SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Echvi_4481 Echvi_4481 mercuric reductase 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)

P16171 Mercuric reductase; Hg(II) reductase; EC 1.16.1.1 from Bacillus cereus (see paper)
34% identity, 96% coverage: 27:646/647 of query aligns to 6:630/631 of P16171

query
sites
P16171

L

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Y264 (= Y283) mutation to F: 30-fold decrease in activity. 300-fold decrease in activity; when associated with F-605.
Y605 (= Y621) mutation to F: 10-fold decrease in activity. 300-fold decrease in activity; when associated with F-264.; mutation to H: 2-fold decrease in activity.

5x1yB Structure of mercuric reductase from lysinibacillus sphaericus (see paper)
40% identity, 69% coverage: 188:636/647 of query aligns to 4:454/454 of 5x1yB

query
sites
5x1yB

H

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D

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D

active site: A13 (≠ S197), V37 (≠ I222), C41 (= C226), C46 (= C231), S49 (= S234), A74 (≠ N259), G75 (≠ P260), Y178 (= Y364), E182 (= E368), A318 (= A500), A437 (≠ H619), Y439 (= Y621), E444 (= E626)
binding flavin-adenine dinucleotide: I9 (= I193), G10 (= G194), S11 (≠ G195), G12 (= G196), A13 (≠ S197), A14 (= A198), I32 (≠ V216), E33 (≠ N217), R34 (≠ A218), G39 (= G224), T40 (= T225), C41 (= C226), I44 (≠ V229), G45 (= G230), C46 (= C231), K50 (= K235), G112 (= G298), E113 (≠ W299), A114 (= A300), A137 (= A323), T138 (= T324), G139 (= G325), S158 (≠ N344), Y178 (= Y364), I179 (= I365), R266 (≠ T448), L273 (= L455), G305 (= G487), D306 (= D488), Q312 (≠ A494), F313 (= F495), V314 (= V496), Y315 (= Y497), A317 (= A499)

P00392 Mercuric reductase; Hg(II) reductase; EC 1.16.1.1 from Pseudomonas aeruginosa (see paper)
41% identity, 83% coverage: 108:646/647 of query aligns to 4:560/561 of P00392

query
sites
P00392

F

L

S

K

I

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G

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M

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D

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C

V

V

N

N

V

V

G

G

C
|
C

V

V

P

P

S

S

K

K

H

I

L

M

I

I

R

R

A

A

A

A

E

H

Q

I

V

A

H

H

R

L

A

R

Q

R

H

E

S

S

P

P

F

F

N

D

G

G

-

G

V

I

S

A

G

A

A

T

N

V

P

P

T

T

F

I

D

D

F

R

K

S

A

K

T

L

I

L

Q

A

Q

Q

K

Q

K

Q

E

A

L

R

V

V

A

D

A

E

L

L

Q

R

K

H

K

A

K

K

Y

Y

L

E

G

G

V

I

V

L

G

G

D

G

L

N

D

P

N

A

I

I

T

T

I

V

L

V

E

H

G

G

W

E

A

A

R

R

F

F

V

K

D

D

A

D

H

Q

T

S

I

L

E

T

V

V

-

R

-

L

-

N

D

E

G

G

K

G

P

E

Y

R

K

V

G

V

M

M

-

F

-

D

K

R

Y

C

L

L

L

V

A

A

T

T

G

G

A

A

T

S

T

P

N

A

V

V

P

P

D

P

L

I

P

P

G

G

L

L

E

K

D

E

V

S

G

P

Y

Y

L

W

T

T

N

S

E

T

T

E

L

A

F

L

D

A

L

S

E

D

E

T

Q

I

P

P

E

E

H

R

L

L

I

A

V

V

L

I

G

G

A

S

G

S

Y

V

I

V

A

A

L

L

E

E

I

L

A

A

Q

Q

A

A

Y

F

H

A

R

R

F

L

G

G

T

S

K

K

V

V

T

T

M

V

L

L

H

A

R

R

S

N

E

T

R

L

I

F

L

F

R

R

T

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Q

D

A

P

A

A

D

-

I

I

T

G

D

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D

A

L

V

T

T

S

A

H

A

F

F

T

R

E

A

E

E

G

G

I

I

E

E

V

V

-

L

-

E

H

H

T

T

N

Q

V

A

S

S

I

-

Q

Q

K

V

F

A

E

H

K

M

N

D

G

G

D

E

A

-

I

F

V

V

A

L

H

T

T

T

N

T

E

H

G

G

T

E

F

L

E

R

A

A

S

D

H

K

V

L

L

L

V

V

A

A

T

T

G

G

T

R

R

T

P

P

N

N

T

T

S

R

G

S

L

L

A

A

I

L

E

D

N

A

A

A

G

G

V

V

N

T

L

V

N

N

K

A

T

Q

G

G

H

A

I

I

L

V

V

I

N

D

T

Q

K

G

Q

M

E

R

T

T

N

S

V

N

G

P

H

N

I

I

Y

Y

A

A

A

A

G

G

D

D

C

C

T

T

D

D

T

Q

P

P

A

Q

F

F

V

V

Y

Y

T

V

A

A

A

A

K

A

E

A

G

G

K

T

V

R

A

A

V

A

L

I

N

N

A

-

F

-

Q

M

S

T

T

G

G

G

D

D

M

A

-

A

V

L

D

D

Y

L

T

T

G

A

L

M

P

P

W

A

V

V

V

V

F

F

T

T

D

D

P

P

Q

Q

I

V

A

A

G

T

A

V

G

G

L

Y

D

S

E

E

K

A

E

E

A

A

E

H

E

H

A

D

G

G

I

I

P

E

Y

T

E

D

T

S

S

R

V

T

M

L

P

T

L

L

T

D

E

N

V

V

P

P

R

R

A

A

Q

L

A

A

A

N

L

F

D

D

T

T

R

R

G

G

V

F

I

I

K

K

L

L

I

V

R

I

N

E

S

E

E

G

T

S

D

H

K

R

L

L

I

I

G

G

G

V

R

Q

I

A

I

V

A

A

P

P

E

E

G

A

G

G

E

E

L

L

A

I

M

Q

Q

T

V

A

S

A

L

L

A

A

I

I

K

R

A

N

G

R

M

M

T

T

I

V

Q

Q

E

E

L

L

A

A

D

D

A

Q

F

L

H

F

P

P

Y

Y

L

L

T

T

L

M

S

V

E

E

G

G

V

L

K

K

L

L

A

A

A

A

I

Q

T

T

F

F

N

N

K

K

D

D

V

V

S

K

E

Q

L

L

S

S

C

C

C

C

A

A

C136 (= C226) modified: Disulfide link with 141, Redox-active
C141 (= C231) modified: Disulfide link with 136, Redox-active

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

4k7zA Crystal structure of the c136(42)a/c141(47)a double mutant of tn501 mera in complex with NADP and hg2+
45% identity, 70% coverage: 192:646/647 of query aligns to 9:466/467 of 4k7zA

query
sites
4k7zA

I

V

I
|
I

G
|
G

G

S

G
|
G

S
x
G

A
|
A

A

A

F

M

S

A

A

A

A

A

T

L

T

K

A

A

N

V

E

E

L

Q

G

G

L

A

T

Q

V

V

L

T

M

L

V
x
I

N
x
E

A
x
R

G

G

L

-

D

T

I
|
I

G

G

G
|
G

T
|
T

C
x
A

V

V

N

N

V

V

G
|
G

C
x
A

V

V

P

P

S
|
S

K
|
K

H

I

L

M

I

I

R

R

A

A

A

A

E

H

Q

I

V

A

H

H

R

L

A

R

Q

R

H

E

S

S

P

P

F

F

N

D

G

G

-

G

V

I

S

A

G

A

A

T

N
x
V

P
|
P

T

T

F

I

D

D

F

R

K

S

A

K

T

L

I

L

Q

A

Q

Q

K

Q

K

Q

E

A

L

R

V

V

A

D

A

E

L

L

Q

R

K

H

K

A

K

K

Y

Y

L

E

G

G

V

I

V

L

G

G

D

G

L

N

D

P

N

A

I

I

T

T

I

V

L

V

E

H

G
|
G

W
x
E

A
|
A

R

R

F

F

V

K

D

D

A

D

H

Q

T

S

I

L

E

T

V

V

-

R

-

L

-

N

D

E

G

G

K

G

P

E

Y

R

K

V

G

V

M

M

-

F

-

D

K

R

Y

C

L

L

L

V

A
|
A

T
|
T

G
|
G

A

A

T

S

T

P

N

A

V

V

P
|
P

D

P

L

I

P

P

G

G

L

L

E

K

D

E

V

S

G

P

Y

Y

L

W

T

T

N
x
S

E

T

T

E

L

A

F

L

D

A

L

S

E

D

E

T

Q

I

P

P

E

E

H

R

L

L

I

A

V

V

L

I

G

G

A
x
S

G
x
S

Y
x
V

I
x
V

A

A

L

L

E
|
E

I

L

A

A

Q

Q

A

A

Y

F

H

A

R

R

F

L

G

G

T

S

K

K

V

V

T

T

M

V

L

L

H

A

R
|
R

S
x
N

E

T

R

L

I

F

L
x
F

R
|
R

T

E

Q

D

A

P

A

A

D

-

I

I

T

G

D

E

D

A

L

V

T

T

S

A

H

A

F

F

T

R

E

A

E

E

G

G

I

I

E

E

V

V

-

L

-

E

H

H

T

T

N

Q

V

A

S

S

I

-

Q

Q

K

V

F

A

E

H

K

M

N

D

G

G

D

E

A

-

I

F

V

V

A

L

H

T

T

T

N

T

E

H

G

G

T

E

F

L

E

R

A

A

S

D

H

K

V

L

L

L

V

V

A
|
A

T
|
T

G
|
G

T
x
R

R

T

P

P

N

N

T

T

S

R

G

S

L

L

A

A

I

L

E

D

N

A

A

A

G

G

V

V

N

T

L

V

N

N

K

A

T

Q

G

G

H

A

I

I

L

V

V

I

N

D

T

Q

K

G

Q

M

E

R

T

T

N

S

V

N

G

P

H

N

I

I

Y

Y

A

A

A

A

G
|
G

D
|
D

C

C

T

T

D

D

T

Q

P

P

A
x
Q

F
|
F

V
|
V

Y
|
Y

T

V

A
|
A

A
|
A

K

A

E

A

G

G

K

T

V

R

A

A

V

A

L

I

N

N

A

-

F

-

Q

M

S

T

T

G

G

G

D

D

M

A

-

A

V

L

D

D

Y

L

T

T

G

A

L

M

P

P

W

A

V
|
V

V

V

F
|
F

T

T

D

D

P

P

Q

Q

I

V

A

A

G

T

A

V

G

G

L

Y

D

S

E

E

K

A

E

E

A

A

E

H

E

H

A

D

G

G

I

I

P

E

Y

T

E

D

T

S

S

R

V

T

M

L

P

T

L

L

T

D

E

N

V

V

P

P

R

R

A

A

Q

L

A

A

A

N

L

F

D

D

T

T

R

R

G

G

V

F

I

I

K

K

L

L

I

V

R

I

N

E

S

E

E

G

T

S

D

H

K

R

L

L

I

I

G

G

G

V

R

Q

I

A

I

V

A

A

P

P

E

E

G

A

G

G

E

E

L

L

A

I

M

Q

Q

T

V

A

S

A

L

L

A

A

I

I

K

R

A

N

G

R

M

M

T

T

I

V

Q

Q

E

E

L

L

A

A

D

D

A

Q

F

L

H
x
F

P

P

Y
|
Y

L

L

T

T

L

M

S

V

E
|
E

G

G

V

L

K

K

L

L

A

A

A

A

I

Q

T

T

F

F

N

N

K

K

D

D

V

V

S

K

E

Q

L

L

S

S

C
|
C

C
|
C

A

A

active site: G14 (≠ S197), I38 (= I222), A42 (≠ C226), A47 (≠ C231), S50 (= S234), V76 (≠ N259), P77 (= P260), V186 (≠ Y364), E190 (= E368), A321 (= A500), F439 (≠ H619), Y441 (= Y621), E446 (= E626), C464 (= C644), C465 (= C645)
binding flavin-adenine dinucleotide: I10 (= I193), G11 (= G194), G13 (= G196), G14 (≠ S197), A15 (= A198), I33 (≠ V216), E34 (≠ N217), R35 (≠ A218), G40 (= G224), T41 (= T225), A42 (≠ C226), G46 (= G230), A47 (≠ C231), S50 (= S234), K51 (= K235), G115 (= G298), E116 (≠ W299), A117 (= A300), A145 (= A323), T146 (= T324), G147 (= G325), S166 (≠ N344), R269 (≠ T448), G308 (= G487), D309 (= D488), Q315 (≠ A494), F316 (= F495), V317 (= V496), Y318 (= Y497), A320 (= A499), F348 (= F528)
binding nadp nicotinamide-adenine-dinucleotide phosphate: K51 (= K235), P153 (= P331), S184 (≠ A362), S185 (≠ G363), V186 (≠ Y364), V187 (≠ I365), E190 (= E368), R207 (= R385), N208 (≠ S386), F212 (≠ L390), R213 (= R391), A266 (= A445), T267 (= T446), G268 (= G447), R269 (≠ T448), Q315 (≠ A494), F316 (= F495), V346 (= V526), F348 (= F528)

4k8dA Crystal structure of the c558(464)a/c559(465)a double mutant of tn501 mera in complex with NADPH and hg2+
45% identity, 70% coverage: 192:646/647 of query aligns to 8:465/466 of 4k8dA

query
sites
4k8dA

I

V

I
|
I

G
|
G

G

S

G
|
G

S
x
G

A
|
A

A

A

F

M

S

A

A

A

A

A

T

L

T

K

A

A

N

V

E

E

L

Q

G

G

L

A

T

Q

V

V

L

T

M

L

V
x
I

N
x
E

A
x
R

G

G

L

-

D

T

I
|
I

G

G

G
|
G

T
|
T

C
|
C

V

V

N

N

V
|
V

G
|
G

C
|
C

V

V

P

P

S
|
S

K
|
K

H

I

L

M

I

I

R

R

A

A

A

A

E

H

Q

I

V

A

H

H

R

L

A

R

Q

R

H

E

S

S

P

P

F

F

N

D

G

G

-

G

V

I

S

A

G

A

A

T

N
x
V

P
|
P

T

T

F

I

D

D

F

R

K

S

A

K

T

L

I

L

Q

A

Q

Q

K

Q

K

Q

E

A

L

R

V

V

A

D

A

E

L

L

Q

R

K

H

K

A

K

K

Y

Y

L

E

G

G

V

I

V

L

G

G

D

G

L

N

D

P

N

A

I

I

T

T

I

V

L

V

E

H

G
|
G

W
x
E

A
|
A

R

R

F

F

V

K

D

D

A

D

H

Q

T

S

I

L

E

T

V

V

-

R

-

L

-

N

D

E

G

G

K

G

P

E

Y

R

K

V

G

V

M

M

-

F

-

D

K

R

Y

C

L

L

L

V

A
|
A

T
|
T

G
|
G

A

A

T

S

T

P

N

A

V

V

P
|
P

D

P

L

I

P

P

G

G

L

L

E

K

D

E

V

S

G

P

Y

Y

L

W

T

T

N
x
S

E

T

T

E

L

A

F

L

D

A

L

S

E

D

E

T

Q

I

P

P

E

E

H

R

L

L

I

A

V

V

L

I

G

G

A
x
S

G
x
S

Y
x
V

I
x
V

A

A

L

L

E
|
E

I

L

A

A

Q

Q

A

A

Y

F

H

A

R

R

F

L

G

G

T

S

K

K

V

V

T

T

M

V

L

L

H

A

R
|
R

S
x
N

E

T

R

L

I

F

L
x
F

R
|
R

T

E

Q

D

A

P

A

A

D

-

I

I

T

G

D

E

D

A

L

V

T

T

S

A

H

A

F

F

T

R

E

A

E

E

G

G

I

I

E

E

V

V

-

L

-

E

H

H

T

T

N

Q

V

A

S

S

I

-

Q

Q

K

V

F

A

E

H

K

M

N

D

G

G

D

E

A

-

I

F

V

V

A

L

H

T

T

T

N

T

E

H

G

G

T

E

F

L

E

R

A

A

S

D

H

K

V

L

L

L

V

V

A
|
A

T
|
T

G
|
G

T
x
R

R

T

P

P

N

N

T

T

S

R

G

S

L

L

A

A

I

L

E

D

N

A

A

A

G

G

V

V

N

T

L

V

N

N

K

A

T

Q

G

G

H

A

I

I

L

V

V

I

N

D

T

Q

K

G

Q

M

E

R

T

T

N

S

V

N

G

P

H

N

I

I

Y

Y

A

A

A

A

G
|
G

D
|
D

C

C

T

T

D

D

T

Q

P

P

A
x
Q

F
|
F

V
|
V

Y
|
Y

T

V

A
|
A

A
|
A

K

A

E

A

G

G

K

T

V

R

A

A

V

A

L

I

N

N

A

-

F

-

Q

M

S

T

T

G

G

G

D

D

M

A

-

A

V

L

D

D

Y

L

T

T

G

A

L

M

P

P

W

A

V
|
V

V

V

F
|
F

T

T

D

D

P

P

Q

Q

I

V

A

A

G

T

A

V

G

G

L

Y

D

S

E

E

K

A

E

E

A

A

E

H

E

H

A

D

G

G

I

I

P

E

Y

T

E

D

T

S

S

R

V

T

M

L

P

T

L

L

T

D

E

N

V

V

P

P

R

R

A

A

Q

L

A

A

A

N

L

F

D

D

T

T

R

R

G

G

V

F

I

I

K

K

L

L

I

V

R

I

N

E

S

E

E

G

T

S

D

H

K

R

L

L

I

I

G

G

G

V

R

Q

I

A

I

V

A

A

P

P

E

E

G

A

G

G

E

E

L

L

A

I

M

Q

Q

T

V

A

S

A

L

L

A

A

I

I

K

R

A

N

G

R

M

M

T

T

I

V

Q

Q

E

E

L

L

A

A

D

D

A

Q

F

L

H
x
F

P

P

Y
|
Y

L

L

T

T

L

M

S

V

E
|
E

G

G

V

L

K

K

L

L

A

A

A

A

I

Q

T

T

F

F

N

N

K

K

D

D

V

V

S

K

E

Q

L

L

S

S

C
x
A

C
x
A

A

A

active site: G13 (≠ S197), I37 (= I222), C41 (= C226), C46 (= C231), S49 (= S234), V75 (≠ N259), P76 (= P260), V185 (≠ Y364), E189 (= E368), A320 (= A500), F438 (≠ H619), Y440 (= Y621), E445 (= E626), A463 (≠ C644), A464 (≠ C645)
binding flavin-adenine dinucleotide: I9 (= I193), G10 (= G194), G12 (= G196), G13 (≠ S197), A14 (= A198), I32 (≠ V216), E33 (≠ N217), R34 (≠ A218), G39 (= G224), T40 (= T225), C41 (= C226), V44 (= V229), G45 (= G230), C46 (= C231), S49 (= S234), K50 (= K235), G114 (= G298), E115 (≠ W299), A116 (= A300), A144 (= A323), T145 (= T324), G146 (= G325), S165 (≠ N344), R268 (≠ T448), G307 (= G487), D308 (= D488), Q314 (≠ A494), F315 (= F495), V316 (= V496), Y317 (= Y497), A319 (= A499), F347 (= F528)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: K50 (= K235), P152 (= P331), S183 (≠ A362), S184 (≠ G363), V185 (≠ Y364), V186 (≠ I365), E189 (= E368), R206 (= R385), N207 (≠ S386), F211 (≠ L390), R212 (= R391), A265 (= A445), T266 (= T446), G267 (= G447), R268 (≠ T448), Q314 (≠ A494), F315 (= F495), V345 (= V526), F347 (= F528)

4ywoA Mercuric reductase from metallosphaera sedula (see paper)
34% identity, 70% coverage: 184:638/647 of query aligns to 3:444/444 of 4ywoA

query
sites
4ywoA

D

D

P

P

G

-

Q

M

H

H

D

K

L

L

I

A

I

I

I
|
I

G
|
G

G
x
Y

G
|
G

S
x
A

A
|
A

A

G

F

F

S

A

A

A

A

M

T

I

T

K

A

A

N

N

E

E

L

L

G

G

L

V

T

K

V

P

L

V

M

L

V
x
I

N
x
G

A
x
K

G
|
G

L

-

D

E

I
|
I

G

G

G
|
G

T
|
T

C
|
C

V

V

N

N

V
|
V

G
|
G

C
|
C

V

V

P

P

S
|
S

K
|
K

H

R

L

M

I

L

R

Y

A

I

A

A

E

E

Q

I

V

Y

H

K

R

K

A

A

Q

R

H

E

S

-

P

-

F

-

N

-

G

-

V

V

S

T

G

G

A

S

N

E

-

V

-

Y

P

P

T

P

F

F

D

-

F

-

K

-

A

S

T

S

I

F

Q

Q

Q

E

K

K

K

D

E

G

L

L

V

V

A

Q

A

E

L

M

Q

R

K

K

K

T

K

K

Y

Y

L

E

G

D

V

L

V

L

G

S

D

Y

L

Y

D

D

N

-

I

V

T

E

I

L

L

I

E

Q

G
|
G

W
x
E

A
|
A

R

R

F

F

V

I

D

S

A

P

H

H

T

A

I

V

E

K

V

V

D

N

G

G

K

Q

P

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Y

I

K

E

G

A

M

E

K

K

Y

F

L

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L

I

A
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A

T
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T

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G

A

S

T

S

T

P

N

L

V

I

P

P

D

R

L

I

P

P

G

G

L

L

E

D

D

K

V

V

G

G

Y

F

L

W

T

T

N
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N

E

R

T

E

L

A

F

L

D

S

L

P

E

D

E

R

Q

R

P

I

E

D

H

S

L

L

I

A

V

V

L

I

G

G

A

G

G

R

Y
x
A

I
x
L

A

A

L

L

E
|
E

I
x
F

A

A

Q

Q

A

M

Y

Y

H

S

R

R

F

M

G

K

T

V

K

E

V

V

T

A

M

I

L

L

H

Q

R

R

S

S

E

P

R

V

I

L

L

I

R

P

T

D

Q

W

A

E

A

P

D

E

I

A

T

S

D

V

D

E

L

A

T

R

S

R

H

I

F

M

T

E

E

N

E

D

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G

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E

A

V

V

H

V

T

T

N

G

V

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S

N

I

V

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K

E

F

V

E

R

K

K

N

G

G

A

D

G

A

K

I

I

V

V

A

I

H

-

T

T

N

D

E

K

G

G

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E

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E

E

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A

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D

H

E

V

I

L

L

V

L

A

A

T

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G

G

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x
R

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P

N

N

T

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S

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G

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L
|
L

A

G

I

L

E

E

N

N

A

A

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G

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V

N

R

L

L

N

N

K

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P

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H

I

I

Y

Y

A

A

A

A

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D
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D

C

V

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D

G

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G

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K

A
x
M

F
x
L

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x
E

Y

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A
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A

A
x
G

K

R

E

Q

G

G

K

S

V

I

A

A

V

T

L

E

N

N

A

A

F

L

Q

T

S

G

T

S

G

H

D

K

M

R

V

V

D

D

Y

E

T

N

G

A

L

V

P

P

W

Q

V

V

V

I

F
|
F

T

T

D

Q

P

P

Q

N

I

L

A

A

G

R

A

V

G

G

L

L

D

T

E

E

K

A

E

E

A

A

E

R

E

A

A

K

G

E

I

G

P

E

Y

V

E

E

T

A

S

R

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V

M

L

P

P

L

M

T

S

E

S

V

V

P

A

R

K

A

A

Q

E

A

I

A

I

L

N

D

S

T

R

R

L

G

G

V

F

I

V

K

K

L

M

I

V

R

-

N

-

S

T

E

M

T

N

D

G

K

R

L

I

I

V

G

G

G

V

R

H

I

A

I

V

A

G

P

E

E

N

G

V

G

A

E

E

L

M

A

I

M

G

Q

E

V

A

S

A

L

L

A

A

I

I

K

R

A

F

G

G

M

A

T

T

I

V

Q

H

E

D

L

L

A

I

D

D

A

T

F

V

H
|
H

P

M

Y
x
F

L

P

T

T

L

I

S

A

E
|
E

G

S

V

L

K

R

L

L

A

V

A

A

I

L

T

A

F

F

N

R

K

S

D

D

active site: A15 (≠ S197), I39 (= I222), C43 (= C226), C48 (= C231), S51 (= S234), A174 (≠ Y364), E178 (= E368), G308 (≠ A500), H425 (= H619), F427 (≠ Y621), E432 (= E626)
binding flavin-adenine dinucleotide: I11 (= I193), G12 (= G194), Y13 (≠ G195), G14 (= G196), A15 (≠ S197), A16 (= A198), I34 (≠ V216), G35 (≠ N217), K36 (≠ A218), G37 (= G219), G41 (= G224), T42 (= T225), C43 (= C226), V46 (= V229), G47 (= G230), C48 (= C231), S51 (= S234), K52 (= K235), G108 (= G298), E109 (≠ W299), A110 (= A300), A133 (= A323), T134 (= T324), G135 (= G325), N154 (= N344), L175 (≠ I365), F179 (≠ I369), R257 (≠ T448), L263 (= L455), G295 (= G487), D296 (= D488), M302 (≠ A494), L303 (≠ F495), E304 (≠ V496), A307 (= A499), F336 (= F528)

2eq6A Crystal structure of lipoamide dehydrogenase from thermus thermophilus hb8
36% identity, 70% coverage: 188:638/647 of query aligns to 4:454/460 of 2eq6A

query
sites
2eq6A

H

Y

D

D

L

L

I

I

I

V

I
|
I

G
|
G

G
x
T

G
|
G

S
x
P

A
x
G

A

G

F

Y

S

H

A

A

A

A

T

I

T

R

A

A

N

A

E

Q

L

L

G

G

L

L

T

K

V

V

L

L

M

A

V
|
V

N
x
E

A
|
A

G

G

L

-

D

E

I
x
V

G

G

G
|
G

T
x
V

C
|
C

V

L

N

N

V

V

G
|
G

C
|
C

V

I

P

P

S
x
T

K
|
K

H

A

L

L

I

L

R

H

A

A

A

A

E

E

Q

T

V

L

H

H

R

H

A

L

Q

K

H

V

S

A

P

E

F

G

N

F

G

G

V

L

S

K

G

-

A

A

N

K

P

P

T

E

F

L

D

D

F

L

K

K

A

K

T

L

I

G

Q

G

Q

W

K

R

K

D

E

Q

L

V

V

V

A

-

A

-

L

-

Q

-

K

-

K

K

K

K

Y

L

L

T

G

G

V

G

V

V

G

G

D

T

L

L

-

L

-

K

-

G

D

N

N

G

I

V

T

E

I

L

L

L

E

R

G
|
G

W
x
F

A
|
A

R

R

F

L

V

V

D

G

A

P

H

K

T

E

I

V

E

E

V

V

D

G

G

G

K

E

P

R

Y

Y

K

G

G

A

M

K

K

S

Y

L

L

I

L

L

A
|
A

T
|
T

G
|
G

A

S

-

E

T

P

T

L

N

E

V

L

P

K

D

G

L

F

P

P

G

F

L

G

E

E

D

D

V

V

G

-

Y

W

L

D

T
x
S

N

T

E

R

T

A

L

L

F

K

D

V

L

E

E

E

E

G

Q

L

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P

E

K

H

R

L

L

I

L

V

V

L

I

G

G

A

G

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G

Y
x
A

I
x
V

A

G

L

L

E
|
E

I

L

A

G

Q

Q

A

V

Y

Y

H

R

R

R

F

L

G

G

T

A

K

E

V

V

T

T

M

L

L

I

H

E

R

Y

S

M

E

P

R

E

I

I

L

L

R

P

T

Q

Q

G

A

D

A

P

D

E

I

T

T

A

D

A

D

L

L

L

T

R

S

R

H

A

F

L

T

E

E

K

E

E

G

G

I

I

E

R

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V

H

R

T

T

N

K

V

T

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K

I

A

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K

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E

E

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N

K

G

K

D

D

A

G

I

L

-

H

-

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-

R

-

L

-

E

-

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A

A

E

H

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E

E

G

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E

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A

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D

H

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V

L

L

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A

A

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G

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x
R

R

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P

N
x
R

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T

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E

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G

L

L

A

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I

L

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N

K

A

A

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G

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L

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K

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G

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I

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H

G

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Y

A

A

A

I

G
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G

D
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D

C

A

T

A

D

R

T

P

P

P

A
x
L

F
x
L

V
x
A

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x
H

T

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A
|
A

A

M

K

R

E

E

G

G

K

L

V

I

A

A

V

A

L

E

N

N

A

A

F

-

Q

A

S

G

T

K

G

D

D

S

M

A

V

F

D

D

Y

Y

T

Q

G

-

L

V

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P

W

S

V

V

V

V

F
x
Y

T

T

D

S

P

P

Q

E

I

W

A

A

G

G

A

V

G

G

L

L

D

T

E

E

K

E

E

E

A

A

E

K

E

R

A

A

G

G

I

Y

P

K

Y

V

E

K

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V

S

G

V

K

M

F

P

P

L

L

T

A

E

A

V

S

P

G

R

R

A

A

Q

L

A

T

A

L

L

G

D

G

T

A

R

E

G

G

V

M

I

V

K

K

L

V

I

V

R

G

N

D

S

E

E

E

T

T

D

D

K

L

L

L

I

L

G

G

G

V

R

F

I

I

I

V

A

G

P

P

E

Q

G

A

G

G

E

E

L

L

A

I

M

A

Q

E

V

A

S

A

L

L

A

A

I

L

K

E

A

M

G

G

M

A

T

T

I

L

Q

T

E

D

L

L

A

A

D

L

A

T

F

V

H
|
H

P

P

Y
x
H

L
x
P

T

T

L

L

S

S

E
|
E

G

S

V

L

K

M

L

E

A

A

A

A

I

E

T

A

F

F

N

H

K

K

D

Q

active site: V37 (≠ I222), C41 (= C226), C46 (= C231), T49 (≠ S234), A176 (≠ Y364), E180 (= E368), H435 (= H619), H437 (≠ Y621), E442 (= E626)
binding flavin-adenine dinucleotide: I9 (= I193), G10 (= G194), T11 (≠ G195), G12 (= G196), P13 (≠ S197), G14 (≠ A198), V32 (= V216), E33 (≠ N217), A34 (= A218), G39 (= G224), V40 (≠ T225), C41 (= C226), G45 (= G230), C46 (= C231), T49 (≠ S234), K50 (= K235), G110 (= G298), F111 (≠ W299), A112 (= A300), A135 (= A323), T136 (= T324), G137 (= G325), S155 (≠ T343), V177 (≠ I365), R266 (≠ T448), R269 (≠ N451), G305 (= G487), D306 (= D488), L312 (≠ A494), L313 (≠ F495), A314 (≠ V496), H315 (≠ Y497), A317 (= A499), Y344 (≠ F528), H437 (≠ Y621), P438 (≠ L622)

Sites not aligning to the query:

active site: 460

P11959 Dihydrolipoyl dehydrogenase; Dihydrolipoamide dehydrogenase; E3 component of pyruvate complex; EC 1.8.1.4 from Geobacillus stearothermophilus (Bacillus stearothermophilus) (see paper)
36% identity, 68% coverage: 187:626/647 of query aligns to 9:451/470 of P11959

query
sites
P11959

Q

E

H

T

D

E

L

T

I

L

I

V

I

V

G

G

G

A

G

G

S

P

A

G

A

G

F

Y

S

V

A

A

A

A

T

I

T

R

A

A

N

A

E

Q

L

L

G

G

L

Q

T

K

V

V

L

T

M

I

V

V

N
x
E

A
x
K

G
|
G

L

-

D
x
N

I
x
L

G
|
G

G
|
G

T
x
V

C
|
C

V

L

N

N

V

V

G

G

C

C

V

I

P

P

S

S

K
|
K

H

A

L

L

I

I

R

S

A

A

A

S

E

H

Q

R

V

Y

H

E

R

Q

A

A

Q

K

H

H

S

S

P

E

F

E

N

M

G

G

V

I

S

K

G

A

A

E

N

N

P

V

T

T

F

I

D

D

F

F

K

-

A

A

T

K

I

V

Q

Q

Q

E

K

W

K

K

E

-

L

-

V

-

A

A

A

S

L

V

Q

V

K

K

K

K

K

L

Y

T

L

G

G

G

V

V

V

E

G

G

D

L

L

L

-

K

-

G

D

N

N

K

I

V

T

E

I

I

L

V

E

K

G

G

W

E

A

A

R

Y

F

F

V

V

D

D

A

A

H

N

T

T

I

V

E

R

V

V

-

V

D

N

G

G

K

D

P

S

Y

A

K

Q

G

T

M

Y

K

T

Y

F

L

K

L

N

A

A

T

I

G

I

A

A

T

T

T

G

N

S

V

R

P

P

-

I

D

E

L

L

P

P

G

N

L

F

E

K

D

F

V

S

G

N

Y

R

L

I

T

L

N

D

E

S

T

T

-

G

L

A

F

L

D

N

L

L

E

G

E

E

Q

V

P

P

E

K

H

S

L

L

I

V

V

V

L

I

G

G

A

G

G

G

Y

Y

I

I

A

G

L

I

E

E

I

L

A

G

Q

T

A

A

Y

Y

H

A

R

N

F

F

G

G

T

T

K

K

V

V

T

T

M

I

L

L

H

E

R

G

S

A

E

G

R

E

I

I

L

L

R

S

T

G

Q

F

A

E

A

K

D

Q

I

M

T

A

D

A

D

I

L

I

T

K

S

K

H

R

F

L

T

K

E

K

E

K

G

G

I

V

E

E

V

V

H

V

T

T

N

N

V

A

S

L

I

A

Q

K

K

G

F

A

E

E

K

E

N

R

G

E

D

D

A

G

I

V

V

T

-

V

-

T

-

Y

-

E

A

A

H

N

T

G

N

E

E

T

G

K

T

T

F

I

E

D

A

A

S

D

H

Y

V

V

L

L

V

V

A

T

T

V

G

G

T

R

R

R

P

P

N

N

T

T

S

D

G

E

L

L

A

G

I

L

E

E

N

Q

A

I

G

G

V

I

N

K

L

M

N

T

K

N

T

R

G

G

H

L

I

I

L

E

V

V

N

D

T

Q

K

Q

Q

C

E

R

T

T

N

S

V

V

G

P

H

N

I

I

Y

F

A

A

A

I

G

G

D
|
D

C

I

T

V

D

P

T

G

P

P

A

A

F

L

V
x
A

Y

H

T

K

A

A

A

S

K

Y

E

E

G

G

K

K

V

V

A

A

V

A

L

-

N

E

A

A

F

I

Q

A

S

G

T

H

G

P

D

S

M

A

V

V

D

D

Y

Y

T

V

G

A

L

I

P

P

W

A

V

V

V

V

F

F

T

S

D

D

P

P

Q

E

I

C

A

A

G

S

A

V

G

G

L

Y

D

F

E

E

K

Q

E

Q

A

A

E

K

E

D

A

E

G

G

I

I

P

D

Y

V

E

I

T

A

S

A

V

K

M

F

P

P

L

F

T

A

E

A

V

N

P

G

R

R

A

A

Q

L

A

A

A

L

L

N

D

D

T

T

R

D

G

G

V

F

I

L

K

K

L

L

I

V

R

V

N

R

S

K

E

E

T

D

D

G

K

V

L

I

I

I

G

G

G

A

R

Q

I

I

I

I

A

G

P

P

E

N

G

A

G

S

E

D

L

M

A

I

M

A

Q

E

V

L

S

G

L

L

A

A

I

I

K

E

A

A

G

G

M

M

T

T

I

A

Q

E

E

D

L

I

A

A

D

L

A

T

F

I

H

H

P

A

Y

H

L

P

T

T

L

L

S

G

E

E

39:47 (vs. 217:226, 40% identical) binding
K56 (= K235) binding
D314 (= D488) binding
A322 (≠ V496) binding

1ebdA Dihydrolipoamide dehydrogenase complexed with the binding domain of the dihydrolipoamide acetylase (see paper)
36% identity, 68% coverage: 187:626/647 of query aligns to 3:445/455 of 1ebdA

query
sites
1ebdA

Q

E

H

T

D

E

L

T

I

L

I

V

I
x
V

G
|
G

G

A

G
|
G

S
x
P

A
x
G

A

G

F

Y

S

V

A

A

A

A

T

I

T

R

A

A

N

A

E

Q

L

L

G

G

L

Q

T

K

V

V

L

T

M

I

V
|
V

N
x
E

A
x
K

G

G

L

-

D

N

I
x
L

G

G

G
|
G

T
x
V

C
|
C

V

L

N

N

V
|
V

G
|
G

C
|
C

V

I

P

P

S
|
S

K
|
K

H

A

L

L

I

I

R

S

A

A

A

S

E

H

Q

R

V

Y

H

E

R

Q

A

A

Q

K

H

H

S

S

P

E

F

E

N

M

G

G

V

I

S

K

G

A

A

E

N
|
N

P
x
V

T

T

F

I

D

D

F

F

K

-

A

A

T

K

I

V

Q

Q

Q

E

K

W

K

K

E

-

L

-

V

-

A

A

A

S

L

V

Q

V

K

K

K

K

K

L

Y

T

L

G

G

G

V

V

V

E

G

G

D

L

L

L

-

K

-

G

D

N

N

K

I

V

T

E

I

I

L

V

E

K

G
|
G

W
x
E

A
|
A

R

Y

F

F

V

V

D

D

A

A

H

N

T

T

I

V

E

R

V

V

-

V

D

N

G

G

K

D

P

S

Y

A

K

Q

G

T

M

Y

K

T

Y

F

L

K

L

N

A

A

T

I

G

I

A
|
A

T
|
T

T
x
G

N

S

V

R

P

P

-

I

D

E

L

L

P

P

G

N

L

F

E

K

D

F

V

S

G

N

Y

R

L

I

T

L

N

D

E
x
S

T

T

-

G

L

A

F

L

D

N

L

L

E

G

E

E

Q

V

P

P

E

K

H

S

L

L

I

V

V

V

L

I

G

G

A

G

G

G

Y
|
Y

I
|
I

A

G

L

I

E
|
E

I

L

A

G

Q

T

A

A

Y

Y

H

A

R

N

F

F

G

G

T

T

K

K

V

V

T

T

M

I

L

L

H

E

R

G