SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_073039070.1 NCBI__GCF_900129305.1:WP_073039070.1 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)

8a6tB Cryo-em structure of the electron bifurcating fe-fe hydrogenase hydabc complex from thermoanaerobacter kivui in the reduced state (see paper)
56% identity, 99% coverage: 6:620/622 of query aligns to 1:628/630 of 8a6tB

query
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8a6tB

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binding fe2/s2 (inorganic) cluster: C31 (= C36), G33 (= G38), C36 (= C41), C82 (= C73), F85 (= F76), C86 (= C77)
binding flavin mononucleotide: G201 (= G193), N227 (= N219), E230 (= E222), N355 (= N347), G535 (= G527), L536 (= L528)
binding nadp nicotinamide-adenine-dinucleotide phosphate: S320 (= S312), R337 (≠ K329), R340 (≠ H332), T341 (= T333), N342 (≠ V334), S433 (= S425)
binding iron/sulfur cluster: S487 (= S479), C488 (= C480), G489 (= G481), C491 (= C483), C494 (= C486), C534 (= C526), L536 (= L528), G537 (= G529), Y575 (= Y567), I577 (= I569), C582 (= C574), I583 (≠ T575), C585 (= C577), C588 (= C580), C592 (= C584), A596 (= A588), I597 (= I589), I607 (= I599), C612 (= C604), C618 (= C610), C622 (= C614), K624 (≠ F616), A626 (= A618), I627 (= I619)
binding zinc ion: C471 (= C463), H558 (= H550), C564 (= C556)

7q4vB Electron bifurcating hydrogenase - hydabc from a. Woodii (see paper)
55% identity, 95% coverage: 30:619/622 of query aligns to 5:596/599 of 7q4vB

query
sites
7q4vB

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binding fe2/s2 (inorganic) cluster: C11 (= C36), C16 (= C41), C48 (= C73), F49 (≠ N74), L51 (≠ F76), C52 (= C77)
binding flavin mononucleotide: G166 (= G191), G168 (= G193), N196 (= N219), D198 (= D221), F284 (= F307), G287 (= G310), E288 (= E311), E289 (≠ S312), N324 (= N347)
binding iron/sulfur cluster: C457 (= C480), G458 (= G481), K459 (= K482), C460 (= C483), C463 (= C486), C503 (= C526), G506 (= G529), F544 (≠ Y567), C551 (= C574), K552 (≠ T575), G553 (= G576), C554 (= C577), G555 (= G578), I556 (≠ L579), C557 (= C580), C561 (= C584), P562 (= P585), Y574 (≠ H597), C581 (= C604), K583 (≠ R606), C584 (= C607), G585 (= G608), A586 (≠ I609), C587 (= C610), C591 (= C614), F593 (= F616), S595 (≠ A618)
binding zinc ion: C440 (= C463), H527 (= H550), C533 (= C556)

8oh5B Cryo-em structure of the electron bifurcating transhydrogenase stnabc complex from sporomusa ovata (state 2) (see paper)
53% identity, 95% coverage: 32:622/622 of query aligns to 2:584/584 of 8oh5B

query
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binding fe2/s2 (inorganic) cluster: C10 (≠ G40), C41 (= C73), C45 (= C77)
binding flavin mononucleotide: R154 (= R192), K164 (= K202), N181 (= N219), F269 (= F307), E273 (= E311), E274 (≠ S312), I307 (≠ L345), N308 (= N346), N309 (= N347), G489 (= G527), L490 (= L528)
binding nicotinamide-adenine-dinucleotide: G155 (= G193), G156 (= G194), F159 (= F197), F163 (≠ V201), E273 (= E311), E274 (≠ S312), K291 (= K329), F294 (≠ H332), G413 (= G451)
binding iron/sulfur cluster: P288 (= P326), C442 (= C480), G443 (= G481), C445 (= C483), C448 (= C486), C488 (= C526), L490 (= L528), G491 (= G529), I531 (= I569), C536 (= C574), T540 (≠ G578), C542 (= C580), C546 (= C584), P547 (= P585), V548 (≠ E586), H559 (= H597), C566 (= C604), T567 (≠ V605), K568 (≠ R606), C569 (= C607), C572 (= C610)
binding zinc ion: C425 (= C463), H512 (= H550), C518 (= C556), C523 (= C561)

7p8nB Tmhydabc- t. Maritima hydrogenase with bridge closed (see paper)
51% identity, 96% coverage: 21:619/622 of query aligns to 10:612/613 of 7p8nB

query
sites
7p8nB

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binding fe2/s2 (inorganic) cluster: C31 (= C36), G33 (= G38), T34 (= T39), C36 (= C41), C67 (= C73), C68 (≠ N74), G69 (= G75), R70 (≠ F76), C71 (= C77)
binding flavin mononucleotide: G185 (= G191), R186 (= R192), G187 (= G193), N213 (= N219), D215 (= D221), E216 (= E222), G217 (= G223), F301 (= F307), G304 (= G310), E305 (= E311), E306 (≠ S312), N340 (= N346), N341 (= N347), G521 (= G527), L522 (= L528)
binding iron/sulfur cluster: P320 (= P326), S473 (= S479), C474 (= C480), G475 (= G481), K476 (= K482), C477 (= C483), C480 (= C486), L519 (= L525), C520 (= C526), L522 (= L528), G523 (= G529), Y560 (= Y567), C567 (= C574), C570 (= C577), G571 (= G578), C573 (= C580), C577 (= C584), Y590 (≠ H597), I592 (= I599), C597 (= C604), K599 (≠ R606), C600 (= C607), G601 (= G608), C603 (= C610), C607 (= C614)
binding zinc ion: C457 (= C463), H544 (= H550), C549 (= C556), C554 (= C561)

7q4vF Electron bifurcating hydrogenase - hydabc from a. Woodii (see paper)
61% identity, 75% coverage: 155:619/622 of query aligns to 1:467/470 of 7q4vF

query
sites
7q4vF

D

N

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I

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I

binding flavin mononucleotide: G37 (= G191), G39 (= G193), N67 (= N219), G158 (= G310), E159 (= E311), E160 (≠ S312), G375 (= G527)
binding nicotinamide-adenine-dinucleotide: G40 (= G194), F43 (= F197), K48 (= K202), R177 (≠ K329), F180 (≠ H332), M297 (= M449)
binding iron/sulfur cluster: S327 (= S479), C328 (= C480), G329 (= G481), K330 (= K482), C331 (= C483), C334 (= C486), L373 (= L525), C374 (= C526), F415 (≠ Y567), I417 (= I569), C422 (= C574), G424 (= G576), C425 (= C577), G426 (= G578), I427 (≠ L579), C428 (= C580), C432 (= C584), P433 (= P585), I437 (= I589), Y445 (≠ H597), C452 (= C604), K454 (≠ R606), C455 (= C607), G456 (= G608), A457 (≠ I609), C458 (= C610), C462 (= C614), P463 (≠ K615), I467 (= I619)
binding zinc ion: C311 (= C463), H398 (= H550), C404 (= C556), C409 (= C561)

8a5eB Cryo-em structure of the electron bifurcating fe-fe hydrogenase hydabc complex from acetobacterium woodii in the reduced state (see paper)
61% identity, 71% coverage: 179:619/622 of query aligns to 2:444/447 of 8a5eB

query
sites
8a5eB

E

D

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F

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E

-

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A

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A

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x
F

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C

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I

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G

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K

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C

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C

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I

binding flavin mononucleotide: G14 (= G191), G16 (= G193), N44 (= N219), G135 (= G310), E137 (≠ S312), N171 (= N346), N172 (= N347), G352 (= G527)
binding 1,4-dihydronicotinamide adenine dinucleotide: G16 (= G193), G17 (= G194), F20 (= F197), K25 (= K202), F28 (≠ S205), D49 (= D224), R154 (≠ K329), F157 (≠ H332), S250 (= S425)
binding iron/sulfur cluster: P151 (= P326), C305 (= C480), G306 (= G481), K307 (= K482), C308 (= C483), C311 (= C486), C351 (= C526), G354 (= G529), F392 (≠ Y567), C399 (= C574), G401 (= G576), C402 (= C577), G403 (= G578), C405 (= C580), C409 (= C584), P410 (= P585), I414 (= I589), C429 (= C604), K431 (≠ R606), C432 (= C607), G433 (= G608), C435 (= C610), C439 (= C614), P440 (≠ K615), I444 (= I619)
binding zinc ion: C288 (= C463), H375 (= H550), C381 (= C556), C386 (= C561)

7t30B Structure of electron bifurcating ni-fe hydrogenase complex hydabcsl in fmn/NAD(h) bound state (see paper)
61% identity, 68% coverage: 138:561/622 of query aligns to 1:424/425 of 7t30B

query
sites
7t30B

A

S

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K

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K

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F

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G

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C

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N

A

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E

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A

S

S

I

M

G

G

T

T

E

E

R

K

S

S

K

K

G

G

T

T

K

K

I

I

F

F

S

A

L

L

V

T

G

G

K

K

I

I

N

T

N

N

T

T

G

G

L

L

V

I

E

E

V

V

A

P

M

M

G

G

T

I

P

T

L

I

R

R

T

E

I

I

Y

Y

D

E

I

L

G

G

I

I

P

L

A

N

G

G

R

K

R

E

F

F

K

K

A

A

V

V

Q

Q

T

I

G

G

P

P

S

S

G

G

C

C

V

L

P

T

E

K

R

E

L

H

I

L

D

D

L

L

P

P

V

I

D

D

F

Y

E

E

K

S

L

L

K

T

E

A

A

A

G

G

S

A

M
x
I

M
|
M

G

G

S
|
S

G

G

M

L

I

V

V

V

M

M

D

D

E

E

E

D

T

T

C
|
C

M

M

V

V

D

D

V

V

A

A

R

K

Y

F

F

F

L

L

N

E

F

F

L

T

V

Q

E

R

E

E

S
|
S

C
|
C

G
|
G

K

K

C
|
C

I

V

P

P

C
|
C

R

R

V

E

G

G

V

T

K

K

R

Q

M

M

H

L

E

L

L

M

V

L

V

Q

G

K

M

I

C
|
C

E

N

G

G

R

E

A

G

R

T

P

M

G

D

D

D

I

L

E

S

K

K

L

L

E

E

L

L

C

A

Y

H

A

M

I

V

Q

K

E

E

T

T

A
x
S

L

L

C
|
C

G
|
G

L
|
L

G
|
G

K

Q

S

T

A

A

P

P

N

N

P

P

V

V

L

I

S

T

T

T

L

I

Q

R

Y

Y

F

F

R

R

D

D

E

E

Y

Y

D

V

A

A

H
|
H

V

I

H

K

E

D

K

K

K

R

C
|
C

P

P

A
|
A

K

K

I

I

C
|
C

binding fe2/s2 (inorganic) cluster: C326 (= C463), C364 (= C501), H413 (= H550), C419 (= C556), A421 (= A558), C424 (= C561)
binding flavin mononucleotide: G54 (= G191), G56 (= G193), K65 (= K202), N82 (= N219), D84 (= D221), E85 (= E222), G173 (= G310), E175 (≠ S312), N210 (= N347), G390 (= G527), L391 (= L528)
binding nicotinamide-adenine-dinucleotide: G56 (= G193), G57 (= G194), A58 (≠ G195), F60 (= F197), K65 (= K202), F68 (≠ S205), E85 (= E222), E175 (≠ S312), R192 (≠ K329), F195 (≠ H332), I312 (≠ M449), M313 (= M450), S315 (= S452)
binding iron/sulfur cluster: S342 (= S479), C343 (= C480), G344 (= G481), C346 (= C483), C349 (= C486), S387 (≠ A524), C389 (= C526), L391 (= L528), G392 (= G529)

7t2rB Structure of electron bifurcating ni-fe hydrogenase complex hydabcsl in fmn-free apo state (see paper)
61% identity, 68% coverage: 138:561/622 of query aligns to 1:424/425 of 7t2rB

query
sites
7t2rB

A

S

K

K

Q

Q

E

H

R

R

L

I

V

V

F

L

K

S

D

N

T

C

G

G

T

Y

N

I

F

D

V

P

T

E

D

K

I

I

D

E

Y

Y

I

I

S

A

R

R

G

D

G

G

Y

Y

S

M

A

A

L

L

A

G

K

K

V

A

L

L

S

L

G

E

M

M

S

T

P

P

E

E

V

V

I

L

E

E

V

V

K

K

L

K

S

S

G

G

L

L

R

R

G

G

R

R

G

G

G

A

G

G

F

F

P

P

A

T

G

G

V

L

K

K

W

W

E

E

S

F

C

A

R

K

A

A

H

S

G

G

D

D

I

K

K

K

Y

Y

V

V

M

I

C

C

N

N

A

A

D

D

E

E

G

G

D

D

P

P

G

G

A

A

Y

F

M

M

D

D

R

R

S

S

L

T

L

L

E

E

G

G

N

D

P

P

H

H

Q

S

V

V

L

I

E

E

G

G

M

M

I

T

I

I

G

G

A

A

Y

Y

A

V

I

I

G

G

A

A

R

D

E

E

G

G

Y

Y

I

I

Y

Y

V

C

R

R

F

A

E

E

Y

Y

P

P

M

L

A

A

V

I

K

K

N

R

A

L

L

K

W

I

A

A

I

I

E

A

Q

Q

A

A

K

E

Q

E

Y

M

G

G

L

L

G

G

D

D

N

H

I

I

L

M

G

G

T

T

S

N

F

F

S

S

L

F

D

H

I

L

H

H

V

L

N

K

R

E

G

G

A

A

G

G

A

A

F

F

I

V

C

C

G

G

E

E

S

E

T

T

A

A

L

L

M

M

A

A

S

S

L

I

E

E

G

G

K

R

V

R

G

G

E

M

P
|
P

R

R

G

P

K

R

H

P

I

P

H

F

T

P

V

A

E

Q

K

H

G

G

L

L

W

W

N

G

R

K

P

P

S

T

N

N

L

I

N

N

V

V

E

E

T

T

W

W

A

A

N

N

V

V

P

P

L

R

I

I

N

L

N

N

G

G

G

A

A

D

W

W

Y

F

A

A

S

S

I

M

G

G

T

T

E

E

R

K

S

S

K

K

G

G

T

T

K

K

I

I

F

F

S

A

L

L

V

T

G

G

K

K

I

I

N

T

N

N

T

T

G

G

L

L

V

I

E

E

V

V

A

P

M

M

G

G

T

I

P

T

L

I

R

R

T

E

I

I

Y

Y

D

E

I

L

G

G

I

I

P

L

A

N

G

G

R

K

R

E

F

F

K

K

A

A

V

V

Q

Q

T

I

G

G

P

P

S

S

G

G

C

C

V

L

P

T

E

K

R

E

L

H

I

L

D

D

L

L

P

P

V

I

D

D

F

Y

E

E

K

S

L

L

K

T

E

A

A

A

G

G

S

A

M

I

M

M

G

G

S

S

G

G

M

L

I

V

V

V

M

M

D

D

E

E

E

D

T

T

C
|
C

M

M

V

V

D
|
D

V

V

A

A

R

K

Y

F

F

F

L

L

N

E

F

F

L

T

V

Q

E

R

E

E

S

S

C
|
C

G
|
G

K

K

C
|
C

I

V

P

P

C
|
C

R

R

V

E

G

G

V

T

K

K

R

Q

M

M

H

L

E

L

L

M

V

L

V

Q

G

K

M

I

C
|
C

E

N

G

G

R

E

A

G

R

T

P

M

G

D

D

D

I

L

E

S

K

K

L

L

E

E

L

L

C

A

Y

H

A

M

I

V

Q

K

E

E

T

T

A

S

L

L

C
|
C

G

G

L

L

G
|
G

K

Q

S

T

A

A

P

P

N

N

P

P

V

V

L

I

S

T

T

T

L

I

Q

R

Y

Y

F

F

R

R

D

D

E

E

Y

Y

D

V

A

A

H
|
H

V

I

H

K

E

D

K

K

K

R

C
|
C

P

P

A
|
A

K

K

I

I

C
|
C

binding fe2/s2 (inorganic) cluster: C326 (= C463), D329 (= D466), C364 (= C501), H413 (= H550), C419 (= C556), A421 (= A558), C424 (= C561)
binding iron/sulfur cluster: P189 (= P326), C343 (= C480), G344 (= G481), C346 (= C483), C349 (= C486), C389 (= C526), G392 (= G529)

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)
44% identity, 67% coverage: 141:555/622 of query aligns to 14:429/438 of Q56222

query
sites
Q56222

E

E

R

R

L

T

V

L

F

Y

K

A

D

H

T

V

G

G

T

K

N

E

F

G

V

S

T

W

D

T

I

L

D

D

D

Y

Y

Y

I

L

S

R

R

H

G

G

Y

Y

S

E

A

T

L

A

A

K

K

R

V

V

L

L

S

K

G

E

M

K

S

T

P

P

E

D

E

E

V

V

I

I

E

E

V

V

K

K

L

R

S

S

G

G

L

L

R

R

G

G

R

R

G

G

G

A

G

G

F

F

P

P

A

T

G

G

V

L

K
|
K

W

W

E

S

S

F

C

M

R

P

R

K

A

D

H

D

G

G

D

K

I

Q

K

H

Y

Y

V

L

M

I

C

C

N
|
N

A
|
A

D
|
D

E
|
E

G
x
S

D

E

P

P

G

G

A

S

Y

F

M

K

D

D

R

R

S

Y

L

I

L

L

E

E

G

D

N

V

P

P

H

H

Q

L

V

L

L

I

E

E

G

G

M

M

I

I

I

L

G

A

A

G

Y

Y

A

A

I

I

G

R

A

A

R

T

E

V

G

G

Y

Y

I

I

Y

Y

V

V

R

R

F

G

E

E

Y

Y

P

R

M

R

A

A

V

A

K

D

N

R

A

L

L

E

W

Q

A

A

I

I

E

K

Q

E

A

A

K

R

Q

A

Y

R

G

G

L

Y

L

L

G

G

D

K

N

N

I

L

L

F

G

G

T

T

S

D

F

F

S

S

L

F

D

D

I

L

H

H

V

V

N

H

R

R

G

G

A

A

G

G

A

A

F
x
Y

I
|
I

C
|
C

G
|
G

E
|
E

S
x
E

T

T

A

A

L

L

M

M

A

N

S

S

L

L

E

E

G

G

K

L

V

R

G

A

E

N

P

P

R

R

G

L

K

K

H

P

I

P

H

F

T

P

V

A

E

Q

K

S

G

G

L

L

W

W

N

G

R

K

P

P

S

T

N

T

L
x
I

N
|
N

V

V

E

E

T

T

W

L

A

A

N

S

V

V

P

V

L

P

I

I

I

M

N

E

N

R

G

G

G

A

A

D

W

W

Y

F

A

A

S

Q

I

M

G

G

T

T

E

E

R

Q

S

S

K

K

G

G

T

M

K

K

I

L

F

Y

S

Q

L

I

V

S

G

G

K

P

I

V

N

K

N

R

T

P

G

G

L

V

V

Y

E

E

V

L

A

P

M

M

G

G

T

T

P

T

L

F

R

R

T

E

I

L

I

I

Y

Y

D

E

I

W

G

A

G

G

I

-

P

-

A

P

G

L

R

E

R

P

F

I

K

Q

A

A

V

I

Q

I

T

P

G

G

P

S

S

S

G

T

G

P

C

P

V

L

P

P

-

F

-

T

E

E

R

E

L

V

I

L

D

D

L

T

P

P

V

M

D

S

F

Y

E

E

K

H

L

L

K

Q

E

A

A

K

G

G

S

S

M

M

M

L

G

G

S

T

G

G

M

V

I

I

V

L

M

I

D

P

E

E

E

R

T

V

C

S

M

M

V

V

D

D

V

A

A

M

R

W

Y

N

F

L

L

T

N

R

F

F

L

Y

V

A

E

H

E

E

S

S

C
|
C

G

G

K

K

C
|
C

I

T

P

P

C
|
C

R

R

V

E

G

G

V

V

K

A

-

G

R

F

M

M

H

V

E

N

L

L

V

F

V

A

G

K

M

I

C

G

E

T

G

G

R

Q

A

G

R

E

P

E

G

K

D

D

I

V

E

E

K

N

L

L

E

E

E

A

L

L

C

L

Y

P

A

L

I

I

Q

E

E

G

T

R

A

S

L

F

C
|
C

G

P

L

L

G

A

K

D

S

A

A

A

P

V

N

W

P

P

V

V

L

K

S

G

T

S

L

L

Q

R

Y

H

F

F

R

K

D

D

E

Q

Y

Y

D

L

A

A

H

L

V

A

H

R

E

E

K

K

K

R

K75 (= K202) binding FMN
NADES 92:96 (≠ NADEG 219:223) binding FMN
YICGEE 180:185 (≠ FICGES 307:312) binding FMN
INN 218:220 (≠ LNN 345:347) binding FMN
C353 (= C480) binding [4Fe-4S] cluster
C356 (= C483) binding [4Fe-4S] cluster
C359 (= C486) binding [4Fe-4S] cluster
C400 (= C526) binding [4Fe-4S] cluster

4hea1 Crystal structure of the entire respiratory complex i from thermus thermophilus (see paper)
44% identity, 67% coverage: 141:555/622 of query aligns to 13:428/437 of 4hea1

query
sites
4hea1

E

E

R

R

L

T

V

L

F

Y

K

A

D

H

T

V

G

G

T

K

N

E

F

G

V

S

T

W

D

T

I

L

D

D

D

Y

Y

Y

I

L

S

R

R

H

G

G

Y

Y

S

E

A

T

L

A

A

K

K

R

V

V

L

L

S

K

G

E

M

K

S

T

P

P

E

D

E

E

V

V

I

I

E

E

V

V

K

K

L

R

S

S

G

G

L

L

R

R

G
|
G

R

R

G

G

G

A

G

G

F

F

P

P

A

T

G

G

V

L

K
|
K

W

W

E

S

S

F

C

M

R

P

R

K

A

D

H

D

G

G

D

K

I

Q

K

H

Y

Y

V

L

M

I

C

C

N
|
N

A

A

D
|
D

E

E

G

S

D

E

P

P

G

G

A

S

Y

F

M

K

D

D

R

R

S

Y

L

I

L

L

E

E

G

D

N

V

P

P

H

H

Q

L

V

L

L

I

E

E

G

G

M

M

I

I

I

L

G

A

A

G

Y

Y

A

A

I

I

G

R

A

A

R

T

E

V

G

G

Y

Y

I

I

Y

Y

V

V

R

R

F

G

E

E

Y

Y

P

R

M

R

A

A

V

A

K

D

N

R

A

L

L

E

W

Q

A

A

I

I

E

K

Q

E

A

A

K

R

Q

A

Y

R

G

G

L

Y

L

L

G

G

D

K

N

N

I

L

L

F

G

G

T

T

S

D

F

F

S

S

L

F

D

D

I

L

H

H

V

V

N

H

R

R

G

G

A

A

G

G

A

A

F
x
Y

I
|
I

C

C

G
|
G

E
|
E

S

E

T

T

A

A

L

L

M

M

A

N

S

S

L

L

E

E

G

G

K

L

V

R

G

A

E

N

P
|
P

R

R

G

L

K

K

H

P

I

P

H

F

T

P

V

A

E

Q

K

S

G

G

L

L

W

W

N

G

R

K

P

P

S

T

N

T

L

I

N
|
N

V

V

E

E

T

T

W

L

A

A

N

S

V

V

P

V

L

P

I

I

I

M

N

E

N

R

G

G

G

A

A

D

W

W

Y

F

A

A

S

Q

I

M

G

G

T

T

E

E

R

Q

S

S

K

K

G

G

T

M

K

K

I

L

F

Y

S

Q

L

I

V

S

G

G

K

P

I

V

N

K

N

R

T

P

G

G

L

V

V

Y

E

E

V

L

A

P

M

M

G

G

T

T

P

T

L

F

R

R

T

E

I

L

I

I

Y

Y

D

E

I

W

G

A

G

G

I

-

P

-

A

P

G

L

R

E

R

P

F

I

K

Q

A

A

V

I

Q

I

T

P

G

G

P

S

S

S

G

T

G

P

C

P

V

L

P

P

-

F

-

T

E

E

R

E

L

V

I

L

D

D

L

T

P

P

V

M

D

S

F

Y

E

E

K

H

L

L

K

Q

E

A

A

K

G

G

S

S

M

M

M

L

G

G

S

T

G

G

M

V

I

I

V

L

M

I

D

P

E

E

E

R

T

V

C

S

M

M

V

V

D

D

V

A

A

M

R

W

Y

N

F

L

L

T

N

R

F

F

L

Y

V

A

E

H

E

E

S
|
S

C
|
C

G
|
G

K
|
K

C
|
C

I

T

P

P

C
|
C

R

R

V

E

G

G

V

V

K

A

-

G

R

F

M

M

H

V

E

N

L

L

V

F

V

A

G

K

M

I

C

G

E

T

G

G

R

Q

A

G

R

E

P

E

G

K

D

D

I

V

E

E

K

N

L

L

E

E

E

A

L

L

C

L

Y

P

A

L

I

I

Q

E

E

G

T

R

A

S

L
x
F

C
|
C

G

P

L
|
L

G

A

K

D

S

A

A

A

P

V

N

W

P

P

V

V

L

K

S

G

T

S

L

L

Q

R

Y

H

F

F

R

K

D

D

E

Q

Y

Y

D

L

A

A

H

L

V

A

H

R

E

E

K

K

K

R

binding flavin mononucleotide: G63 (= G191), K74 (= K202), N91 (= N219), D93 (= D221), Y179 (≠ F307), G182 (= G310), E183 (= E311), N218 (= N346), N219 (= N347), L401 (= L528)
binding iron/sulfur cluster: I180 (= I308), P198 (= P326), S351 (= S479), C352 (= C480), G353 (= G481), K354 (= K482), C355 (= C483), C358 (= C486), F398 (≠ L525), C399 (= C526), L401 (= L528)

2ybb1 Fitted model for bovine mitochondrial supercomplex i1iii2iv1 by single particle cryo-em (emd-1876) (see paper)
44% identity, 67% coverage: 141:555/622 of query aligns to 13:428/437 of 2ybb1

query
sites
2ybb1

E

E

R

R

L

T

V

L

F

Y

K

A

D

H

T

V

G

G

T

K

N

E

F

G

V

S

T

W

D

T

I

L

D

D

D

Y

Y

Y

I

L

S

R

R

H

G

G

Y

Y

S

E

A

T

L

A

A

K

K

R

V

V

L

L

S

K

G

E

M

K

S

T

P

P

E

D

E

E

V

V

I

I

E

E

V

V

K

K

L

R

S

S

G

G

L

L

R

R

G
|
G

R

R

G
|
G

G

A

G

G

F
|
F

P

P

A

T

G

G

V

L

K
|
K

W

W

E

S

S
x
F

C

M

R

P

R

K

A

D

H

D

G

G

D

K

I

Q

K

H

Y

Y

V

L

M

I

C

C

N
|
N

A

A

D
|
D

E

E

G

S

D
x
E

P

P

G

G

A

S

Y

F

M

K

D

D

R

R

S

Y

L

I

L

L

E

E

G

D

N

V

P

P

H

H

Q

L

V

L

L

I

E

E

G

G

M

M

I

I

I

L

G

A

A

G

Y

Y

A

A

I

I

G

R

A

A

R

T

E

V

G

G

Y

Y

I

I

Y

Y

V

V

R

R

F

G

E

E

Y

Y

P

R

M

R

A

A

V

A

K

D

N

R

A

L

L

E

W

Q

A

A

I

I

E

K

Q

E

A

A

K

R

Q

A

Y

R

G

G

L

Y

L

L

G

G

D

K

N

N

I

L

L

F

G

G

T

T

S

D

F

F

S

S

L

F

D

D

I

L

H

H

V

V

N

H

R

R

G

G

A

A

G

G

A

A

F
x
Y

I

I

C

C

G
|
G

E
|
E

S
x
E

T

T

A

A

L

L

M

M

A

N

S

S

L

L

E

E

G

G

K

L

V

R

G

A

E

N

P

P

R

R

G

L

K
|
K

H

P

I

P

H
x
F

T

P

V

A

E

Q

K

S

G

G

L

L

W

W

N

G

R

K

P

P

S

T

N

T

L

I

N
|
N

V

V

E

E

T
|
T

W

L

A

A

N

S

V

V

P

V

L

P

I

I

I

M

N

E

N

R

G

G

G

A

A

D

W

W

Y

F

A

A

S

Q

I

M

G

G

T

T

E

E

R

Q

S

S

K

K

G

G

T

M

K

K

I

L

F

Y

S

Q

L

I

V

S

G

G

K

P

I

V

N

K

N

R

T

P

G

G

L

V

V

Y

E

E

V

L

A

P

M

M

G

G

T

T

P

T

L

F

R

R

T

E

I

L

I

I

Y

Y

D

E

I

W

G

A

G

G

I

-

P

-

A

P

G

L

R

E

R

P

F

I

K

Q

A

A

V

I

Q

I

T

P

G

G

P

S

S

S

G

T

G

P

C

P

V

L

P

P

-

F

-

T

E

E

R

E

L

V

I

L

D

D

L

T

P

P

V

M

D

S

F

Y

E

E

K

H

L

L

K

Q

E

A

A

K

G

G

S

S

M

M

M

L

G

G

S
x
T

G

G

M

V

I

I

V

L

M

I

D

P

E

E

E

R

T

V

C

S

M

M

V

V

D

D

V

A

A

M

R

W

Y

N

F

L

L

T

N

R

F

F

L

Y

V

A

E

H

E

E

S
|
S

C
|
C

G

G

K
|
K

C
|
C

I

T

P

P

C
|
C

R

R

V

E

G

G

V

V

K

A

-

G

R

F

M

M

H

V

E

N

L

L

V

F

V

A

G

K

M

I

C

G

E

T

G

G

R

Q

A

G

R

E

P

E

G

K

D

D

I

V

E

E

K

N

L

L

E

E

E

A

L

L

C

L

Y

P

A

L

I

I

Q

E

E

G

T

R

A

S

L
x
F

C
|
C

G
x
P

L
|
L

G
x
A

K

D

S

A

A

A

P

V

N

W

P

P

V

V

L

K

S

G

T

S

L

L

Q

R

Y

H

F

F

R

K

D

D

E

Q

Y

Y

D

L

A

A

H

L

V

A

H

R

E

E

K

K

K

R

binding flavin mononucleotide: G63 (= G191), G65 (= G193), N91 (= N219), D93 (= D221), G182 (= G310), E183 (= E311), E184 (≠ S312), N218 (= N346), N219 (= N347), T222 (= T350), P400 (≠ G527)
binding 1,4-dihydronicotinamide adenine dinucleotide: G65 (= G193), G66 (= G194), F69 (= F197), K74 (= K202), F77 (≠ S205), E96 (≠ D224), Y179 (≠ F307), E184 (≠ S312), K201 (= K329), F204 (≠ H332), T324 (≠ S452)
binding iron/sulfur cluster: S351 (= S479), C352 (= C480), K354 (= K482), C355 (= C483), C358 (= C486), F398 (≠ L525), C399 (= C526), L401 (= L528), A402 (≠ G529)

7p61F Complex i from e. Coli, ddm-purified, with nadh, resting state (see paper)
42% identity, 64% coverage: 156:553/622 of query aligns to 26:425/442 of 7p61F

query
sites
7p61F

I

L

D

D

D

E

Y

Y

I

R

S

S

R

K

G

N

G

G

Y

Y

S

E

A

G

L

A

A

R

K

K

V

A

L

L

S

T

G

G

M

L

S

S

P

P

E

D

E

E

V

I

I

V

E

N

E

Q

V

V

K

K

L

D

S

A

G

G

L

L

R

K

G
|
G

R

R

G
|
G

G
x
A

G

G

F
|
F

P

S

A

T

G

G

V

L

K
|
K

W

W

E

S

S
x
L

C

M

R

P

R

K

A

D

H

E

G

S

-

M

D

N

I

I

K

R

Y

Y

V

L

M

L

C

C

N
|
N

A

A

D
|
D

E

E

G

M

D
x
E

P

P

G

G

A

T

Y

Y

M

K

D

D

R

R

S

L

L

L

L

M

E

E

G

Q

N

L

P

P

H

H

Q

L

V

L

L

V

E

E

G

G

M

M

I

L

I

I

G

S

A

A

Y

F

A

A

I

L

G

K

A

A

R

Y

E

R

G

G

Y

Y

I

I

Y

F

V

L

R

R

F

G

E

E

Y

Y

P

I

M

E

A

A

V

A

K

V

N

N

A

L

L

R

W

R

A

A

I

I

E

A

Q

E

A

A

K

T

Q

E

Y

A

G

G

L

L

G

G

D

K

N

N

I

I

L

M

G

G

T

T

S

G

F

F

S

D

L

F

D

E

I

L

H

F

V

V

N

H

R

T

G

G

A

A

G

G

A

R

F
x
Y

I

I

C

C

G
|
G

E
|
E

S
x
E

T

T

A

A

L

L

M

I

A

N

S

S

L

L

E

E

G

G

K

R

V

R

G

A

E

N

P

P

R

R

G

S

K

K

H

P

I

P

H
x
F

T

P

V

A

E

T

K

S

G

G

L

A

W

W

N

G

R

K

P

P

S

T

N

C

L

V

N
|
N

V

V

E

E

T

T

W

L

A

C

N

N

V

V

P

P

L

A

I

I

I

L

N

A

N

N

G

G

G

V

A

E

W

W

Y

Y

A

Q

S

N

I

I

G

S

T

K

E

S

R

K

S

D

K

A

G

G

T

T

K

K

I

L

F

M

S

G

L

F

V

S

G

G

K

R

I

V

N

K

N

N

T

P

G

G

L

L

V

W

E

E

V

L

A

P

M

F

G

G

T

T

P

T

L

A

R

R

T

E

I

I

I

L

Y

E

D

D

I

Y

G

A

G

G

I

M

P

R

A

D

G

G

R

L

R

K

F

F

K

K

A

A

V

W

Q

Q

T

P

G

G

P

A

S

G

G

T

G

D

C

F

V

L

P

T

E

E

R

A

L

H

I

L

D

D

L

L

P

P

V

M

D

E

F

F

E

E

K

S

L

I

K

G

E

K

A

A

G

G

S

S

M
x
R

M

L

G

G

S
x
T

G

A

G

L

M

A

I

M

V

A

M

V

D

D

E

H

E

E

T

I

C

N

M

M

V

V

D

S

V

L

A

V

R

R

Y

N

F

L

L

E

N

E

F

F

L

F

V

A

E

R

E

E

S
|
S

C
|
C

G

G

K
x
W

C
|
C

I

T

P

P

C
|
C

R

R

V

D

G

G

V

L

K

P

R

W

M

S

H

V

E

K

L

I

V

L

V

R

G

A

M

L

C

E

E

R

G

G

R

E

A

G

R

Q

P

P

G

G

D

D

I

I

E

E

K

T

L

L

E

E

E

Q

L

L

C

C

Y

R

A

F

I

L

Q

G

E

P

-

G

T

K

A

T

L
x
F

C
|
C

G
x
A

L
x
H

G

A

K

P

S

G

A

A

P

V

N

E

P

P

V

L

L

Q

S

S

T

A

L

I

Q

K

Y

Y

F

F

R

R

D

E

E

E

Y

F

D

E

A

A

H

G

V

I

H

K

E

Q

binding flavin mononucleotide: G61 (= G191), G63 (= G193), K72 (= K202), N90 (= N219), D92 (= D221), G181 (= G310), E182 (= E311), N217 (= N346), N218 (= N347), A399 (≠ G527), H400 (≠ L528)
binding 1,4-dihydronicotinamide adenine dinucleotide: G63 (= G193), G64 (= G194), A65 (≠ G195), F67 (= F197), K72 (= K202), L75 (≠ S205), E95 (≠ D224), Y178 (≠ F307), E183 (≠ S312), F203 (≠ H332), R320 (≠ M449), T323 (≠ S452)
binding iron/sulfur cluster: S350 (= S479), C351 (= C480), W353 (≠ K482), C354 (= C483), C357 (= C486), F397 (≠ L525), C398 (= C526), H400 (≠ L528)

6vw7D Formate dehydrogenase fdsabg subcomplex fdsbg from c. Necator - nadh bound (see paper)
43% identity, 67% coverage: 133:547/622 of query aligns to 97:510/514 of 6vw7D

query
sites
6vw7D

E

E

I

I

P

P

F

F

F

L

A

K

K

Q

Q

Q

E

E

R

R

L

L

V

T

F

F

K

A

D

R

T

V

G

G

T

I

N

T

F

D

V

P

T

L

D

S

I

L

D

D

Y

Y

I

R

S

A

R

H

G

E

G

G

Y

F

S

A

A

G

L

L

A

E

K

R

V

A

L

L

S

A

G

-

M

M

S

Q

P

P

E

A

E

E

V

I

I

V

E

Q

E

E

V

V

K

T

L

D

S

S

G

G

L

L

R

R

G
|
G

R

R

G
|
G

G

G

G
x
A

G

A

F
|
F

P

P

A

T

G

G

V

I

K
|
K

W

W

E

K

S
x
T

C

V

R

L

R

G

A

A

H

Q

G

S

D

A

I

V

K

K

Y

Y

V

I

M

V

C

C

N
|
N

A

A

D

D

E
|
E

G

G

D

D

P

S

G

G

A

T

Y

F

M

S

D

D

R

R

S

M

L

V

L

M

E

E

G

D

N

D

P

P

H

F

Q

M

V

L

L

I

E

E

G

G

M

M

I

T

I

I

G

A

A

A

Y

L

A

A

I

V

G

G

A

A

R

E

E

Q

G

G

Y

Y

I

I

Y

Y

V

C

R

R

F

S

E

E

Y

Y

P

P

M

H

A

A

V

I

K

A

N

V

A

L

L

E

W

S

A

A

I

I

E

G

Q

I

A

A

K

N

Q

A

Y

A

G

G

L

W

L

L

G

G

D

D

N

D

I

I

L

R

G

G

T

S

S

G

F

K

S

R

L

F

D

H

I

L

H

E

V

V

N

R

R

K

G

G

A

A

G

G

A

A

F

Y

I
x
V

C

C

G
|
G

E
|
E

S
x
E

T

T

A

A

L

L

M

L

A

E

S

S

L

L

E

E

G

G

K

R

V

R

G

G

E

V

P
x
V

R

R

G

A

K

K

H

P

I

P

H
x
L

T

P

V

A

E

L

K

Q

G

G

L

L

W

F

N

G

R

K

P

P

S

T

N

V

L

I

N
|
N

V

V

E

I

T
x
S

W

L

A

A

N

T

V

V

P

P

L

V

I

I

I

L

N

A

N

R

G

G

G

A

A

Q

W

Y

Y

Y

A

R

S

D

I

Y

G

G

T

M

E

G

R

R

S

S

K

R

G

G

T

T

K

L

I

P

F

F

S

Q

L

L

V

A

G

G

K

N

I

I

N

K

N

Q

T

G

G

G

L

L

V

V

E

E

V

K

A

A

M

F

G

G

T

V

P

T

L

L

R

R

T

E

I

L

Y

V

D

D

I

Y

G

G

I

T

P

R

A

S

G

G

R

R

R

A

F

I

K

R

A

A

V

V

Q

Q

T

V

G

G

P

P

S

L

G

G

G

A

C

Y

V

L

P

P

E

E

R

S

L

R

I

F

D

D

L

V

P

P

V

L

D

D

F

Y

E

E

K

A

L

Y

K

A

E

A

A

F

G

G

S

G

M

V

G

G

S

H

G

G

M

I

I

V

V

V

M

F

D

D

E

E

E

T

T

V

C

D

M

M

V

A

D

K

V

Q

A

A

R

R

Y

Y

F

A

L

M

N

E

F

F

L

C

V

A

E

I

E

E

S
|
S

C
|
C

G
|
G

K
|
K

C
|
C

I

T

P

P

C
|
C

R

R

V

I

G

G

V

S

K

T

R

R

M

G

H

V

E

E

L

V

V

M

V

D

G

R

M

I

C

I

E

A

G

G

R

E

A

Q

R

P

P

V

G

K

D

H

I

V

E

A

K

L

L

V

E

R

E

D

L

L

C

C

Y

D

A

T

I

M

Q

L

E

N

T

G

A

S

L
|
L

C
|
C

G
x
A

L
x
M

G
|
G

K

G

S

M

A

T

P

P

N

Y

P

P

V

V

L

L

S

S

T

A

L

L

Q

N

Y

E

F

F

R

P

D

E

E

D

Y

F

binding flavin mononucleotide: G154 (= G191), G156 (= G193), K165 (= K202), N182 (= N219), E185 (= E222), G273 (= G310), E274 (= E311), E275 (≠ S312), N309 (= N346), N310 (= N347), S313 (≠ T350), A490 (≠ G527), M491 (≠ L528)
binding 1,4-dihydronicotinamide adenine dinucleotide: A158 (≠ G195), F160 (= F197), K165 (= K202), T168 (≠ S205), E275 (≠ S312), L295 (≠ H332)
binding iron/sulfur cluster: V271 (≠ I308), V289 (≠ P326), S442 (= S479), C443 (= C480), G444 (= G481), K445 (= K482), C446 (= C483), C449 (= C486), L488 (= L525), C489 (= C526), M491 (≠ L528), G492 (= G529)

8qh7B Crystal structure of respiratory complex i subunits nuoef from aquifex aeolicus bound to reduced 3-acetylpyridine adenine dinucleotide (without reducing agent) (see paper)
44% identity, 66% coverage: 143:550/622 of query aligns to 16:415/417 of 8qh7B

query
sites
8qh7B

L

M

V

L

F

L

K

K

D

R

T

A

G

K

T

K

N

P

F

R

V

V

T

H

D

S

I

I

D

D

D

E

Y

Y

I

L

S

K

R

D

G

G

Y

Y

S

Q

A

A

L

L

A

E

K

K

V

A

L

L

S

N

G

-

M

M

S

S

P

P

E

E

V

I

I

I

E

D

E

W

V

V

K

D

L

K

S

S

G

T

L

L

R

R

G
|
G

R

R

G
|
G

G
x
A

G

G

F
|
F

P

P

A

T

G

G

V

K

K
|
K

W

W

E

K

S

F

C

A

R

V

R

Q

A

N

H

P

G

G

D

P

I

-

K

R

Y

Y

V

F

M

I

C

C

N
|
N

A

A

D
|
D

E
|
E

G

S

D
x
E

P

P

G

G

A

T

Y

F

M

K

D

D

R

R

S

I

L

I

E

E

G

R

N

D

P

P

H

H

Q

L

V

L

L

I

E

E

G

G

M

I

I

I

G

S

A

S

Y

Y

A

A

I

I

G

G

A

A

R

N

E

E

G

A

Y

Y

I

I

Y

Y

V

I

R

R

F

G

E

E

Y

Y

P

P

M

A

A

G

V

Y

K

Y

N

I

A

L

L

R

W

D

A

A

I

I

E

E

Q

E

A

A

K

K

Q

K

Y

K

G

G

L

F

L

L

G

G

D

K

N

N

I

I

L

L

G

G

T

S

S

G

F

F

S

D

L

L

D

E

I

I

H

Y

V

V

N

A

R

R

G

G

A

A

G

G

A

A

F
x
Y

I

I

C

C

G
|
G

E
|
E

S
x
E

T

T

A

A

L

L

M

I

A

E

S

S

L

L

E

E

G

G

K

K

V

R

G

G

E

H

P
|
P

R

R

G

L

K

K

H

P

I

P

H
x
Y

T

P

V

V

E

Q

K

K

G

G

L

L

W

W

N

G

R

K

P

P

S

T

N

V

L
x
V

N
|
N

V

V

E

E

T
|
T

W

I

A

A

N

N

V

V

P

P

L

F

I

I

N

S

N

M

G

G

G

W

A

E

W

E

Y

Y

A

R

S

Y

I

I

G

G

T

P

E

S

R

D

S

Y

K

A

G

G

T

P

K

K

I

L

F

F

S

P

L

V

V

S

G

G

K

K

I

V

N

K

T

P

G

G

L

V

V

Y

E

E

V

L

A

P

M

M

G

N

T

T

P

T

L

L

R

R

T

E

I

V

I

I

Y

F

D

K

I

Y

G

A

G

G

I

T

P

L

A

G

G

N

R

K

F

V

K

K

A

A

V

V

Q

F

T

S

G

G

G

A

P

L

S

D

G

-

C

C

V

F

P

S

E

S

R

E

L

E

I

L

D

D

L

I

P

P

V

M

D

D

F

Y

E

S

K

P

L

L

K

-

E

-

A

-

G

-

S

G

M

F

M

G

G

G

S

T

G

G

G

T

M

V

I

I

V

V

M

L

D

T

E

E

T

D

C

D

M

I

V

V

D

E

V

A

A

A

R

L

Y

K

F

I

L

A

N

E

F

F

L

Y

V

E

E

H

E

E

S
x
T

C
|
C

G
|
G

K
x
Q

C
|
C

I

T

P

P

C
|
C

R

R

V

V

G

G

V

C

K

Y

R

E

M

Q

H

A

E

N

L

L

V

L

V

E

G

K

M

I

C

Y

E

K

G

G

R

E

A

A

R

T

P

E

G

Q

D

D

I

W

E

E

K

G

L

F

E

D

E

F

L

V

C

N

Y

R

A

N

I

I

Q

Q

E

P

T

T

A
x
S

L
x
I

C
|
C

G

G

L
|
L

G
|
G

K

A

S

V

A

A

P

G

N

R

P

L

V

I

L

R

S

Q

T

T

L

L

Q

E

Y

K

F

F

R

P

D

E

E

E

Y

W

D

E

A

K

H

Y

binding acetyl pyridine adenine dinucleotide, reduced: G65 (= G193), G66 (= G194), A67 (≠ G195), F69 (= F197), K74 (= K202), E93 (= E222), E95 (≠ D224), Y178 (≠ F307), E183 (≠ S312), Y203 (≠ H332)
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 (= G191), G65 (= G193), K74 (= K202), N90 (= N219), D92 (= D221), E93 (= E222), G181 (= G310), E182 (= E311), V216 (≠ L345), N217 (= N346), N218 (= N347), T221 (= T350)
binding iron/sulfur cluster: P197 (= P326), T344 (≠ S479), C345 (= C480), G346 (= G481), Q347 (≠ K482), C348 (= C483), C351 (= C486), S389 (≠ A524), I390 (≠ L525), C391 (= C526), L393 (= L528), G394 (= G529)

8qg1B Crystal structure of oxidized respiratory complex i subunits nuoef from aquifex aeolicus bound to adp-ribose (see paper)
44% identity, 66% coverage: 143:550/622 of query aligns to 16:415/417 of 8qg1B

query
sites
8qg1B

L

M

V

L

F

L

K

K

D

R

T

A

G

K

T

K

N

P

F

R

V

V

T

H

D

S

I

I

D

D

D

E

Y

Y

I

L

S

K

R

D

G

G

Y

Y

S

Q

A

A

L

L

A

E

K

K

V

A

L

L

S

N

G

-

M

M

S

S

P

P

E

E

V

I

I

I

E

D

E

W

V

V

K

D

L

K

S

S

G

T

L

L

R

R

G
|
G

R

R

G
|
G

G
x
A

G

G

F
|
F

P

P

A

T

G

G

V

K

K
|
K

W

W

E

K

S

F

C

A

R

V

R

Q

A

N

H

P

G

G

D

P

I

-

K

R

Y

Y

V

F

M

I

C

C

N
|
N

A

A

D
|
D

E
|
E

G

S

D

E

P

P

G

G

A

T

Y

F

M

K

D

D

R

R

S

I

L

I

E

E

G

R

N

D

P

P

H

H

Q

L

V

L

L

I

E

E

G

G

M

I

I

I

G

S

A

S

Y

Y

A

A

I

I

G

G

A

A

R

N

E

E

G

A

Y

Y

I

I

Y

Y

V

I

R

R

F

G

E

E

Y

Y

P

P

M

A

A

G

V

Y

K

Y

N

I

A

L

L

R

W

D

A

A

I

I

E

E

Q

E

A

A

K

K

Q

K

Y

K

G

G

L

F

L

L

G

G

D

K

N

N

I

I

L

L

G

G

T

S

S

G

F

F

S

D

L

L

D

E

I

I

H

Y

V

V

N

A

R

R

G

G

A

A

G

G

A

A

F
x
Y

I

I

C

C

G
|
G

E
|
E

S
x
E

T

T

A

A

L

L

M

I

A

E

S

S

L

L

E

E

G

G

K

K

V

R

G

G

E

H

P
|
P

R

R

G

L

K

K

H

P

I

P

H
x
Y

T

P

V

V

E

Q

K

K

G

G

L

L

W

W

N

G

R

K

P

P

S

T

N

V

L
x
V

N
|
N

V

V

E

E

T
|
T

W

I

A

A

N

N

V

V

P

P

L

F

I

I

N

S

N

M

G

G

G

W

A

E

W

E

Y

Y

A

R

S

Y

I

I

G

G

T

P

E

S

R

D

S

Y

K

A

G

G

T

P

K

K

I

L

F

F

S

P

L

V

V

S

G

G

K

K

I

V

N

K

T

P

G

G

L

V

V

Y

E

E

V

L

A

P

M

M

G

N

T

T

P

T

L

L

R

R

T

E

I

V

I

I

Y

F

D

K

I

Y

G

A

G

G

I

T

P

L

A

G

G

N

R

K

F

V

K

K

A

A

V

V

Q

F

T

S

G

G

G

A

P

L

S

D

G

-

C

C

V

F

P

S

E

S

R

E

L

E

I

L

D

D

L

I

P

P

V

M

D

D

F

Y

E

S

K

P

L

L

K

-

E

-

A

-

G

-

S

G

M

F

M

G

G

G

S

T

G

G

G

T

M

V

I

I

V

V

M

L

D

T

E

E

T

D

C

D

M

I

V

V

D

E

V

A

A

A

R

L

Y

K

F

I

L

A

N

E

F

F

L

Y

V

E

E

H

E

E

S
x
T

C
|
C

G
|
G

K
x
Q

C
|
C

I

T

P

P

C
|
C

R

R

V

V

G

G

V

C

K

Y

R

E

M

Q

H

A

E

N

L

L

V

L

V

E

G

K

M

I

C

Y

E

K

G

G

R

E

A

A

R

T

P

E

G

Q

D

D

I

W

E

E

K

G

L

F

E

D

E

F

L

V

C

N

Y

R

A

N

I

I

Q

Q

E

P

T

T

A

S

L
x
I

C
|
C

G

G

L
|
L

G
|
G

K

A

S

V

A

A

P

G

N

R

P

L

V

I

L

R

S

Q

T

T

L

L

Q

E

Y

K

F

F

R

P

D

E

E

E

Y

W

D

E

A

K

H

Y

binding adenosine-5-diphosphoribose: G66 (= G194), A67 (≠ G195), F69 (= F197), K74 (= K202), E183 (≠ S312), Y203 (≠ H332)
binding flavin mononucleotide: G63 (= G191), G65 (= G193), K74 (= K202), N90 (= N219), D92 (= D221), E93 (= E222), Y178 (≠ F307), G181 (= G310), E182 (= E311), V216 (≠ L345), N217 (= N346), N218 (= N347), T221 (= T350)
binding iron/sulfur cluster: P197 (= P326), T344 (≠ S479), C345 (= C480), G346 (= G481), Q347 (≠ K482), C348 (= C483), C351 (= C486), I390 (≠ L525), C391 (= C526), L393 (= L528), G394 (= G529)

7q5yC Structure of nadh:ubichinon oxidoreductase (complex i) of the hyperthermophilic eubacterium aquifex aeolicus
44% identity, 66% coverage: 143:550/622 of query aligns to 18:417/419 of 7q5yC

query
sites
7q5yC

L

M

V

L

F

L

K

K

D

R

T

A

G

K

T

K

N

P

F

R

V

V

T

H

D

S

I

I

D

D

D

E

Y

Y

I

L

S

K

R

D

G

G

Y

Y

S

Q

A

A

L

L

A

E

K

K

V

A

L

L

S

N

G

-

M

M

S

S

P

P

E

E

V

I

I

I

E

D

E

W

V

V

K

D

L

K

S

S

G

T

L

L

R

R

G
|
G

R

R

G
|
G

G

G

G

A

G

G

F

F

P

P

A

T

G

G

V

K

K
|
K

W

W

E

K

S

F

C

A

R

V

R

Q

A

N

H

P

G

G

D

P

I

-

K

R

Y

Y

V

F

M

I

C

C

N
|
N

A

A

D

D

E
|
E

G

S

D

E

P

P

G

G

A

T

Y

F

M

K

D

D

R

R

S

I

L

I

E

E

G

R

N

D

P

P

H

H

Q

L

V

L

L

I

E

E

G

G

M

I

I

I

G

S

A

S

Y

Y

A

A

I

I

G

G

A

A

R

N

E

E

G

A

Y

Y

I

I

Y

Y

V

I

R

R

F

G

E

E

Y

Y

P

P

M

A

A

G

V

Y

K

Y

N

I

A

L

L

R

W

D

A

A

I

I

E

E

Q

E

A

A

K

K

Q

K

Y

K

G

G

L

F

L

L

G

G

D

K

N

N

I

I

L

L

G

G

T

S

S

G

F

F

S

D

L

L

D

E

I

I

H

Y

V

V

N

A

R

R

G

G

A

A

G

G

A

A

F
x
Y

I

I

C

C

G
|
G

E
|
E

S

E

T

T

A

A

L

L

M

I

A

E

S

S

L

L

E

E

G

G

K

K

V

R

G

G

E

H

P

P

R

R

G

L

K

K

H

P

I

P

H

Y

T

P

V

V

E

Q

K

K

G

G

L

L

W

W

N

G

R

K

P

P

S

T

N

V

L
x
V

N
|
N

V

V

E

E

T
|
T

W

I

A

A

N

N

V

V

P

P

L

F

I

I

N

S

N

M

G

G

G

W

A

E

W

E

Y

Y

A

R

S

Y

I

I

G

G

T

P

E

S

R

D

S

Y

K

A

G

G

T

P

K

K

I

L

F

F

S

P

L

V

V

S

G

G

K

K

I

V

N

K

T

P

G

G

L

V

V

Y

E

E

V

L

A

P

M

M

G

N

T

T

P

T

L

L

R

R

T

E

I

V

I

I

Y

F

D

K

I

Y

G

A

G

G

I

T

P

L

A

G

G

N

R

K

F

V

K

K

A

A

V

V

Q

F

T

S

G

G

G

A

P

L

S

D

G

-

C

C

V

F

P

S

E

S

R

E

L

E

I

L

D

D

L

I

P

P

V

M

D

D

F

Y

E

S

K

P

L

L

K

-

E

-

A

-

G

-

S

G

M

F

M

G

G

G

S

T

G

G

G

T

M

V

I

I

V

V

M

L

D

T

E

E

T

D

C

D

M

I

V

V

D

E

V

A

A

A

R

L

Y

K

F

I

L

A

N

E

F

F

L

Y

V

E

E

H

E

E

S
x
T

C
|
C

G
|
G

K
x
Q

C
|
C

I

T

P

P

C
|
C

R

R

V

V

G

G

V

C

K

Y

R

E

M

Q

H

A

E

N

L

L

V

L

V

E

G

K

M

I

C

Y

E

K

G

G

R

E

A

A

R

T

P

E

G

Q

D

D

I

W

E

E

K

G

L

F

E

D

E

F

L

V

C

N

Y

R

A

N

I

I

Q

Q

E

P

T

T

A
x
S

L
x
I

C
|
C

G

G

L

L

G
|
G

K

A

S

V

A

A

P

G

N

R

P

L

V

I

L

R

S

Q

T

T

L

L

Q

E

Y

K

F

F

R

P

D

E

E

E

Y

W

D

E

A

K

H

Y

binding flavin mononucleotide: G65 (= G191), G67 (= G193), K76 (= K202), N92 (= N219), E95 (= E222), Y180 (≠ F307), G183 (= G310), E184 (= E311), V218 (≠ L345), N219 (= N346), N220 (= N347), T223 (= T350)
binding iron/sulfur cluster: T346 (≠ S479), C347 (= C480), G348 (= G481), Q349 (≠ K482), C350 (= C483), C353 (= C486), S391 (≠ A524), I392 (≠ L525), C393 (= C526), G396 (= G529)

8qgwB Crystal structure of oxidized respiratory complex i subunits nuoef from aquifex aeolicus bound to oxidized 3-acetylpyridine adenine dinucleotide (see paper)
44% identity, 66% coverage: 143:550/622 of query aligns to 16:415/418 of 8qgwB

query
sites
8qgwB

L

M

V

L

F

L

K

K

D

R

T

A

G

K

T

K

N

P

F

R

V

V

T

H

D

S

I

I

D

D

D

E

Y

Y

I

L

S

K

R

D

G

G

Y

Y

S

Q

A

A

L

L

A

E

K

K

V

A

L

L

S

N

G

-

M

M

S

S

P

P

E

E

V

I

I

I

E

D

E

W

V

V

K

D

L

K

S

S

G

T

L

L

R

R

G
|
G

R

R

G
|
G

G
x
A

G

G

F
|
F

P

P

A

T

G

G

V

K

K
|
K

W

W

E

K

S

F

C

A

R

V

R

Q

A

N

H

P

G

G

D

P

I

-

K

R

Y

Y

V

F

M

I

C

C

N
|
N

A

A

D

D

E
|
E

G

S

D

E

P

P

G

G

A

T

Y

F

M

K

D

D

R

R

S

I

L

I

E

E

G

R

N

D

P

P

H

H

Q

L

V

L

L

I

E

E

G

G

M

I

I

I

G

S

A

S

Y

Y

A

A

I

I

G

G

A

A

R

N

E

E

G

A

Y

Y

I

I

Y

Y

V

I

R

R

F

G

E

E

Y

Y

P

P

M

A

A

G

V

Y

K

Y

N

I

A

L

L

R

W

D

A

A

I

I

E

E

Q

E

A

A

K

K

Q

K

Y

K

G

G

L

F

L

L

G

G

D

K

N

N

I

I

L

L

G

G

T

S

S

G

F

F

S

D

L

L

D

E

I

I

H

Y

V

V

N

A

R

R

G

G

A

A

G

G

A

A

F
x
Y

I

I

C

C

G
|
G

E
|
E

S
x
E

T

T

A

A

L

L

M

I

A

E

S

S

L

L

E

E

G

G

K

K

V

R

G

G

E

H

P
|
P

R

R

G

L

K

K

H

P

I

P

H
x
Y

T

P

V

V

E

Q

K

K

G

G

L

L

W

W

N

G

R

K

P

P

S

T

N

V

L
x
V

N
|
N

V

V

E

E

T
|
T

W

I

A

A

N

N

V

V

P

P

L

F

I

I

N

S

N

M

G

G

G

W

A

E

W

E

Y

Y

A

R

S

Y

I

I

G

G

T

P

E

S

R

D

S

Y

K

A

G

G

T

P

K

K

I

L

F

F

S

P

L

V

V

S

G

G

K

K

I

V

N

K

T

P

G

G

L

V

V

Y

E

E

V

L

A

P

M

M

G

N

T

T

P

T

L

L

R

R

T

E

I

V

I

I

Y

F

D

K

I

Y

G

A

G

G

I

T

P

L

A

G

G

N

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F

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K

A

A

V

V

Q

F

T

S

G

G

G

A

P

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D

G

-

C

C

V

F

P

S

E

S

R

E

L

E

I

L

D

D

L

I

P

P

V

M

D

D

F

Y

E

S

K

P

L

L

K

-

E

-

A

-

G

-

S

G

M

F

M

G

G

G

S

T

G

G

G

T

M

V

I

I

V

V

M

L

D

T

E

E

T

D

C

D

M

I

V

V

D

E

V

A

A

A

R

L

Y

K

F

I

L

A

N

E

F

F

L

Y

V

E

E

H

E

E

S
x
T

C
|
C

G
|
G

K
x
Q

C
|
C

I

T

P

P

C
|
C

R

R

V

V

G

G

V

C

K

Y

R

E

M

Q

H

A

E

N

L

L

V

L

V

E

G

K

M

I

C

Y

E

K

G

G

R

E

A

A

R

T

P

E

G

Q

D

D

I

W

E

E

K

G

L

F

E

D

E

F

L

V

C

N

Y

R

A

N

I

I

Q

Q

E

P

T

T

A

S

L
x
I

C
|
C

G

G

L
|
L

G
|
G

K

A

S

V

A

A

P

G

N

R

P

L

V

I

L

R

S

Q

T

T

L

L

Q

E

Y

K

F

F

R

P

D

E

E

E

Y

W

D

E

A

K

H

Y

binding 3-acetylpyridine adenine dinucleotide: G66 (= G194), A67 (≠ G195), F69 (= F197), K74 (= K202), E183 (≠ S312), Y203 (≠ H332)
binding flavin mononucleotide: G63 (= G191), G65 (= G193), K74 (= K202), N90 (= N219), E93 (= E222), Y178 (≠ F307), G181 (= G310), E182 (= E311), E183 (≠ S312), V216 (≠ L345), N217 (= N346), N218 (= N347), T221 (= T350)
binding iron/sulfur cluster: P197 (= P326), T344 (≠ S479), C345 (= C480), G346 (= G481), Q347 (≠ K482), C348 (= C483), C351 (= C486), I390 (≠ L525), C391 (= C526), L393 (= L528), G394 (= G529)

6q9cB Crystal structure of aquifex aeolicus nadh-quinone oxidoreductase subunits nuoe and nuof bound to nadh under anaerobic conditions (see paper)
44% identity, 66% coverage: 143:550/622 of query aligns to 17:416/418 of 6q9cB

query
sites
6q9cB

L

M

V

L

F

L

K

K

D

R

T

A

G

K

T

K

N

P

F

R

V

V

T

H

D

S

I

I

D

D

D

E

Y

Y

I

L

S

K

R

D

G

G

Y

Y

S

Q

A

A

L

L

A

E

K

K

V

A

L

L

S

N

G

-

M

M

S

S

P

P

E

E

V

I

I

I

E

D

E

W

V

V

K

D

L

K

S

S

G

T

L

L

R

R

G
|
G

R

R

G
|
G

G
x
A

G

G

F
|
F

P

P

A

T

G

G

V

K

K
|
K

W

W

E

K

S

F

C

A

R

V

R

Q

A

N

H

P

G

G

D

P

I

-

K

R

Y

Y

V

F

M

I

C

C

N
|
N

A

A

D
|
D

E
|
E

G

S

D
x
E

P

P

G

G

A

T

Y

F

M

K

D

D

R

R

S

I

L

I

E

E

G

R

N

D

P

P

H

H

Q

L

V

L

L

I

E

E

G

G

M

I

I

I

G

S

A

S

Y

Y

A

A

I

I

G

G

A

A

R

N

E

E

G

A

Y

Y

I

I

Y

Y

V

I

R

R

F

G

E

E

Y

Y

P

P

M

A

A

G

V

Y

K

Y

N

I

A

L

L

R

W

D

A

A

I

I

E

E

Q

E

A

A

K

K

Q

K

Y

K

G

G

L

F

L

L

G

G

D

K

N

N

I

I

L

L

G

G

T

S

S

G

F

F

S

D

L

L

D

E

I

I

H

Y

V

V

N

A

R

R

G

G

A

A

G

G

A

A

F
x
Y

I

I

C

C

G
|
G

E
|
E

S
x
E

T

T

A

A

L

L

M

I

A

E

S

S

L

L

E

E

G

G

K

K

V

R

G

G

E

H

P
|
P

R

R

G

L

K

K

H

P

I

P

H
x
Y

T

P

V

V

E

Q

K

K

G

G

L

L

W

W

N

G

R

K

P

P

S

T

N

V

L
x
V

N
|
N

V

V

E

E

T
|
T

W

I

A

A

N

N

V

V

P

P

L

F

I

I

N

S

N

M

G

G

G

W

A

E

W

E

Y

Y

A

R

S

Y

I

I

G

G

T

P

E

S

R

D

S

Y

K

A

G

G

T

P

K

K

I

L

F

F

S

P

L

V

V

S

G

G

K

K

I

V

N

K

T

P

G

G

L

V

V

Y

E

E

V

L

A

P

M

M

G

N

T

T

P

T

L

L

R

R

T

E

I

V

I

I

Y

F

D

K

I

Y

G

A

G

G

I

T

P

L

A

G

G

N

R

K

F

V

K

K

A

A

V

V

Q

F

T

S

G

G

G

A

P

L

S

D

G

-

C

C

V

F

P

S

E

S

R

E

L

E

I

L

D

D

L

I

P

P

V

M

D

D

F

Y

E

S

K

P

L

L

K

-

E

-

A

-

G

-

S

G

M

F

M

G

G

G

S

T

G

G

G

T

M

V

I

I

V

V

M

L

D

T

E

E

T

D

C

D

M

I

V

V

D

E

V

A

A

A

R

L

Y

K

F

I

L

A

N

E

F

F

L

Y

V

E

E

H

E

E

S
x
T

C
|
C

G
|
G

K
x
Q

C
|
C

I

T

P

P

C
|
C

R

R

V

V

G

G

V

C

K

Y

R

E

M

Q

H

A

E

N

L

L

V

L

V

E

G

K

M

I

C

Y

E

K

G

G

R

E

A

A

R

T

P

E

G

Q

D

D

I

W

E

E

K

G

L

F

E

D

E

F

L

V

C

N

Y

R

A

N

I

I

Q

Q

E

P

T

T

A

S

L
x
I

C
|
C

G
|
G

L
|
L

G
|
G

K

A

S

V

A

A

P

G

N

R

P

L

V

I

L

R

S

Q

T

T

L

L

Q

E

Y

K

F

F

R

P

D

E

E

E

Y

W

D

E

A

K

H

Y

binding flavin mononucleotide: G64 (= G191), G66 (= G193), K75 (= K202), N91 (= N219), D93 (= D221), E94 (= E222), G182 (= G310), E183 (= E311), E184 (≠ S312), V217 (≠ L345), N218 (= N346), N219 (= N347), T222 (= T350), G393 (= G527)
binding 1,4-dihydronicotinamide adenine dinucleotide: G66 (= G193), G67 (= G194), A68 (≠ G195), F70 (= F197), K75 (= K202), E94 (= E222), E96 (≠ D224), Y179 (≠ F307), E184 (≠ S312), Y204 (≠ H332)
binding iron/sulfur cluster: P198 (= P326), T345 (≠ S479), C346 (= C480), G347 (= G481), Q348 (≠ K482), C349 (= C483), C352 (= C486), I391 (≠ L525), C392 (= C526), L394 (= L528), G395 (= G529)

6saqB Wild-type nuoef from aquifex aeolicus bound to nadh-oh (see paper)
44% identity, 66% coverage: 143:550/622 of query aligns to 17:416/419 of 6saqB

query
sites
6saqB

L

M

V

L

F

L

K

K

D

R

T

A

G

K

T

K

N

P

F

R

V

V

T

H

D

S

I

I

D

D

D

E

Y

Y

I

L

S

K

R

D

G

G

Y

Y

S

Q

A

A

L

L

A

E

K

K

V

A

L

L

S

N

G

-

M

M

S

S

P

P

E

E

V

I

I

I

E

D

E

W

V

V

K

D

L

K

S

S

G

T

L

L

R

R

G
|
G

R

R

G
|
G

G
x
A

G

G

F
|
F

P

P

A

T

G

G

V

K

K
|
K

W

W

E

K

S

F

C

A

R

V

R

Q

A

N

H

P

G

G

D

P

I

-

K

R

Y

Y

V

F

M

I

C

C

N
|
N

A

A

D
|
D

E
|
E

G

S

D
x
E

P

P

G

G

A
x
T

Y

F

M

K

D

D

R

R

S

I

L

I

E

E

G

R

N

D

P

P

H

H

Q

L

V

L

L

I

E

E

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binding flavin mononucleotide: G64 (= G191), G66 (= G193), K75 (= K202), N91 (= N219), D93 (= D221), E94 (= E222), Y179 (≠ F307), G182 (= G310), E183 (= E311), N218 (= N346), N219 (= N347), T222 (= T350)
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 (= G193), G67 (= G194), A68 (≠ G195), F70 (= F197), K75 (= K202), E94 (= E222), E96 (≠ D224), T99 (≠ A227), E184 (≠ S312), Y204 (≠ H332), T318 (≠ S452)
binding iron/sulfur cluster: P198 (= P326), T345 (≠ S479), C346 (= C480), G347 (= G481), Q348 (≠ K482), C349 (= C483), C352 (= C486), I391 (≠ L525), C392 (= C526), G395 (= G529)

8qh4B Crystal structure of reduced respiratory complex i subunits nuoef from aquifex aeolicus bound to oxidized 3-acetylpyridine adenine dinucleotide (see paper)
44% identity, 66% coverage: 143:550/622 of query aligns to 17:416/417 of 8qh4B

query
sites
8qh4B

L

M

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binding 3-acetylpyridine adenine dinucleotide: G67 (= G194), A68 (≠ G195), F70 (= F197), K75 (= K202), E184 (≠ S312), Y204 (≠ H332)
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: G64 (= G191), G66 (= G193), K75 (= K202), N91 (= N219), E94 (= E222), Y179 (≠ F307), G182 (= G310), E183 (= E311), E184 (≠ S312), V217 (≠ L345), N218 (= N346), N219 (= N347), T222 (= T350)
binding iron/sulfur cluster: P198 (= P326), T345 (≠ S479), C346 (= C480), G347 (= G481), Q348 (≠ K482), C349 (= C483), C352 (= C486), I391 (≠ L525), C392 (= C526), L394 (= L528), G395 (= G529)

Query Sequence

>WP_073039070.1 NCBI__GCF_900129305.1:WP_073039070.1
MSGRTMERLKSIQDLDALRQQIIERRKHIRKRIRVCNGTGCHSQGAERLVDAFNRALEER
GVARDYLVVPTGCNGFCAAGPIVVIEPQEVFYQRVKPDQVEAIIERSVLADEVIEELLYV
DPTTGERIVHEYEIPFFAKQERLVFKDTGTNFVTDIDDYISRGGYSALAKVLSGMSPEEV
IEEVKLSGLRGRGGGGFPAGVKWESCRRAHGDIKYVMCNADEGDPGAYMDRSLLEGNPHQ
VLEGMIIGAYAIGAREGYIYVRFEYPMAVKNALWAIEQAKQYGLLGDNILGTSFSLDIHV
NRGAGAFICGESTALMASLEGKVGEPRGKHIHTVEKGLWNRPSNLNNVETWANVPLIINN
GGAWYASIGTERSKGTKIFSLVGKINNTGLVEVAMGTPLRTIIYDIGGGIPAGRRFKAVQ
TGGPSGGCVPERLIDLPVDFEKLKEAGSMMGSGGMIVMDEETCMVDVARYFLNFLVEESC
GKCIPCRVGVKRMHELVVGMCEGRARPGDIEKLEELCYAIQETALCGLGKSAPNPVLSTL
QYFRDEYDAHVHEKKCPAKICKPLIQYVIDTDKCTGCGLCRRRCPENAIIGAKKECHCID
EELCVRCGICIESCKFKAIYIE

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