

N

N

I

I

M

M

K

K

F

F

T

T

E

E

G

G

G

A

F

F

R

K

E

D

W

W

G

G

Y

Y

E

Q

V

L

A

A

R

R

D

E

E

E

F

F

A

G

-

G

-

E

-

L

-

I

-

D

-

G

D

P

L

W

T

L

T

K

T

V

E

K

T

N

E

P

G

N

T

T

A

G

G

K

R

E

L

I

V

V

V

I

K

K

D

D

R

V

I

I

A

A

D
|
D

A

A

M

F

F

L

Q

Q

E

Q

V

I

L

L

I

L

R

R

P

P

Q

A

Q

E

Y

Y

S

D

V

V

I

I

A

A

T

C

S

M

N

N

L

L

N

N

G

G

D
|
D

Y

Y

I

I

S

S

D
|
D

A

A

L

L

A

A

Q

Q

V

V

G

G

L

I

G

G

L

I

A

A

P

P

G

G

V

A

N

N

M

I

S

G

D

D

S

E

L

C

A

A

F

L

F

F

E

E

A

A

T

T

H
|
H

G
|
G

T

T

A
|
A

P

P

T

K

I
x
Y

A

A

G

G

Q

Q

D

D

K

K

A

V

N
|
N

P

P

G

G

S

S

L

I

I

I

L

L

C

S

G

A

A

E

L

M

M

M

L

L

E

R

H

H

M

M

G

G

W

W

N

T

E

E

A

A

E

D

R

L

I

I

Y

V

K

K

A

G

V

M

N

E

E

G

A

A

I

I

A

N

S

A

R

K

R

T

V

V

T

T

V
x
Y

D

D

L

F

A

E

T

R

Q

L

M

M

E

D

N

G

A

A

T

K

T

L

V

L

G

K

T

C

V

S

A

E

F

F

G

G

D

D

I

A

V

I

T

I

A

E

G

N

L

M

active site: Y158 (= Y134), K228 (= K201), D281 (= D247), D305 (= D271), D309 (= D275)
binding 2-oxoglutaric acid: S111 (= S87), N113 (= N89), R117 (= R93), R127 (= R103)
binding nadp nicotinamide-adenine-dinucleotide phosphate: H337 (= H303), G338 (= G304), A340 (= A306), Y343 (≠ I309), N350 (= N316), Y389 (≠ V355)

1ai3A Orbital steering in the catalytic power of enzymes: small structural changes with large catalytic consequences (see paper)
53% identity, 98% coverage: 7:380/380 of query aligns to 29:414/414 of 1ai3A

query
sites
1ai3A

W

Y

I

I

E

E

G

G

D

D

G

G

I
|
I

G

G

P

V

E

D

V

V

W

T

K

P

A

A

A

M

R

L

P

K

V

V

I

V

D

D

A

A

V

V

E

E

K

K

S

A

Y

Y

G

K

D

G

S

E

R

R

S

K

I

I

E

S

W

W

K

M

E

E

L

I

L

Y

A

T

G

G

E

E

K

K

A

S

H

T

R

Q

E

V

T

Y

G

G

E

Q

-

D

-

V

Y

W

L

L

P

P

Q

A

S

E

T

T

L

L

D

D

T

L

L

I

A

R

T

E

A

Y

E

R

L

V

A

A

I

I

K

K

G
|
G

P
|
P

L
|
L

G
x
T

T

T

P

P

V

V

G

G

K

G

G

G

F

I

R

R

S

S

L

L

N

N

V

V

T

A

M

L

R

R

Q

Q

T

E

L

L

D

D

L

L

Y

Y

A

I

C

C

I

L

R

R

P

P

I

V

R

R

Y

Y

F

Y

D

Q

G

G

I

T

M

P

S

S

P

P

V

V

K

K

R

H

P

P

D

E

L

L

V

T

D

D

M

M

V

V

V

I

F

F

R

R

E

E

N

N

T

S

E

E

D

D

V

I

Y
|
Y

A

A

G

G

I

I

E

E

Y

W

R

K

A

A

G

D

T

S

P

A

E

D

A

A

K

E

R

K

L

V

I

I

A

K

F

F

L

L

R

R

D

E

E

E

L

M

G

G

A

V

K

K

-

K

-

I

-

R

V

F

D

P

I

E

E

H

A

C

A

G

V

I

G

G

I

I

K

K

P

P

M

C

T

S

E

E

K

E

G

G

S

T

K

K

R

R

L

L

V

V

R

R

R

A

A

A

L

I

R

E

F

Y

A

A

I

I

D

A

Q

N

K

D

R

R

P

D

N

S

L

V

T

T

L

L

V

V

H

H

K
|
K

G

G

N

N

I

I

M

M

K

K

F

F

T

T

E

E

G

G

G

A

F

F

R

K

E

D

W

W

G

G

Y

Y

E

Q

V

L

A

A

R

R

D

E

E

E

F

F

A

G

-

G

-

E

-

L

-

I

-

D

-

G

D

P

L

W

T

L

T

K

T

V

E

K

T

N

E

P

G

N

T

T

A

G

G

K

R

E

L

I

V

V

V

I

K

K

D

D

R

V

I

I

A

A

D
|
D

A

A

M

F

F

L

Q

Q

E

Q

V

I

L

L

I

L

R

R

P

P

Q

A

Q

E

Y

Y

S

D

V

V

I

I

A

A

T

C

S

M

N

N

L

L

N

N

G

G

D
|
D

Y

Y

I

I

S

S

D
|
D

A

A

L

L

A

A

Q

Q

V

V

G

G

L

I

G

G

L

I

A

A

P

P

G

G

V

A

N

N

M

I

S

G

D

D

S

E

L

C

A

A

F

L

F

F

E

E

A
|
A

T
|
T

H
|
H

G
|
G

T
|
T

A

A

P
|
P

T

K

I

Y

A

A

G

G

Q

Q

D

D

K

K

A
x
V

N
|
N

P

P

G

G

S

S

L

I

I

I

L

L

C

S

G

A

A

E

L

M

M

M

L

L

E

R

H

H

M

M

G

G

W

W

N

T

E

E

A

A

E

D

R

L

I

I

Y

V

K

K

A

G

V

M

N

E

E

G

A

A

I

I

A

N

S

A

R

K

R

T

V

V

T

T

V
x
Y

D
|
D

L

F

A

E

T
x
R

Q

L

M

M

E

D

N

G

A

A

T

K

T

L

V

L

G

K

T

C

V

S

A

E

F

F

G

G

D

D

I

A

V

I

T

I

A

E

G

N

L

M

active site: Y158 (= Y134), K228 (= K201), D281 (= D247), D305 (= D271), D309 (= D275)
binding nicotinamide-(6-deamino-6-hydroxy-adenine)-dinucleotide phosphate: I35 (= I13), G99 (= G75), P100 (= P76), L101 (= L77), T102 (≠ G78), A335 (= A301), T336 (= T302), H337 (= H303), G338 (= G304), T339 (= T305), P341 (= P307), V349 (≠ A315), N350 (= N316), Y389 (≠ V355), D390 (= D356), R393 (≠ T359)

1ai2A Isocitrate dehydrogenase complexed with isocitrate, NADP+, and calcium (flash-cooled) (see paper)
53% identity, 98% coverage: 7:380/380 of query aligns to 29:414/414 of 1ai2A

query
sites
1ai2A

W

Y

I

I

E

E

G

G

D

D

G

G

I
|
I

G

G

P

V

E

D

V

V

W

T

K

P

A

A

A

M

R

L

P

K

V

V

I

V

D

D

A

A

V

V

E

E

K

K

S

A

Y

Y

G

K

D

G

S

E

R

R

S

K

I

I

E

S

W

W

K

M

E

E

L

I

L

Y

A

T

G

G

E

E

K

K

A

S

H

T

R

Q

E

V

T

Y

G

G

E

Q

-

D

-

V

Y

W

L

L

P

P

Q

A

S

E

T

T

L

L

D

D

T

L

L

I

A

R

T

E

A

Y

E

R

L

V

A

A

I

I

K

K

G

G

P

P

L
|
L

G
x
T

T

T

P

P

V

V

G

G

K

G

G

G

F

I

R

R

S
|
S

L

L

N
|
N

V

V

T

A

M

L

R
|
R

Q

Q

T

E

L

L

D

D

L

L

Y

Y

A

I

C

C

I

L

R
|
R

P

P

I

V

R

R

Y

Y

F

Y

D

Q

G

G

I

T

M

P

S

S

P

P

V

V

K

K

R

H

P

P

D

E

L

L

V

T

D

D

M

M

V

V

V

I

F

F

R

R

E

E

N

N

T

S

E

E

D

D

V

I

Y
|
Y

A

A

G

G

I

I

E

E

Y

W

R

K

A

A

G

D

T

S

P

A

E

D

A

A

K

E

R

K

L

V

I

I

A

K

F

F

L

L

R

R

D

E

E

E

L

M

G

G

A

V

K

K

-

K

-

I

-

R

V

F

D

P

I

E

E

H

A

C

A

G

V

I

G

G

I

I

K

K

P

P

M

C

T

S

E

E

K

E

G

G

S

T

K

K

R

R

L

L

V

V

R

R

R

A

A

A

L

I

R

E

F

Y

A

A

I

I

D

A

Q

N

K

D

R

R

P

D

N

S

L

V

T

T

L

L

V

V

H

H

K
|
K

G

G

N

N

I

I

M

M

K

K

F

F

T

T

E

E

G

G

G

A

F

F

R

K

E

D

W

W

G

G

Y

Y

E

Q

V

L

A

A

R

R

D

E

E

E

F

F

A

G

-

G

-

E

-

L

-

I

-

D

-

G

D

P

L

W

T

L

T

K

T

V

E

K

T

N

E

P

G

N

T

T

A

G

G

K

R

E

L

I

V

V

V

I

K

K

D

D

R

V

I

I

A

A

D
|
D

A

A

M

F

F

L

Q

Q

E

Q

V

I

L

L

I

L

R

R

P

P

Q

A

Q

E

Y

Y

S

D

V

V

I

I

A

A

T

C

S

M

N

N

L

L

N

N

G

G

D
|
D

Y

Y

I

I

S

S

D
|
D

A

A

L

L

A

A

Q

Q

V

V

G

G

L

I

G

G

L

I

A

A

P

P

G

G

V

A

N

N

M

I

S

G

D

D

S

E

L

C

A

A

F

L

F

F

E

E

A

A

T
|
T

H
|
H

G
|
G

T
|
T

A
|
A

P
|
P

T

K

I
x
Y

A

A

G

G

Q

Q

D

D

K

K

A
x
V

N
|
N

P

P

G

G

S

S

L

I

I

I

L

L

C

S

G

A

A

E

L

M

M

M

L

L

E

R

H

H

M

M

G

G

W

W

N

T

E

E

A

A

E

D

R

L

I

I

Y

V

K

K

A

G

V

M

N

E

E

G

A

A

I

I

A

N

S

A

R

K

R

T

V

V

T

T

V
x
Y

D
|
D

L

F

A

E

T
x
R

Q

L

M

M

E

D

N

G

A

A

T

K

T

L

V

L

G

K

T

C

V

S

A

E

F

F

G

G

D

D

I

A

V

I

T

I

A

E

G

N

L

M

active site: Y158 (= Y134), K228 (= K201), D281 (= D247), D305 (= D271), D309 (= D275)
binding isocitrate calcium complex: S111 (= S87), N113 (= N89), R117 (= R93), R127 (= R103), Y158 (= Y134), D305 (= D271), D309 (= D275)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I35 (= I13), L101 (= L77), T102 (≠ G78), T336 (= T302), H337 (= H303), G338 (= G304), T339 (= T305), A340 (= A306), P341 (= P307), Y343 (≠ I309), V349 (≠ A315), N350 (= N316), Y389 (≠ V355), D390 (= D356), R393 (≠ T359)

4aj3A 3d structure of e. Coli isocitrate dehydrogenase in complex with isocitrate, calcium(ii) and NADP - the pseudo-michaelis complex (see paper)
53% identity, 98% coverage: 7:380/380 of query aligns to 31:416/416 of 4aj3A

query
sites
4aj3A

W

Y

I

I

E

E

G

G

D

D

G

G

I

I

G

G

P

V

E

D

V

V

W

T

K

P

A

A

A

M

R

L

P

K

V

V

I

V

D

D

A

A

V

V

E

E

K

K

S

A

Y

Y

G

K

D

G

S

E

R

R

S

K

I

I

E

S

W

W

K

M

E

E

L

I

L

Y

A

T

G

G

E

E

K

K

A

S

H

T

R

Q

E

V

T

Y

G

G

E

Q

-

D

-

V

Y

W

L

L

P

P

Q

A

S

E

T

T

L

L

D

D

T

L

L

I

A

R

T

E

A

Y

E

R

L

V

A

A

I

I

K

K

G

G

P
|
P

L
|
L

G

T

T
|
T

P

P

V

V

G

G

K

G

G

G

F

I

R

R

S

S

L

L

N
|
N

V

V

T

A

M

L

R

R

Q

Q

T

E

L

L

D

D

L

L

Y

Y

A

I

C

C

I

L

R

R

P

P

I

V

R

R

Y

Y

F

Y

D

Q

G

G

I

T

M

P

S

S

P

P

V

V

K

K

R

H

P

P

D

E

L

L

V

T

D

D

M

M

V

V

V

I

F

F

R

R

E

E

N

N

T

S

E

E

D

D

V

I

Y
|
Y

A

A

G

G

I

I

E

E

Y

W

R

K

A

A

G

D

T

S

P

A

E

D

A

A

K

E

R

K

L

V

I

I

A

K

F

F

L

L

R

R

D

E

E

E

L

M

G

G

A

V

K

K

-

K

-

I

-

R

V

F

D

P

I

E

E

H

A

C

A

G

V

I

G

G

I

I

K

K

P

P

M

C

T

S

E

E

K

E

G

G

S

T

K

K

R

R

L

L

V

V

R

R

R

A

A

A

L

I

R

E

F

Y

A

A

I

I

D

A

Q

N

K

D

R

R

P

D

N

S

L

V

T

T

L

L

V

V

H

H

K
|
K

G

G

N

N

I

I

M

M

K

K

F

F

T

T

E

E

G

G

G

A

F

F

R

K

E

D

W

W

G

G

Y

Y

E

Q

V

L

A

A

R

R

D

E

E

E

F

F

A

G

-

G

-

E

-

L

-

I

-

D

-

G

D

P

L

W

T

L

T

K

T

V

E

K

T

N

E

P

G

N

T

T

A

G

G

K

R

E

L

I

V

V

V

I

K

K

D

D

R

V

I

I

A

A

D
|
D

A

A

M

F

F

L

Q

Q

E

Q

V

I

L

L

I

L

R

R

P

P

Q

A

Q

E

Y

Y

S

D

V

V

I

I

A

A

T

C

S

M

N

N

L

L

N

N

G

G

D
|
D

Y

Y

I

I

S

S

D
|
D

A

A

L

L

A

A

Q

Q

V

V

G

G

L
x
I

G

G

L

I

A

A

P

P

G

G

V

A

N

N

M

I

S

G

D

D

S

E

L

C

A

A

F

L

F

F

E
|
E

A

A

T

T

H
|
H

G
|
G

T
|
T

A
|
A

P

P

T

K

I
x
Y

A

A

G

G

Q

Q

D

D

K

K

A
x
V

N
|
N

P

P

G

G

S

S

L

I

I

I

L

L

C

S

G

A

A

E

L

M

M

M

L

L

E

R

H

H

M

M

G

G

W

W

N

T

E

E

A

A

E

D

R

L

I

I

Y

V

K

K

A

G

V

M

N

E

E

G

A

A

I

I

A

N

S

A

R

K

R

T

V

V

T

T

V
x
Y

D
|
D

L

F

A

E

T

R

Q

L

M

M

E

D

N

G

A

A

T

K

T

L

V

L

G

K

T

C

V

S

A

E

F

F

G

G

D

D

I

A

V

I

T

I

A

E

G

N

L

M

active site: Y160 (= Y134), K230 (= K201), D283 (= D247), D307 (= D271), D311 (= D275)
binding calcium ion: D307 (= D271), D311 (= D275)
binding nadp nicotinamide-adenine-dinucleotide phosphate: P102 (= P76), L103 (= L77), T105 (= T79), N115 (= N89), I320 (≠ L284), E336 (= E300), H339 (= H303), G340 (= G304), T341 (= T305), A342 (= A306), Y345 (≠ I309), V351 (≠ A315), N352 (= N316), Y391 (≠ V355), D392 (= D356)

P08200 Isocitrate dehydrogenase [NADP]; IDH; IDP; NADP(+)-specific ICDH; Oxalosuccinate decarboxylase; EC 1.1.1.42 from Escherichia coli (strain K12) (see 9 papers)
53% identity, 98% coverage: 7:380/380 of query aligns to 31:416/416 of P08200

query
sites
P08200

W

Y

I

I

E

E

G

G

D

D

G

G

I

I

G

G

P

V

E

D

V

V

W

T

K

P

A

A

A

M

R

L

P

K

V

V

I

V

D

D

A

A

V

V

E

E

K

K

S

A

Y

Y

G

K

D

G

S

E

R

R

S

K

I

I

E

S

W

W

K

M

E

E

L

I

L

Y

A

T

G

G

E

E

K

K

A

S

H

T

R

Q

E

V

T

Y

G

G

E

Q

-

D

-

V

Y

W

L

L

P

P

Q

A

S

E

T

T

L

L

D

D

T

L

L

I

A

R

T

E

A

Y

E

R

L

V

A

A

I

I

K
|
K

G

G

P

P

L

L

G
x
T

T

T

P

P

V

V

G

G

K

G

G

G

F

I

R

R

S
|
S

L

L

N
|
N

V

V

T

A

M

L

R
|
R

Q

Q

T

E

L

L

D

D

L

L

Y

Y

A

I

C

C

I

L

R
|
R

P

P

I

V

R

R

Y

Y

F

Y

D

Q

G

G

I

T

M

P

S

S

P

P

V

V

K
|
K

R

H

P

P

D

E

L

L

V

T

D

D

M

M

V

V

V

I

F

F

R
|
R

E

E

N

N

T

S

E

E

D

D

V

I

Y
|
Y

A

A

G

G

I

I

E

E

Y

W

R

K

A

A

G

D

T

S

P

A

E

D

A

A

K

E

R

K

L

V

I

I

A

K

F

F

L

L

R

R

D

E

E

E

L

M

G

G

A

V

K

K

-

K

-

I

-

R

V

F

D

P

I

E

E

H

A

C

A

G

V

I

G

G

I

I

K

K

P

P

M

C

T

S

E

E

K

E

G

G

S

T

K

K

R

R

L

L

V

V

R

R

R

A

A

A

L

I

R

E

F

Y

A

A

I

I

D

A

Q

N

K

D

R

R

P

D

N

S

L

V

T

T

L

L

V

V

H

H

K
|
K

G

G

N

N

I

I

M

M

K

K

F

F

T

T

E

E

G

G

G

A

F

F

R
x
K

E

D

W

W

G

G

Y

Y

E

Q

V

L

A

A

R

R

D

E

E

E

F

F

A

G

-

G

-

E

-

L

-

I

-

D

-

G

D

P

L

W

T

L

T

K

T

V

E

K

T

N

E

P

G

N

T

T

A

G

G

K

R

E

L

I

V

V

V

I

K

K

D

D

R

V

I

I

A

A

D

D

A

A

M

F

F

L

Q

Q

E

Q

V

I

L

L

I

L

R

R

P

P

Q

A

Q

E

Y

Y

S

D

V

V

I

I

A

A

T

C

S

M

N

N

L

L

N

N

G

G

D
|
D

Y

Y

I

I

S

S

D

D

A

A

L

L

A

A

Q

Q

V

V

G

G

L

I

G

G

L

I

A

A

P

P

G

G

V

A

N

N

M

I

S

G

D

D

S

E

L

C

A

A

F

L

F

F

E

E

A

A

T

T

H
|
H

G
|
G

T
|
T

A
|
A

P
|
P

T
x
K

I
x
Y

A

A

G

G

Q

Q

D

D

K

K

A

V

N
|
N

P

P

G

G

S

S

L

I

I

I

L

L

C

S

G

A

A

E

L

M

M

M

L

L

E

R

H

H

M

M

G

G

W

W

N

T

E

E

A

A

E

D

R

L

I

I

Y

V

K

K

A

G

V

M

N

E

E

G

A

A

I

I

A

N

S

A

R

K

R

T

V

V

T

T

V
x
Y

D

D

L

F

A

E

T
x
R

Q

L

M

M

E

D

N

G

A

A

T

K

T

L

V

L

G

K

T

C

V

S

A

E

F

F

G

G

D

D

I

A

V

I

T

I

A

E

G

N

L

M

K100 (= K74) modified: N6-succinyllysine; mutation K->R,E: Abolishes enzymatic activity.
T104 (≠ G78) binding
S113 (= S87) binding ; modified: Phosphoserine; mutation S->A,T: Decreased enzyme activity. Loss of phosphorylation.; mutation S->D,E: Reduced affinity for isocitrate.; mutation to D: Loss of enzyme activity.
N115 (= N89) binding
R119 (= R93) binding
R129 (= R103) binding
K142 (= K116) modified: N6-acetyllysine
R153 (= R127) binding
Y160 (= Y134) Critical for catalysis; mutation to F: Nearly abolishes enzyme activity. No significant effect on substrate affinity.
K230 (= K201) Critical for catalysis; mutation to M: Nearly abolishes enzyme activity and strongly reduces substrate affinity.
K242 (≠ R213) modified: N6-succinyllysine; mutation to E: Strongly impairs enzymatic activity.; mutation to R: Impairs enzymatic activity.
D307 (= D271) binding
339:345 (vs. 303:309, 71% identical) binding
N352 (= N316) binding
Y391 (≠ V355) binding
R395 (≠ T359) binding

4ajaA 3d structure of e. Coli isocitrate dehydrogenase in complex with isocitrate, calcium(ii) and thionadp (see paper)
53% identity, 98% coverage: 7:380/380 of query aligns to 30:415/415 of 4ajaA

query
sites
4ajaA

W

Y

I

I

E

E

G

G

D

D

G

G

I

I

G

G

P

V

E

D

V

V

W

T

K

P

A

A

A

M

R

L

P

K

V

V

I

V

D

D

A

A

V

V

E

E

K

K

S

A

Y

Y

G

K

D

G

S

E

R

R

S

K

I

I

E

S

W

W

K

M

E

E

L

I

L

Y

A

T

G

G

E

E

K

K

A

S

H

T

R

Q

E

V

T

Y

G

G

E

Q

-

D

-

V

Y

W

L

L

P

P

Q

A

S

E

T

T

L

L

D

D

T

L

L

I

A

R

T

E

A

Y

E

R

L

V

A

A

I

I

K

K

G

G

P

P

L

L

G
x
T

T
|
T

P

P

V

V

G

G

K

G

G

G

F

I

R

R

S

S

L

L

N

N

V

V

T

A

M

L

R

R

Q

Q

T

E

L

L

D

D

L

L

Y

Y

A

I

C

C

I

L

R

R

P

P

I

V

R

R

Y

Y

F

Y

D

Q

G

G

I

T

M

P

S

S

P

P

V

V

K

K

R

H

P

P

D

E

L

L

V

T

D

D

M

M

V

V

V

I

F

F

R

R

E

E

N

N

T

S

E

E

D

D

V

I

Y
|
Y

A

A

G

G

I

I

E

E

Y

W

R

K

A

A

G

D

T

S

P

A

E

D

A

A

K

E

R

K

L

V

I

I

A

K

F

F

L

L

R

R

D

E

E

E

L

M

G

G

A

V

K

K

-

K

-

I

-

R

V

F

D

P

I

E

E

H

A

C

A

G

V

I

G

G

I

I

K

K

P

P

M

C

T

S

E

E

K

E

G

G

S

T

K

K

R

R

L

L

V

V

R

R

R

A

A

A

L

I

R

E

F

Y

A

A

I

I

D

A

Q

N

K

D

R

R

P

D

N

S

L

V

T

T

L

L

V

V

H

H

K
|
K

G

G

N

N

I

I

M

M

K

K

F

F

T

T

E

E

G

G

G

A

F

F

R

K

E

D

W

W

G

G

Y

Y

E

Q

V

L

A

A

R

R

D

E

E

E

F

F

A

G

-

G

-

E

-

L

-

I

-

D

-

G

D

P

L

W

T

L

T

K

T

V

E

K

T

N

E

P

G

N

T

T

A

G

G

K

R

E

L

I

V

V

V

I

K

K

D

D

R

V

I

I

A

A

D
|
D

A

A

M

F

F

L

Q

Q

E

Q

V

I

L

L

I

L

R

R

P

P

Q

A

Q

E

Y

Y

S

D

V

V

I

I

A

A

T

C

S

M

N

N

L

L

N

N

G

G

D
|
D

Y

Y

I

I

S

S

D
|
D

A

A

L

L

A

A

Q

Q

V

V

G

G

L

I

G

G

L

I

A

A

P

P

G

G

V

A

N

N

M

I

S

G

D

D

S

E

L

C

A

A

F

L

F

F

E

E

A

A

T

T

H
|
H

G
|
G

T
|
T

A
|
A

P

P

T

K

I
x
Y

A

A

G

G

Q

Q

D

D

K

K

A

V

N
|
N

P

P

G

G

S

S

L

I

I

I

L

L

C

S

G

A

A

E

L

M

M

M

L

L

E

R

H

H

M

M

G

G

W

W

N

T

E

E

A

A

E

D

R

L

I

I

Y

V

K

K

A

G

V

M

N

E

E

G

A

A

I

I

A

N

S

A

R

K

R

T

V

V

T

T

V
x
Y

D
|
D

L

F

A

E

T
x
R

Q

L

M

M

E

D

N

G

A

A

T

K

T

L

V

L

G

K

T

C

V

S

A

E

F

F

G

G

D

D

I

A

V

I

T

I

A

E

G

N

L

M

active site: Y159 (= Y134), K229 (= K201), D282 (= D247), D306 (= D271), D310 (= D275)
binding calcium ion: D306 (= D271), D310 (= D275)
binding 7-thionicotinamide-adenine-dinucleotide phosphate: T103 (≠ G78), T104 (= T79), H338 (= H303), G339 (= G304), T340 (= T305), A341 (= A306), Y344 (≠ I309), N351 (= N316), Y390 (≠ V355), D391 (= D356), R394 (≠ T359)

1hj6A Isocitrate dehydrogenase s113e mutant complexed with isopropylmalate, NADP+ and magnesium (flash-cooled) (see paper)
53% identity, 98% coverage: 7:380/380 of query aligns to 29:414/414 of 1hj6A

query
sites
1hj6A

W

Y

I

I

E

E

G

G

D

D

G

G

I

I

G

G

P

V

E

D

V

V

W

T

K

P

A

A

A

M

R

L

P

K

V

V

I

V

D

D

A

A

V

V

E

E

K

K

S

A

Y

Y

G

K

D

G

S

E

R

R

S

K

I

I

E

S

W

W

K

M

E

E

L

I

L

Y

A

T

G

G

E

E

K

K

A

S

H

T

R

Q

E

V

T

Y

G

G

E

Q

-

D

-

V

Y

W

L

L

P

P

Q

A

S

E

T

T

L

L

D

D

T

L

L

I

A

R

T

E

A

Y

E

R

L

V

A

A

I

I

K

K

G

G

P
|
P

L
|
L

G
x
T

T

T

P

P

V

V

G

G

K

G

G

G

F

I

R

R

S
x
E

L

L

N
|
N

V

V

T

A

M

L

R
|
R

Q

Q

T

E

L

L

D

D

L

L

Y

Y

A

I

C

C

I

L

R
|
R

P

P

I

V

R

R

Y

Y

F

Y

D

Q

G

G

I

T

M

P

S

S

P

P

V

V

K

K

R

H

P

P

D

E

L

L

V

T

D

D

M

M

V

V

V

I

F

F

R
|
R

E

E

N

N

T

S

E

E

D

D

V

I

Y
|
Y

A

A

G

G

I

I

E

E

Y

W

R

K

A

A

G

D

T

S

P

A

E

D

A

A

K

E

R

K

L

V

I

I

A

K

F

F

L

L

R

R

D

E

E

E

L

M

G

G

A

V

K

K

-

K

-

I

-

R

V

F

D

P

I

E

E

H

A

C

A

G

V

I

G

G

I

I

K

K

P

P

M

C

T

S

E

E

K

E

G

G

S

T

K

K

R

R

L

L

V

V

R

R

R

A

A

A

L

I

R

E

F

Y

A

A

I

I

D

A

Q

N

K

D

R

R

P

D

N

S

L

V

T

T

L

L

V

V

H

H

K
|
K

G

G

N

N

I

I

M

M

K

K

F

F

T

T

E

E

G

G

G

A

F

F

R

K

E

D

W

W

G

G

Y

Y

E

Q

V

L

A

A

R

R

D

E

E

E

F

F

A

G

-

G

-

E

-

L

-

I

-

D

-

G

D

P

L

W

T

L

T

K

T

V

E

K

T

N

E

P

G

N

T

T

A

G

G

K

R

E

L

I

V

V

V

I

K

K

D

D

R

V

I

I

A

A

D
|
D

A

A

M

F

F

L

Q

Q

E

Q

V

I

L

L

I

L

R

R

P

P

Q

A

Q

E

Y

Y

S

D

V

V

I

I

A

A

T

C

S

M

N

N

L

L

N

N

G

G

D
|
D

Y

Y

I

I

S

S

D
|
D

A

A

L

L

A

A

Q

Q

V

V

G

G

L
x
I

G
|
G

L

I

A

A

P

P

G

G

V

A

N

N

M

I

S

G

D

D

S

E

L

C

A

A

F

L

F

F

E

E

A

A

T

T

H
|
H

G
|
G

T
|
T

A
|
A

P

P

T

K

I
x
Y

A

A

G

G

Q

Q

D

D

K

K

A
x
V

N
|
N

P

P

G

G

S

S

L

I

I

I

L

L

C

S

G

A

A

E

L

M

M

M

L

L

E

R

H

H

M

M

G

G

W

W

N

T

E

E

A

A

E

D

R

L

I

I

Y

V

K

K

A

G

V

M

N

E

E

G

A

A

I

I

A

N

S

A

R

K

R

T

V

V

T

T

V
x
Y

D
|
D

L

F

A

E

T

R

Q

L

M

M

E

D

N

G

A

A

T

K

T

L

V

L

G

K

T

C

V

S

A

E

F

F

G

G

D

D

I

A

V

I

T

I

A

E

G

N

L

M

active site: Y158 (= Y134), K228 (= K201), D281 (= D247), D305 (= D271), D309 (= D275)
binding 3-isopropylmalic acid: E111 (≠ S87), R117 (= R93), R127 (= R103), R151 (= R127), Y158 (= Y134), D305 (= D271)
binding nadp nicotinamide-adenine-dinucleotide phosphate: P100 (= P76), L101 (= L77), T102 (≠ G78), N113 (= N89), I318 (≠ L284), G319 (= G285), H337 (= H303), G338 (= G304), T339 (= T305), A340 (= A306), Y343 (≠ I309), V349 (≠ A315), N350 (= N316), Y389 (≠ V355), D390 (= D356)

1idcA Isocitrate dehydrogenase from e.Coli (mutant k230m), steady-state intermediate complex determined by laue crystallography (see paper)
53% identity, 98% coverage: 7:380/380 of query aligns to 29:414/414 of 1idcA

query
sites
1idcA

W

Y

I

I

E

E

G

G

D

D

G

G

I

I

G

G

P

V

E

D

V

V

W

T

K

P

A

A

A

M

R

L

P

K

V

V

I

V

D

D

A

A