SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing SM_b20576 FitnessBrowser__Smeli:SM_b20576 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)

2buuA Crystal structure of protocatechuate 3,4-dioxygenase from acinetobacter sp. Adp1 mutant r457s in complex with 4-nitrocatechol
56% identity, 97% coverage: 8:204/204 of query aligns to 2:202/202 of 2buuA

query
sites
2buuA

L

L

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active site: Y76 (= Y83), V116 (= V122), Q124 (≠ M130), H127 (= H133), S129 (= S135)
binding 4-nitrocatechol: P12 (= P18), Y13 (= Y19)

2buqA Crystal structure of wild-type protocatechuate 3,4-dioxygenase from acinetobacter sp. Adp1 in complex with catechol (see paper)
56% identity, 97% coverage: 8:204/204 of query aligns to 2:202/202 of 2buqA

query
sites
2buqA

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active site: Y76 (= Y83), V116 (= V122), Q124 (≠ M130), H127 (= H133), S129 (= S135)
binding catechol: P12 (= P18), Y13 (= Y19)

4whsC 4-fluorocatechol bound to protocatechuate 3,4-dioxygenase (pseudomonas putida) at ph 8.5 (see paper)
46% identity, 98% coverage: 5:204/204 of query aligns to 2:200/200 of 4whsC

query
sites
4whsC

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active site: Y79 (= Y83), V114 (= V122), M122 (= M130), H125 (= H133), N127 (≠ S135)
binding 4-fluorobenzene-1,2-diol: P15 (= P18), Y16 (= Y19), R167 (≠ A175), E168 (= E176)
binding [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid: T169 (= T177), I171 (≠ V179), R184 (≠ V188), F185 (= F189), D186 (= D190)

4whrA Anhydride reaction intermediate trapped in protocatechuate 3,4- dioxygenase (pseudomonas putida) at ph 8.5 (see paper)
46% identity, 98% coverage: 5:204/204 of query aligns to 2:200/200 of 4whrA

query
sites
4whrA

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active site: Y79 (= Y83), V114 (= V122), M122 (= M130), H125 (= H133), N127 (≠ S135)
binding 4-fluorobenzene-1,2-diol: R167 (≠ A175), E168 (= E176)
binding 4-fluorooxepine-2,7-dione: G14 (= G17), P15 (= P18)

4whqA Alkylperoxo reaction intermediate trapped in protocatechuate 3,4- dioxygenase (pseudomonas putida) at ph 6.5 (see paper)
46% identity, 98% coverage: 5:204/204 of query aligns to 2:200/200 of 4whqA

query
sites
4whqA

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active site: Y79 (= Y83), V114 (= V122), M122 (= M130), H125 (= H133), N127 (≠ S135)
binding 4-fluorobenzene-1,2-diol: R167 (≠ A175), E168 (= E176)

4whoA Resting protocatechuate 3,4-dioxygenase (pseudomonas putida) at ph 8.5 (see paper)
46% identity, 98% coverage: 5:204/204 of query aligns to 2:200/200 of 4whoA

query
sites
4whoA

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A

A

E

K

D

C

P

P

L

V

L

L

A

N

R

L

I

I

E

E

H

Q

R

P

H

Q

R

R

A

R

E

E

T

T

L

L

V

I

A

A

A

K

G

R

Q

C

A

E

P

V

N

D

-

G

-

K

-

T

-

A

Y

Y

V

R

F

F

D

D

I

I

H

R

L

I

Q

Q

G

G

E

E

K

G

E

E

T

T

V

V

F

F

L

F

D

D

I

F

active site: Y79 (= Y83), V114 (= V122), M122 (= M130), H125 (= H133), N127 (≠ S135)
binding bicarbonate ion: T105 (= T113), H107 (≠ E115)

3pcmF Structure of protocatechuate 3,4-dioxygenase complexed with 6- hydroxynicotinic acid n-oxide and cyanide (see paper)
46% identity, 98% coverage: 5:204/204 of query aligns to 2:200/200 of 3pcmF

query
sites
3pcmF

L

I

S

E

T

L

L

L

K

P

E

E

T

T

A

P

S

S

Q

Q

T

T

A

A

G

G

P
|
P

Y

Y

V

V

H

H

I

I

G

G

L

L

T

A

P

L

S

E

F

A

C

A

G

G

I

-

G

N

G

P

V

T

Y

R

E

D

G

Q

D

E

L

I

G

W

A

N

S

R

M

L

V

A

N

K

D

P

K

D

T

A

L

P

G

G

Q

E

R

H

I

I

T

L

V

L

T

L

G

G

R

Q

V

V

I

Y

D

D

G

G

A

N

G

G

M

H

P

L

L

V

R

R

D

D

A

S

L

F

L

L

E

E

I

V

W

W

Q

Q

A

A

D

D

A

A

A

N

G

G

L

E

Y
|
Y

N

Q

S

D

P

A

S

Y

E

N

L

L

R

E

G

N

T

A

A

-

D

-

P

-

N

-

F

F

T

N

G

S

W

F

G

G

R

R

S

T

P

A

T

T

S

T

D

F

E

D

G

A

G

G

V

E

F

W

T

T

F

L

E

H

T

T

V

V

K

K

P

P

G

G

R

V

V
|
V

P

N

F

N

R

A

D

A

G

G

R

V

L

P

M

M

A

A

P

P

H

H

I

I

S

N

I

I

W

S

I

L

V

F

A

A

R
|
R

G

G

I

I

N

N

I

I

G

H

L

L

H

H

T

T

R

R

M

L

Y

Y

F

F

P

D

D

D

E

E

A

A

A

Q

A

A

N

N

A

A

E

K

D

C

P

P

L

V

L

L

A

N

R

L

I

I

E

E

H

Q

R

P

H

Q

R

R

A

R

E

E

T

T

L

L

V

I

A

A

A

K

G

R

Q

C

A

E

P

V

N

D

-

G

-

K

-

T

-

A

Y

Y

V

R

F

F

D

D

I

I

H

R

L

I

Q

Q

G

G

E

E

K

G

E

E

T

T

V

V

F

F

L

F

D

D

I

F

active site: Y79 (= Y83), V114 (= V122)
binding 6-hydroxyisonicotinic acid n-oxide: P15 (= P18), R133 (= R141)

3pclA Structure of protocatechuate 3,4-dioxygenase complexed with 2- hydroxyisonicotinic acid n-oxide and cyanide (see paper)
46% identity, 98% coverage: 5:204/204 of query aligns to 2:200/200 of 3pclA

query
sites
3pclA

L

I

S

E

T

L

L

L

K

P

E

E

T

T

A

P

S

S

Q

Q

T

T

A

A

G

G

P
|
P

Y

Y

V

V

H

H

I

I

G

G

L

L

T

A

P

L

S

E

F

A

C

A

G

G

I

-

G

N

G

P

V

T

Y

R

E

D

G

Q

D

E

L

I

G

W

A

N

S

R

M

L

V

A

N

K

D

P

K

D

T

A

L

P

G

G

Q

E

R

H

I

I

T

L

V

L

T

L

G

G

R

Q

V

V

I

Y

D

D

G

G

A

N

G

G

M

H

P

L

L

V

R

R

D

D

A

S

L

F

L

L

E

E

I

V

W

W

Q

Q

A

A

D

D

A

A

A

N

G

G

L

E

Y
|
Y

N

Q

S

D

P

A

S

Y

E

N

L

L

R

E

G

N

T

A

A

-

D

-

P

-

N

-

F

F

T

N

G

S

W

F

G

G

R

R

S

T

P

A

T

T

S

T

D

F

E

D

G

A

G

G

V

E

F

W

T

T

F

L

E

H

T

T

V

V

K

K

P

P

G

G

R

V

V
|
V

P

N

F

N

R

A

D

A

G

G

R

V

L

P

M
|
M

A

A

P

P

H
|
H

I

I

S
x
N

I

I

W

S

I

L

V

F

A

A

R
|
R

G

G

I

I

N

N

I

I

G

H

L

L

H

H

T

T

R

R

M

L

Y

Y

F

F

P

D

D

D

E

E

A

A

A

Q

A

A

N

N

A

A

E

K

D

C

P

P

L

V

L

L

A

N

R

L

I

I

E

E

H

Q

R

P

H

Q

R

R

A

R

E

E

T

T

L

L

V

I

A

A

A

K

G

R

Q

C

A

E

P

V

N

D

-

G

-

K

-

T

-

A

Y

Y

V

R

F

F

D

D

I

I

H

R

L

I

Q

Q

G

G

E

E

K

G

E

E

T

T

V

V

F

F

L

F

D

D

I

F

active site: Y79 (= Y83), V114 (= V122), M122 (= M130), H125 (= H133), N127 (≠ S135)
binding 2-hydroxyisonicotinic acid n-oxide: P15 (= P18), R133 (= R141)

3pciA Structure of protocatechuate 3,4-dioxygenase complexed with 3-iodo-4- hydroxybenzoate (see paper)
46% identity, 98% coverage: 5:204/204 of query aligns to 2:200/200 of 3pciA

query
sites
3pciA

L

I

S

E

T

L

L

L

K

P

E

E

T

T

A

P

S

S

Q

Q

T

T

A

A

G

G

P
|
P

Y
|
Y

V

V

H

H

I

I

G

G

L

L

T

A

P

L

S

E

F

A

C

A

G

G

I

-

G

N

G

P

V

T

Y

R

E

D

G

Q

D

E

L

I

G

W

A

N

S

R

M

L

V

A

N

K

D

P

K

D

T

A

L

P

G

G

Q

E

R

H

I

I

T

L

V

L

T

L

G

G

R

Q

V

V

I

Y

D

D

G

G

A

N

G

G

M

H

P

L

L

V

R

R

D

D

A

S

L

F

L

L

E

E

I

V

W

W

Q

Q

A

A

D

D

A

A

A

N

G

G

L

E

Y
|
Y

N

Q

S

D

P

A

S

Y

E

N

L

L

R

E

G

N

T

A

A

-

D

-

P

-

N

-

F

F

T

N

G

S

W

F

G

G

R

R

S

T

P

A

T

T

S

T

D

F

E

D

G

A

G

G

V

E

F

W

T

T

F

L

E

H

T

T

V

V

K

K

P

P

G

G

R

V

V
|
V

P

N

F

N

R

A

D

A

G

G

R

V

L

P

M
|
M

A

A

P

P

H
|
H

I

I

S
x
N

I

I

W

S

I

L

V

F

A

A

R

R

G

G

I

I

N

N

I

I

G

H

L

L

H

H

T

T

R

R

M

L

Y

Y

F

F

P

D

D

D

E

E

A

A

A

Q

A

A

N

N

A

A

E

K

D

C

P

P

L

V

L

L

A

N

R

L

I

I

E

E

H

Q

R

P

H

Q

R

R

A

R

E

E

T

T

L

L

V

I

A

A

A

K

G

R

Q

C

A

E

P

V

N

D

-

G

-

K

-

T

-

A

Y

Y

V

R

F

F

D

D

I

I

H

R

L

I

Q

Q

G

G

E

E

K

G

E

E

T

T

V

V

F

F

L

F

D

D

I

F

active site: Y79 (= Y83), V114 (= V122), M122 (= M130), H125 (= H133), N127 (≠ S135)
binding 3-iodo-4-hydroxybenzoic acid: P15 (= P18), Y16 (= Y19)

3pchA Structure of protocatechuate 3,4-dioxygenase complexed with 3-chloro- 4-hydroxybenzoate (see paper)
46% identity, 98% coverage: 5:204/204 of query aligns to 2:200/200 of 3pchA

query
sites
3pchA

L

I

S

E

T

L

L

L

K

P

E

E

T

T

A

P

S

S

Q

Q

T

T

A

A

G
|
G

P
|
P

Y

Y

V

V

H

H

I

I

G

G

L

L

T

A

P

L

S

E

F

A

C

A

G

G

I

-

G

N

G

P

V

T

Y

R

E

D

G

Q

D

E

L

I

G

W

A

N

S

R

M

L

V

A

N

K

D

P

K

D

T

A

L

P

G

G

Q

E

R

H

I

I

T

L

V

L

T

L

G

G

R

Q

V

V

I

Y

D

D

G

G

A

N

G

G

M

H

P

L

L

V

R

R

D

D

A

S

L

F

L

L

E

E

I

V

W

W

Q

Q

A

A

D

D

A

A

A

N

G

G

L

E

Y
|
Y

N

Q

S

D

P

A

S

Y

E

N

L

L

R

E

G

N

T

A

A

-

D

-

P

-

N

-

F

F

T

N

G

S

W

F

G

G

R

R

S

T

P

A

T

T

S

T

D

F

E

D

G

A

G

G

V

E

F

W

T

T

F

L

E

H

T

T

V

V

K

K

P

P

G

G

R

V

V
|
V

P

N

F

N

R

A

D

A

G

G

R

V

L

P

M
|
M

A

A

P

P

H
|
H

I

I

S
x
N

I

I

W

S

I

L

V

F

A

A

R
|
R

G

G

I

I

N

N

I

I

G

H

L

L

H

H

T

T

R

R

M

L

Y

Y

F

F

P

D

D

D

E

E

A

A

A

Q

A

A

N

N

A

A

E

K

D

C

P

P

L

V

L

L

A

N

R

L

I

I

E

E

H

Q

R

P

H

Q

R

R

A

R

E

E

T

T

L

L

V

I

A

A

A

K

G

R

Q

C

A

E

P

V

N

D

-

G

-

K

-

T

-

A

Y

Y

V

R

F

F

D

D

I

I

H

R

L

I

Q

Q

G

G

E

E

K

G

E

E

T

T

V

V

F

F

L

F

D

D

I

F

active site: Y79 (= Y83), V114 (= V122), M122 (= M130), H125 (= H133), N127 (≠ S135)
binding 3-chloro-4-hydroxybenzoic acid: G14 (= G17), P15 (= P18), R133 (= R141)

3pcgC Structure of protocatechuate 3,4-dioxygenase complexed with the inhibitor 4-hydroxyphenylacetate (see paper)
46% identity, 98% coverage: 5:204/204 of query aligns to 2:200/200 of 3pcgC

query
sites
3pcgC

L

I

S

E

T

L

L

L

K

P

E

E

T

T

A

P

S

S

Q

Q

T

T

A

A

G
|
G

P
|
P

Y

Y

V

V

H

H

I

I

G

G

L

L

T

A

P

L

S

E

F

A

C

A

G

G

I

-

G

N

G

P

V

T

Y

R

E

D

G

Q

D

E

L

I

G

W

A

N

S

R

M

L

V

A

N

K

D

P

K

D

T

A

L

P

G

G

Q

E

R

H

I

I

T

L

V

L

T

L

G

G

R

Q

V

V

I

Y

D

D

G

G

A

N

G

G

M

H

P

L

L

V

R

R

D

D

A

S

L

F

L

L

E

E

I

V

W

W

Q

Q

A

A

D

D

A

A

A

N

G

G

L

E

Y
|
Y

N

Q

S

D

P

A

S

Y

E

N

L

L

R

E

G

N

T

A

A

-

D

-

P

-

N

-

F

F

T

N

G

S

W

F

G

G

R

R

S

T

P

A

T

T

S

T

D

F

E

D

G

A

G

G

V

E

F

W

T

T

F

L

E

H

T

T

V

V

K

K

P

P

G

G

R

V

V
|
V

P

N

F

N

R

A

D

A

G

G

R

V

L

P

M
|
M

A

A

P

P

H
|
H

I

I

S
x
N

I

I

W

S

I

L

V

F

A

A

R

R

G

G

I

I

N

N

I

I

G

H

L

L

H

H

T

T

R

R

M

L

Y

Y

F

F

P

D

D

D

E

E

A

A

A

Q

A

A

N

N

A

A

E

K

D

C

P

P

L

V

L

L

A

N

R

L

I

I

E

E

H

Q

R

P

H

Q

R

R

A

R

E

E

T

T

L

L

V

I

A

A

A

K

G

R

Q

C

A

E

P

V

N

D

-

G

-

K

-

T

-

A

Y

Y

V

R

F

F

D

D

I

I

H

R

L

I

Q

Q

G

G

E

E

K

G

E

E

T

T

V

V

F

F

L

F

D

D

I

F

active site: Y79 (= Y83), V114 (= V122), M122 (= M130), H125 (= H133), N127 (≠ S135)
binding 4-hydroxyphenylacetate: G14 (= G17), P15 (= P18)

3pcfA Structure of protocatechuate 3,4-dioxygenase complexed with 3-fluro-4- hydroxybenzoate (see paper)
46% identity, 98% coverage: 5:204/204 of query aligns to 2:200/200 of 3pcfA

query
sites
3pcfA

L

I

S

E

T

L

L

L

K

P

E

E

T

T

A

P

S

S

Q

Q

T

T

A

A

G
|
G

P
|
P

Y

Y

V

V

H

H

I

I

G

G

L

L

T

A

P

L

S

E

F

A

C

A

G

G

I

-

G

N

G

P

V

T

Y

R

E

D

G

Q

D

E

L

I

G

W

A

N

S

R

M

L

V

A

N

K

D

P

K

D

T

A

L

P

G

G

Q

E

R

H

I

I

T

L

V

L

T

L

G

G

R

Q

V

V

I

Y

D

D

G

G

A

N

G

G

M

H

P

L

L

V

R

R

D

D

A

S

L

F

L

L

E

E

I

V

W

W

Q

Q

A

A

D

D

A

A

A

N

G

G

L

E

Y
|
Y

N

Q

S

D

P

A

S

Y

E

N

L

L

R

E

G

N

T

A

A

-

D

-

P

-

N

-

F

F

T

N

G

S

W

F

G

G

R

R

S

T

P

A

T

T

S

T

D

F

E

D

G

A

G

G

V

E

F

W

T

T

F

L

E

H

T

T

V

V

K

K

P

P

G

G

R

V

V
|
V

P

N

F

N

R

A

D

A

G

G

R

V

L

P

M
|
M

A

A

P

P

H
|
H

I

I

S
x
N

I

I

W

S

I

L

V

F

A

A

R

R

G

G

I

I

N

N

I

I

G

H

L

L

H

H

T

T

R

R

M

L

Y

Y

F

F

P

D

D

D

E

E

A

A

A

Q

A

A

N

N

A

A

E

K

D

C

P

P

L

V

L

L

A

N

R

L

I

I

E

E

H

Q

R

P

H

Q

R

R

A

R

E

E

T

T

L

L

V

I

A

A

A

K

G

R

Q

C

A

E

P

V

N

D

-

G

-

K

-

T

-

A

Y

Y

V

R

F

F

D

D

I

I

H

R

L

I

Q

Q

G

G

E

E

K

G

E

E

T

T

V

V

F

F

L

F

D

D

I

F

active site: Y79 (= Y83), V114 (= V122), M122 (= M130), H125 (= H133), N127 (≠ S135)
binding 3-fluoro-4-hydroxybenzoic acid: G14 (= G17), P15 (= P18)

3pceC Structure of protocatechuate 3,4-dioxygenase complexed with 3- hydroxyphenylacetate (see paper)
46% identity, 98% coverage: 5:204/204 of query aligns to 2:200/200 of 3pceC

query
sites
3pceC

L

I

S

E

T

L

L

L

K

P

E

E

T

T

A

P

S

S

Q

Q

T

T

A

A

G
|
G

P
|
P

Y

Y

V

V

H

H

I

I

G

G

L

L

T

A

P

L

S

E

F

A

C

A

G

G

I

-

G

N

G

P

V

T

Y

R

E

D

G

Q

D

E

L

I

G

W

A

N

S

R

M

L

V

A

N

K

D

P

K

D

T

A

L

P

G

G

Q

E

R

H

I

I

T

L

V

L

T

L

G

G

R

Q

V

V

I

Y

D

D

G

G

A

N

G

G

M

H

P

L

L

V

R

R

D

D

A

S

L

F

L

L

E

E

I

V

W

W

Q

Q

A

A

D

D

A

A

A

N

G

G

L

E

Y
|
Y

N

Q

S

D

P

A

S

Y

E

N

L

L

R

E

G

N

T

A

A

-

D

-

P

-

N

-

F

F

T

N

G

S

W

F

G

G

R

R

S

T

P

A

T

T

S

T

D

F

E

D

G

A

G

G

V

E

F

W

T

T

F

L

E

H

T

T

V

V

K

K

P

P

G

G

R

V

V
|
V

P

N

F

N

R

A

D

A

G

G

R

V

L

P

M
|
M

A

A

P

P

H
|
H

I

I

S
x
N

I

I

W

S

I

L

V

F

A

A

R

R

G

G

I

I

N

N

I

I

G

H

L

L

H

H

T

T

R

R

M

L

Y

Y

F

F

P

D

D

D

E

E

A

A

A

Q

A

A

N

N

A

A

E

K

D

C

P

P

L

V

L

L

A

N

R

L

I

I

E

E

H

Q

R

P

H

Q

R

R

A

R

E

E

T

T

L

L

V

I

A

A

A

K

G

R

Q

C

A

E

P

V

N

D

-

G

-

K

-

T

-

A

Y

Y

V

R

F

F

D

D

I

I

H

R

L

I

Q

Q

G

G

E

E

K

G

E

E

T

T

V

V

F

F

L

F

D

D

I

F

active site: Y79 (= Y83), V114 (= V122), M122 (= M130), H125 (= H133), N127 (≠ S135)
binding 3-hydroxyphenylacetate: G14 (= G17), P15 (= P18)

3pcbF Structure of protocatechuate 3,4-dioxygenase complexed with 3- hydroxybenzoate (see paper)
46% identity, 98% coverage: 5:204/204 of query aligns to 2:200/200 of 3pcbF

query
sites
3pcbF

L

I

S

E

T

L

L

L

K

P

E

E

T

T

A

P

S

S

Q

Q

T

T

A

A

G

G

P
|
P

Y

Y

V

V

H

H

I

I

G

G

L

L

T

A

P

L

S

E

F

A

C

A

G

G

I

-

G

N

G

P

V

T

Y

R

E

D

G

Q

D

E

L

I

G

W

A

N

S

R

M

L

V

A

N

K

D

P

K

D

T

A

L

P

G

G

Q

E

R

H

I

I

T

L

V

L

T

L

G

G

R

Q

V

V

I

Y

D

D

G

G

A

N

G

G

M

H

P

L

L

V

R

R

D

D

A

S

L

F

L

L

E

E

I

V

W

W

Q

Q

A

A

D

D

A

A

A

N

G

G

L

E

Y
|
Y

N

Q

S

D

P

A

S

Y

E

N

L

L

R

E

G

N

T

A

A

-

D

-

P

-

N

-

F

F

T

N

G

S

W

F

G

G

R

R

S

T

P

A

T

T

S

T

D

F

E

D

G

A

G

G

V

E

F

W

T

T

F

L

E

H

T

T

V

V

K

K

P

P

G

G

R

V

V
|
V

P

N

F

N

R

A

D

A

G

G

R

V

L

P

M

M

A

A

P

P

H

H

I

I

S

N

I

I

W

S

I

L

V

F

A

A

R
|
R

G

G

I

I

N

N

I

I

G

H

L

L

H

H

T

T

R

R

M

L

Y

Y

F

F

P

D

D

D

E

E

A

A

A

Q

A

A

N

N

A

A

E

K

D

C

P

P

L

V

L

L

A

N

R

L

I

I

E

E

H

Q

R

P

H

Q

R

R

A

R

E

E

T

T

L

L

V

I

A

A

A

K

G

R

Q

C

A

E

P

V

N

D

-

G

-

K

-

T

-

A

Y

Y

V

R

F

F

D

D

I

I

H

R

L

I

Q

Q

G

G

E

E

K

G

E

E

T

T

V

V

F

F

L

F

D

D

I

F

active site: Y79 (= Y83), V114 (= V122)
binding 3-hydroxybenzoic acid: P15 (= P18), R133 (= R141)

3mi5A Axial ligand swapping in double mutant maintains intradiol-cleavage chemistry in protocatechuate 3,4-dioxygenase
46% identity, 98% coverage: 5:204/204 of query aligns to 2:200/200 of 3mi5A

query
sites
3mi5A

L

I

S

E

T

L

L

L

K

P

E

E

T

T

A

P

S

S

Q

Q

T

T

A

A

G

G

P
|
P

Y
|
Y

V

V

H

H

I

I

G

G

L

L

T

A

P

L

S

E

F

A

C

A

G

G

I

-

G

N

G

P

V

T

Y

R

E

D

G

Q

D

E

L

I

G

W

A

N

S

R

M

L

V

A

N

K

D

P

K

D

T

A

L

P

G

G

Q

E

R

H

I

I

T

L

V

L

T

L

G

G

R

Q

V

V

I

Y

D

D

G

G

A

N

G

G

M

H

P

L

L

V

R

R

D

D

A

S

L

F

L

L

E

E

I

V

W

W

Q

Q

A

A

D

D

A

A

A

N

G

G

L

E

Y
|
Y

N

Q

S

D

P

A

S

Y

E

N

L

L

R

E

G

N

T

A

A

-

D

-

P

-

N

-

F

F

T

N

G

S

W

F

G

G

R

R

S

T

P

A

T

T

S

T

D

F

E

D

G

A

G

G

V

E

F

W

T

T

F

L

E

H

T

T

V

V

K

K

P

P

G

G

R

V

V
|
V

P

N

F

N

R

A

D

A

G

G

R

V

L

P

M
|
M

A

A

P

P

H
|
H

I

I

S
x
N

I

I

W

S

I

L

V

F

A

A

R

R

G

G

I

I

N

N

I

I

G

H

L

L

H

H

T

T

R

R

M

L

Y

Y

F

F

P

D

D

D

E

E

A

A

A

Q

A

A

N

N

A

A

E

K

D

C

P

P

L

V

L

L

A

N

R

L

I

I

E

E

H

Q

R

P

H

Q

R

R

A

R

E

E

T

T

L

L

V

I

A

A

A

K

G

R

Q

C

A

E

P

V

N

D

-

G

-

K

-

T

-

A

Y

Y

V

R

F

F

D

D

I

I

H

R

L

I

Q

Q

G

G

E

E

K

G

E

E

T

T

V

V

F

F

L

F

D

D

I

F

active site: Y79 (= Y83), V114 (= V122), M122 (= M130), H125 (= H133), N127 (≠ S135)
binding catechol: P15 (= P18), Y16 (= Y19)

3mflA Axial ligand swapping in double mutant maintains intradiol-cleavage chemistry in protocatechuate 3,4-dioxygenase
46% identity, 98% coverage: 5:204/204 of query aligns to 2:200/200 of 3mflA

query
sites
3mflA

L

I

S

E

T

L

L

L

K

P

E

E

T

T

A

P

S

S

Q

Q

T

T

A

A

G

G

P
|
P

Y
|
Y

V

V

H

H

I

I

G

G

L

L

T

A

P

L

S

E

F

A

C

A

G

G

I

-

G

N

G

P

V

T

Y

R

E

D

G

Q

D

E

L

I

G

W

A

N

S

R

M

L

V

A

N

K

D

P

K

D

T

A

L

P

G

G

Q

E

R

H

I

I

T

L

V

L

T

L

G

G

R

Q

V

V

I

Y

D

D

G

G

A

N

G

G

M

H

P

L

L

V

R

R

D

D

A

S

L

F

L

L

E

E

I

V

W

W

Q

Q

A

A

D

D

A

A

A

N

G

G

L

E

Y
|
Y

N

Q

S

D

P

A

S

Y

E

N

L

L

R

E

G

N

T

A

A

-

D

-

P

-

N

-

F

F

T

N

G

S

W

F

G

G

R

R

S

T

P

A

T

T

S

T

D

F

E

D

G

A

G

G

V

E

F

W

T

T

F

L

E

H

T

T

V

V

K

K

P

P

G

G

R

V

V
|
V

P

N

F

N

R

A

D

A

G

G

R

V

L

P

M
|
M

A

A

P

P

H
|
H

I

I

S
x
N

I

I

W

S

I

L

V

F

A

A

R

R

G

G

I

I

N

N

I

I

G

H

L

L

H

H

T

T

R

R

M

L

Y

Y

F

F

P

D

D

D

E

E

A

A

A

Q

A

A

N

N

A

A

E

K

D

C

P

P

L

V

L

L

A

N

R

L

I

I

E

E

H

Q

R

P

H

Q

R

R

A

R

E

E

T

T

L

L

V

I

A

A

A

K

G

R

Q

C

A

E

P

V

N

D

-

G

-

K

-

T

-

A

Y

Y

V

R

F

F

D

D

I

I

H

R

L

I

Q

Q

G

G

E

E

K

G

E

E

T

T

V

V

F

F

L

F

D

D

I

F

active site: Y79 (= Y83), V114 (= V122), M122 (= M130), H125 (= H133), N127 (≠ S135)
binding 2-(3,4-dihydroxyphenyl)acetic acid: P15 (= P18), Y16 (= Y19)

3lxvB Tyrosine 447 of protocatechuate 3,4-dioxygenase controls efficient progress through catalysis
46% identity, 98% coverage: 5:204/204 of query aligns to 2:200/200 of 3lxvB

query
sites
3lxvB

L

I

S

E

T

L

L

L

K

P

E

E

T

T

A

P

S

S

Q

Q

T

T

A

A

G

G

P
|
P

Y

Y

V

V

H

H

I

I

G

G

L

L

T

A

P

L

S

E

F

A

C

A

G

G

I

-

G

N

G

P

V

T

Y

R

E

D

G

Q

D

E

L

I

G

W

A

N

S

R

M

L

V

A

N

K

D

P

K

D

T

A

L

P

G

G

Q

E

R

H

I

I

T

L

V

L

T

L

G

G

R

Q

V

V

I

Y

D

D

G

G

A

N

G

G

M

H

P

L

L

V

R

R

D

D

A

S

L

F

L

L

E

E

I

V

W

W

Q

Q

A

A

D

D

A

A

A

N

G

G

L

E

Y
|
Y

N

Q

S

D

P

A

S

Y

E

N

L

L

R

E

G

N

T

A

A

-

D

-

P

-

N

-

F

F

T

N

G

S

W

F

G

G

R

R

S

T

P

A

T

T

S

T

D

F

E

D

G

A

G

G

V

E

F

W

T

T

F

L

E

H

T

T

V

V

K

K

P

P

G

G

R

V

V
|
V

P

N

F

N

R

A

D

A

G

G

R

V

L

P

M

M

A

A

P

P

H

H

I

I

S

N

I

I

W

S

I

L

V

F

A

A

R
|
R

G

G

I

I

N

N

I

I

G

H

L

L

H

H

T

T

R

R

M

L

Y

Y

F

F

P

D

D

D

E

E

A

A

A

Q

A

A

N

N

A

A

E

K

D

C

P

P

L

V

L

L

A

N

R

L

I

I

E

E

H

Q

R

P

H

Q

R

R

A

R

E

E

T

T

L

L

V

I

A

A

A

K

G

R

Q

C

A

E

P

V

N

D

-

G

-

K

-

T

-

A

Y

Y

V

R

F

F

D

D

I

I

H

R

L

I

Q

Q

G

G

E

E

K

G

E

E

T

T

V

V

F

F

L

F

D

D

I

F

active site: Y79 (= Y83), V114 (= V122)
binding 4-nitrocatechol: P15 (= P18), R133 (= R141)

3lxvA Tyrosine 447 of protocatechuate 3,4-dioxygenase controls efficient progress through catalysis
46% identity, 98% coverage: 5:204/204 of query aligns to 2:200/200 of 3lxvA

query
sites
3lxvA

L

I

S

E

T

L

L

L

K

P

E

E

T

T

A

P

S

S

Q

Q

T

T

A

A

G

G

P

P

Y

Y

V

V

H

H

I

I

G

G

L

L

T

A

P

L

S

E

F

A

C

A

G

G

I

-

G

N

G

P

V

T

Y

R

E

D

G

Q

D

E

L

I

G

W

A

N

S

R

M

L

V

A

N

K

D

P

K

D

T

A

L

P

G

G

Q

E

R

H

I

I

T

L

V

L

T

L

G

G

R

Q

V

V

I
x
Y

D

D

G

G

A

N

G

G

M

H

P

L

L

V

R

R

D

D

A

S

L

F

L

L

E

E

I

V

W

W

Q

Q

A

A

D

D

A

A

A

N

G

G

L

E

Y
|
Y

N

Q

S

D

P

A

S

Y

E

N

L

L

R

E

G

N

T

A

A

-

D

-

P

-

N

-

F

F

T

N

G

S

W

F

G

G

R

R

S

T

P

A

T

T

S

T

D

F

E

D

G

A

G

G

V

E

F

W

T

T

F

L

E

H

T

T

V

V

K

K

P

P

G

G

R

V

V
|
V

P

N

F

N

R

A

D

A

G

G

R

V

L

P

M
|
M

A

A

P

P

H
|
H

I

I

S
x
N

I

I

W

S

I

L

V

F

A

A

R

R

G

G

I

I

N

N

I

I

G

H

L

L

H

H

T

T

R

R

M

L

Y

Y

F

F

P

D

D

D

E

E

A

A

A

Q

A

A

N

N

A

A

E

K

D

C

P

P

L

V

L

L

A

N

R

L

I

I

E

E

H

Q

R

P

H

Q

R

R

A

R

E

E

T

T

L

L

V

I

A

A

A

K

G

R

Q

C

A

E

P

V

N

D

-

G

-

K

-

T

-

A

Y

Y

V

R

F

F

D

D

I

I

H
x
R

L

I

Q

Q

G

G

E

E

K

G

E

E

T

T

V

V

F

F

L

F

D

D

I

F

active site: Y79 (= Y83), V114 (= V122), M122 (= M130), H125 (= H133), N127 (≠ S135)
binding carbonate ion: Y56 (≠ I60), R188 (≠ H192)

P00437 Protocatechuate 3,4-dioxygenase beta chain; 3,4-PCD; EC 1.13.11.3 from Pseudomonas putida (Arthrobacter siderocapsulatus) (see 2 papers)
33% identity, 98% coverage: 3:201/204 of query aligns to 35:236/239 of P00437

query
sites
P00437

Q

Q

D

A

L

L

S

V

T

S

L

I

K

P

E

Q

T

S

A

I

S

S

Q

E

T

T

A

T

G

G

P

P

-

N

Y

F

V

S

H

H

I

L

G

G

L

F

T

-

P

-

S

-

F

-

C

-

G

-

I

-

G

-

G

G

V

A

Y

H

E

D

G

H

D

D

L

L

G

L

A

L

S

N

M

F

V

N

N

N

D

G

K

G

-

L

T

P

L

I

G

G

Q

E

R

R

I

I

T

I

V

V

T

A

G

G

R

R

V

V

I

V

D

D

G

Q

A

Y

G

G

M

K

P

P

L

V

R

P

D

N

A

T

L

L

L

V

E

E

I

M

W

W

Q

Q

A

A

D

N

A

A

A

G

G

G

L

R

Y
|
Y

N

R

S

H

P

K

S

N

E

D

-

R

L

Y

R

L

G

A

T

P

A

L

D

D

P

P

N

N

F

F

T

G

G

G

W

V

G

G

R

R

S

C

P

L

T

T

S

-

D

D

E

S

G

D

G

G

V

Y

F

Y

T

S

F

F

E

R

T

T

V

I

K

K

P

P

G

G

R

P

V
x
Y

P

P

F

W

R

R

D

N

G

G

-

P

-

N

R

D

L

W

M

R

A

P

P

A

H
|
H

I

I

S
x
H

I

F

W

G

I

I

V

S

A

G

R

P

G

S

I

I

N

A

I

T

G

K

L

L

H

I

T

T

R

Q

M

L

Y

Y

F

F

P

E

D

G

E

D

A

P

A

L

A

I

N

-

A

P

E

M

D

C

P

P

L

I

L

V

A

K

R

S

I

I

E

A

H

N

R

P

H

E

R

A

A

V

E

Q

T

Q

L

L

V

I

A

A

A

K

G

L

Q

D

A

M

P

N

N

N

-

A

-

N

-

P

-

M

-

D

-

C

-

L

-

A

Y

Y

V

R

F

F

D

D

I

I

H

V

L

L

Q

R

G

G

E

Q

K

R

E

K

T

T

V

H

F

F

Y109 (= Y83) binding
Y148 (≠ V122) binding
H161 (= H133) binding
H163 (≠ S135) binding

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

4whrB Anhydride reaction intermediate trapped in protocatechuate 3,4- dioxygenase (pseudomonas putida) at ph 8.5 (see paper)
33% identity, 98% coverage: 3:201/204 of query aligns to 34:235/238 of 4whrB

query
sites
4whrB

Q

Q

D

A

L

L

S

V

T
x
S

L

I

K
x
P

E
x
Q

T

S

A

I

S

S

Q

E

T

T

A

T

G

G

P

P

-

N

Y

F

V

S

H

H

I

L

G

G

L

F

T

-

P

-

S

-

F

-

C

-

G

-

I

-

G

-

G

G

V

A

Y

H

E

D

G

H

D

D

L

L

G

L

A

L

S

N

M

F

V

N

N

N

D

G

K

G

-

L

T

P

L

I

G

G

Q

E

R

R

I

I

T

I

V

V

T

A

G

G

R

R

V

V

I

V

D

D

G

Q

A

Y

G

G

M

K

P

P

L

V

R

P

D

N

A

T

L

L

L

V

E

E

I

M

W

W

Q

Q

A

A

D

N

A

A

A

G

G

G

L

R

Y
|
Y

N

R

S

H

P

K

S

N

E

D

-

R

L

Y

R

L

G

A

T

P

A

L

D

D

P

P

N

N

F

F

T

G

G

G

W

V

G

G

R

R

S

C

P

L

T

T

S

-

D

D

E

S

G

D

G

G

V

Y

F

Y

T

S

F

F

E

R

T

T

V

I

K

K

P

P

G

G

R

P

V
x
Y

P

P

F
x
W

R

R

D

N

G

G

-

P

-

N

R

D

L

W

M
x
R

A

P

P

A

H
|
H

I

I

S
x
H

I

F

W

G

I

I

V

S

A

G

R

P

G

S

I

I

N

A

I

T

G

K

L

L

H

I

T

T

R

Q

M

L

Y

Y

F

F

P

E

D

G

E

D

A

P

A

L

A

I

N

-

A

P

E

M

D

C

P

P

L
x
I

L

V

A

K

R

S

I

I

E

A

H

N

R

P

H

E

R

A

A

V

E

Q

T

Q

L

L

V

I

A

A

A

K

G

L

Q

D

A

M

P

N

N

N

-

A

-

N

-

P

-

M

-

D

-

C

-

L

-

A

Y

Y

V

R

F

F

D

D

I

I

H

V

L

L

Q

R

G

G

E

Q

K
x
R

E

K

T

T

V

H

F

F

active site: Y108 (= Y83), Y147 (≠ V122), R157 (≠ M130), H160 (= H133), H162 (≠ S135)
binding 4-fluorobenzene-1,2-diol: S38 (≠ T7), P40 (≠ K9), P40 (≠ K9), Q41 (≠ E10), R231 (≠ K197)
binding 4-fluorooxepine-2,7-dione: Y147 (≠ V122), W149 (≠ F124), R157 (≠ M130), H160 (= H133), H162 (≠ S135), I191 (≠ L165)
binding fe (iii) ion: Y108 (= Y83), Y147 (≠ V122), H160 (= H133), H162 (≠ S135)

Sites not aligning to the query:

binding 4-fluorobenzene-1,2-diol: 7, 22, 28, 236

Query Sequence

>SM_b20576 FitnessBrowser__Smeli:SM_b20576
MVQDLSTLKETASQTAGPYVHIGLTPSFCGIGGVYEGDLGASMVNDKTLGQRITVTGRVI
DGAGMPLRDALLEIWQADAAGLYNSPSELRGTADPNFTGWGRSPTSDEGGVFTFETVKPG
RVPFRDGRLMAPHISIWIVARGINIGLHTRMYFPDEAAANAEDPLLARIEHRHRAETLVA
AGQAPNYVFDIHLQGEKETVFLDI

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