SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_043919761.1 NCBI__GCF_000877395.1:WP_043919761.1 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)

7vw6B Cryo-em structure of formate dehydrogenase 1 from methylorubrum extorquens am1 (see paper)
58% identity, 94% coverage: 12:560/581 of query aligns to 10:556/560 of 7vw6B

query
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7vw6B

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binding fe2/s2 (inorganic) cluster: C108 (= C110), T112 (≠ S114), C113 (= C115), C141 (= C143), L144 (≠ R146), C145 (= C147)
binding flavin mononucleotide: G221 (= G222), G223 (= G224), K232 (= K233), N248 (= N249), D250 (= D251), Y324 (= Y329), G327 (= G332), E328 (= E333), N363 (≠ H368), N364 (= N369), T367 (= T372)
binding iron/sulfur cluster: I325 (= I330), P343 (= P348), S496 (= S500), C497 (= C501), G498 (= G502), Q499 (= Q503), C500 (= C504), C503 (= C507), I536 (= I540), C537 (= C541), L539 (= L543), G540 (= G544)

7p8nB Tmhydabc- t. Maritima hydrogenase with bridge closed (see paper)
34% identity, 82% coverage: 84:561/581 of query aligns to 7:540/613 of 7p8nB

query
sites
7p8nB

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binding fe2/s2 (inorganic) cluster: C31 (= C110), G33 (≠ S112), T34 (≠ L113), C36 (= C115), C67 (= C143), C68 (≠ M144), G69 (= G145), R70 (= R146), C71 (= C147)
binding flavin mononucleotide: G185 (= G222), R186 (≠ L223), G187 (= G224), N213 (= N249), D215 (= D251), E216 (= E252), G217 (= G253), F301 (≠ Y329), G304 (= G332), E305 (= E333), E306 (= E334), N340 (≠ H368), N341 (= N369), G521 (= G542), L522 (= L543)
binding iron/sulfur cluster: P320 (= P348), S473 (= S500), C474 (= C501), G475 (= G502), K476 (≠ Q503), C477 (= C504), C480 (= C507), L519 (≠ I540), C520 (= C541), L522 (= L543), G523 (= G544)
binding zinc ion: C457 (≠ S484)

Sites not aligning to the query:

binding iron/sulfur cluster: 560, 567, 570, 571, 573, 577, 590, 592, 597, 599, 600, 601, 603, 607
binding zinc ion: 544, 549, 554

6saqB Wild-type nuoef from aquifex aeolicus bound to nadh-oh (see paper)
41% identity, 65% coverage: 182:561/581 of query aligns to 25:412/419 of 6saqB

query
sites
6saqB

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I

E

E

G

G

M

I

L

I

I

I

A

S

A

S

W

Y

A

A

V

I

Q

G

A

A

E

N

R

E

V

A

Y

Y

F

I

Y

Y

M

I

R

R

D

G

E

E

Y

Y

P

P

A

A

V

G

L

Y

E

Y

I

I

L

L

R

R

R

D

E

A

I

I

A

E

A

E

L

A

E

K

R

K

A

K

G

G

L

F

I

L

E

G

P

K

G

N

Y

I

-

L

-

G

-

S

-

G

-

F

-

D

-

L

-

E

V

I

E

Y

L

V

R

A

R

R

G

G

A

A

G

G

A

A

Y
|
Y

I

I

C

C

G
|
G

E
|
E

E
|
E

S

T

A

A

M

L

I

I

E

E

S

S

I

L

E

E

G

G

K

K

R

R

G

G

L

H

P
|
P

R

R

H

L

R

K

P

P

P

P

Y
|
Y

V

P

A

V

Q

Q

V

K

G

G

L

L

F

W

G

G

R

K

P

P

T

T

L

V

V

V

H
x
N

N
|
N

V

V

E

E

T
|
T

L

I

H

A

W

N

V

V

A

P

R

F

I

I

V

I

R

S

E

M

G

G

P

W

D

E

V

E

L

Y

S

R

A

Y

H

I

E

G

R

P

N

S

G

D

R

Y

T

A

G

G

L

P

R

K

S

L

Y

F

S

P

V

V

S

S

G

G

R

K

V

V

R

K

S

K

P

P

G

G

V

V

H

Y

L

E

L

L

P

P

S

M

G

N

S

T

T

T

I

L

T

R

D

E

I

V

I

I

-

F

E

K

A

Y

A

A

G

G

G

G

M

T

A

L

E

G

G

N

H

K

V

K

F

V

K

K

A

A

Y

V

Q

F

P

S

G

G

G

-

P

-

S

A

S

L

G

D

L

C

L

F

P

S

A

S

T

E

L

E

D

L

D

D

V

I

P

P

L

M

D

D

F

Y

E

S

T

P

F

L

Q

-

E

-

H

-

G

-

S

G

F

F

I

G

G

G

S
x
T

G

G

A

T

V

V

V

I

V

V

L

L

S

T

D

E

K

E

D

D

S

D

A

I

R

V

A

E

A

A

A

A

L

L

N

K

M

I

L

A

R

E

F

F

F

Y

E

E

S

H

E

E

S
x
T

C
|
C

G
|
G

Q
|
Q

C
|
C

T

T

P

P

C
|
C

R

R

V

V

G

G

C

C

E

Y

K

E

A

Q

V

A

K

N

L

L

M

L

-

E

-

K

-

I

-

Y

-

K

-

G

Q

E

A

A

P

T

R

E

W

Q

D

D

T

W

D

E

L

G

L

F

E

D

D

F

V

V

C

N

Q

R

A

N

M

I

A

Q

D

P

A

T

S

S

I
|
I

C
|
C

G

G

L

L

G
|
G

Q

A

A

V

A

A

P

G

N

R

A

L

I

I

R

R

L

Q

T

T

I

L

R

E

H

K

F

F

T

P

D

E

E

E

binding flavin mononucleotide: G64 (= G222), G66 (= G224), K75 (= K233), N91 (= N249), D93 (= D251), E94 (= E252), Y179 (= Y329), G182 (= G332), E183 (= E333), N218 (≠ H368), N219 (= N369), T222 (= T372)
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 (= G224), G67 (= G225), A68 (= A226), F70 (= F228), K75 (= K233), E94 (= E252), E96 (= E254), T99 (= T257), E184 (= E334), Y204 (= Y354), T318 (≠ S473)
binding iron/sulfur cluster: P198 (= P348), T345 (≠ S500), C346 (= C501), G347 (= G502), Q348 (= Q503), C349 (= C504), C352 (= C507), I391 (= I540), C392 (= C541), G395 (= G544)

8qgwB Crystal structure of oxidized respiratory complex i subunits nuoef from aquifex aeolicus bound to oxidized 3-acetylpyridine adenine dinucleotide (see paper)
41% identity, 65% coverage: 182:561/581 of query aligns to 24:411/418 of 8qgwB

query
sites
8qgwB

P

P

D

R

Y

V

E

H

G

S

L

I

D

D

A

E

Y

Y

R

L

A

K

L

D

G

G

G

G

Y

Y

D

Q

A

A

L

L

-

E

-

K

-

A

L

L

D

N

L

M

R

S

A

P

G

-

G

-

D

-

W

-

E

E

A

E

V

I

Q

I

A

D

K

W

V

V

A

D

E

K

S

S

G

T

L

L

R

R

G
|
G

L

R

G
|
G

G
|
G

A
|
A

G

G

F
|
F

P

P

S

T

G

G

K

K

K
|
K

W

W

G

K

F

F

V

A

R

V

S

Q

N

N

P

P

G

G

P

P

R

R

L

Y

M

F

A

I

V

C

N
|
N

G

A

D

D

E
|
E

G

S

E

E

P

P

G

G

T

T

F

F

K

K

D

D

R

R

F

I

Y

I

L

I

E

E

R

R

V

D

P

P

H

H

L

L

A

L

L

I

E

E

G

G

M

I

L

I

I

I

A

S

A

S

W

Y

A

A

V

I

Q

G

A

A

E

N

R

E

V

A

Y

Y

F

I

Y

Y

M

I

R

R

D

G

E

E

Y

Y

P

P

A

A

V

G

L

Y

E

Y

I

I

L

L

R

R

R

D

E

A

I

I

A

E

A

E

L

A

E

K

R

K

A

K

G

G

L

F

I

L

E

G

P

K

G

N

Y

I

-

L

-

G

-

S

-

G

-

F

-

D

-

L

-

E

V

I

E

Y

L

V

R

A

R

R

G

G

A

A

G

G

A

A

Y
|
Y

I

I

C

C

G
|
G

E
|
E

E
|
E

S

T

A

A

M

L

I

I

E

E

S

S

I

L

E

E

G

G

K

K

R

R

G

G

L

H

P
|
P

R

R

H

L

R

K

P

P

P

P

Y
|
Y

V

P

A

V

Q

Q

V

K

G

G

L

L

F

W

G

G

R

K

P

P

T

T

L

V

V
|
V

H
x
N

N
|
N

V

V

E

E

T
|
T

L

I

H

A

W

N

V

V

A

P

R

F

I

I

V

I

R

S

E

M

G

G

P

W

D

E

V

E

L

Y

S

R

A

Y

H

I

E

G

R

P

N

S

G

D

R

Y

T

A

G

G

L

P

R

K

S

L

Y

F

S

P

V

V

S

S

G

G

R

K

V

V

R

K

S

K

P

P

G

G

V

V

H

Y

L

E

L

L

P

P

S

M

G

N

S

T

T

T

I

L

T

R

D

E

I

V

I

I

-

F

E

K

A

Y

A

A

G

G

G

G

M

T

A

L

E

G

G

N

H

K

V

K

F

V

K

K

A

A

Y

V

Q

F

P

S

G

G

G

-

P

-

S

A

S

L

G

D

L

C

L

F

P

S

A

S

T

E

L

E

D

L

D

D

V

I

P

P

L

M

D

D

F

Y

E

S

T

P

F

L

Q

-

E

-

H

-

G

-

S

G

F

F

I

G

G

G

S

T

G

G

A

T

V

V

V

I

V

V

L

L

S

T

D

E

K

E

D

D

S

D

A

I

R

V

A

E

A

A

A

A

L

L

N

K

M

I

L

A

R

E

F

F

F

Y

E

E

S

H

E

E

S
x
T

C
|
C

G
|
G

Q
|
Q

C
|
C

T

T

P

P

C
|
C

R

R

V

V

G

G

C

C

E

Y

K

E

A

Q

V

A

K

N

L

L

M

L

-

E

-

K

-

I

-

Y

-

K

-

G

Q

E

A

A

P

T

R

E

W

Q

D

D

T

W

D

E

L

G

L

F

E

D

D

F

V

V

C

N

Q

R

A

N

M

I

A

Q

D

P

A

T

S

S

I
|
I

C
|
C

G

G

L
|
L

G
|
G

Q

A

A

V

A

A

P

G

N

R

A

L

I

I

R

R

L

Q

T

T

I

L

R

E

H

K

F

F

T

P

D

E

E

E

binding 3-acetylpyridine adenine dinucleotide: G66 (= G225), A67 (= A226), F69 (= F228), K74 (= K233), E183 (= E334), Y203 (= Y354)
binding flavin mononucleotide: G63 (= G222), G65 (= G224), K74 (= K233), N90 (= N249), E93 (= E252), Y178 (= Y329), G181 (= G332), E182 (= E333), E183 (= E334), V216 (= V367), N217 (≠ H368), N218 (= N369), T221 (= T372)
binding iron/sulfur cluster: P197 (= P348), T344 (≠ S500), C345 (= C501), G346 (= G502), Q347 (= Q503), C348 (= C504), C351 (= C507), I390 (= I540), C391 (= C541), L393 (= L543), G394 (= G544)

8qh7B Crystal structure of respiratory complex i subunits nuoef from aquifex aeolicus bound to reduced 3-acetylpyridine adenine dinucleotide (without reducing agent) (see paper)
41% identity, 65% coverage: 182:561/581 of query aligns to 24:411/417 of 8qh7B

query
sites
8qh7B

P

P

D

R

Y

V

E

H

G

S

L

I

D

D

A

E

Y

Y

R

L

A

K

L

D

G

G

G

G

Y

Y

D

Q

A

A

L

L

-

E

-

K

-

A

L

L

D

N

L

M

R

S

A

P

G

-

G

-

D

-

W

-

E

E

A

E

V

I

Q

I

A

D

K

W

V

V

A

D

E

K

S

S

G

T

L

L

R

R

G
|
G

L

R

G
|
G

G
|
G

A
|
A

G

G

F
|
F

P

P

S

T

G

G

K

K

K
|
K

W

W

G

K

F

F

V

A

R

V

S

Q

N

N

P

P

G

G

P

P

R

R

L

Y

M

F

A

I

V

C

N
|
N

G

A

D
|
D

E
|
E

G

S

E
|
E

P

P

G

G

T

T

F

F

K

K

D

D

R

R

F

I

Y

I

L

I

E

E

R

R

V

D

P

P

H

H

L

L

A

L

L

I

E

E

G

G

M

I

L

I

I

I

A

S

A

S

W

Y

A

A

V

I

Q

G

A

A

E

N

R

E

V

A

Y

Y

F

I

Y

Y

M

I

R

R

D

G

E

E

Y

Y

P

P

A

A

V

G

L

Y

E

Y

I

I

L

L

R

R

R

D

E

A

I

I

A

E

A

E

L

A

E

K

R

K

A

K

G

G

L

F

I

L

E

G

P

K

G

N

Y

I

-

L

-

G

-

S

-

G

-

F

-

D

-

L

-

E

V

I

E

Y

L

V

R

A

R

R

G

G

A

A

G

G

A

A

Y
|
Y

I

I

C

C

G
|
G

E
|
E

E
|
E

S

T

A

A

M

L

I

I

E

E

S

S

I

L

E

E

G

G

K

K

R

R

G

G

L

H

P
|
P

R

R

H

L

R

K

P

P

P

P

Y
|
Y

V

P

A

V

Q

Q

V

K

G

G

L

L

F

W

G

G

R

K

P

P

T

T

L

V

V
|
V

H
x
N

N
|
N

V

V

E

E

T
|
T

L

I

H

A

W

N

V

V

A

P

R

F

I

I

V

I

R

S

E

M

G

G

P

W

D

E

V

E

L

Y

S

R

A

Y

H

I

E

G

R

P

N

S

G

D

R

Y

T

A

G

G

L

P

R

K

S

L

Y

F

S

P

V

V

S

S

G

G

R

K

V

V

R

K

S

K

P

P

G

G

V

V

H

Y

L

E

L

L

P

P

S

M

G

N

S

T

T

T

I

L

T

R

D

E

I

V

I

I

-

F

E

K

A

Y

A

A

G

G

G

G

M

T

A

L

E

G

G

N

H

K

V

K

F

V

K

K

A

A

Y

V

Q

F

P

S

G

G

G

-

P

-

S

A

S

L

G

D

L

C

L

F

P

S

A

S

T

E

L

E

D

L

D

D

V

I

P

P

L

M

D

D

F

Y

E

S

T

P

F

L

Q

-

E

-

H

-

G

-

S

G

F

F

I

G

G

G

S

T

G

G

A

T

V

V

V

I

V

V

L

L

S

T

D

E

K

E

D

D

S

D

A

I

R

V

A

E

A

A

A

A

L

L

N

K

M

I

L

A

R

E

F

F

F

Y

E

E

S

H

E

E

S
x
T

C
|
C

G
|
G

Q
|
Q

C
|
C

T

T

P

P

C
|
C

R

R

V

V

G

G

C

C

E

Y

K

E

A

Q

V

A

K

N

L

L

M

L

-

E

-

K

-

I

-

Y

-

K

-

G

Q

E

A

A

P

T

R

E

W

Q

D

D

T

W

D

E

L

G

L

F

E

D

D

F

V

V

C

N

Q

R

A

N

M

I

A

Q

D

P

A

T

S
|
S

I
|
I

C
|
C

G

G

L
|
L

G
|
G

Q

A

A

V

A

A

P

G

N

R

A

L

I

I

R

R

L

Q

T

T

I

L

R

E

H

K

F

F

T

P

D

E

E

E

binding acetyl pyridine adenine dinucleotide, reduced: G65 (= G224), G66 (= G225), A67 (= A226), F69 (= F228), K74 (= K233), E93 (= E252), E95 (= E254), Y178 (= Y329), E183 (= E334), Y203 (= Y354)
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 (= G222), G65 (= G224), K74 (= K233), N90 (= N249), D92 (= D251), E93 (= E252), G181 (= G332), E182 (= E333), V216 (= V367), N217 (≠ H368), N218 (= N369), T221 (= T372)
binding iron/sulfur cluster: P197 (= P348), T344 (≠ S500), C345 (= C501), G346 (= G502), Q347 (= Q503), C348 (= C504), C351 (= C507), S389 (= S539), I390 (= I540), C391 (= C541), L393 (= L543), G394 (= G544)

8qg1B Crystal structure of oxidized respiratory complex i subunits nuoef from aquifex aeolicus bound to adp-ribose (see paper)
41% identity, 65% coverage: 182:561/581 of query aligns to 24:411/417 of 8qg1B

query
sites
8qg1B

P

P

D

R

Y

V

E

H

G

S

L

I

D

D

A

E

Y

Y

R

L

A

K

L

D

G

G

G

G

Y

Y

D

Q

A

A

L

L

-

E

-

K

-

A

L

L

D

N

L

M

R

S

A

P

G

-

G

-

D

-

W

-

E

E

A

E

V

I

Q

I

A

D

K

W

V

V

A

D

E

K

S

S

G

T

L

L

R

R

G
|
G

L

R

G
|
G

G
|
G

A
|
A

G

G

F
|
F

P

P

S

T

G

G

K

K

K
|
K

W

W

G

K

F

F

V

A

R

V

S

Q

N

N

P

P

G

G

P

P

R

R

L

Y

M

F

A

I

V

C

N
|
N

G

A

D
|
D

E
|
E

G

S

E

E

P

P

G

G

T

T

F

F

K

K

D

D

R

R

F

I

Y

I

L

I

E

E

R

R

V

D

P

P

H

H

L

L

A

L

L

I

E

E

G

G

M

I

L

I

I

I

A

S

A

S

W

Y

A

A

V

I

Q

G

A

A

E

N

R

E

V

A

Y

Y

F

I

Y

Y

M

I

R

R

D

G

E

E

Y

Y

P

P

A

A

V

G

L

Y

E

Y

I

I

L

L

R

R

R

D

E

A

I

I

A

E

A

E

L

A

E

K

R

K

A

K

G

G

L

F

I

L

E

G

P

K

G

N

Y

I

-

L

-

G

-

S

-

G

-

F

-

D

-

L

-

E

V

I

E

Y

L

V

R

A

R

R

G

G

A

A

G

G

A

A

Y
|
Y

I

I

C

C

G
|
G

E
|
E

E
|
E

S

T

A

A

M

L

I

I

E

E

S

S

I

L

E

E

G

G

K

K

R

R

G

G

L

H

P
|
P

R

R

H

L

R

K

P

P

P

P

Y
|
Y

V

P

A

V

Q

Q

V

K

G

G

L

L

F

W

G

G

R

K

P

P

T

T

L

V

V
|
V

H
x
N

N
|
N

V

V

E

E

T
|
T

L

I

H

A

W

N

V

V

A

P

R

F

I

I

V

I

R

S

E

M

G

G

P

W

D

E

V

E

L

Y

S

R

A

Y

H

I

E

G

R

P

N

S

G

D

R

Y

T

A

G

G

L

P

R

K

S

L

Y

F

S

P

V

V

S

S

G

G

R

K

V

V

R

K

S

K

P

P

G

G

V

V

H

Y

L

E

L

L

P

P

S

M

G

N

S

T

T

T

I

L

T

R

D

E

I

V

I

I

-

F

E

K

A

Y

A

A

G

G

G

G

M

T

A

L

E

G

G

N

H

K

V

K

F

V

K

K

A

A

Y

V

Q

F

P

S

G

G

G

-

P

-

S

A

S

L

G

D

L

C

L

F

P

S

A

S

T

E

L

E

D

L

D

D

V

I

P

P

L

M

D

D

F

Y

E

S

T

P

F

L

Q

-

E

-

H

-

G

-

S

G

F

F

I

G

G

G

S

T

G

G

A

T

V

V

V

I

V

V

L

L

S

T

D

E

K

E

D

D

S

D

A

I

R

V

A

E

A

A

A

A

L

L

N

K

M

I

L

A

R

E

F

F

F

Y

E

E

S

H

E

E

S
x
T

C
|
C

G
|
G

Q
|
Q

C
|
C

T

T

P

P

C
|
C

R

R

V

V

G

G

C

C

E

Y

K

E

A

Q

V

A

K

N

L

L

M

L

-

E

-

K

-

I

-

Y

-

K

-

G

Q

E

A

A

P

T

R

E

W

Q

D

D

T

W

D

E

L

G

L

F

E

D

D

F

V

V

C

N

Q

R

A

N

M

I

A

Q

D

P

A

T

S

S

I
|
I

C
|
C

G

G

L
|
L

G
|
G

Q

A

A

V

A

A

P

G

N

R

A

L

I

I

R

R

L

Q

T

T

I

L

R

E

H

K

F

F

T

P

D

E

E

E

binding adenosine-5-diphosphoribose: G66 (= G225), A67 (= A226), F69 (= F228), K74 (= K233), E183 (= E334), Y203 (= Y354)
binding flavin mononucleotide: G63 (= G222), G65 (= G224), K74 (= K233), N90 (= N249), D92 (= D251), E93 (= E252), Y178 (= Y329), G181 (= G332), E182 (= E333), V216 (= V367), N217 (≠ H368), N218 (= N369), T221 (= T372)
binding iron/sulfur cluster: P197 (= P348), T344 (≠ S500), C345 (= C501), G346 (= G502), Q347 (= Q503), C348 (= C504), C351 (= C507), I390 (= I540), C391 (= C541), L393 (= L543), G394 (= G544)

6q9cB Crystal structure of aquifex aeolicus nadh-quinone oxidoreductase subunits nuoe and nuof bound to nadh under anaerobic conditions (see paper)
41% identity, 65% coverage: 182:561/581 of query aligns to 25:412/418 of 6q9cB

query
sites
6q9cB

P

P

D

R

Y

V

E

H

G

S

L

I

D

D

A

E

Y

Y

R

L

A

K

L

D

G

G

G

G

Y

Y

D

Q

A

A

L

L

-

E

-

K

-

A

L

L

D

N

L

M

R

S

A

P

G

-

G

-

D

-

W

-

E

E

A

E

V

I

Q

I

A

D

K

W

V

V

A

D

E

K

S

S

G

T

L

L

R

R

G
|
G

L

R

G
|
G

G
|
G

A
|
A

G

G

F
|
F

P

P

S

T

G

G

K

K

K
|
K

W

W

G

K

F

F

V

A

R

V

S

Q

N

N

P

P

G

G

P

P

R

R

L

Y

M

F

A

I

V

C

N
|
N

G

A

D
|
D

E
|
E

G

S

E
|
E

P

P

G

G

T

T

F

F

K

K

D

D

R

R

F

I

Y

I

L

I

E

E

R

R

V

D

P

P

H

H

L

L

A

L

L

I

E

E

G

G

M

I

L

I

I

I

A

S

A

S

W

Y

A

A

V

I

Q

G

A

A

E

N

R

E

V

A

Y

Y

F

I

Y

Y

M

I

R

R

D

G

E

E

Y

Y

P

P

A

A

V

G

L

Y

E

Y

I

I

L

L

R

R

R

D

E

A

I

I

A

E

A

E

L

A

E

K

R

K

A

K

G

G

L

F

I

L

E

G

P

K

G

N

Y

I

-

L

-

G

-

S

-

G

-

F

-

D

-

L

-

E

V

I

E

Y

L

V

R

A

R

R

G

G

A

A

G

G

A

A

Y
|
Y

I

I

C

C

G
|
G

E
|
E

E
|
E

S

T

A

A

M

L

I

I

E

E

S

S

I

L

E

E

G

G

K

K

R

R

G

G

L

H

P
|
P

R

R

H

L

R

K

P

P

P

P

Y
|
Y

V

P

A

V

Q

Q

V

K

G

G

L

L

F

W

G

G

R

K

P

P

T

T

L

V

V
|
V

H
x
N

N
|
N

V

V

E

E

T
|
T

L

I

H

A

W

N

V

V

A

P

R

F

I

I

V

I

R

S

E

M

G

G

P

W

D

E

V

E

L

Y

S

R

A

Y

H

I

E

G

R

P

N

S

G

D

R

Y

T

A

G

G

L

P

R

K

S

L

Y

F

S

P

V

V

S

S

G

G

R

K

V

V

R

K

S

K

P

P

G

G

V

V

H

Y

L

E

L

L

P

P

S

M

G

N

S

T

T

T

I

L

T

R

D

E

I

V

I

I

-

F

E

K

A

Y

A

A

G

G

G

G

M

T

A

L

E

G

G

N

H

K

V

K

F

V

K

K

A

A

Y

V

Q

F

P

S

G

G

G

-

P

-

S

A

S

L

G

D

L

C

L

F

P

S

A

S

T

E

L

E

D

L

D

D

V

I

P

P

L

M

D

D

F

Y

E

S

T

P

F

L

Q

-

E

-

H

-

G

-

S

G

F

F

I

G

G

G

S

T

G

G

A

T

V

V

V

I

V

V

L

L

S

T

D

E

K

E

D

D

S

D

A

I

R

V

A

E

A

A

A

A

L

L

N

K

M

I

L

A

R

E

F

F

F

Y

E

E

S

H

E

E

S
x
T

C
|
C

G
|
G

Q
|
Q

C
|
C

T

T

P

P

C
|
C

R

R

V

V

G

G

C

C

E

Y

K

E

A

Q

V

A

K

N

L

L

M

L

-

E

-

K

-

I

-

Y

-

K

-

G

Q

E

A

A

P

T

R

E

W

Q

D

D

T

W

D

E

L

G

L

F

E

D

D

F

V

V

C

N

Q

R

A

N

M

I

A

Q

D

P

A

T

S

S

I
|
I

C
|
C

G
|
G

L
|
L

G
|
G

Q

A

A

V

A

A

P

G

N

R

A

L

I

I

R

R

L

Q

T

T

I

L

R

E

H

K

F

F

T

P

D

E

E

E

binding flavin mononucleotide: G64 (= G222), G66 (= G224), K75 (= K233), N91 (= N249), D93 (= D251), E94 (= E252), G182 (= G332), E183 (= E333), E184 (= E334), V217 (= V367), N218 (≠ H368), N219 (= N369), T222 (= T372), G393 (= G542)
binding 1,4-dihydronicotinamide adenine dinucleotide: G66 (= G224), G67 (= G225), A68 (= A226), F70 (= F228), K75 (= K233), E94 (= E252), E96 (= E254), Y179 (= Y329), E184 (= E334), Y204 (= Y354)
binding iron/sulfur cluster: P198 (= P348), T345 (≠ S500), C346 (= C501), G347 (= G502), Q348 (= Q503), C349 (= C504), C352 (= C507), I391 (= I540), C392 (= C541), L394 (= L543), G395 (= G544)

6hl3B Wild-type nuoef from aquifex aeolicus - oxidized form bound to NAD+ (see paper)
41% identity, 65% coverage: 182:561/581 of query aligns to 24:411/416 of 6hl3B

query
sites
6hl3B

P

P

D

R

Y

V

E

H

G

S

L

I

D

D

A

E

Y

Y

R

L

A

K

L

D

G

G

G

G

Y

Y

D

Q

A

A

L

L

-

E

-

K

-

A

L

L

D

N

L

M

R

S

A

P

G

-

G

-

D

-

W

-

E

E

A

E

V

I

Q

I

A

D

K

W

V

V

A

D

E

K

S

S

G

T

L

L

R

R

G
|
G

L

R

G
|
G

G
|
G

A
|
A

G

G

F
|
F

P

P

S

T

G

G

K

K

K
|
K

W

W

G

K

F

F

V

A

R

V

S

Q

N

N

P

P

G

G

P

P

R

R

L

Y

M

F

A

I

V

C

N
|
N

G

A

D
|
D

E
|
E

G

S

E
|
E

P

P

G

G

T

T

F

F

K

K

D

D

R

R

F

I

Y

I

L

I

E

E

R

R

V

D

P

P

H

H

L

L

A

L

L

I

E

E

G

G

M

I

L

I

I

I

A

S

A

S

W

Y

A

A

V

I

Q

G

A

A

E

N

R

E

V

A

Y

Y

F

I

Y

Y

M

I

R

R

D

G

E

E

Y

Y

P

P

A

A

V

G

L

Y

E

Y

I

I

L

L

R

R

R

D

E

A

I

I

A

E

A

E

L

A

E

K

R

K

A

K

G

G

L

F

I

L

E

G

P

K

G

N

Y

I

-

L

-

G

-

S

-

G

-

F

-

D

-

L

-

E

V

I

E

Y

L

V

R

A

R

R

G

G

A

A

G

G

A

A

Y
|
Y

I
|
I

C

C

G
|
G

E
|
E

E
|
E

S

T

A

A

M

L

I

I

E

E

S

S

I

L

E

E

G

G

K

K

R

R

G

G

L

H

P
|
P

R

R

H

L

R
x
K

P

P

P

P

Y
|
Y

V

P

A

V

Q

Q

V

K

G

G

L

L

F

W

G

G

R

K

P

P

T

T

L

V

V
|
V

H
x
N

N
|
N

V

V

E

E

T
|
T

L

I

H

A

W

N

V

V

A

P

R

F

I

I

V

I

R

S

E

M

G

G

P

W

D

E

V

E

L

Y

S

R

A

Y

H

I

E

G

R

P

N

S

G

D

R

Y

T

A

G

G

L

P

R

K

S

L

Y

F

S

P

V

V

S

S

G

G

R

K

V

V

R

K

S

K

P

P

G

G

V

V

H

Y

L

E

L

L

P

P

S

M

G

N

S

T

T

T

I

L

T

R

D

E

I

V

I

I

-

F

E

K

A

Y

A

A

G

G

G

G

M

T

A

L

E

G

G

N

H

K

V

K

F

V

K

K

A

A

Y

V

Q

F

P

S

G

G

G

-

P

-

S

A

S

L

G

D

L

C

L

F

P

S

A

S

T

E

L

E

D

L

D

D

V

I

P

P

L

M

D

D

F

Y

E

S

T

P

F

L

Q

-

E

-

H

-

G

-

S

G

F

F

I

G

G

G

S

T

G

G

A

T

V

V

V

I

V

V

L

L

S

T

D

E

K

E

D

D

S

D

A

I

R

V

A

E

A

A

A

A

L

L

N

K

M

I

L

A

R

E

F

F

F

Y

E

E

S

H

E

E

S
x
T

C
|
C

G
|
G

Q
|
Q

C
|
C

T

T

P

P

C
|
C

R

R

V

V

G

G

C

C

E

Y

K

E

A

Q

V

A

K

N

L

L

M

L

-

E

-

K

-

I

-

Y

-

K

-

G

Q

E

A

A

P

T

R

E

W

Q

D

D

T

W

D

E

L

G

L

F

E

D

D

F

V

V

C

N

Q

R

A

N

M

I

A

Q

D

P

A

T

S
|
S

I
|
I

C
|
C

G

G

L
|
L

G
|
G

Q

A

A

V

A

A

P

G

N

R

A

L

I

I

R

R

L

Q

T

T

I

L

R

E

H

K

F

F

T

P

D

E

E

E

binding flavin mononucleotide: G63 (= G222), G65 (= G224), K74 (= K233), N90 (= N249), D92 (= D251), E93 (= E252), G181 (= G332), E182 (= E333), E183 (= E334), V216 (= V367), N217 (≠ H368), N218 (= N369), T221 (= T372)
binding nicotinamide-adenine-dinucleotide: G65 (= G224), G66 (= G225), A67 (= A226), F69 (= F228), K74 (= K233), E95 (= E254), Y178 (= Y329), E183 (= E334), K200 (≠ R351), Y203 (= Y354)
binding iron/sulfur cluster: I179 (= I330), P197 (= P348), T344 (≠ S500), C345 (= C501), G346 (= G502), Q347 (= Q503), C348 (= C504), C351 (= C507), S389 (= S539), I390 (= I540), C391 (= C541), L393 (= L543), G394 (= G544)

6hl2B Wild-type nuoef from aquifex aeolicus - oxidized form (see paper)
41% identity, 65% coverage: 182:561/581 of query aligns to 24:411/416 of 6hl2B

query
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6hl2B

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binding flavin mononucleotide: G63 (= G222), G65 (= G224), K74 (= K233), N90 (= N249), E93 (= E252), G181 (= G332), E182 (= E333), E183 (= E334), V216 (= V367), N217 (≠ H368), N218 (= N369), T221 (= T372)
binding iron/sulfur cluster: P197 (= P348), T344 (≠ S500), C345 (= C501), G346 (= G502), Q347 (= Q503), C348 (= C504), C351 (= C507), S389 (= S539), I390 (= I540), C391 (= C541), G394 (= G544)

8a6tB Cryo-em structure of the electron bifurcating fe-fe hydrogenase hydabc complex from thermoanaerobacter kivui in the reduced state (see paper)
39% identity, 64% coverage: 190:561/581 of query aligns to 168:554/630 of 8a6tB

query
sites
8a6tB

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