SitesBLAST

C54 (= C42) mutation to A: Colorless protein, no 4Fe-4S centers, no cobalamin reductase activity.
C264 (= C255) mutation to A: Colorless protein, no 4Fe-4S centers, no cobalamin reductase activity.
C267 (= C258) mutation to A: Colorless protein, no 4Fe-4S centers, no cobalamin reductase activity.
C270 (= C261) mutation to A: Colorless protein, no 4Fe-4S centers, no cobalamin reductase activity.
C274 (= C265) mutation to A: Colorless protein, no 4Fe-4S centers, no cobalamin reductase activity.
C309 (= C299) mutation to A: Colorless protein, no 4Fe-4S centers, no cobalamin reductase activity.
C312 (= C302) mutation to A: Colorless protein, no 4Fe-4S centers, no cobalamin reductase activity.
C315 (= C305) mutation to A: Colorless protein, no 4Fe-4S centers, no cobalamin reductase activity.
C320 (= C310) mutation to A: Colorless protein, no 4Fe-4S centers, no cobalamin reductase activity.

7zc6C Na+ - translocating ferredoxin: NAD+ reductase (rnf) of c. Tetanomorphum (see paper)
33% identity, 69% coverage: 5:311/442 of query aligns to 123:415/435 of 7zc6C

query
sites
7zc6C

I

I

V

I

E

N

K

I

I

I

R

K

E

E

T

A

G

G

V

I

V

V

G
|
G

A

M

G

G

A

A

G

T

L

F

P

P

T

T

H

H

V

V

K
|
K

-

L

-

A

-

P

A

P

E

D

A

K

T

N

V

I

D

D

T

S

V

I

L

V

V

V

N
|
N

G

A

A

A

S

E

C
|
C

E

E

P

P

L

Y

L

L

M

T

S

C

D

D

P

H

Y

R

L

M

M

M

E

L

A

E

E

K

I

T

D

N

V

E

V

I

I

V

R

E

G

G

L

L

E

K

A

I

I

V

L

L

D

K

C

L

T

F

G

P

A

K

K

A

K

T

G

G

I

Y

I

I

C

G

L

I

K

E

G

D

K

N

H

K

H

M

K

N

A

A

L

I

V

K

S

A

V

M

K

Q

E

E

A

A

V

V

A

-

K

-

D

K

T

N

S

I

G

A

R

N

L

I

E

E

Y

V

F

K

E

A

L

V

K

K

D

T

F

K

Y

Y

P

P

A

Q

G
|
G

D
x
A

E

E

H

K

V

Q

L

L

V

I

H

Y

E

A

V

I

L

T

G

K

R

R

T

E

V

V

P

P

E

S

R

G

G

G

I

L

P

P

L

A

Q

D

V

A

G

G

A

C

V

I

V

V

S
x
Q

N
|
N

V

V

E

D

S

T

L

I

L

Y

N

E

V

I

A

Y

Y

N

A

A

M

V

E

V

D

N

-

G

I

K

P

P

V

L

T

T

H

S

R

R

Y

V

L

V

T

T

V

V

A

T

G

G

E

D

-

A

I

I

K

K

T

E

P

P

M

K

V

N

V

L

K

R

V

F

P

K

V

I

G

G

T

T

L

S

V

V

S

R

D

E

V

L

L

V

N

E

F

A

A

A

G

G

P

F

L

A

I

E

S

E

D

P

Y

L

K

K

V

V

V

I

D

S

G

G

P

P

M

M

M
|
M

G

G

R

M

V

A

L

M

P

Y

D

S

I

L

N

D

Q

V

S

P

V

S

T

T

K

K

T

G

T

T

S

S

G

G

L

V

L

L

V

C

L

L

P

-

D

-

H

-

T

-

V

-

A

-

G

-

K

-

I

T

K

K

D

K

P

V

E

A

K

E

I

I

R

E

I

E

T

S

N

N

T

-

V

-

C
|
C

C
x
I

Q

N

C
|
C

S

G

R

K

C
|
C

T

V

D

Q

L

V

C
|
C

P

P

R

M

N

N

L

L

L

M

G

P

H
x
T

S

K

L

L

H

A

P

T

H

A

K

S

L

A

M

V

R

S

V

N

L

L

D

D

S

-

Q

-

V

M

L

F

N

N

S

E

E

F

I

S

A

G

K

R

E

D

A

-

L

-

C
|
C

S

I

E
|
E

C
|
C

G

G

I

C

C
|
C

E

S

K

-

F

F

A

V

C
|
C

P

P

binding flavin mononucleotide: G134 (= G16), K145 (= K27), N160 (= N38), C164 (= C42), G235 (= G115), A236 (≠ D116), Q263 (≠ S143), N264 (= N144), M331 (= M209), C407 (= C302)
binding iron/sulfur cluster: C365 (= C255), I366 (≠ C256), C368 (= C258), C371 (= C261), C375 (= C265), T382 (≠ H272), C404 (= C299), E406 (= E301), C407 (= C302), C410 (= C305), C414 (= C310)

8rbqC Cryo-em structure of the nadh:ferredoxin oxidoreductase rnf from azotobacter vinelandii, dithionite reduced (see paper)
30% identity, 76% coverage: 5:339/442 of query aligns to 127:446/477 of 8rbqC

query
sites
8rbqC

I

L

V

A

E

D

K

R

I

V

R

A

E

K

T

A

G

G

V

I

V

V

G
|
G

A

L

G
|
G

G

G

A

A

G

I

L

F

P

P

T

A

H

A

V

V

K

K

A

L

E

K

A

Q

-

G

-

T

-

R

-

H

T

E

V

I

D

K

T

T

V

V

L

L

V

V

N
|
N

G

G

A

S

S

E

C
|
C

E

E

P

P

L

Y

L

L

M

T

S

C

D

D

P

D

Y

R

L

I

M

M

E

R

A

E

E

R

I

A

D

E

V

A

V

I

I

V

R

D

G

G

L

A

E

R

A

L

I

I

L

Q

D

H

C

I

T

L

G

R

A

A

K

Y

K

S

G

V

I

V

I

I

C

A

L

I

K

E

G

-

K

-

H

D

H

N

K

K

A

P

L

E

V

A

S

L

V

A

K

A

E

M

A

R

V

A

A

A

K

A

D

E

T

H

S

F

G

G

R

A

L

I

E

E

Y

V

F

M

E

A

L

V

K

P

D

A

F

L

Y

Y

P

P

A

M

G
|
G

D
x
S

E

A

H

K

V

Q

L

L

V

I

H

Q

E

A

V

V

L

T

G

G

R

R

T

E

V

V

P

P

E

A

R

G

G

G

I

R

P

S

L

T

Q

D

V

V

G

G

A

V

V

L

V

V

S

H

N
|
N

V

A

E

G

S

T

L

V

L

Y

N

A

V

I

A

Q

Y

Q

A

A

M

L

E

R

-

F

D

G

I

R

P

P

V

L

T

I

H

S

R

R

Y

V

L

V

T

T

V

V

A

S

G

G

E

A

-

C

I

V

K

K

T

T

P

P

M

Q

V

N

V

L

K

D

V

V

P

L

V

I

G

G

T

T

L

P

V

V

S

Q

D

A

V

L

L

I

N

D

F

A

A

C

G

G

P

L

L

S

I

G

S

D

D

P

Y

Q

K

Q

V

L

D

L

G

G

P

P

M

M

G

G

R

A

V

V

L

L

P

P

D

S

I

T

N

E

Q

V

S

P

V

V

T

I

K

K

T

G

T

A

S

T

G

G

L

L

V

A

L

L

P

-

P

A

D

R

H

H

T

E

V

L

V

-

A

-

G

-

K

P

I

N

K

K

D

D

P

P

E

A

K

P

I

-

R

-

I

-

T

-

N

-

T

-

V

-

C
|
C

C
x
I

Q
x
R

C
|
C

S
x
A

R

S

C
|
C

T

V

D

D

L

A

C
|
C

P
|
P

R

M

N

G

L
|
L

L

T

G

-

H

-

S

-

L

-

H

-

P

-

H

-

K

P

L

L

M

D

R

M

V

A

L

L

D

Y

S

A

Q

R

V

A

L

D

N

D

S

Y

E

D

I

G

A

A

K

S

E

E

A

Y

L

G

L

L

-

R

-

D

C
|
C

S
x
I

E
x
L

C
|
C

G

G

I

C

C
|
C

E

-

K

S

F

Y

A

V

C
|
C

P
|
P

M
x
S

M

H

I

I

S

-

P

P

R

L

E

V

V

H

N

Y

A

F

Q

Q

I

Y

K

A

K

K

V

G

L

Q

M

Q

Q

D

E

E

R

R

I

R

T

S

W

A

E

A

S

R

K

K

G

S

E

D

binding flavin mononucleotide: G138 (= G16), G140 (= G18), N164 (= N38), C168 (= C42), G239 (= G115), S240 (≠ D116), N268 (= N144), C411 (= C302)
binding iron/sulfur cluster: C369 (= C255), I370 (≠ C256), R371 (≠ Q257), C372 (= C258), A373 (≠ S259), C375 (= C261), C379 (= C265), P380 (= P266), L383 (= L269), C408 (= C299), I409 (≠ S300), L410 (≠ E301), C411 (= C302), C414 (= C305), C418 (= C310), P419 (= P311), S420 (≠ M312)

8rbmC Cryo-em structure of the nadh:ferredoxin oxidoreductase rnf from azotobacter vinelandii, ferricyanide oxidized (see paper)
30% identity, 76% coverage: 5:339/442 of query aligns to 127:446/446 of 8rbmC

query
sites
8rbmC

I

L

V

A

E

D

K

R

I

V

R

A

E

K

T

A

G

G

V

I

V

V

G
|
G

A

L

G
|
G

G

G

A

A

G

I

L

F

P

P

T

A

H

A

V

V

K

K

A

L

E

K

A

Q

-

G

-

T

-

R

-

H

T

E

V

I

D

K

T

T

V

V

L

L

V

V

N
|
N

G

G

A

S

S

E

C
|
C

E

E

P

P

L

Y

L

L

M

T

S

C

D

D

P

D

Y

R

L

I

M

M

E

R

A

E

E

R

I

A

D

E

V

A

V

I

I

V

R

D

G

G

L

A

E

R

A

L

I

I

L

Q

D

H

C

I

T

L

G

R

A

A

K

Y

K

S

G

V

I

V

I

I

C

A

L

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K

E

G

-

K

-

H

D

H

N

K

K

A

P

L

E

V

A

S

L

V

A

K

A

E

M

A

R

V

A

A

A

K

A

D

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T

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S

F

G

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R

A

L

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E

E

Y

V

F

M

E

A

L

V

K

P

D

A

F

L

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Y

P

P

A

M

G
|
G

D
x
S

E

A

H

K

V

Q

L

L

V

I

H

Q

E

A

V

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L

T

G

G

R

R

T

E

V

V

P

P

E

A

R

G

G

G

I

R

P

S

L

T

Q

D

V

V

G

G

A

V

V

L

V

V

S
x
H

N
|
N

V

A

E

G

S

T

L

V

L

Y

N

A

V

I

A

Q

Y

Q

A

A

M

L

E

R

-

F

D

G

I

R

P

P

V

L

T

I

H

S

R

R

Y

V

L

V

T

T

V

V

A

S

G

G

E

A

-

C

I

V

K

K

T

T

P

P

M

Q

V

N

V

L

K

D

V

V

P

L

V

I

G

G

T

T

L

P

V

V

S

Q

D

A

V

L

L

I

N

D

F

A

A

C

G

G

P

L

L

S

I

G

S

D

D

P

Y

Q

K

Q

V

L

D

L

G

G

P

P

M

M

M
|
M

G

G

R

A

V

V

L

L

P

P

D

S

I

T

N

E

Q

V

S

P

V

V

T

I

K

K

T

G

T

A

S

T

G

G

L

L

V

A

L

L

P

-

P

A

D

R

H

H

T

E

V

L

V

-

A

-

G

-

K

P

I

N

K

K

D

D

P

P

E

A

K

P

I

-

R

-

I

-

T

-

N

-

T

-

V

-

C
|
C

C
x
I

Q
x
R

C
|
C

S
x
A

R
x
S

C
|
C

T

V

D

D

L

A

C
|
C

P
|
P

R

M

N

G

L
|
L

L

T

G

-

H

-

S

-

L

-

H

-

P

-

H

-

K

P

L

L

M

D

R

M

V

A

L

L

D

Y

S

A

Q
x
R

V

A

L

D

N

D

S

Y

E

D

I

G

A

A

K

S

E

E

A

Y

L

G

L

L

-

R

-

D

C
|
C

S
x
I

E
x
L

C
|
C

G

G

I

C

C
|
C

E

-

K

S

F

Y

A

V

C
|
C

P
|
P

M
x
S

M

H

I

I

S

-

P

P

R

L

E

V

V
x
H

N
x
Y

A

F

Q

Q

I
x
Y

K

A

K

K

V

G

L

Q

M

Q

Q
x
D

E
|
E

R

R

I

R

T

S

W

A

E

A

S

R

K

K

G

S

E

D

binding flavin mononucleotide: G138 (= G16), G140 (= G18), N164 (= N38), C168 (= C42), G239 (= G115), S240 (≠ D116), H267 (≠ S143), N268 (= N144), M335 (= M209), C411 (= C302)
binding iron/sulfur cluster: C369 (= C255), I370 (≠ C256), R371 (≠ Q257), C372 (= C258), A373 (≠ S259), S374 (≠ R260), C375 (= C261), C379 (= C265), P380 (= P266), L383 (= L269), C408 (= C299), I409 (≠ S300), L410 (≠ E301), C411 (= C302), C414 (= C305), C418 (= C310), P419 (= P311), S420 (≠ M312)
binding : R393 (≠ Q286), H426 (≠ V319), Y427 (≠ N320), Y430 (≠ I323), D436 (≠ Q329), E437 (= E330)

Sites not aligning to the query:

binding : 91, 93, 95

7p61F Complex i from e. Coli, ddm-purified, with nadh, resting state (see paper)
24% identity, 63% coverage: 5:284/442 of query aligns to 50:372/442 of 7p61F

query
sites
7p61F

I

I

V

V

E

N

K

Q

I

V

R

K

E

D

T

A

G

G

V

L

V

K

G
|
G

A

R

G
|
G

A
|
A

G

G

L
x
F

P

S

T

T

H

G

V

L

K
|
K

A

W

E

S

-
x
L

-

M

-

P

-

K

-

D

-

E

-

S

A

M

T

N

V

I

D

R

T

Y

V

L

L

L

V

C

N
|
N

G

A

A
x
D

S

E

C

M

E
|
E

P

P

L

G

L

T

M

Y

S

K

D

D

P

R

Y

L

L

L

M

M

E

E

A

Q

E

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P

D

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L

I

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E

G

G

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E

L

A

I

I

S

L

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F

C

A

T

L

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K

A

A

K

Y

K

R

G

G

I

Y

I

I

C

F

L

L

K

R

G

G

K

E

H

Y

H

I

K

E

A

A

L

A

V

V

S

N

V

L

K

R

E

R

A

A

V

I

A

A

K

E

D

A

T

T

S

E

G

A

R

G

L

L

-

L

-

G

-

K

-

N

-

I

-

M

-

G

E

T

Y

G

F

F

E

D

L

F

K

E

D

L

F

F

-

V

-

H

-

T

-

G

-

A

-

G

-

R

Y
|
Y

P

I

A

C

G
|
G

D
x
E

E
|
E

H

T

V

A

L

L

V

I

H

N

E

S

V

L

L

E

G

G

R

R

T

R

V

A

P

N

E

P

R

R

G

S

-

K

-

P

I
x
F

P

P

L

A

Q

T

V

S

G

G

A

A

V

W

-

G

-

K

-

P

-

T

-

C

V

V

S
x
N

N
|
N

V

V

E

E

S

T

L

L

L

C

N

N

V

V

A

P

Y

A

A

I

M

L

-

A

-

N

-

G

-

V

-

E

-

W

-

Y

E

Q

D

N

I

I

P

S

V

K

T

S

H

K

-

D

-

A

-

G

-

T

R

K

Y

L

L

M

T

G

V

F

A

S

G

G

E

R

I

V

K

K

T

N

P

P

M

G

V

L

V

W

K

E

V

L

P

P

V

F

G

G

T

T

L

T

V

A

S

R

D

E

V

I

L

L

-

E

N

D

F

Y

A

A

G

G

P

-

L

-

I

M

S

R

D

D

-

G

-

L

-

K

Y

F

K

K

V

A

V

W

D

Q

G

P

G

G

P

G

M

A

M

G

G

T

R

D

V

F

L

L

P

T

D

E

I

A

N

H

-

L

-

D

-

L

-

P

-

M

-

E

-

F

Q

E

S

S

V

I

T

G

K

K

T

A

T

G

S

S

G
x
R

L

L

-

G

-
x
T

-

A

L

L

V

A

L

M

P

A

P

V

D

D

H

H

T

E

V

I

-

N

V

M

A

V

G

S

K

L

I

V

K

R

D

N

P

L

E

E

K

E

I

F

R

-

I

F

T

A

N

R

T

E

V
x
S

C
|
C

C

G

Q
x
W

C
|
C

S

T

R

P

C
|
C

T

R

D

D

L

G

C

L

P

P

R

W

N

S

L

V

L

-

G

-

H

-

S

-

L

-

H

-

P

-

H

-

K

K

L

I

M

L

R

R

V

A

L

L

D

E

binding flavin mononucleotide: G61 (= G16), G63 (= G18), K72 (= K27), N90 (= N38), D92 (≠ A40), G181 (= G115), E182 (≠ D116), N217 (≠ S143), N218 (= N144)
binding 1,4-dihydronicotinamide adenine dinucleotide: G63 (= G18), G64 (= G19), A65 (= A20), F67 (≠ L22), K72 (= K27), L75 (vs. gap), E95 (= E43), Y178 (= Y112), E183 (= E117), F203 (≠ I134), R320 (≠ G226), T323 (vs. gap)
binding iron/sulfur cluster: S350 (≠ V254), C351 (= C255), W353 (≠ Q257), C354 (= C258), C357 (= C261)

Sites not aligning to the query:

4hea1 Crystal structure of the entire respiratory complex i from thermus thermophilus (see paper)
25% identity, 46% coverage: 5:206/442 of query aligns to 52:293/437 of 4hea1

query
sites
4hea1

I

V

V

I

E

E

K

E

I

V

R

K

E

R

T

S

G

G

V

L

V

R

G
|
G

A

R

G

G

A

A

G

G

L

F

P

P

T

T

H

G

V

L

K
|
K

A

W

-

S

-

F

-

M

-

P

-

K

-

D

E

D

A

G

T

K

V

Q

D

H

T

Y

V

L

L

I

V

C

N
|
N

G

A

A
x
D

S

E

C

S

E

E

P

P

L

G

L

S

M

F

S

K

D

D

P

R

Y

Y

L

I

M

L

E

E

A

D

E

V

I

P

D

H

V

L

I

I

R

E

G

G

L

M

E

I

A

L

I

A

L

G

D

Y

C

A

T

I

G

R

A

A

K

T

K

V

G

G

I

Y

I

I

C

Y

L

V

K

R

G

G

K

E

H

Y

H

R

K

R

A

A

L

A

-

D

-

R

-

L

-

E

V

Q

S

A

V

I

K

K

E

E

A

A

V

R

A

A

K

R

D

G

T

Y

S

L

G

G

R

K

L

N

E

L

Y

F

-

G

-

T

-

D

-

F

-

S

F

F

E

D

L

L

K

H

-

V

-

H

-

R

-

G

-

A

D

G

F

A

Y
|
Y

P
x
I

A

C

G
|
G

D
x
E

E

E

H

T

V

A

L

L

V

M

H

N

E

S

V

L

L

E

G

G

R

L

T

R

V

A

P

N

E
x
P

R

R

-

L

-

K

-

P

G

P

I

F

P

P

L

A

Q

Q

V

S

G

G

-

L

-

W

-

G

-

K

-

P

A

T

V

T

V

I

S
x
N

N
|
N

V

V

E

E

S

T

L

L

L

A

N

S

V

V

A

V

Y

P

A

I

M

M

E

E

-

R

-

G

-

A

-

D

-

W

-

F

-

A

-

Q

-

M

-

G

-

T

D

E

I

Q

P

S

V

K

T

G

H

M

R

K

Y

L

L

Y

T

Q

V

I

A

S

G

G

E

P

I

V

K

K

T

R

P

P

M

G

V

V

V

Y

K

E

V

L

P

P

V

M

G

G

T

T

L

T

V

F

S

R

D

E

-

L

V

I

L

Y

N

E

F

W

A

A

G

G

P

P

L

L

I

E

S

P

D

I

Y

Q

K

A

V

I

D

P

G

G

binding flavin mononucleotide: G63 (= G16), K74 (= K27), N91 (= N38), D93 (≠ A40), Y179 (= Y112), G182 (= G115), E183 (≠ D116), N218 (≠ S143), N219 (= N144)
binding iron/sulfur cluster: I180 (≠ P113), P198 (≠ E131)

Sites not aligning to the query:

binding flavin mononucleotide: 401
binding iron/sulfur cluster: 351, 352, 353, 354, 355, 358, 398, 399, 401

2ybb1 Fitted model for bovine mitochondrial supercomplex i1iii2iv1 by single particle cryo-em (emd-1876) (see paper)
25% identity, 46% coverage: 5:206/442 of query aligns to 52:293/437 of 2ybb1

query
sites
2ybb1

I

V

V

I

E

E

K

E

I

V

R

K

E

R

T

S

G

G

V

L

V

R

G
|
G

A

R

G
|
G

A

A

G

G

L
x
F

P

P

T

T

H

G

V

L

K
|
K

A

W

-

S

-
x
F

-

M

-

P

-

K

-

D

E

D

A

G

T

K

V

Q

D

H

T

Y

V

L

L

I

V

C

N
|
N

G

A

A
x
D

S

E

C

S

E
|
E

P

P

L

G

L

S

M

F

S

K

D

D

P

R

Y

Y

L

I

M

L

E

E

A

D

E

V

I

P

D

H

V

L

I

I

R

E

G

G

L

M

E

I

A

L

I

A

L

G

D

Y

C

A

T

I

G

R

A

A

K

T

K

V

G

G

I

Y

I

I

C

Y

L

V

K

R

G

G

K

E

H

Y

H

R

K

R

A

A

L

A

-

D

-

R

-

L

-

E

V

Q

S

A

V

I

K

K

E

E

A

A

V

R

A

A

K

R

D

G

T

Y

S

L

G

G

R

K

L

N

E

L

Y

F

-

G

-

T

-

D

-

F

-

S

F

F

E

D

L

L

K

H

-

V

-

H

-

R

-

G

-

A

D

G

F

A

Y
|
Y

P

I

A

C

G
|
G

D
x
E

E
|
E

H

T

V

A

L

L

V

M

H

N

E

S

V

L

L

E

G

G

R

L

T

R

V

A

P

N

E

P

R

R

-

L

-
x
K

-

P

G

P

I
x
F

P

P

L

A

Q

Q

V

S

G

G

-

L

-

W

-

G

-

K

-

P

A

T

V

T

V

I

S
x
N

N
|
N

V

V

E

E

S
x
T

L

L

L

A

N

S

V

V

A

V

Y

P

A

I

M

M

E

E

-

R

-

G

-

A

-

D

-

W

-

F

-

A

-

Q

-

M

-

G

-

T

D

E

I

Q

P

S

V

K

T

G

H

M

R

K

Y

L

L

Y

T

Q

V

I

A

S

G

G

E

P

I

V

K

K

T

R

P

P

M

G

V

V

V

Y

K

E

V

L

P

P

V

M

G

G

T

T

L

T

V

F

S

R

D

E

-

L

V

I

L

Y

N

E

F

W

A

A

G

G

P

P

L

L

I

E

S

P

D

I

Y

Q

K

A

V

I

D

P

G

G

binding flavin mononucleotide: G63 (= G16), G65 (= G18), N91 (= N38), D93 (≠ A40), G182 (= G115), E183 (≠ D116), E184 (= E117), N218 (≠ S143), N219 (= N144), T222 (≠ S147)
binding 1,4-dihydronicotinamide adenine dinucleotide: G65 (= G18), G66 (= G19), F69 (≠ L22), K74 (= K27), F77 (vs. gap), E96 (= E43), Y179 (= Y112), E184 (= E117), K201 (vs. gap), F204 (≠ I134)

Sites not aligning to the query:

Q56222 NADH-quinone oxidoreductase subunit 1; NADH dehydrogenase I chain 1; NDH-1 subunit 1; EC 7.1.1.- from Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8) (see paper)
25% identity, 46% coverage: 5:206/442 of query aligns to 53:294/438 of Q56222

query
sites
Q56222

I

V

V

I

E

E

K

E

I

V

R

K

E

R

T

S

G

G

V

L

V

R

G

G

A

R

G

G

A

A

G

G

L

F

P

P

T

T

H

G

V

L

K
|
K

A

W

-

S

-

F

-

M

-

P

-

K

-

D

E

D

A

G

T

K

V

Q

D

H

T

Y

V

L

L

I

V

C

N
|
N

G
x
A

A
x
D

S
x
E

C
x
S

E

E

P

P

L

G

L

S

M

F

S

K

D

D

P

R

Y

Y

L

I

M

L

E

E

A

D

E

V

I

P

D

H

V

L

I

I

R

E

G

G

L

M

E

I

A

L

I

A

L

G

D

Y

C

A

T

I

G

R

A

A

K

T

K

V

G

G

I

Y

I

I

C

Y

L

V

K

R

G

G

K

E

H

Y

H

R

K

R

A

A

L

A

-

D

-

R

-

L

-

E

V

Q

S

A

V

I

K

K

E

E

A

A

V

R

A

A

K

R

D

G

T

Y

S

L

G

G

R

K

L

N

E

L

Y

F

-

G

-

T

-

D

-

F

-

S

F

F

E

D

L

L

K

H

-

V

-

H

-

R

-

G

-

A

D

G

F

A

Y
|
Y

P
x
I

A
x
C

G
|
G

D
x
E

E
|
E

H

T

V

A

L

L

V

M

H

N

E

S

V

L

L

E

G

G

R

L

T

R

V

A

P

N

E

P

R

R

-

L

-

K

-

P

G

P

I

F

P

P

L

A

Q

Q

V

S

G

G

-

L

-

W

-

G

-

K

-

P

A

T

V

T

V
x
I

S
x
N

N
|
N

V

V

E

E

S

T

L

L

L

A

N

S

V

V

A

V

Y

P

A

I

M

M

E

E

-

R

-

G

-

A

-

D

-

W

-

F

-

A

-

Q

-

M

-

G

-

T

D

E

I

Q

P

S

V

K

T

G

H

M

R

K

Y

L

L

Y

T

Q

V

I

A

S

G

G

E

P

I

V

K

K

T

R

P

P

M

G

V

V

V

Y

K

E

V

L

P

P

V

M

G

G

T

T

L

T

V

F

S

R

D

E

-

L

V

I

L

Y

N

E

F

W

A

A

G

G

P

P

L

L

I

E

S

P

D

I

Y

Q

K

A

V

I

D

P

G

G

K75 (= K27) binding FMN
NADES 92:96 (≠ NGASC 38:42) binding FMN
YICGEE 180:185 (≠ YPAGDE 112:117) binding FMN
INN 218:220 (≠ VSN 142:144) binding FMN

Sites not aligning to the query:

353 binding [4Fe-4S] cluster
356 binding [4Fe-4S] cluster
359 binding [4Fe-4S] cluster
400 binding [4Fe-4S] cluster

8qgwB Crystal structure of oxidized respiratory complex i subunits nuoef from aquifex aeolicus bound to oxidized 3-acetylpyridine adenine dinucleotide (see paper)
25% identity, 43% coverage: 5:196/442 of query aligns to 52:282/418 of 8qgwB

query
sites
8qgwB

I

I

V

I

E

D

K

W

I

V

R

D

E

K

T

S

G

T

V

L

V

R

G
|
G

A

R

G
|
G

A
|
A

G

G

L
x
F

P

P

T

T

H

G

V

K

K
|
K

A

W

E

K

A

F

T

A

V

V

D

Q

T

N

-

P

-

G

-

P

-

R

-

Y

V

F

L

I

V

C

N
|
N

G

A

A

D

S
x
E

C

S

E

E

P

P

L

G

L

T

M

F

S

K

D

D

P

R

Y

I

L

I

M

I

E

E

A

R

E

D

I

P

D

H

V

L

I

I

R

E

G

G

L

I

E

I

A

I

I

S

L

S

D

Y

C

A

T

I

G

G

A

A

K

N

K

E

G

A

I

Y

I

I

C

Y

L

I

K

R

G

G

K

E

H

Y

H

P

K

A

A

G

L

Y

V

Y

-

I

-

L

-

R

-

D

S

A

V

I

K

E

E

E

A

A

V

K

A

K

K

K

D

G

T

F

S

L

G

G

R

K

L

N

-

I

-

L

-

G

E

S

Y

G

F

F

E

D

L

L

K

E

D

I

F

Y

-

V

-

A

-

R

-

G

-

A

-

G

-

A

Y
|
Y

P

I

A

C

G
|
G

D
x
E

E
|
E

H

T

V

A

L

L

V

I

H

E

E

S

V

L

L

E

G

G

R

K

T

R

V

G

P

H

E
x
P

R

R

-

L

-

K

-

P

G

P

I
x
Y

P

P

L

V

Q

Q

V

K

G

G

-

L

-

W

-

G

-

K

-

P

A

T

V

V

V
|
V

S
x
N

N
|
N

V

V

E

E

S
x
T

L

I

L

A

N

N

V

V

A

P

Y

F

A

I

M

I

E

S

D

M

I

G

P

W

V

E

T

E

H

Y

R

R

Y

Y

-

I

-

G

-

P

-

S

-

D

-

Y

-

A

-

G

-

P

-

K

-

L

L

F

T

P

V

V

A

S

G

G

E

K

I

V

K

K

T

K

P

P

M

G

V

V

V

Y

K

E

V

L

P

P

V

M

G

N

T

T

L

T

V

L

S

R

D

E

V

V

-

I

L

F

N

K

F

Y

A

A

G

G

P

T

L

L

binding 3-acetylpyridine adenine dinucleotide: G66 (= G19), A67 (= A20), F69 (≠ L22), K74 (= K27), E183 (= E117), Y203 (≠ I134)
binding flavin mononucleotide: G63 (= G16), G65 (= G18), K74 (= K27), N90 (= N38), E93 (≠ S41), Y178 (= Y112), G181 (= G115), E182 (≠ D116), E183 (= E117), V216 (= V142), N217 (≠ S143), N218 (= N144), T221 (≠ S147)
binding iron/sulfur cluster: P197 (≠ E131)

Sites not aligning to the query:

binding iron/sulfur cluster: 344, 345, 346, 347, 348, 351, 390, 391, 393, 394

6q9cB Crystal structure of aquifex aeolicus nadh-quinone oxidoreductase subunits nuoe and nuof bound to nadh under anaerobic conditions (see paper)
25% identity, 43% coverage: 5:196/442 of query aligns to 53:283/418 of 6q9cB

query
sites
6q9cB

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N

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G

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x
N

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N

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binding flavin mononucleotide: G64 (= G16), G66 (= G18), K75 (= K27), N91 (= N38), D93 (≠ A40), E94 (≠ S41), G182 (= G115), E183 (≠ D116), E184 (= E117), V217 (= V142), N218 (≠ S143), N219 (= N144), T222 (≠ S147)
binding 1,4-dihydronicotinamide adenine dinucleotide: G66 (= G18), G67 (= G19), A68 (= A20), F70 (≠ L22), K75 (= K27), E94 (≠ S41), E96 (= E43), Y179 (= Y112), E184 (= E117), Y204 (≠ I134)
binding iron/sulfur cluster: P198 (≠ E131)

Sites not aligning to the query:

binding flavin mononucleotide: 393
binding iron/sulfur cluster: 345, 346, 347, 348, 349, 352, 391, 392, 394, 395

6saqB Wild-type nuoef from aquifex aeolicus bound to nadh-oh (see paper)
25% identity, 43% coverage: 5:196/442 of query aligns to 53:283/419 of 6saqB

query
sites
6saqB

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x
N

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T

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N

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binding flavin mononucleotide: G64 (= G16), G66 (= G18), K75 (= K27), N91 (= N38), D93 (≠ A40), E94 (≠ S41), Y179 (= Y112), G182 (= G115), E183 (≠ D116), N218 (≠ S143), N219 (= N144), T222 (≠ S147)
binding [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[[(1~{E},3~{Z})-5-azanyl-4-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-methanoyl-amino]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate: G66 (= G18), G67 (= G19), A68 (= A20), F70 (≠ L22), K75 (= K27), E94 (≠ S41), E96 (= E43), T99 (≠ L46), E184 (= E117), Y204 (≠ I134)
binding iron/sulfur cluster: P198 (≠ E131)

Sites not aligning to the query:

8qh7B Crystal structure of respiratory complex i subunits nuoef from aquifex aeolicus bound to reduced 3-acetylpyridine adenine dinucleotide (without reducing agent) (see paper)
25% identity, 43% coverage: 5:196/442 of query aligns to 52:282/417 of 8qh7B

query
sites
8qh7B

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binding acetyl pyridine adenine dinucleotide, reduced: G65 (= G18), G66 (= G19), A67 (= A20), F69 (≠ L22), K74 (= K27), E93 (≠ S41), E95 (= E43), Y178 (= Y112), E183 (= E117), Y203 (≠ I134)
binding 1-deoxy-1-(7,8-dimethyl-2,4-dioxo-3,4-dihydro-2h-benzo[g]pteridin-1-id-10(5h)-yl)-5-o-phosphonato-d-ribitol: G63 (= G16), G65 (= G18), K74 (= K27), N90 (= N38), D92 (≠ A40), E93 (≠ S41), G181 (= G115), E182 (≠ D116), V216 (= V142), N217 (≠ S143), N218 (= N144), T221 (≠ S147)
binding iron/sulfur cluster: P197 (≠ E131)

Sites not aligning to the query:

binding iron/sulfur cluster: 344, 345, 346, 347, 348, 351, 389, 390, 391, 393, 394

8qg1B Crystal structure of oxidized respiratory complex i subunits nuoef from aquifex aeolicus bound to adp-ribose (see paper)
25% identity, 43% coverage: 5:196/442 of query aligns to 52:282/417 of 8qg1B

query
sites
8qg1B

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binding adenosine-5-diphosphoribose: G66 (= G19), A67 (= A20), F69 (≠ L22), K74 (= K27), E183 (= E117), Y203 (≠ I134)
binding flavin mononucleotide: G63 (= G16), G65 (= G18), K74 (= K27), N90 (= N38), D92 (≠ A40), E93 (≠ S41), Y178 (= Y112), G181 (= G115), E182 (≠ D116), V216 (= V142), N217 (≠ S143), N218 (= N144), T221 (≠ S147)
binding iron/sulfur cluster: P197 (≠ E131)

Sites not aligning to the query:

binding iron/sulfur cluster: 344, 345, 346, 347, 348, 351, 390, 391, 393, 394

6hl3B Wild-type nuoef from aquifex aeolicus - oxidized form bound to NAD+ (see paper)
25% identity, 43% coverage: 5:196/442 of query aligns to 52:282/416 of 6hl3B

query
sites
6hl3B

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P

P

L

V

Q

Q

V

K

G

G

-

L

-

W

-

G

-

K

-

P

A

T

V

V

V
|
V

S
x
N

N
|
N

V

V

E

E

S
x
T

L

I

L

A

N

N

V

V

A

P

Y

F

A

I

M

I

E

S

D

M

I

G

P

W

V

E

T

E

H

Y

R

R

Y

Y

-

I

-

G

-

P

-

S

-

D

-

Y

-

A

-

G

-

P

-

K

-

L

L

F

T

P

V

V

A

S

G

G

E

K

I

V

K

K

T

K

P

P

M

G

V

V

V

Y

K

E

V

L

P

P

V

M

G

N

T

T

L

T

V

L

S

R

D

E

V

V

-

I

L

F

N

K

F

Y

A

A

G

G

P

T

L

L

binding flavin mononucleotide: G63 (= G16), G65 (= G18), K74 (= K27), N90 (= N38), D92 (≠ A40), E93 (≠ S41), G181 (= G115), E182 (≠ D116), E183 (= E117), V216 (= V142), N217 (≠ S143), N218 (= N144), T221 (≠ S147)
binding nicotinamide-adenine-dinucleotide: G65 (= G18), G66 (= G19), A67 (= A20), F69 (≠ L22), K74 (= K27), E95 (= E43), Y178 (= Y112), E183 (= E117), K200 (vs. gap), Y203 (≠ I134)
binding iron/sulfur cluster: I179 (≠ P113), P197 (≠ E131)

Sites not aligning to the query:

binding iron/sulfur cluster: 344, 345, 346, 347, 348, 351, 389, 390, 391, 393, 394

6hl2B Wild-type nuoef from aquifex aeolicus - oxidized form (see paper)
25% identity, 43% coverage: 5:196/442 of query aligns to 52:282/416 of 6hl2B

query
sites
6hl2B

I

I

V

I

E

D

K

W

I

V

R

D

E

K

T

S

G

T

V

L

V

R

G
|
G

A

R

G
|
G

G

G

A

A

G

G

L

F

P

P

T

T

H

G

V

K

K
|
K

A

W

E

K

A

F

T

A

V

V

D

Q

T

N

-

P

-

G

-

P

-

R

-

Y

V

F

L

I

V

C

N
|
N

G

A

A

D

S
x
E

C

S

E

E

P

P

L

G

L

T

M

F

S

K

D

D

P

R

Y

I

L

I

M

I

E

E

A

R

E

D

I

P

D

H

V

L

I

I

R

E

G

G

L

I

E

I

A

I

I

S

L

S

D

Y

C

A

T

I

G

G

A

A

K

N

K

E

G

A

I

Y

I

I

C

Y

L

I

K

R

G

G

K

E

H

Y

H

P

K

A

A

G

L

Y

V

Y

-

I

-

L

-

R

-

D

S

A

V

I

K

E

E

E

A

A

V

K

A

K

K

K

D

G

T

F

S

L

G

G

R

K

L

N

-

I

-

L

-

G

E

S

Y

G

F

F

E

D

L

L

K

E

D

I

F

Y

-

V

-

A

-

R

-

G

-

A

-

G

-

A

Y

Y

P

I

A

C

G
|
G

D
x
E

E
|
E

H

T

V

A

L

L

V

I

H

E

E

S

V

L

L

E

G

G

R

K

T

R

V

G

P

H

E
x
P

R

R

-

L

-

K

-

P

G

P

I

Y

P

P

L

V

Q

Q

V

K

G

G

-

L

-

W

-

G

-

K

-

P

A

T

V

V

V
|
V

S
x
N

N
|
N

V

V

E

E

S
x
T

L

I

L

A

N

N

V

V

A

P

Y

F

A

I

M

I

E

S

D

M

I

G

P

W

V

E

T

E

H

Y

R

R

Y

Y

-

I

-

G

-

P

-

S

-

D

-

Y

-

A

-

G

-

P

-

K

-

L

L

F

T

P

V

V

A

S

G

G

E

K

I

V

K

K

T

K

P

P

M

G

V

V

V

Y

K

E

V

L

P

P

V

M

G

N

T

T

L

T

V

L

S

R

D

E

V

V

-

I

L

F

N

K

F

Y

A

A

G

G

P

T

L

L

binding flavin mononucleotide: G63 (= G16), G65 (= G18), K74 (= K27), N90 (= N38), E93 (≠ S41), G181 (= G115), E182 (≠ D116), E183 (= E117), V216 (= V142), N217 (≠ S143), N218 (= N144), T221 (≠ S147)
binding iron/sulfur cluster: P197 (≠ E131)

Sites not aligning to the query:

binding iron/sulfur cluster: 344, 345, 346, 347, 348, 351, 389, 390, 391, 394

7t30B Structure of electron bifurcating ni-fe hydrogenase complex hydabcsl in fmn/NAD(h) bound state (see paper)
24% identity, 53% coverage: 5:237/442 of query aligns to 43:328/425 of 7t30B

query
sites
7t30B

I

V

V

L

E

E

K

E

I

V

R

K

E

K

T

S

G

G

V

L

V

R

G
|
G

A

R

G
|
G

A
|
A

G

G

L
x
F

P

P

T

T

H

G

V

L

K
|
K

A

W

E

E

-
x
F

-

A

-

K

A

A

T

S

V

G

D

D

T

K

-

K

-

Y

V

V

L

I

V

C

N
|
N

G

A

A
x
D

S
x
E

C

G

E

D

P

P

L

G

L

A

M

F

S

M

D

D

P

R

Y

S

L

T

M

L

E

E

A

G

E

D

I

P

D

H

V

S

V

V

I

I

R

E

G

G

L

M

E

T

A

I

I

G

L

A

D

Y

C

V

T

I

G

G

A

A

K

D

K

E

G

G

I

Y

I

I

C

Y

L

C

K

R

G

A

K

E

H

Y

H

P

K

L

A

A

L

I

V

K

S

R

V

L

K

K

E

I

A

A

V

I

A

A

K

Q

-

A

-

E

-

M

-

G

-

L

-

G

-

D

-

H

-

I

-

M

-

G

-

T

D

N

T

F

S

S

G

F

R

H

L

L

E

H

Y

L

F

K

E

E

L

G

K

A

D

G

F

A

Y

F

P

V

A

C

G
|
G

D

E

E
|
E

H

T

V

A

L

L

V

M

H

A

E

S

V

I

-

E

-

G

-

R

L

R

G

G

R

M

T

P

V

R

P

P

E
x
R

R

P

G

P

I
x
F

P

P

L

A

Q

Q

V

H

G

G

A

L

V

W

-

G

-

K

-

P

-

T

-

N

V

I

S

N

N
|
N

V

V

E

E

S

T

L

W

L

A

N

N

V

V

-

P

-

R

-

I

-

L

-

N

-

G

-

A

-

D

-

W

-

F

A

A

Y

S

A

M

M

G

E

T

D

E

I

K

P

S

V

K

T

G

H

T

R

K

Y

I

L

F

T

A

V

L

A

T

G

G

E

K

I

I

K

T

T

N

P

T

M

G

V

L

V

I

K

E

V

V

P

P

V

M

G

G

T

I

L

T

V

I

S

R

D

E

V

I

L

I

N

Y

F

E

A

L

G

G

P

G

L

I

I

L

S

N

-

G

-

K

D

E

Y

F

K

K

V

A

V

V

D

Q

-

I

G

G

P

P

M

S

M

G

G

G

R

C

V

L

-

T

-

K

-

E

-

H

-

L

-

D

L

L

P

P

D

I

I

D

N

Y

Q

E

S

S

V

L

T

T

K

A

T

A

-

G

-

A

-
x
I

-
x
M

-

G

T
x
S

S

G

G

G

L

L

L

V

V

V

L

M

P

D

P

E

D

D

H

T

T
x
C

V

M

V

V

binding fe2/s2 (inorganic) cluster: C326 (≠ T235)
binding flavin mononucleotide: G54 (= G16), G56 (= G18), K65 (= K27), N82 (= N38), D84 (≠ A40), E85 (≠ S41), G173 (= G115), E175 (= E117), N210 (= N144)
binding nicotinamide-adenine-dinucleotide: G56 (= G18), G57 (= G19), A58 (= A20), F60 (≠ L22), K65 (= K27), F68 (vs. gap), E85 (≠ S41), E175 (= E117), R192 (≠ E131), F195 (≠ I134), I312 (vs. gap), M313 (vs. gap), S315 (≠ T224)

Sites not aligning to the query:

binding fe2/s2 (inorganic) cluster: 364, 413, 419, 421, 424
binding flavin mononucleotide: 390, 391
binding iron/sulfur cluster: 342, 343, 344, 346, 349, 387, 389, 391, 392

7t2rB Structure of electron bifurcating ni-fe hydrogenase complex hydabcsl in fmn-free apo state (see paper)
24% identity, 53% coverage: 5:237/442 of query aligns to 43:328/425 of 7t2rB

query
sites
7t2rB

I

V

V

L

E

E

K

E

I

V

R

K

E

K

T

S

G

G

V

L

V

R

G

G

A

R

G

G

A

A

G

G

L

F

P

P

T

T

H

G

V

L

K

K

A

W

E

E

-

F

-

A

-

K

A

A

T

S

V

G

D

D

T

K

-

K

-

Y

V

V

L

I

V

C

N

N

G

A

A

D

S

E

C

G

E

D

P

P

L

G

L

A

M

F

S

M

D

D

P

R

Y

S

L

T

M

L

E

E

A

G

E

D

I

P

D

H

V

S

V

V

I

I

R

E

G

G

L

M

E

T

A

I

I

G

L

A

D

Y

C

V

T

I

G

G

A

A

K

D

K

E

G

G

I

Y

I

I

C

Y

L

C

K

R

G

A

K

E

H

Y

H

P

K

L

A

A

L

I

V

K

S

R

V

L

K

K

E

I

A

A

V

I

A

A

K

Q

-

A

-

E

-

M

-

G

-

L

-

G

-

D

-

H

-

I

-

M

-

G

-

T

D

N

T

F

S

S

G

F

R

H

L

L

E

H

Y

L

F

K

E

E

L

G

K

A

D

G

F

A

Y

F

P

V

A

C

G

G

D

E

E

E

H

T

V

A

L

L

V

M

H

A

E

S

V

I

-

E

-

G

-

R

L

R

G

G

R

M

T
x
P

V

R

P

P

E

R

R

P

G

P

I

F

P

P

L

A

Q

Q

V

H

G

G

A

L

V

W

-

G

-

K

-

P

-

T

-

N

V

I

S

N

N

N

V

V

E

E

S

T

L

W

L

A

N

N

V

V

-

P

-

R

-

I

-

L

-

N

-

G

-

A

-

D

-

W

-

F

A

A

Y

S

A

M

M

G

E

T

D

E

I

K

P

S

V

K

T

G

H

T

R

K

Y

I

L

F

T

A

V

L

A

T

G

G

E

K

I

I

K

T

T

N

P

T

M

G

V

L

V

I

K

E

V

V

P

P

V

M

G

G

T

I

L

T

V

I

S

R

D

E

V

I

L

I

N

Y

F

E

A

L

G

G

P

G

L

I

I

L

S

N

-

G

-

K

D

E

Y

F

K

K

V

A

V

V

D

Q

-

I

G

G

P

P

M

S

M

G

G

G

R

C

V

L

-

T

-

K

-

E

-

H

-

L

-

D

L

L

P

P

D

I

I

D

N

Y

Q

E

S

S

V

L

T

T

K

A

T

A

-

G

-

A

-

I

-

M

-

G

T

S

S

G

G

G

L

L

L

V

V

V

L

M

P

D

P

E

D

D

H

T

T
x
C

V

M

V

V

binding fe2/s2 (inorganic) cluster: C326 (≠ T235)
binding iron/sulfur cluster: P189 (≠ T128)

Sites not aligning to the query:

binding fe2/s2 (inorganic) cluster: 329, 364, 413, 419, 421, 424
binding iron/sulfur cluster: 343, 344, 346, 349, 389, 392

6vw7D Formate dehydrogenase fdsabg subcomplex fdsbg from c. Necator - nadh bound (see paper)
24% identity, 48% coverage: 3:215/442 of query aligns to 141:394/514 of 6vw7D

query
sites
6vw7D

A

A

S

E

I

I

V

V

E

Q

K

E

I

V

R

T

E

D

T

S

G

G

V

L

V

R

G
|
G

A

R

G
|
G

G

G

A
|
A

G

A

L
x
F

P

P

T

T

H

G

V

I

K
|
K

-

W

-

K

-
x
T

-

V

-

L

-

G

A

A

E

Q

A

S

T

A

V

V

D

K

T

Y

V

I

L

V

V

C

N
|
N

G

A

A

D

S
x
E

C

G

E

D

P

S

L

G

L

T

M

F

S

S

D

D

P

R

Y

M

L

V

M

M

E

E

A

D

E

D

I

P

D

F

V

M

V

L

I

I

R

E

G

G

L

M

E

T

A

I

I

A

L

A

D

L

C

A

T

V

G

G

A

A

K

E

K

Q

G

G

I

Y

I

I

C

Y

L

C

K

R

G

S

K

E

H

Y

H

P

K

H

A

A

L

I

V

A

S

V

V

L

K

E

E

S

A

A

V

I

-

G

-

I

-

A

-

N

-

A

-

G

-

W

-

L

A

G

K

D

D

D

T

I

S

R

G

G

R

S

L

G

E

K

Y

R

F

F

E

H

L

L

K

E

-

V

-

R

-

K

-

G

-

A

D

G

F

A

Y

Y

P
x
V

A

C

G
|
G

D
x
E

E
|
E

H

T

V

A

L

L

V

L

H

E

E

S

V

L

L

E

G

G

R

R

T

R

V

G

P

V

E
x
V

R

R

G

A

I

K

P

P

-

P

-
x
L

-

P

-

A

-

L

-

Q

-

G

-

L

L

F

Q

G

V

K

G

P

A

T

V

V

V

I

S
x
N

N
|
N

V

V

E

I

S
|
S

L

L

L

A

N

T

V

V

A

P

Y

V

A

I

M

L

E

A

D

R

I

G

P

A

V

Q

T

Y

H

Y

R

R

-

D

Y

Y

-

G

-

M

-

G

-

R

-

S

-

R

-

G

-

T

-

L

-

P

L

F

T

Q

V

L

A

A

G

G

E

N

I

I

K

K

T

Q

P

G

M

G

V

L

V

V

K

E

V

K

P

A

V

F

G

G

T

V

L

T

V

L

S

R

D

E

V

L

L

L

N

V

F

D

A

Y

G

G

P

G

L

T

I

R

S

S

D

G

Y

R

K

A

V

I

V

R

D

A

-

V

-

Q

-

V

G

G

P

P

M

-

M

L

G

G

R

A

V

Y

L

L

P

P

D

E

binding flavin mononucleotide: G154 (= G16), G156 (= G18), K165 (= K27), N182 (= N38), E185 (≠ S41), G273 (= G115), E274 (≠ D116), E275 (= E117), N309 (≠ S143), N310 (= N144), S313 (= S147)
binding 1,4-dihydronicotinamide adenine dinucleotide: A158 (= A20), F160 (≠ L22), K165 (= K27), T168 (vs. gap), E275 (= E117), L295 (vs. gap)
binding iron/sulfur cluster: V271 (≠ P113), V289 (≠ E131)

Sites not aligning to the query:

binding flavin mononucleotide: 490, 491
binding iron/sulfur cluster: 442, 443, 444, 445, 446, 449, 488, 489, 491, 492

7p8nB Tmhydabc- t. Maritima hydrogenase with bridge closed (see paper)
25% identity, 46% coverage: 5:207/442 of query aligns to 174:418/613 of 7p8nB

query
sites
7p8nB

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binding flavin mononucleotide: G185 (= G16), R186 (≠ A17), G187 (= G18), N213 (= N38), D215 (≠ A40), E216 (≠ S41), G217 (≠ C42), F301 (≠ Y112), G304 (= G115), E305 (≠ D116), E306 (= E117), N340 (≠ S143), N341 (= N144)
binding iron/sulfur cluster: P320 (vs. gap)

Sites not aligning to the query:

binding fe2/s2 (inorganic) cluster: 31, 33, 34, 36, 67, 68, 69, 70, 71
binding flavin mononucleotide: 521, 522
binding iron/sulfur cluster: 473, 474, 475, 476, 477, 480, 519, 520, 522, 523, 560, 567, 570, 571, 573, 577, 590, 592, 597, 599, 600, 601, 603, 607
binding zinc ion: 457, 544, 549, 554

8a6tB Cryo-em structure of the electron bifurcating fe-fe hydrogenase hydabc complex from thermoanaerobacter kivui in the reduced state (see paper)
21% identity, 53% coverage: 4:237/442 of query aligns to 187:473/630 of 8a6tB

query
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8a6tB

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binding flavin mononucleotide: G201 (= G18), N227 (= N38), E230 (≠ S41), N355 (= N144)
binding nadp nicotinamide-adenine-dinucleotide phosphate: S320 (≠ E117), R337 (vs. gap), R340 (vs. gap), T341 (vs. gap), N342 (vs. gap), S433 (≠ M208)
binding zinc ion: C471 (≠ T235)

Sites not aligning to the query:

binding fe2/s2 (inorganic) cluster: 31, 33, 36, 82, 85, 86
binding flavin mononucleotide: 535, 536
binding iron/sulfur cluster: 487, 488, 489, 491, 494, 534, 536, 537, 575, 577, 582, 583, 585, 588, 592, 596, 597, 607, 612, 618, 622, 624, 626, 627
binding zinc ion: 558, 564

Query Sequence

>WP_027723004.1 NCBI__GCF_000425265.1:WP_027723004.1
MGASIVEKIRETGVVGAGGAGLPTHVKAEATVDTVLVNGASCEPLLMSDPYLMEAEIDVV
IRGLEAILDCTGAKKGIICLKGKHHKALVSVKEAVAKDTSGRLEYFELKDFYPAGDEHVL
VHEVLGRTVPERGIPLQVGAVVSNVESLLNVAYAMEDIPVTHRYLTVAGEIKTPMVVKVP
VGTLVSDVLNFAGGPLISDYKVVDGGPMMGRVLPDINQSVTKTTSGLLVLPPDHTVVAGK
IKDPEKIRRITNTVCCQCSRCTDLCPRNLLGHSLHPHKLMRVLDSQVLNSEIAKEALLCS
ECGICEKFACPMMISPREVNAQIKKVLMQERITWESKGEPLVANPFRDCRSVPTKRLIQR
LNLNKYDGHPDYAGEYTPSVVNIALRQHIGAPATCCVSAGDMVAKGDLIGEIPEGAMGAR
VHASIDGVVESVADGKVTIRKS

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory