SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_084057738.1 NCBI__GCF_900176285.1:WP_084057738.1 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)

Q96XT4 2-oxoacid:ferredoxin oxidoreductase 2, subunit beta; OFOR2; EC 1.2.7.11 from Sulfurisphaera tokodaii (strain DSM 16993 / JCM 10545 / NBRC 100140 / 7) (Sulfolobus tokodaii) (see paper)
38% identity, 88% coverage: 11:264/288 of query aligns to 7:274/304 of Q96XT4

query
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Q96XT4

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C12 (= C16) binding [4Fe-4S] cluster
C15 (= C19) binding [4Fe-4S] cluster
IGCS 44:47 (≠ IGQA 48:51) binding thiamine diphosphate
C46 (≠ Q50) binding [4Fe-4S] cluster
D90 (≠ E92) binding Mg(2+)
GD 91:92 (= GD 93:94) binding thiamine diphosphate
N118 (= N120) binding Mg(2+)
V120 (≠ I122) binding Mg(2+)
GL 122:123 (≠ AL 124:125) binding thiamine diphosphate
C197 (= C199) binding [4Fe-4S] cluster

5b46B 2-oxoacid:ferredoxin oxidoreductase 2 from sulfolobus tokodai - ligand free form (see paper)
38% identity, 88% coverage: 11:264/288 of query aligns to 4:271/301 of 5b46B

query
sites
5b46B

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binding magnesium ion: D87 (≠ E92), N115 (= N120), V117 (≠ I122)
binding iron/sulfur cluster: W8 (= W15), C9 (= C16), C12 (= C19), C43 (≠ Q50), C194 (= C199), T196 (= T201), Y197 (≠ W202)
binding thiamine diphosphate: I41 (= I48), G42 (= G49), C43 (≠ Q50), S44 (≠ A51), H62 (= H67), G86 (= G91), G88 (= G93), D89 (= D94), N115 (= N120), V117 (≠ I122), Y118 (= Y123), G119 (≠ A124), L120 (= L125), T121 (= T126)

6n2oD 2-oxoglutarate:ferredoxin oxidoreductase from magnetococcus marinus with 2-oxoglutarate, coenzyme a and succinyl-coa bound (see paper)
33% identity, 94% coverage: 7:278/288 of query aligns to 16:286/291 of 6n2oD

query
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6n2oD

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binding magnesium ion: D101 (≠ E92), N129 (= N120), I131 (= I122)
binding succinyl-coenzyme a: I57 (= I48), R62 (≠ K53), L134 (= L125), K136 (= K127)
binding iron/sulfur cluster: W24 (= W15), C25 (= C16), C28 (= C19), C59 (≠ Q50), C208 (= C199), T210 (= T201), F211 (≠ W202)
binding thiamine diphosphate: I57 (= I48), G58 (= G49), C59 (≠ Q50), S60 (≠ A51), H76 (= H67), G102 (= G93), D103 (= D94), N129 (= N120), I131 (= I122), G133 (≠ A124), L134 (= L125), T135 (= T126)

6n2oB 2-oxoglutarate:ferredoxin oxidoreductase from magnetococcus marinus with 2-oxoglutarate, coenzyme a and succinyl-coa bound (see paper)
33% identity, 94% coverage: 7:278/288 of query aligns to 16:286/291 of 6n2oB

query
sites
6n2oB

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binding 2-oxoglutaric acid: R62 (≠ K53), L134 (= L125)
binding coenzyme a: K136 (= K127), Y150 (≠ S141)
binding magnesium ion: D101 (≠ E92), N129 (= N120), I131 (= I122)
binding iron/sulfur cluster: W24 (= W15), C25 (= C16), C28 (= C19), C59 (≠ Q50), C208 (= C199), T210 (= T201), F211 (≠ W202)
binding thiamine diphosphate: I57 (= I48), G58 (= G49), C59 (≠ Q50), S60 (≠ A51), H76 (= H67), G102 (= G93), D103 (= D94), N129 (= N120), I131 (= I122), Y132 (= Y123), G133 (≠ A124), L134 (= L125), T135 (= T126)

6n2nB Crystal structure of 2-oxoglutarate:ferredoxin oxidoreductase from magnetococcus marinus (see paper)
33% identity, 94% coverage: 7:278/288 of query aligns to 16:286/291 of 6n2nB

query
sites
6n2nB

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Y

R

R

A

A

F

M

V

A

D

E

L

L

Q

G

L

I

E

D

P

S

H

T

Q

K

V

F

C

A

L

A

V

I

S

S

G

G

I
|
I

G
|
G

Q
x
C

A
x
S

A

S

K

R

L

M

P

P

H

Y

Y

F

L

V

R

D

C

S

N

Y

F

K

F

M

N

H

G

T

L

L

H
|
H

G

G

R

R

A

A

I

G

P

A

V

V

A

A

L

T

G

G

I

T

H

Q

A

V

A

A

N

R

P

P

T

D

L

L

T

C

T

V

V

V

T

A

T

G

G
|
G

E
x
D

G
|
G

D
|
D

C

G

Y

F

G

S

E

I

G

G

N

G

H

H

L

M

L

P

H

H

A

M

F

A

R

R

R

K

N

N

P

V

N

N

M

M

T

T

V

Y

V

V

V

L

H

M

N

D

N
|
N

E

G

I
|
I

Y
|
Y

A
x
G

L
|
L

T
|
T

K

K

G

G

Q

Q

G

Y

S

S

P

P

T

T

T

S

P

R

V

P

G

E

E

M

V

T

R

A

S

Y

L

T

Q

T

V

P

H

Y

G

G

V

G

E

P

M

E

T

N

P

P

L

M

N

N

M

P

P

L

A

L

V

Y

A

M

V

L

L

T

H

Y

D

G

G

A

A

T

F

Y

V

V

A

A

R

Q

G

A

F

F

A

A

A

G

D

K

P

P

D

K

H

D

L

C

K

A

D

E

L

L

L

I

V

K

E

G

A

A

V

M

R

E

C

H

P

E

G

G

L

F

S

A

L

Y

V

V

E

N

V

I

I

F

Q

S

P

Q

C
|
C

I

P

T
|
T

W
x
F

G

N

P

K

-

I

H

D

P

T

V

V

S

D

W

F

Y

Y

K

R

E

D

R

L

L

V

R

E

P

P

V

I

P

P

T

E

D

D

H

H

D

D

P

T

T

S

N

D

R

L

E

G

A

A

L

M

R

E

L

L

L

A

L

R

G

R

Q

P

D

G

G

G

R

K

F

A

V

P

T

T

G

G

V

L

I

L

Y

Y

R

K

G

-

T

T

E

S

R

A

P

P

L

T

F

L

G

D

H

Q

-

N

-

L

-

A

R

K

F

I

R

R

S

E

A

R

V

L

G

G

N

-

E

-

P

-

L

-

G

G

R

H

L

V

G

G

F

Y

P

D

E

K

N

N

D

K

V

I

binding magnesium ion: D101 (≠ E92), N129 (= N120), I131 (= I122)
binding iron/sulfur cluster: W24 (= W15), C25 (= C16), C28 (= C19), H30 (≠ N21), C59 (≠ Q50), C208 (= C199), T210 (= T201), F211 (≠ W202)
binding thiamine diphosphate: I57 (= I48), G58 (= G49), C59 (≠ Q50), S60 (≠ A51), H76 (= H67), G100 (= G91), D101 (≠ E92), G102 (= G93), D103 (= D94), N129 (= N120), I131 (= I122), Y132 (= Y123), G133 (≠ A124), L134 (= L125), T135 (= T126)

Q96Y68 2-oxoacid:ferredoxin oxidoreductase 1, subunit beta; OFOR1; EC 1.2.7.11 from Sulfurisphaera tokodaii (strain DSM 16993 / JCM 10545 / NBRC 100140 / 7) (Sulfolobus tokodaii) (see 2 papers)
38% identity, 90% coverage: 1:260/288 of query aligns to 1:270/305 of Q96Y68

query
sites
Q96Y68

M

M

N

A

V

A

H

F

D

K

P

P

F

Q

Q

W

N

N

D

D

V

-

E

-

I

-

Q

-

W

W

C
|
C

P

P

G

G

C
|
C

P

G

N

N

F

F

G

G

I

I

L

L

T

N

A

A

L

E

K

Q

R

Q

A

A

F

I

V

V

D

E

L

L

Q

G

L

V

E

D

P

T

H

K

Q

N

V

V

C

V

L

V

V

V

S

S

G

G

I

I

G

G

Q
x
C

A

S

A

G

K
|
K

L

I

P

P

H

H

Y

F

L

F

R

R

C

T

-

P

-

I

N

S

F

G

F

V

N

H

G

T

L

L

H

H

G

G

R

R

A

A

I

I

P

A

V

F

A

A

L

T

G

G

I

I

H

K

A

L

A

S

N

N

P

P

T

D

L

L

T

V

V

I

V

V

T

N

T

G

G

G

E
x
D

G
|
G

D
|
D

C

L

Y

L

G

G

E

I

G

G

G

A

N

G

H

H

L

F

L

V

H

A

A

A

F

G

R

R

N

N

P

V

N

D

M

M

T

V

V

V

V

I

V

L

H

H

N

D

N
|
N

E

G

I
x
V

Y

Y

A
x
G

L
|
L

T

T

K
|
K

G

G

Q

Q

G

A

S

S

P

P

T

T

T

L

P

K

V

R

G

G

E

E

V

K

-

P

R

K

S

S

L

L

Q

P

V

R

H

P

G

N

V

I

E

N

M

-

T

D

P

A

L

V

N

N

M

P

P

I

A

A

V

L

A

A

V

I

L

S

H

S

D

G

G

Y

A

T

F

F

V

V

A

A

R

R

G

G

F

Y

A

A

A

Y

D

D

P

V

D
x
K

H

H

L

L

K

K

D

E

L

L

L

I

V

K

E

S

A

A

V

I

R

K

C

H

P

K

G

G

L

L

S

A

L

L

V

I

E

D

V

V

I

L

Q

Q

P

P

C
|
C

I

P

T

T

W

Y

G

N

P

D

-

I

H

N

P

T

V

K

S

E

W

W

Y

Y

K

D

E

K

R

R

L

I

R

Y

P

K

V

L

P

D

T

T

-

L

-

P

D

D

H

W

D

D

P

P

T

V

N

V

R

K

-

K

-

P

-

E

-

V

-

N

-

E

-

K

-

I

E

K

A

R

A

A

L

I

R

D

L

K

L

S

L

L

G

E

Q

W

D

G

G

D

R

R

F

I

V

P

T

I

G

G

V

I

I

F

Y

Y

R

Q

G

N

T

E

E

L

R

V

P

P

L

S

F

Y

G

E

H

E

R

R

F

I

R

K

S

A

C12 (= C16) binding [4Fe-4S] cluster
C15 (= C19) binding [4Fe-4S] cluster
C46 (≠ Q50) binding [4Fe-4S] cluster
K49 (= K53) mutation to I: Loss of oxidoreductase activity toward 2-oxoglutarate but retains its activity toward pyruvate.
D90 (≠ E92) binding Mg(2+)
GD 91:92 (= GD 93:94) binding thiamine diphosphate
N118 (= N120) binding Mg(2+)
V120 (≠ I122) binding Mg(2+)
GL 122:123 (≠ AL 124:125) binding thiamine diphosphate
K125 (= K127) Plays an important role in the binding of CoA; mutation to A: Shows a strong decrease of affinity for CoA and a poor inactivation by 4-fluoro-7-nitrobenzofurazan (NBD-F).
K173 (≠ D175) mutation to A: Same oxidoreductase activity as the wild-type.
C197 (= C199) binding [4Fe-4S] cluster

P72579 2-oxoacid:ferredoxin oxidoreductase subunit beta; OFOR; EC 1.2.7.11 from Sulfolobus sp. (see paper)
38% identity, 90% coverage: 1:260/288 of query aligns to 1:270/305 of P72579

query
sites
P72579

M

M

N

A

V

A

H

F

D

T

P

P

F

Q

Q

W

N

N

D

D

V

-

E

-

I

-

Q

-

W

W

C

C

P

P

G

G

C

C

P

G

N

N

F

F

G

G

I

I

L

L

T

N

A

A

L

E

K

Q

R

Q

A

A

F

I

V

V

D

E

L

L

Q

G

L

V

E

D

P

T

H

K

Q

N

V

V

C

V

L

V

V

V

S

S

G

G

I

I

G

G

Q

C

A

S

A

G

K
|
K

L

I

P

P

H

H

Y

F

L

F

R

R

C

T

-

P

-

I

N

S

F

G

F

V

N

H

G

T

L

L

H

H

G

G

R

R

A

A

I

I

P

A

V

F

A

A

L

T

G

G

I

I

H

K

A

L

A

S

N

N

P

P

T

D

L

L

T

V

V

I

V

V

T

N

T

G

G

G

E

D

G

G

D

D

C

L

Y

L

G

G

E

I

G

G

G

A

N

G

H

H

L

F

L

V

H

A

A

A

F

G

R

R

N

N

P

V

N

D

M

M

T

V

V

V

V

I

V

L

H

H

N

D

N

N

E

G

I

V

Y

Y

A

G

L
|
L

T

T

K

K

G

G

Q

Q

G

A

S

S

P

P

T

T

T

L

P

K

V

R

G

G

E

E

V

K

-

P

R

K

S

S

L

L

Q

P

V

R

H

P

G

N

V

I

E

N

M

-

T

D

P

A

L

V

N

N

M

P

P

I

A

A

V

L

A

A

V

I

L

S

H

S

D

G

G

Y

A

T

F

F

V

V

A

A

R

R

G

G

F

Y

A

A

A

Y

D

D

P

V

D

K

H

H

L

L

K

K

D

E

L

L

L

I

V

K

E

S

A

A

V

I

R

K

C

H

P

K

G

G

L

L

S

A

L

L

V

I

E

D

V

V

I

L

Q

Q

P

P

C

C

I

P

T

T

W

Y

G

N

P

D

-

I

H

N

P

T

V

K

S

E

W

W

Y

Y

K

D

E

K

R

R

L

I

R

Y

P

K

V

L

P

D

T

T

-

L

-

P

D

D

H

W

D

D

P

P

T

V

N

V

R

K

-

K

-

P

-

E

-

V

-

N

-

E

-

K

-

I

E

K

A

R

A

A

L

I

R

D

L

K

L

S

L

L

G

E

Q

W

D

G

G

D

R

R

F

I

V

P

T

I

G

G

V

I

I

F

Y

Y

R

Q

G

N

T

E

E

L

R

V

P

P

L

S

F

Y

G

E

H

E

R

R

F

I

R

K

S

A

K49 (= K53) mutation to I: Strong decrease of the oxidoreductase activity with pyruvate, 2-oxobutyrate and 2-oxoglutarate.; mutation to R: Increase the oxidoreductase activity with pyruvate.; mutation to V: Slight decrease of the oxidoreductase activity with pyruvate, 2-oxobutyrate and 2-oxoglutarate.
L123 (= L125) mutation L->A,I: Strong decrease of the oxidoreductase activity with pyruvate, 2-oxobutyrate and 2-oxoglutarate.; mutation to N: Strong decrease of the oxidoreductase activity with pyruvate and 2-oxobutyrate. However, this mutant shows almost the same activity with 2-oxoglutarate as the wild-type.

5b48B 2-oxoacid:ferredoxin oxidoreductase 1 from sulfolobus tokodai (see paper)
38% identity, 86% coverage: 14:260/288 of query aligns to 6:252/286 of 5b48B

query
sites
5b48B

Q

D

W

W

C
|
C

P

P

G

G

C
|
C

P

G

N

N

F

F

G

G

I

I

L

L

T

N

A

A

L

E

K

Q

R

Q

A

A

F

I

V

V

D

E

L

L

Q

G

L

V

E

D

P

T

H

K

Q

N

V

V

C

V

L

V

V

V

S

S

G

G

I
|
I

G
|
G

Q
x
C

A
x
S

A

G

K

K

L

I

P

P

H

H

Y

F

L

T

R

P

C

I

N

S

F

G

F

V

N

H

G

T

L

L

H
|
H

G

G

R

R

A

A

I

I

P

A

V

F

A

A

L

T

G

G

I

I

H

K

A

L

A

S

N

N

P

P

T

D

L

L

T

V

V

I

V

V

T

N

T

G

G

G

E
x
D

G
|
G

D
|
D

C

L

Y

L

G

G

E

I

G

G

G

A

N

G

H

H

L

F

L

V

H

A

A

A

F

G

R

R

N

N

P

V

N

D

M

M

T

V

V

V

V

I

V

L

H

H

N

D

N
|
N

E

G

I
x
V

Y
|
Y

A
x
G

L
|
L

T

T

K

K

G

G

Q

Q

G

A

S

S

P

P

T

T

T

L

P

K

V

R

G

G

E

E

V

N

R

I

S

N

L

D

Q

A

V

V

H

N

G

P

V

I

E

-

M

-

T

-

P

-

L

-

N

-

M

-

P

-

A

A

V

L

A

A

V

I

L

S

H

S

D

G

G

Y

A

T

F

F

V

V

A

A

R

R

G

G

F

Y

A

A

A

Y

D

D

P

V

D

K

H

H

L

L

K

K

D

E

L

L

L

I

V

K

E

S

A

A

V

I

R

K

C

H

P

K

G

G

L

L

S

A

L

L

V

I

E

D

V

V

I

L

Q

Q

P

P

C
|
C

I

P

T
|
T

W

Y

G

N

P

D

-

I

H

N

P

T

V

K

S

E

W

W

Y

R

K

I

E

Y

R

K

L

L

R

D

P

T

V

L

P

P

T

-

D

D

H

W

D

D

P

P

T

V

N

V

R

K

-

K

-

P

-

E

E

E

A

V

A

N

L

E

R

K

L

I

L

K

L

R

G

A

Q

I

D

D

-

K

-

S

-

L

-

E

-

W

G

G

R

D

F

I

V

P

T

I

G

G

V

I

I

F

Y

Y

R

Q

G

N

T

E

E

L

R

V

P

P

L

S

F

Y

G

E

H

E

R

R

F

I

R

K

S

A

binding magnesium ion: D84 (≠ E92), N112 (= N120), V114 (≠ I122)
binding iron/sulfur cluster: C8 (= C16), C11 (= C19), C42 (≠ Q50), C183 (= C199), T185 (= T201)
binding 2-[(2E)-3-[(4-azanyl-2-methyl-pyrimidin-5-yl)methyl]-4-methyl-2-(1-oxidanylpropylidene)-1,3-thiazol-5-yl]ethyl phosphono hydrogen phosphate: I40 (= I48), G41 (= G49), C42 (≠ Q50), S43 (≠ A51), H59 (= H67), G85 (= G93), D86 (= D94), N112 (= N120), V114 (≠ I122), Y115 (= Y123), G116 (≠ A124), L117 (= L125)

5b47B 2-oxoacid:ferredoxin oxidoreductase 2 from sulfolobus tokodai - pyruvate complex (see paper)
36% identity, 88% coverage: 13:264/288 of query aligns to 2:245/275 of 5b47B

query
sites
5b47B

I

V

Q

D

W

W

C
|
C

P

P

G

G

C
|
C

P

G

N

D

F

F

G

G

I

I

L

L

T

R

A

A

L

E

K

E

R

M

A

A

F

I

V

R

D

E

L

L

Q

G

L

I

E

N

P

P

H

K

Q

S

V

V

C

V

L

I

V

V

S

S

G

G

I
|
I

G
|
G

Q
x
C

A
x
S

A

G

K

K

L

I

P

P

H

H

Y

F

L

M

R

N

-

L

-

P

C

I

N

S

F

G

F

V

N

H

G

T

L

L

H
|
H

G

G

R

R

A

S

I

I

P

A

V

F

A

A

L

T

G

G

I

I

H

K

A

L

A

S

N

N

P

P

T

S

L

L

T

E

T

V

V

I

V

V

T

N

T

V

G

G

E
x
D

G
|
G

D
|
D

C

G

Y

L

G

G

E

I

G

G

G

M

N

G

H

H

L

F

L

V

H

H

A

L

F

G

R

R

N

N

P

I

N

D

M

I

T

A

V

V

V

L

V

V

H

H

N

N

N
|
N

E

G

I
x
V

Y
|
Y

A

G

L
|
L

T

-

K

-

G

-

Q

Q

G

A

S

S

P

P

T

T

T

L

P

H

V

R

G

G

E

E

V

N

R

I

S

-

L

-

Q

-

V

-

H

-

G

-

V

-

E

-

M

M

T

D

P

A

L

V

N

N

M

P

P

L

A

A

V

V

A

A

V

L

L

A

H

A

D

G

G

Y

A

T

F

F

V

V

A

A

R

R

G

G

F

Y

A

A

A

Y

D

D

P

V

D

M

H

H

L

L

K

K

D

E

L

L

L

I

V

K

E

K

A

A

V

I

R

L

C

H

P

K

G

G

L

S

S

A

L

L

V

V

E

D

V

I

I

L

Q

Q

P

P

C
|
C

I

P

T

T

W

Y

G

R

P

V

H

Y

P

K

V

L

S

D

-

N

-

V

-

P

-

G

W

W

Y

-

K

-

E

-

R

-

L

-

R

D

P

P

V

V

P

V

T

R

D

K

H

E

D

E

P

E

T

A

N

Q

R

K

-

K

-

F

E

E

A

Q

A

A

L

I

R

M

L

K

L

S

L

Y

G

E

Q

W

D

G

G

E

R

K

F

I

V

P

T

I

G

G

V

I

I

F

Y

Y

R

Q

G

N

T

E

E

L

R

V

P

P

L

T

F

F

G

E

H

D

R

R

F

L

R

T

S

S

A

N

V

I

G

P

N

N

binding magnesium ion: D83 (≠ E92), N111 (= N120)
binding iron/sulfur cluster: C5 (= C16), C8 (= C19), C39 (≠ Q50), C179 (= C199)
binding thiamine diphosphate: I37 (= I48), G38 (= G49), C39 (≠ Q50), S40 (≠ A51), H58 (= H67), G84 (= G93), D85 (= D94), N111 (= N120), V113 (≠ I122), Y114 (= Y123), L116 (= L125)

6cioA Pyruvate:ferredoxin oxidoreductase from moorella thermoacetica with lactyl-tpp bound (see paper)
27% identity, 48% coverage: 88:226/288 of query aligns to 962:1101/1164 of 6cioA

query
sites
6cioA

V

I

T

I

T

G

G
|
G

E
x
D

G
|
G

D

W

C

A

Y

Y

G

D

E

I

G

G

G

Y

N

G

H

G

L

L

L

D

H

H

A

V

F

L

R

A

R

S

N

G

P

A

N

N

M

V

T

N

V

V

V

L

V

V

H

L

N

D

N
x
T

E

E

I
x
V

Y
|
Y

A
x
S

L
x
N

T
|
T

K

G

G

G

Q

Q

G

S

S

S

P

K

T

A

T

T

P

Q

V

T

G

G

E

A

V

V

R

A

S

R

L

F

Q

A

V

A

H

G

G

G

V

K

E

F

M

T

T

K

P

K

L

K

N

D

M

L

P

G

A

L

V

M

A

A

V

M

L

S

H

Y

D

G

G

Y

A

V

F

Y

V

V

A

A

R

S

-

V

G

A

F

M

A

G

A

A

D

S

P

H

D

S

H

Q

L

L

K

M

D

K

L

A

L

L

V

I

E

E

A

A

V

E

R

K

C

Y

P

D

G

G

L

P

S

S

L

L

V

I

E

I

V

A

I

Y

Q

A

P

P

C
|
C

I
|
I

T

N

W

H

G

G

P

I

H

N

P

M

V

T

S

Y

W

S

Y

Q

K

R

E

E

R

A

L

K

R

K

P

A

V

V

P

E

T

A

D

G

H

Y

D

W

P

P

T

L

N

Y

R

R

active site: N999 (≠ L125)
binding magnesium ion: D966 (≠ E92), T994 (≠ N120), V996 (≠ I122)
binding iron/sulfur cluster: C1074 (= C199), I1075 (= I200)
binding 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-carboxy-1-hydroxyethyl)-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium: G965 (= G91), D966 (≠ E92), G967 (= G93), V996 (≠ I122), Y997 (= Y123), S998 (≠ A124), N999 (≠ L125), T1000 (= T126)

Sites not aligning to the query:

active site: 28, 61, 111
binding iron/sulfur cluster: 455, 678, 680, 685, 686, 688, 689, 691, 695, 699, 700, 734, 741, 742, 744, 745, 747, 751, 757, 758, 807, 808, 811, 813, 836
binding 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-carboxy-1-hydroxyethyl)-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium: 26, 27, 28, 61, 85, 111, 813, 834, 835, 836, 865

6cipA Pyruvate:ferredoxin oxidoreductase from moorella thermoacetica with acetyl-tpp bound (see paper)
27% identity, 48% coverage: 88:226/288 of query aligns to 962:1101/1165 of 6cipA

query
sites
6cipA

V

I

T

I

T

G

G
|
G

E
x
D

G
|
G

D

W

C

A

Y

Y

G

D

E

I

G

G

G

Y

N

G

H

G

L

L

L

D

H

H

A

V

F

L

R

A

R

S

N

G

P

A

N

N

M

V

T

N

V

V

V

L

V

V

H

L

N

D

N
x
T

E

E

I
x
V

Y

Y

A
x
S

L
x
N

T

T

K

G

G

G

Q

Q

G

S

S

S

P

K

T

A

T

T

P

Q

V

T

G

G

E

A

V

V

R

A

S

R

L

F

Q

A

V

A

H

G

G

G

V

K

E

F

M

T

T

K

P

K

L

K

N

D

M

L

P

G

A

L

V

M

A

A

V

M

L

S

H

Y

D

G

G

Y

A

V

F

Y

V

V

A

A

R

S

-

V

G

A

F

M

A

G

A

A

D

S

P

H

D

S

H

Q

L

L

K

M

D

K

L

A

L

L

V

I

E

E

A

A

V

E

R

K

C

Y

P

D

G

G

L

P

S

S

L

L

V

I

E

I

V

A

I

Y

Q

A

P

P

C
|
C

I

I

T

N

W

H

G

G

P

I

H

N

P

M

V

T

S

Y

W

S

Y

Q

K

R

E

E

R

A

L

K

R

K

P

A

V

V

P

E

T

A

D

G

H

Y

D

W

P

P

T

L

N

Y

R

R

active site: N999 (≠ L125)
binding 2-acetyl-thiamine diphosphate: G965 (= G91), D966 (≠ E92), G967 (= G93), V996 (≠ I122), S998 (≠ A124), N999 (≠ L125)
binding magnesium ion: D966 (≠ E92), T994 (≠ N120), V996 (≠ I122)
binding iron/sulfur cluster: S998 (≠ A124), C1074 (= C199)

Sites not aligning to the query:

active site: 28, 61, 111
binding 2-acetyl-thiamine diphosphate: 27, 61, 85, 111, 813, 834, 835, 836, 865
binding iron/sulfur cluster: 455, 678, 680, 685, 686, 688, 689, 691, 695, 699, 700, 734, 741, 742, 744, 745, 747, 751, 757, 758, 807, 808, 811, 813, 836

6ciqA Pyruvate:ferredoxin oxidoreductase from moorella thermoacetica with coenzyme a bound (see paper)
27% identity, 48% coverage: 88:226/288 of query aligns to 962:1101/1169 of 6ciqA

query
sites
6ciqA

V

I

T

I

T

G

G
|
G

E
x
D

G
|
G

D

W

C

A

Y

Y

G

D

E

I

G

G

G

Y

N

G

H

G

L

L

L

D

H

H

A

V

F

L

R

A

R

S

N

G

P

A

N

N

M

V

T

N

V

V

V

L

V

V

H

L

N

D

N
x
T

E

E

I
x
V

Y
|
Y

A
x
S

L
x
N

T
|
T

K

G

G

G

Q

Q

G

S

S

S

P

K

T

A

T

T

P

Q

V

T

G

G

E

A

V

V

R

A

S

R

L

F

Q

A

V

A

H

G

G

G

V

K

E

F

M

T

T

K

P

K

L

K

N

D

M

L

P

G

A

L

V

M

A

A

V

M

L

S

H

Y

D

G

G

Y

A

V

F

Y

V

V

A

A

R

S

-

V

G

A

F

M

A

G

A

A

D

S

P

H

D

S

H

Q

L

L

K

M

D

K

L

A

L

L

V

I

E

E

A

A

V

E

R

K

C

Y

P

D

G

G

L

P

S

S

L

L

V

I

E

I

V

A

I

Y

Q

A

P

P

C
|
C

I
|
I

T

N

W

H

G

G

P

I

H

N

P

M

V

T

S

Y

W

S

Y

Q

K

R

E

E

R

A

L

K

R

K

P

A

V

V

P

E

T

A

D

G

H

Y

D

W

P

P

T

L

N

Y

R

R

active site: N999 (≠ L125)
binding coenzyme a: N999 (≠ L125)
binding magnesium ion: D966 (≠ E92), T994 (≠ N120), V996 (≠ I122)
binding iron/sulfur cluster: S998 (≠ A124), C1074 (= C199), I1075 (= I200)
binding thiamine diphosphate: G965 (= G91), D966 (≠ E92), G967 (= G93), V996 (≠ I122), Y997 (= Y123), S998 (≠ A124), N999 (≠ L125), T1000 (= T126)

Sites not aligning to the query:

active site: 28, 61, 111
binding coenzyme a: 28, 423, 424, 427, 428, 553, 586
binding iron/sulfur cluster: 678, 680, 685, 686, 688, 689, 691, 695, 696, 700, 734, 741, 742, 743, 744, 745, 747, 751, 757, 807, 808, 811, 813, 836
binding thiamine diphosphate: 26, 27, 61, 85, 813, 835, 836, 865

6cinB Crystal structure of pyruvate:ferredoxin oxidoreductase from moorella thermoacetica (see paper)
27% identity, 48% coverage: 88:226/288 of query aligns to 962:1101/1169 of 6cinB

query
sites
6cinB

V

I

T

I

T

G

G
|
G

E
x
D

G
|
G

D

W

C

A

Y

Y

G

D

E

I

G

G

G

Y

N

G

H

G

L

L

L

D

H

H

A

V

F

L

R

A

R

S

N

G

P

A

N

N

M

V

T

N

V

V

V

L

V

V

H

L

N

D

N
x
T

E

E

I
x
V

Y
|
Y

A
x
S

L
x
N

T
|
T

K

G

G

G

Q

Q

G

S

S

S

P

K

T

A

T

T

P

Q

V

T

G

G

E

A

V

V

R

A

S

R

L

F

Q

A

V

A

H

G

G

G

V

K

E

F

M

T

T

K

P

K

L

K

N

D

M

L

P

G

A

L

V

M

A

A

V

M

L

S

H

Y

D

G

G

Y

A

V

F

Y

V

V

A

A

R

S

-

V

G

A

F

M

A

G

A

A

D

S

P

H

D

S

H

Q

L

L

K

M

D

K

L

A

L

L

V

I

E

E

A

A

V

E

R

K

C

Y

P

D

G

G

L

P

S

S

L

L

V

I

E

I

V

A

I

Y

Q

A

P

P

C
|
C

I
|
I

T

N

W

H

G

G

P

I

H

N

P

M

V

T

S

Y

W

S

Y

Q

K

R

E

E

R

A

L

K

R

K

P

A

V

V

P

E

T

A

D

G

H

Y

D

W

P

P

T

L

N

Y

R

R

active site: N999 (≠ L125)
binding magnesium ion: D966 (≠ E92), T994 (≠ N120), V996 (≠ I122)
binding iron/sulfur cluster: S998 (≠ A124), C1074 (= C199), I1075 (= I200)
binding thiamine diphosphate: G965 (= G91), D966 (≠ E92), G967 (= G93), V996 (≠ I122), Y997 (= Y123), S998 (≠ A124), N999 (≠ L125), T1000 (= T126)

Sites not aligning to the query:

active site: 28, 61, 111
binding iron/sulfur cluster: 455, 678, 685, 686, 687, 688, 689, 691, 695, 700, 741, 742, 743, 744, 745, 746, 747, 751, 752, 757, 758, 807, 808, 811, 813, 836
binding thiamine diphosphate: 26, 27, 61, 834, 835, 836, 865

Q2RMD6 Pyruvate:ferredoxin oxidoreductase; PFOR; Pyruvate synthase; EC 1.2.7.1 from Moorella thermoacetica (strain ATCC 39073 / JCM 9320) (see paper)
27% identity, 48% coverage: 88:226/288 of query aligns to 963:1102/1171 of Q2RMD6

query
sites
Q2RMD6

V

I

T

I

T

G

G

G

E
x
D

G
|
G

D
x
W

C

A

Y

Y

G

D

E

I

G

G

G

Y

N

G

H

G

L

L

L

D

H

H

A

V

F

L

R

A

R

S

N

G

P

A

N

N

M

V

T

N

V

V

V

L

V

V

H

L

N

D

N
x
T

E
|
E

I
x
V

Y
|
Y

A
x
S

L
x
N

T

T

K

G

G

G

Q

Q

G

S

S

S

P

K

T

A

T

T

P

Q

V

T

G

G

E

A

V

V

R

A

S

R

L

F

Q

A

V

A

H

G

G

G

V

K

E

F

M

T

T

K

P

K

L

K

N

D

M

L

P

G

A

L

V

M

A

A

V

M

L

S

H

Y

D

G

G

Y

A

V

F

Y

V

V

A

A

R

S

-

V

G

A

F

M

A

G

A

A

D

S

P

H

D

S

H

Q

L

L

K

M

D

K

L

A

L

L

V

I

E

E

A

A

V

E

R

K

C

Y

P

D

G

G

L

P

S

S

L

L

V

I

E

I

V

A

I

Y

Q

A

P

P

C
|
C

I

I

T

N

W

H

G

G

P

I

H

N

P

M

V

T

S

Y

W

S

Y

Q

K

R

E

E

R

A

L

K

R

K

P

A

V

V

P

E

T

A

D

G

H

Y

D

W

P

P

T

L

N

Y

R

R

D967 (≠ E92) binding Mg(2+)
DGW 967:969 (≠ EGD 92:94) binding thiamine diphosphate
T995 (≠ N120) binding Mg(2+)
TEVYSN 995:1000 (≠ NEIYAL 120:125) binding thiamine diphosphate
V997 (≠ I122) binding Mg(2+)
C1075 (= C199) binding [4Fe-4S] cluster

Sites not aligning to the query:

424:428 binding CoA
456 binding CoA
556 binding CoA
598 binding CoA
686 binding [4Fe-4S] cluster
689 binding [4Fe-4S] cluster
692 binding [4Fe-4S] cluster
696 binding [4Fe-4S] cluster
742 binding [4Fe-4S] cluster
745 binding [4Fe-4S] cluster
748 binding [4Fe-4S] cluster
752 binding [4Fe-4S] cluster
809 binding [4Fe-4S] cluster
812 binding [4Fe-4S] cluster
814 binding thiamine diphosphate
837 binding [4Fe-4S] cluster; binding thiamine diphosphate

7plmA Cryoem reconstruction of pyruvate ferredoxin oxidoreductase (pfor) in anaerobic conditions (see paper)
28% identity, 39% coverage: 91:203/288 of query aligns to 929:1042/1177 of 7plmA

query
sites
7plmA

G
|
G

E
x
D

G
|
G

D

W

C

A

Y

Y

G

D

E

I

G

G

G

Y

N

G

H

G

L

L

L

D

H

H

A

V

F

L

R

A

R

S

N

G

P

E

N
x
D

M

V

T
x
N

V

V

V

F

V

V

H

M

N

D

N
x
T

E

E

I
x
V

Y
|
Y

A
x
S

L
x
N

T
|
T

K

G

G

G

Q

Q

G

S

S

S

P

K

T

A

T

T

P

P

V

T

G

G

E

A

V

V

R

A

S

K

L

F

Q

A

V

A

H

A

G

G

V

K

E

R

M

T

T

G

P

K

L

K

N

D

M

L

P

A

A

R

V

M

A

V

V

M

L

T

H

Y

D

G

G

Y

A

V

F

Y

V

V

A

A

R

T

-

V

G

S

F

M

A

G

A

Y

D

S

P

K

D

Q

H

Q

L

F

K

L

D

K

L

V

L

L

V

K

E

E

A

A

V

E

R

S

C
x
F

P

P

G
|
G

L

P

S

S

L

L

V

V

E

I

V

A

I

Y

Q

A

P

T

C
|
C

I
|
I

T

N

W

Q

G

G

binding calcium ion: D950 (≠ N112), N952 (≠ T114), F1026 (≠ C187), G1028 (= G189)
binding magnesium ion: D930 (≠ E92), T958 (≠ N120), V960 (≠ I122), S962 (≠ A124)
binding iron/sulfur cluster: S962 (≠ A124), C1038 (= C199), I1039 (= I200)
binding thiamine diphosphate: G929 (= G91), D930 (≠ E92), G931 (= G93), V960 (≠ I122), Y961 (= Y123), S962 (≠ A124), N963 (≠ L125), T964 (= T126)

Sites not aligning to the query:

binding iron/sulfur cluster: 458, 657, 659, 664, 665, 666, 667, 668, 670, 674, 675, 679, 708, 715, 716, 717, 718, 719, 721, 725, 726, 731, 732, 781, 782, 785, 787, 810
binding thiamine diphosphate: 27, 28, 29, 63, 787, 808, 809, 810, 839

2c3uA Crystal structure of pyruvate-ferredoxin oxidoreductase from desulfovibrio africanus, oxygen inhibited form (see paper)
28% identity, 39% coverage: 91:203/288 of query aligns to 961:1074/1231 of 2c3uA

query
sites
2c3uA

G
|
G

E
x
D

G
|
G

D
x
W

C

A

Y

Y

G

D

E

I

G

G

G

Y

N

G

H

G

L

L

L

D

H

H

A

V

F

L

R

A

R

S

N

G

P

E

N
x
D

M

V

T
x
N

V

V

V

F

V

V

H

M

N

D

N
x
T

E

E

I
x
V

Y
|
Y

A
x
S

L
x
N

T
|
T

K

G

G

G

Q

Q

G

S

S

S

P

K

T

A

T

T

P

P

V

T

G

G

E

A

V

V

R

A

S

K

L

F

Q

A

V

A

H

A

G

G

V

K

E

R

M

T

T

G

P

K

L

K

N

D

M

L

P

A

A

R

V

M

A

V

V

M

L

T

H

Y

D

G

G

Y

A

V

F

Y

V

V

A

A

R

T

-

V

G

S

F

M

A

G

A

Y

D

S

P

K

D

Q

H

Q

L

F

K

L

D

K

L

V

L

L

V

K

E

E

A
|
A

V
x
E

R

S

C
x
F

P

P

G
|
G

L

P

S
|
S

L

L

V

V

E

I

V

A

I

Y

Q

A

P

T

C
|
C

I
|
I

T

N

W

Q

G

G

active site: N995 (≠ L125)
binding 2-(3-{[4-(hydroxyamino)-2-methylpyrimidin-5-yl]methyl}-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)ethyl trihydrogen diphosphate: G961 (= G91), D962 (≠ E92), G963 (= G93), W964 (≠ D94), V992 (≠ I122), Y993 (= Y123), S994 (≠ A124), N995 (≠ L125), T996 (= T126)
binding calcium ion: D982 (≠ N112), N984 (≠ T114), A1055 (= A184), E1056 (≠ V185), F1058 (≠ C187), G1060 (= G189), S1062 (= S191)
binding magnesium ion: D962 (≠ E92), T990 (≠ N120), V992 (≠ I122)
binding pyruvic acid: N995 (≠ L125)
binding iron/sulfur cluster: C1070 (= C199), I1071 (= I200)

Sites not aligning to the query:

active site: 30, 63, 113
binding 2-(3-{[4-(hydroxyamino)-2-methylpyrimidin-5-yl]methyl}-4-methyl-2,3-dihydro-1,3-thiazol-5-yl)ethyl trihydrogen diphosphate: 28, 29, 63, 87, 816, 837, 839, 868, 869
binding pyruvic acid: 30, 113, 122
binding iron/sulfur cluster: 458, 681, 683, 688, 689, 691, 692, 694, 698, 699, 702, 703, 744, 745, 746, 747, 748, 750, 754, 755, 760, 761, 811, 814, 816, 839

2c3pA Crystal structure of the free radical intermediate of pyruvate:ferredoxin oxidoreductase from desulfovibrio africanus (see paper)
28% identity, 39% coverage: 91:203/288 of query aligns to 961:1074/1231 of 2c3pA

query
sites
2c3pA

G
|
G

E
x
D

G
|
G

D

W

C

A

Y

Y

G

D

E

I

G

G

G

Y

N

G

H

G

L

L

L

D

H

H

A

V

F

L

R

A

R

S

N

G

P

E

N
x
D

M
x
V

T
x
N

V

V

V

F

V

V

H

M

N

D

N
x
T

E

E

I
x
V

Y
|
Y

A
x
S

L
x
N

T
|
T

K

G

G

G

Q

Q

G

S

S

S

P

K

T

A

T

T

P

P

V

T

G

G

E

A

V

V

R

A

S

K

L

F

Q

A

V

A

H

A

G

G

V

K

E

R

M

T

T

G

P

K

L

K

N

D

M

L

P

A

A

R

V

M

A

V

V

M

L

T

H

Y

D

G

G

Y

A

V

F

Y

V

V

A

A

R

T

-

V

G

S

F

M

A

G

A

Y

D

S

P

K

D

Q

H

Q

L

F

K

L

D

K

L

V

L

L

V

K

E

E

A
|
A

V
x
E

R

S

C
x
F

P

P

G
|
G

L

P

S
|
S

L

L

V

V

E

I

V

A

I

Y

Q

A

P

T

C
|
C

I
|
I

T

N

W

Q

G

G

active site: N995 (≠ L125)
binding 1-(2-{(2s,4r,5r)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1s)-1-carboxy-1-hydroxyethyl]-4-methyl-1,3-thiazolidin-5-yl}ethoxy)-1,1,3,3-tetrahydroxy-1lambda~5~-diphosphox-1-en-2-ium 3-oxide: G961 (= G91), D962 (≠ E92), G963 (= G93), V992 (≠ I122), Y993 (= Y123), S994 (≠ A124), N995 (≠ L125), T996 (= T126)
binding calcium ion: D982 (≠ N112), V983 (≠ M113), N984 (≠ T114), A1055 (= A184), E1056 (≠ V185), F1058 (≠ C187), G1060 (= G189), S1062 (= S191)
binding magnesium ion: D962 (≠ E92), T990 (≠ N120), V992 (≠ I122)
binding iron/sulfur cluster: S994 (≠ A124), C1070 (= C199), I1071 (= I200)

Sites not aligning to the query:

active site: 30, 63, 113
binding 1-(2-{(2s,4r,5r)-3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(1s)-1-carboxy-1-hydroxyethyl]-4-methyl-1,3-thiazolidin-5-yl}ethoxy)-1,1,3,3-tetrahydroxy-1lambda~5~-diphosphox-1-en-2-ium 3-oxide: 28, 29, 30, 63, 87, 113, 816, 837, 838, 839, 868, 869
binding iron/sulfur cluster: 458, 681, 683, 688, 689, 690, 691, 692, 694, 698, 699, 702, 703, 744, 745, 746, 747, 748, 750, 754, 755, 760, 761, 810, 811, 814, 816, 839

2c3oA Crystal structure of the free radical intermediate of pyruvate:ferredoxin oxidoreductase from desulfovibrio africanus (see paper)
28% identity, 39% coverage: 91:203/288 of query aligns to 961:1074/1231 of 2c3oA

query
sites
2c3oA

G
|
G

E
x
D

G
|
G

D

W

C

A

Y

Y

G

D

E

I

G

G

G

Y

N

G

H

G

L

L

L

D

H

H

A

V

F

L

R

A

R

S

N

G

P

E

N
x
D

M

V

T
x
N

V

V

V

F

V

V

H

M

N

D

N
x
T

E

E

I
x
V

Y
|
Y

A
x
S

L
x
N

T
|
T

K

G

G

G

Q

Q

G

S

S

S

P

K

T

A

T

T

P

P

V

T

G

G

E

A

V

V

R

A

S

K

L

F

Q

A

V

A

H

A

G

G

V

K

E

R

M

T

T

G

P

K

L

K

N

D

M

L

P

A

A

R

V

M

A

V

V

M

L

T

H

Y

D

G

G

Y

A

V

F

Y

V

V

A

A

R

T

-

V

G

S

F

M

A

G

A

Y

D

S

P

K

D

Q

H

Q

L

F

K

L

D

K

L

V

L

L

V

K

E

E

A

A

V
x
E

R

S

C
x
F

P

P

G
|
G

L

P

S

S

L

L

V

V

E

I

V

A

I

Y

Q

A

P

T

C
|
C

I
|
I

T

N

W

Q

G

G

active site: N995 (≠ L125)
binding calcium ion: D982 (≠ N112), N984 (≠ T114), E1056 (≠ V185), F1058 (≠ C187), G1060 (= G189)
binding magnesium ion: D962 (≠ E92), T990 (≠ N120), V992 (≠ I122)
binding pyruvic acid: T996 (= T126)
binding iron/sulfur cluster: C1070 (= C199), I1071 (= I200)
binding thiamine diphosphate: G961 (= G91), D962 (≠ E92), G963 (= G93), V992 (≠ I122), Y993 (= Y123), S994 (≠ A124), N995 (≠ L125), T996 (= T126)

Sites not aligning to the query:

active site: 30, 63, 113
binding pyruvic acid: 30, 113
binding iron/sulfur cluster: 458, 681, 688, 689, 691, 692, 694, 698, 699, 702, 703, 744, 746, 747, 748, 749, 750, 754, 760, 761, 810, 811, 814, 816, 839
binding thiamine diphosphate: 28, 29, 63, 87, 816, 837, 838, 839, 868

1kekA Crystal structure of the free radical intermediate of pyruvate:ferredoxin oxidoreductase (see paper)
28% identity, 39% coverage: 91:203/288 of query aligns to 961:1074/1231 of 1kekA

query
sites
1kekA

G
|
G

E
x
D

G
|
G

D

W

C

A

Y

Y

G

D

E

I

G

G

G

Y

N

G

H

G

L

L

L

D

H

H

A

V

F

L

R

A

R

S

N

G

P

E

N
x
D

M

V

T
x
N

V

V

V

F

V

V

H

M

N

D

N
x
T

E

E

I
x
V

Y
|
Y

A
x
S

L
x
N

T
|
T

K

G

G

G

Q

Q

G

S

S

S

P

K

T

A

T

T

P

P

V

T

G

G

E

A

V

V

R

A

S

K

L

F

Q

A

V

A

H

A

G

G

V

K

E

R

M

T

T

G

P

K

L

K

N

D

M

L

P

A

A

R

V

M

A

V

V

M

L

T

H

Y

D

G

G

Y

A

V

F

Y

V

V

A

A

R

T

-

V

G

S

F

M

A

G

A

Y

D

S

P

K

D

Q

H

Q

L

F

K

L

D

K

L

V

L

L

V

K

E

E

A
|
A

V
x
E

R

S

C
x
F

P

P

G

G

L

P

S
|
S

L

L

V

V

E

I

V

A

I

Y

Q

A

P

T

C
|
C

I
|
I

T

N

W

Q

G

G

active site: N995 (≠ L125)
binding calcium ion: D982 (≠ N112), N984 (≠ T114), A1055 (= A184), E1056 (≠ V185), F1058 (≠ C187), S1062 (= S191)
binding 2-acetyl-thiamine diphosphate: G961 (= G91), D962 (≠ E92), G963 (= G93), V992 (≠ I122), Y993 (= Y123), S994 (≠ A124), N995 (≠ L125), T996 (= T126)
binding magnesium ion: D962 (≠ E92), T990 (≠ N120), V992 (≠ I122)
binding iron/sulfur cluster: C1070 (= C199), I1071 (= I200)

Sites not aligning to the query:

active site: 30, 63, 113
binding 2-acetyl-thiamine diphosphate: 29, 63, 87, 113, 816, 837, 838, 839, 868
binding iron/sulfur cluster: 458, 681, 683, 688, 689, 690, 691, 692, 694, 698, 699, 703, 737, 744, 745, 746, 747, 748, 750, 754, 755, 760, 761, 810, 811, 814, 816, 839

1b0pA Crystal structure of pyruvate-ferredoxin oxidoreductase from desulfovibrio africanus (see paper)
28% identity, 39% coverage: 91:203/288 of query aligns to 961:1074/1231 of 1b0pA

query
sites
1b0pA

G
|
G

E
x
D

G
|
G

D

W

C

A

Y

Y

G

D

E

I

G

G

G

Y

N

G

H

G

L

L

L

D

H

H

A

V

F

L

R

A

R

S

N

G

P

E

N
x
D

M

V

T
x
N

V

V

V

F

V

V

H

M

N

D

N
x
T

E

E

I
x
V

Y
|
Y

A
x
S

L
x
N

T
|
T

K

G

G

G

Q

Q

G

S

S

S

P

K

T

A

T

T

P

P

V

T

G

G

E

A

V

V

R

A

S

K

L

F

Q

A

V

A

H

A

G

G

V

K

E

R

M

T

T

G

P

K

L

K

N

D

M

L

P

A

A

R

V

M

A

V

V

M

L

T

H

Y

D

G

G

Y

A

V

F

Y

V

V

A

A

R

T

-

V

G

S

F

M

A

G

A

Y

D

S

P

K

D

Q

H

Q

L

F

K

L

D

K

L

V

L

L

V

K

E

E

A
|
A

V
x
E

R

S

C
x
F

P

P

G
|
G

L

P

S

S

L

L

V

V

E

I

V

A

I

Y

Q

A

P

T

C
|
C

I
|
I

T

N

W

Q

G

G

active site: N995 (≠ L125)
binding calcium ion: D982 (≠ N112), N984 (≠ T114), A1055 (= A184), E1056 (≠ V185), F1058 (≠ C187), G1060 (= G189)
binding magnesium ion: D962 (≠ E92), T990 (≠ N120), V992 (≠ I122)
binding iron/sulfur cluster: S994 (≠ A124), C1070 (= C199), I1071 (= I200)
binding thiamine diphosphate: G961 (= G91), D962 (≠ E92), G963 (= G93), V992 (≠ I122), Y993 (= Y123), S994 (≠ A124), N995 (≠ L125), T996 (= T126)

Sites not aligning to the query:

active site: 30, 63, 113
binding iron/sulfur cluster: 458, 681, 683, 688, 689, 690, 691, 692, 694, 698, 699, 702, 703, 737, 744, 745, 747, 748, 750, 754, 755, 760, 811, 814, 816, 839
binding thiamine diphosphate: 28, 29, 63, 816, 837, 838, 839, 868

Query Sequence

>WP_084057738.1 NCBI__GCF_900176285.1:WP_084057738.1
MNVHDPFQNDVEIQWCPGCPNFGILTALKRAFVDLQLEPHQVCLVSGIGQAAKLPHYLRC
NFFNGLHGRAIPVALGIHAANPTLTTVVTTGEGDCYGEGGNHLLHAFRRNPNMTVVVHNN
EIYALTKGQGSPTTPVGEVRSLQVHGVEMTPLNMPAVAVLHDGAFVARGFAADPDHLKDL
LVEAVRCPGLSLVEVIQPCITWGPHPVSWYKERLRPVPTDHDPTNREAALRLLLGQDGRF
VTGVIYRGTERPLFGHRFRSAVGNEPLGRLGFPENDVVRSLLDKFRAH

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