SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing HSERO_RS19920 FitnessBrowser__HerbieS:HSERO_RS19920 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)

4whrB Anhydride reaction intermediate trapped in protocatechuate 3,4- dioxygenase (pseudomonas putida) at ph 8.5 (see paper)
47% identity, 94% coverage: 11:226/230 of query aligns to 16:233/238 of 4whrB

query
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4whrB

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active site: Y108 (= Y101), Y147 (= Y140), R157 (= R150), H160 (= H153), H162 (= H155)
binding 4-fluorobenzene-1,2-diol: P22 (= P17), I28 (≠ V23), S38 (≠ R33), P40 (≠ R35), P40 (≠ R35), Q41 (≠ D36), R231 (≠ N224)
binding 4-fluorooxepine-2,7-dione: Y147 (= Y140), W149 (= W142), R157 (= R150), H160 (= H153), H162 (= H155), I191 (= I184)
binding fe (iii) ion: Y108 (= Y101), Y147 (= Y140), H160 (= H153), H162 (= H155)

Sites not aligning to the query:

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

4whqB Alkylperoxo reaction intermediate trapped in protocatechuate 3,4- dioxygenase (pseudomonas putida) at ph 6.5 (see paper)
47% identity, 94% coverage: 11:226/230 of query aligns to 16:233/238 of 4whqB

query
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4whqB

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active site: Y108 (= Y101), Y147 (= Y140), R157 (= R150), H160 (= H153), H162 (= H155)
binding 4-fluorobenzene-1,2-diol: R83 (= R76), R109 (≠ F102), H110 (= H103), K111 (= K104), K193 (≠ Q186), I195 (= I188), A196 (≠ P189), V201 (≠ R194), D224 (= D217)
binding (6S)-4-fluoro-6-hydroperoxy-6-hydroxycyclohexa-2,4-dien-1-one: Y108 (= Y101), Y147 (= Y140), W149 (= W142), R157 (= R150), H160 (= H153), H162 (= H155), I191 (= I184)
binding fe (iii) ion: Y108 (= Y101), Y147 (= Y140), H160 (= H153), H162 (= H155)

P00437 Protocatechuate 3,4-dioxygenase beta chain; 3,4-PCD; EC 1.13.11.3 from Pseudomonas putida (Arthrobacter siderocapsulatus) (see 2 papers)
47% identity, 94% coverage: 11:226/230 of query aligns to 17:234/239 of P00437

query
sites
P00437

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Y109 (= Y101) binding
Y148 (= Y140) binding
H161 (= H153) binding
H163 (= H155) binding

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

4whqF Alkylperoxo reaction intermediate trapped in protocatechuate 3,4- dioxygenase (pseudomonas putida) at ph 6.5 (see paper)
47% identity, 94% coverage: 11:226/230 of query aligns to 16:233/236 of 4whqF

query
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4whqF

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active site: Y108 (= Y101), Y147 (= Y140), R157 (= R150), H160 (= H153), H162 (= H155)
binding 4-fluorobenzene-1,2-diol: S38 (≠ R33), I39 (≠ V34), P40 (≠ R35), N66 (≠ T59), G124 (≠ T117), V126 (≠ F119), K193 (≠ Q186), I195 (= I188), A196 (≠ P189), V201 (≠ R194)
binding bicarbonate ion: R109 (≠ F102), H110 (= H103)
binding fe (iii) ion: Y108 (= Y101), H160 (= H153), H162 (= H155)

3lxvM Tyrosine 447 of protocatechuate 3,4-dioxygenase controls efficient progress through catalysis
47% identity, 94% coverage: 11:226/230 of query aligns to 16:233/238 of 3lxvM

query
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3lxvM

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binding 4-nitrocatechol: Y24 (= Y19), Y108 (= Y101), H147 (≠ Y140), W149 (= W142), R157 (= R150), H160 (= H153), H162 (= H155), I191 (= I184)
binding fe (iii) ion: Y108 (= Y101), H160 (= H153), H162 (= H155)

3lktM Tyrosine 447 of protocatechuate 3,4-dioxygenase controls efficient progress through catalysis
47% identity, 94% coverage: 11:226/230 of query aligns to 16:233/238 of 3lktM

query
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3lktM

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Q

Q

A

A

P

L

L

V

R

S

V

I

R

P

D

Q

E

S

I

I

A

S

-

E

-

T

T

T

G

G

T

P

N

N

L

F

F

S

A

H

S

L

P

G

K

F

L

G

I

A

L

H

P

D

H

H

D

D

M

L

D

L

L

L

T

N

K

F

Q

N

G

N

K

G

G

G

E

L

P

P

L

I

G

G

E

E

K

R

I

I

V

I

V

V

T

A

G

G

R

R

V

V

V

V

D

D

E

Q

D

Y

G

G

K

K

P

P

V

V

R

P

N

N

S

T

L

L

L

V

E

E

V

M

W

W

Q

Q

C

A

N

N

A

A

A

G

G

G

R

R

Y
|
Y

F

R

H

H

K

K

K

N

D

D

Q

R

H

Y

D

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

T

G

G

G

F

V

G

G

K

R

M

C

L

L

T

T

D

D

D

S

N

D

G

G

R

Y

Y

Y

R

S

F

F

V

R

S

T

I

I

K

K

P

P

G

G

P

P

Y

H

P

P

W

W

G

R

N

N

H

G

H

P

K

N

A

D

W

W

R

R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

L

I

F

S

G

G

N

P

V

S

Y

I

A

A

Q

T

R

K

L

L

V

I

T

T

Q

Q

M

L

Y

Y

F

F

P

E

N

G

D

D

P

P

L

L

F

I

A

P

Y

M

D

C

P

P

I

I

F

V

Q

K

S

S

I

I

P

A

D

N

E

P

A

E

A

A

R

V

Q

Q

R

Q

L

L

I

I

S

A

R

K

F

L

S

D

L

M

E

N

E

N

T

A

V

N

D

P

D

M

K

D

M

C

L

L

G

A

Y

Y

E

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

R

Q

N

R

A

K

T

T

binding fe (iii) ion: Y108 (= Y101), H160 (= H153), H162 (= H155)

3pckM Structure of protocatechuate 3,4-dioxygenase complexed with 6- hydroxynicotinic acid n-oxide (see paper)
48% identity, 94% coverage: 11:226/230 of query aligns to 16:230/233 of 3pckM

query
sites
3pckM

Y

H

P

P

E

K

L

A

I

L

Y

T

P

P

P

D

Y
|
Y

K

K

S

T

T

S

V

I

K

A

R

R

G

S

P

P

T

R

Q

Q

A

A

P

L

L

V

R

S

V

I

R

P

D

Q

E

S

I

I

A

S

T

E

G

T

T

T

N

G

L

P

F

N

A

F

S

S

P

H

K

L

L

G

I

F

L

G

P

A

H

H

D

D

M

H

D

D

L

L

T

L

K

L

Q

N

G

-

K

F

G

G

E

L

P

P

L

I

G

G

E

E

K

R

I

I

V

I

V

V

T

A

G

G

R

R

V

V

V

V

D

D

E

Q

D

Y

G

G

K

K

P

P

V

V

R

P

N

N

S

T

L

L

L

V

E

E

V

M

W

W

Q

Q

C

A

N

N

A

A

A

G

G

G

R

R

Y
|
Y

F

R

H

H

K

K

K

N

D

D

Q

R

H

Y

D

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

T

G

G

G

F

V

G

G

K

R

M

C

L

L

T

T

D

D

D

S

N

D

G

G

R

Y

Y

Y

R

S

F

F

V

R

S

T

I

I

K

K

P

P

G

G

P

P

Y
|
Y

P

P

W
|
W

G

R

N

N

H

G

H

P

K

N

A

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

L

I

F

S

G

G

N

P

V

S

Y

I

A

A

Q

T

R

K

L

L

V

I

T

T

Q

Q

M

L

Y

Y

F

F

P

E

N

G

D

D

P

P

L

L

F

I

A

P

Y

M

D

C

P

P

I
|
I

F

V

Q

K

S

S

I

I

P

A

D

N

E

P

A

E

A

A

R

V

Q

Q

R

Q

L

L

I

I

S

A

R

K

F

L

S

D

L

M

E

N

E

N

T

A

V

N

D

P

D

M

K

D

M

C

L

L

G

A

Y

Y

E

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

R

Q

N

R

A

K

T

T

active site: Y105 (= Y101), Y144 (= Y140), R154 (= R150), H157 (= H153), H159 (= H155)
binding fe (iii) ion: Y105 (= Y101), H157 (= H153), H159 (= H155)
binding 6-hydroxyisonicotinic acid n-oxide: Y24 (= Y19), Y105 (= Y101), W146 (= W142), R154 (= R150), H157 (= H153), H159 (= H155), I188 (= I184)

3pcjM Structure of protocatechuate 3,4-dioxygenase complexed with 2- hydroxyisonicotinic acid n-oxide (see paper)
48% identity, 94% coverage: 11:226/230 of query aligns to 16:230/233 of 3pcjM

query
sites
3pcjM

Y

H

P

P

E

K

L

A

I

L

Y

T

P

P

P

D

Y
|
Y

K

K

S

T

T

S

V

I

K

A

R

R

G

S

P

P

T

R

Q

Q

A

A

P

L

L

V

R

S

V

I

R

P

D

Q

E

S

I

I

A

S

T

E

G

T

T

T

N

G

L

P

F

N

A

F

S

S

P

H

K

L

L

G

I

F

L

G

P

A

H

H

D

D

M

H

D

D

L

L

T

L

K

L

Q

N

G

-

K

F

G

G

E

L

P

P

L

I

G

G

E

E

K

R

I

I

V

I

V

V

T

A

G

G

R

R

V

V

V

V

D

D

E

Q

D

Y

G

G

K

K

P

P

V

V

R

P

N

N

S

T

L

L

L

V

E

E

V

M

W

W

Q

Q

C

A

N

N

A

A

A

G

G

G

R

R

Y
|
Y

F

R

H

H

K

K

K

N

D

D

Q

R

H

Y

D

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

T

G

G

G

F

V

G

G

K

R

M

C

L

L

T

T

D

D

D

S

N

D

G

G

R

Y

Y

Y

R

S

F

F

V

R

S

T

I

I

K

K

P

P

G

G

P

P

Y
|
Y

P

P

W
|
W

G

R

N

N

H

G

H

P

K

N

A

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

L

I

F

S

G

G

N

P

V

S

Y

I

A

A

Q

T

R

K

L

L

V

I

T

T

Q

Q

M

L

Y

Y

F

F

P

E

N

G

D

D

P

P

L

L

F

I

A

P

Y

M

D

C

P

P

I

I

F

V

Q

K

S

S

I

I

P

A

D

N

E

P

A

E

A

A

R

V

Q

Q

R

Q

L

L

I

I

S

A

R

K

F

L

S

D

L

M

E

N

E

N

T

A

V

N

D

P

D

M

K

D

M

C

L

L

G

A

Y

Y

E

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

R

Q

N

R

A

K

T

T

active site: Y105 (= Y101), Y144 (= Y140), R154 (= R150), H157 (= H153), H159 (= H155)
binding fe (iii) ion: Y105 (= Y101), H157 (= H153), H159 (= H155)
binding 2-hydroxyisonicotinic acid n-oxide: Y24 (= Y19), Y144 (= Y140), W146 (= W142), R154 (= R150), H157 (= H153), H159 (= H155)

3pciM Structure of protocatechuate 3,4-dioxygenase complexed with 3-iodo-4- hydroxybenzoate (see paper)
48% identity, 94% coverage: 11:226/230 of query aligns to 16:230/233 of 3pciM

query
sites
3pciM

Y

H

P

P

E

K

L

A

I

L

Y

T

P

P

P

D

Y

Y

K

K

S

T

T

S

V

I

K

A

R

R

G

S

P

P

T

R

Q

Q

A

A

P

L

L

V

R

S

V

I

R

P

D

Q

E

S

I

I

A

S

T

E

G

T

T

T

N

G

L

P

F

N

A

F

S

S

P

H

K

L

L

G

I

F

L

G

P

A

H

H

D

D

M

H

D

D

L

L

T

L

K

L

Q

N

G

-

K

F

G

G

E

L

P

P

L

I

G

G

E

E

K

R

I

I

V

I

V

V

T

A

G

G

R

R

V

V

V

V

D

D

E

Q

D

Y

G

G

K

K

P

P

V

V

R

P

N

N

S

T

L

L

L

V

E

E

V

M

W

W

Q

Q

C

A

N

N

A

A

A

G

G

G

R

R

Y
|
Y

F

R

H

H

K

K

K

N

D

D

Q

R

H

Y

D

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

T

G

G

G

F

V

G

G

K

R

M

C

L

L

T

T

D

D

D

S

N

D

G

G

R

Y

Y

Y

R

S

F

F

V

R

S

T

I

I

K

K

P

P

G

G

P

P

Y
|
Y

P

P

W

W

G

R

N

N

H

G

H

P

K

N

A

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

L

I

F

S

G

G

N

P

V

S

Y

I

A

A

Q

T

R

K

L

L

V

I

T

T

Q

Q

M

L

Y

Y

F

F

P

E

N

G

D

D

P

P

L

L

F

I

A

P

Y

M

D

C

P

P

I

I

F

V

Q

K

S

S

I

I

P

A

D

N

E

P

A

E

A

A

R

V

Q

Q

R

Q

L

L

I

I

S

A

R

K

F

L

S

D

L

M

E

N

E

N

T

A

V

N

D

P

D

M

K

D

M

C

L

L

G

A

Y

Y

E

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

R

Q

N

R

A

K

T

T

active site: Y105 (= Y101), Y144 (= Y140), R154 (= R150), H157 (= H153), H159 (= H155)
binding fe (iii) ion: Y105 (= Y101), Y144 (= Y140), H157 (= H153), H159 (= H155)
binding 3-iodo-4-hydroxybenzoic acid: Y105 (= Y101), Y144 (= Y140), H159 (= H155)

3pchM Structure of protocatechuate 3,4-dioxygenase complexed with 3-chloro- 4-hydroxybenzoate (see paper)
48% identity, 94% coverage: 11:226/230 of query aligns to 16:230/233 of 3pchM

query
sites
3pchM

Y

H

P

P

E

K

L

A

I

L

Y

T

P

P

P

D

Y
|
Y

K

K

S

T

T

S

V

I

K

A

R

R

G

S

P

P

T

R

Q

Q

A

A

P

L

L

V

R

S

V

I

R

P

D

Q

E

S

I

I

A

S

T

E

G

T

T

T

N

G

L

P

F

N

A

F

S

S

P

H

K

L

L

G

I

F

L

G

P

A

H

H

D

D

M

H

D

D

L

L

T

L

K

L

Q

N

G

-

K

F

G

G

E

L

P

P

L

I

G

G

E

E

K

R

I

I

V

I

V

V

T

A

G

G

R

R

V

V

V

V

D

D

E

Q

D

Y

G

G

K

K

P

P

V

V

R

P

N

N

S

T

L

L

L

V

E

E

V

M

W

W

Q

Q

C

A

N

N

A

A

A

G

G

G

R

R

Y
|
Y

F

R

H

H

K

K

K

N

D

D

Q

R

H

Y

D

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

T

G

G

G

F

V

G

G

K

R

M

C

L

L

T

T

D

D

D

S

N

D

G

G

R

Y

Y

Y

R

S

F

F

V

R

S

T

I

I

K

K

P

P

G

G

P

P

Y
|
Y

P

P

W
|
W

G

R

N

N

H

G

H

P

K

N

A

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

L

I

F

S

G

G

N

P

V

S

Y

I

A

A

Q

T

R

K

L

L

V

I

T

T

Q
|
Q

M

L

Y

Y

F

F

P

E

N

G

D

D

P

P

L

L

F

I

A

P

Y

M

D

C

P

P

I
|
I

F

V

Q

K

S

S

I

I

P

A

D

N

E

P

A

E

A

A

R

V

Q

Q

R

Q

L

L

I

I

S

A

R

K

F

L

S

D

L

M

E

N

E

N

T

A

V

N

D

P

D

M

K

D

M

C

L

L

G

A

Y

Y

E

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

R

Q

N

R

A

K

T

T

active site: Y105 (= Y101), Y144 (= Y140), R154 (= R150), H157 (= H153), H159 (= H155)
binding 3-chloro-4-hydroxybenzoic acid: Y24 (= Y19), Y144 (= Y140), W146 (= W142), R154 (= R150), H157 (= H153), H159 (= H155), Q174 (= Q170), I188 (= I184)
binding fe (iii) ion: Y105 (= Y101), Y144 (= Y140), H157 (= H153), H159 (= H155)

3pcgM Structure of protocatechuate 3,4-dioxygenase complexed with the inhibitor 4-hydroxyphenylacetate (see paper)
48% identity, 94% coverage: 11:226/230 of query aligns to 16:230/233 of 3pcgM

query
sites
3pcgM

Y

H

P

P

E

K

L

A

I

L

Y

T

P

P

P

D

Y
|
Y

K

K

S

T

T

S

V

I

K

A

R

R

G

S

P

P

T

R

Q

Q

A

A

P

L

L

V

R

S

V

I

R

P

D

Q

E

S

I

I

A

S

T

E

G

T

T

T

N

G

L

P

F

N

A

F

S

S

P

H

K

L

L

G

I

F

L

G

P

A

H

H

D

D

M

H

D

D

L

L

T

L

K

L

Q

N

G

-

K

F

G

G

E

L

P

P

L

I

G

G

E

E

K

R

I

I

V

I

V

V

T

A

G

G

R

R

V

V

V

V

D

D

E

Q

D

Y

G

G

K

K

P

P

V

V

R

P

N

N

S

T

L

L

L

V

E

E

V

M

W

W

Q

Q

C

A

N

N

A

A

A

G

G

G

R

R

Y
|
Y

F

R

H

H

K

K

K

N

D

D

Q

R

H

Y

D

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

T

G

G

G

F

V

G

G

K

R

M

C

L

L

T

T

D

D

D

S

N

D

G

G

R

Y

Y

Y

R

S

F

F

V

R

S

T

I

I

K

K

P

P

G

G

P

P

Y
|
Y

P

P

W
|
W

G

R

N

N

H

G

H

P

K

N

A

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

L

I

F

S

G

G

N

P

V

S

Y

I

A

A

Q

T

R

K

L

L

V

I

T

T

Q

Q

M

L

Y

Y

F

F

P

E

N

G

D

D

P

P

L

L

F

I

A

P

Y

M

D

C

P

P

I
|
I

F

V

Q

K

S

S

I

I

P

A

D

N

E

P

A

E

A

A

R

V

Q

Q

R

Q

L

L

I

I

S

A

R

K

F

L

S

D

L

M

E

N

E

N

T

A

V

N

D

P

D

M

K

D

M

C

L

L

G

A

Y

Y

E

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

R

Q

N

R

A

K

T

T

active site: Y105 (= Y101), Y144 (= Y140), R154 (= R150), H157 (= H153), H159 (= H155)
binding 4-hydroxyphenylacetate: Y24 (= Y19), Y105 (= Y101), Y144 (= Y140), W146 (= W142), R154 (= R150), H159 (= H155), I188 (= I184)
binding fe (iii) ion: Y105 (= Y101), Y144 (= Y140), H157 (= H153), H159 (= H155)

3pcfM Structure of protocatechuate 3,4-dioxygenase complexed with 3-fluro-4- hydroxybenzoate (see paper)
48% identity, 94% coverage: 11:226/230 of query aligns to 16:230/233 of 3pcfM

query
sites
3pcfM

Y

H

P

P

E

K

L

A

I

L

Y

T

P
|
P

P

D

Y
|
Y

K

K

S

T

T

S

V
x
I

K

A

R

R

G

S

P

P

T

R

Q

Q

A

A

P

L

L

V

R

S

V

I

R

P

D

Q

E

S

I

I

A

S

T

E

G

T

T

T

N

G

L

P

F

N

A

F

S

S

P

H

K

L

L

G

I

F

L

G

P

A

H

H

D

D

M

H

D

D

L

L

T

L

K

L

Q

N

G

-

K

F

G

G

E

L

P

P

L

I

G

G

E

E

K

R

I

I

V

I

V

V

T

A

G

G

R

R

V

V

V

V

D

D

E

Q

D

Y

G

G

K

K

P

P

V

V

R

P

N

N

S

T

L

L

L

V

E

E

V

M

W

W

Q

Q

C

A

N

N

A

A

A

G

G

G

R

R

Y
|
Y

F

R

H

H

K

K

K

N

D

D

Q

R

H

Y

D

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

T

G

G

G

F

V

G

G

K

R

M

C

L

L

T

T

D

D

D

S

N

D

G

G

R

Y

Y

Y

R

S

F

F

V

R

S

T

I

I

K

K

P

P

G

G

P

P

Y
|
Y

P

P

W
|
W

G

R

N

N

H

G

H

P

K

N

A

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

L

I

F

S

G

G

N

P

V

S

Y

I

A

A

Q

T

R

K

L

L

V

I

T

T

Q

Q

M

L

Y

Y

F

F

P

E

N

G

D

D

P

P

L

L

F

I

A

P

Y

M

D

C

P

P

I
|
I

F

V

Q

K

S

S

I

I

P

A

D

N

E

P

A

E

A

A

R

V

Q

Q

R

Q

L

L

I

I

S

A

R

K

F

L

S

D

L

M

E

N

E

N

T

A

V

N

D

P

D

M

K

D

M

C

L

L

G

A

Y

Y

E

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

R

Q

N

R

A

K

T

T

active site: Y105 (= Y101), Y144 (= Y140), R154 (= R150), H157 (= H153), H159 (= H155)
binding fe (iii) ion: Y105 (= Y101), Y144 (= Y140), H157 (= H153), H159 (= H155)
binding 3-fluoro-4-hydroxybenzoic acid: P22 (= P17), Y24 (= Y19), I28 (≠ V23), Y144 (= Y140), W146 (= W142), R154 (= R150), H157 (= H153), H159 (= H155), I188 (= I184)

3pceM Structure of protocatechuate 3,4-dioxygenase complexed with 3- hydroxyphenylacetate (see paper)
48% identity, 94% coverage: 11:226/230 of query aligns to 16:230/233 of 3pceM

query
sites
3pceM

Y

H

P

P

E

K

L

A

I

L

Y

T

P

P

P

D

Y

Y

K

K

S

T

T

S

V

I

K

A

R

R

G

S

P

P

T

R

Q

Q

A

A

P

L

L

V

R

S

V

I

R

P

D

Q

E

S

I

I

A

S

T

E

G

T

T

T

N

G

L

P

F

N

A

F

S

S

P

H

K

L

L

G

I

F

L

G

P

A

H

H

D

D

M

H

D

D

L

L

T

L

K

L

Q

N

G

-

K

F

G

G

E

L

P

P

L

I

G

G

E

E

K

R

I

I

V

I

V

V

T

A

G

G

R

R

V

V

V

V

D

D

E

Q

D

Y

G

G

K

K

P

P

V

V

R

P

N

N

S

T

L

L

L

V

E

E

V

M

W

W

Q

Q

C

A

N

N

A

A

A

G

G

G

R

R

Y
|
Y

F

R

H

H

K

K

K

N

D

D

Q

R

H

Y

D

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

T

G

G

G

F

V

G

G

K

R

M

C

L

L

T

T

D

D

D

S

N

D

G

G

R

Y

Y

Y

R

S

F

F

V

R

S

T

I

I

K

K

P

P

G

G

P

P

Y
|
Y

P

P

W
|
W

G

R

N

N

H

G

H

P

K

N

A

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

L

I

F

S

G

G

N

P

V

S

Y

I

A

A

Q

T

R

K

L

L

V

I

T

T

Q

Q

M

L

Y

Y

F

F

P

E

N

G

D

D

P

P

L

L

F

I

A

P

Y

M

D

C

P

P

I
|
I

F

V

Q

K

S

S

I

I

P

A

D

N

E

P

A

E

A

A

R

V

Q

Q

R

Q

L

L

I

I

S

A

R

K

F

L

S

D

L

M

E

N

E

N

T

A

V

N

D

P

D

M

K

D

M

C

L

L

G

A

Y

Y

E

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

R

Q

N

R

A

K

T

T

active site: Y105 (= Y101), Y144 (= Y140), R154 (= R150), H157 (= H153), H159 (= H155)
binding 3-hydroxyphenylacetate: Y105 (= Y101), Y144 (= Y140), W146 (= W142), R154 (= R150), H159 (= H155), I188 (= I184)
binding fe (iii) ion: Y105 (= Y101), Y144 (= Y140), H157 (= H153), H159 (= H155)

3pcbM Structure of protocatechuate 3,4-dioxygenase complexed with 3- hydroxybenzoate (see paper)
48% identity, 94% coverage: 11:226/230 of query aligns to 16:230/233 of 3pcbM

query
sites
3pcbM

Y

H

P

P

E

K

L

A

I

L

Y

T

P

P

P

D

Y
|
Y

K

K

S

T

T

S

V

I

K

A

R

R

G

S

P

P

T

R

Q

Q

A

A

P

L

L

V

R

S

V

I

R

P

D

Q

E

S

I

I

A

S

T

E

G

T

T

T

N

G

L

P

F

N

A

F

S

S

P

H

K

L

L

G

I

F

L

G

P

A

H

H

D

D

M

H

D

D

L

L

T

L

K

L

Q

N

G

-

K

F

G

G

E

L

P

P

L

I

G

G

E

E

K

R

I

I

V

I

V

V

T

A

G

G

R

R

V

V

V

V

D

D

E

Q

D

Y

G

G

K

K

P

P

V

V

R

P

N

N

S

T

L

L

L

V

E

E

V

M

W

W

Q

Q

C

A

N

N

A

A

A

G

G

G

R

R

Y
|
Y

F

R

H

H

K

K

K

N

D

D

Q

R

H

Y

D

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

T

G

G

G

F

V

G

G

K

R

M

C

L

L

T

T

D

D

D

S

N

D

G

G

R

Y

Y

Y

R

S

F

F

V

R

S

T

I

I

K

K

P

P

G

G

P

P

Y
|
Y

P

P

W
|
W

G

R

N

N

H

G

H

P

K

N

A

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

L

I

F

S

G

G

N

P

V

S

Y

I

A

A

Q

T

R

K

L

L

V

I

T

T

Q

Q

M

L

Y

Y

F

F

P

E

N

G

D

D

P

P

L

L

F

I

A

P

Y

M

D

C

P

P

I
|
I

F

V

Q

K

S

S

I

I

P

A

D

N

E

P

A

E

A

A

R

V

Q

Q

R

Q

L

L

I

I

S

A

R

K

F

L

S

D

L

M

E

N

E

N

T

A

V

N

D

P

D

M

K

D

M

C

L

L

G

A

Y

Y

E

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

R

Q

N

R

A

K

T

T

active site: Y105 (= Y101), Y144 (= Y140), R154 (= R150), H157 (= H153), H159 (= H155)
binding 3-hydroxybenzoic acid: Y24 (= Y19), Y144 (= Y140), W146 (= W142), R154 (= R150), I188 (= I184)
binding fe (iii) ion: Y105 (= Y101), Y144 (= Y140), H157 (= H153), H159 (= H155)

3mv4M Axial ligand swapping in double mutant maintains intradiol-cleavage chemistry in protocatechuate 3,4-dioxygenase
46% identity, 94% coverage: 11:226/230 of query aligns to 16:233/238 of 3mv4M

query
sites
3mv4M

Y

H

P

P

E

K

L

A

I

L

Y

T

P

P

P

D

Y

Y

K

K

S

T

T

S

V

I

K

A

R

R

G

S

P

P

T

R

Q

Q

A

A

P

L

L

V

R

S

V

I

R

P

D

Q

E

S

I

I

A

S

-

E

-

T

T

T

G

G

T

P

N

N

L

F

F

S

A

H

S

L

P

G

K

F

L

G

I

A

L

H

P

D

H

H

D

D

M

L

D

L

L

L

T

N

K

F

Q

N

G

N

K

G

G

G

E

L

P

P

L

I

G

G

E

E

K

R

I

I

V

I

V

V

T

A

G

G

R

R

V

V

V

V

D

D

E

Q

D

Y

G

G

K

K

P

P

V

V

R

P

N

N

S

T

L

L

L

V

E

E

V

M

W

W

Q

Q

C

A

N

N

A

A

A

G

G

G

R

R

Y
|
Y

F

R

H

H

K

K

K

N

D

D

Q

R

H

Y

D

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

T

G

G

G

F

V

G

G

K

R

M

C

L

L

T

T

D

D

D

S

N

D

G

G

R

Y

Y

Y

R

S

F

F

V

R

S

T

I

I

K

K

P

P

G

G

P

P

Y
x
H

P

P

W

W

G

R

N

N

H

G

H

P

K

N

A

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
x
Y

F

F

S

G

L

I

F

S

G

G

N

P

V

S

Y

I

A

A

Q

T

R

K

L

L

V

I

T

T

Q

Q

M

L

Y

Y

F

F

P

E

N

G

D

D

P

P

L

L

F

I

A

P

Y

M

D

C

P

P

I

I

F

V

Q

K

S

S

I

I

P

A

D

N

E

P

A

E

A

A

R

V

Q

Q

R

Q

L

L

I

I

S

A

R

K

F

L

S

D

L

M

E

N

E

N

T

A

V

N

D

P

D

M

K

D

M

C

L

L

G

A

Y

Y

E

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

R

Q

N

R

A

K

T

T

binding carbonate ion: Y108 (= Y101), H147 (≠ Y140), R157 (= R150), Y162 (≠ H155)
binding fe (iii) ion: Y108 (= Y101), H147 (≠ Y140), H160 (= H153), Y162 (≠ H155)

3mi5M Axial ligand swapping in double mutant maintains intradiol-cleavage chemistry in protocatechuate 3,4-dioxygenase
46% identity, 94% coverage: 11:226/230 of query aligns to 16:233/238 of 3mi5M

query
sites
3mi5M

Y

H

P

P

E

K

L

A

I

L

Y

T

P

P

P

D

Y

Y

K

K

S

T

T

S

V

I

K

A

R

R

G

S

P

P

T

R

Q

Q

A

A

P

L

L

V

R

S

V

I

R

P

D

Q

E

S

I

I

A

S

-

E

-

T

T

T

G

G

T

P

N

N

L

F

F

S

A

H

S

L

P

G

K

F

L

G

I

A

L

H

P

D

H

H

D

D

M

L

D

L

L

L

T

N

K

F

Q

N

G

N

K

G

G

G

E

L

P

P

L

I

G

G

E

E

K

R

I

I

V

I

V

V

T

A

G

G

R

R

V

V

V

V

D

D

E

Q

D

Y

G

G

K

K

P

P

V

V

R

P

N

N

S

T

L

L

L

V

E

E

V

M

W

W

Q

Q

C

A

N

N

A

A

A

G

G

G

R

R

Y
|
Y

F

R

H

H

K

K

K

N

D

D

Q

R

H

Y

D

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

T

G

G

G

F

V

G

G

K

R

M

C

L

L

T

T

D

D

D

S

N

D

G

G

R

Y

Y

Y

R

S

F

F

V

R

S

T

I

I

K

K

P

P

G

G

P

P

Y
x
H

P

P

W
|
W

G

R

N

N

H

G

H

P

K

N

A

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
x
Y

F

F

S

G

L

I

F

S

G

G

N

P

V

S

Y

I

A

A

Q

T

R

K

L

L

V

I

T

T

Q

Q

M

L

Y

Y

F

F

P

E

N

G

D

D

P

P

L

L

F

I

A

P

Y

M

D

C

P

P

I

I

F

V

Q

K

S

S

I

I

P

A

D

N

E

P

A

E

A

A

R

V

Q

Q

R

Q

L

L

I

I

S

A

R

K

F

L

S

D

L

M

E

N

E

N

T

A

V

N

D

P

D

M

K

D

M

C

L

L

G

A

Y

Y

E

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

R

Q

N

R

A

K

T

T

binding catechol: Y108 (= Y101), H147 (≠ Y140), W149 (= W142), R157 (= R150), H160 (= H153), Y162 (≠ H155)
binding fe (iii) ion: Y108 (= Y101), H160 (= H153), Y162 (≠ H155)

3mflM Axial ligand swapping in double mutant maintains intradiol-cleavage chemistry in protocatechuate 3,4-dioxygenase
46% identity, 94% coverage: 11:226/230 of query aligns to 16:233/238 of 3mflM

query
sites
3mflM

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binding 2-(3,4-dihydroxyphenyl)acetic acid: Y108 (= Y101), H147 (≠ Y140), W149 (= W142), R157 (= R150), H160 (= H153), Y162 (≠ H155)
binding fe (iii) ion: Y108 (= Y101), H160 (= H153), Y162 (≠ H155)

2buqB Crystal structure of wild-type protocatechuate 3,4-dioxygenase from acinetobacter sp. Adp1 in complex with catechol (see paper)
46% identity, 94% coverage: 11:226/230 of query aligns to 14:231/238 of 2buqB

query
sites
2buqB

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active site: Y106 (= Y101), Y145 (= Y140), R155 (= R150), H158 (= H153), H160 (= H155)
binding catechol: Y106 (= Y101), R155 (= R150), H158 (= H153)
binding fe (iii) ion: Y106 (= Y101), H158 (= H153), H160 (= H155)

2bumB Crystal structure of wild-type protocatechuate 3,4-dioxygenase from acinetobacter sp. Adp1 (see paper)
46% identity, 94% coverage: 11:226/230 of query aligns to 14:231/238 of 2bumB

query
sites
2bumB

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active site: Y106 (= Y101), Y145 (= Y140), R155 (= R150), H158 (= H153), H160 (= H155)
binding fe (iii) ion: Y106 (= Y101), Y145 (= Y140), H158 (= H153), H160 (= H155)

1eocB Crystal structure of acinetobacter sp. Adp1 protocatechuate 3,4- dioxygenase in complex with 4-nitrocatechol (see paper)
46% identity, 94% coverage: 11:226/230 of query aligns to 14:231/238 of 1eocB

query
sites
1eocB

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active site: Y106 (= Y101), Y145 (= Y140), R155 (= R150), H158 (= H153), H160 (= H155)
binding 4-nitrocatechol: Y22 (= Y19), Y106 (= Y101), W147 (= W142), R155 (= R150), H158 (= H153), H160 (= H155), I189 (= I184)
binding fe (iii) ion: Y106 (= Y101), H158 (= H153), H160 (= H155)

Query Sequence

>HSERO_RS19920 FitnessBrowser__HerbieS:HSERO_RS19920
MQFDAIEPGVYPELIYPPYKSTVKRGPTQAPLRVRDEIATGTNLFASPKLILPHDMDLTK
QGKGEPLGEKIVVTGRVVDEDGKPVRNSLLEVWQCNAAGRYFHKKDQHDAPLDPNFTGFG
KMLTDDNGRYRFVSIKPGPYPWGNHHKAWRPAHIHFSLFGNVYAQRLVTQMYFPNDPLFA
YDPIFQSIPDEAARQRLISRFSLEETVDDKMLGYEFDIVLRGRNATPMGI

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