SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Pf1N1B4_5584 FitnessBrowser__pseudo1_N1B4:Pf1N1B4_5584 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)

P00437 Protocatechuate 3,4-dioxygenase beta chain; 3,4-PCD; EC 1.13.11.3 from Pseudomonas putida (Arthrobacter siderocapsulatus) (see 2 papers)
89% identity, 100% coverage: 1:239/239 of query aligns to 1:239/239 of P00437

query
sites
P00437

M
|
M

S

P

D

A

A

Q

D

D

S

N

S

S

R

R

F

F

V

V

I

I

R

R

D

D

R

R

N

N

W

W

H

H

P

P

K

K

A

A

L

L

T

T

P

P

D

D

Y

Y

K

K

T

T

S

S

V

I

A

A

R

R

S

S

P

P

R

R

Q

Q

A

A

L

L

V

V

S

S

I

I

P

P

Q

Q

S

S

A

I

S

S

E

E

T

T

S

T

G

G

P

P

D

N

F

F

S

S

H

H

L

L

K

G

M

F

G

G

R

A

F

H

D

D

N

H

D

D

L

L

L

L

L

L

N

N

F

F

N

N

N

N

G

G

G

G

L

L

P

P

V

I

G

G

E

E

R

R

I

I

I

I

V

V

S

A

G

G

R

R

V

V

C

V

D

D

Q

Q

Y

Y

G

G

K

K

P

P

I

V

P

P

H

N

T

T

L

L

V

V

E

E

M

M

W

W

Q

Q

A

A

N

N

A

A

G

G

G

G

R

R

Y
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Y

R

R

H

H

K

K

N

N

D

D

R

R

Y

Y

L

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

G

G

G

G

V

V

G

G

R

R

A

C

L

L

T

T

D

D

R

S

D

D

G

G

Y

Y

Y

Y

S

S

F

F

R

R

T

T

I

I

K

K

P

P

G

G

P

P

Y
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Y

P

P

W

W

R

R

N

N

G

G

P

P

N

N

E

D

W

W

R

R

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P

A

A

H
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H

I

I

H
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H

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F

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G

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G

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L

L

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Q

L

L

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Y

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F

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L

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M

C

C

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K

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I

A

A

N

N

P

P

E

E

A

A

V

V

Q

Q

S

Q

L

L

I

I

A

A

R

K

L

L

D

D

M

M

G

N

N

N

A

A

N

N

P

P

M

M

D

D

C

C

L

L

A

A

Y

Y

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R

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F

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D

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L

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H

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F

E

E

N

N

C

C

M1 (= M1) modified: Initiator methionine, Removed
Y109 (= Y109) binding
Y148 (= Y148) binding
H161 (= H161) binding
H163 (= H163) binding

4whrB Anhydride reaction intermediate trapped in protocatechuate 3,4- dioxygenase (pseudomonas putida) at ph 8.5 (see paper)
90% identity, 98% coverage: 5:239/239 of query aligns to 4:238/238 of 4whrB

query
sites
4whrB

D

D

S

N

S

S

R
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R

F

F

V

V

I

I

R

R

D

D

R

R

N

N

W

W

H

H

P

P

K

K

A

A

L

L

T

T

P
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P

D

D

Y

Y

K

K

T

T

S

S

V
x
I

A

A

R

R

S

S

P

P

R

R

Q

Q

A

A

L

L

V

V

S
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S

I

I

P
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P

Q
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Q

S

S

A

I

S

S

E

E

T

T

S

T

G

G

P

P

D

N

F

F

S

S

H

H

L

L

K

G

M

F

G

G

R

A

F

H

D

D

N

H

D

D

L

L

L

L

L

L

N

N

F

F

N

N

N

N

G

G

G

G

L

L

P

P

V

I

G

G

E

E

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R

I

I

I

I

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A

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G

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V

D

D

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Y

Y

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G

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K

P

P

I

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P

H

N

T

T

L

L

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V

E

E

M

M

W

W

Q

Q

A

A

N

N

A

A

G

G

G

G

R

R

Y
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Y

R

R

H

H

K

K

N

N

D

D

R

R

Y

Y

L

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

G

G

G

G

V

V

G

G

R

R

A

C

L

L

T

T

D

D

R

S

D

D

G

G

Y

Y

Y

Y

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F

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R

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T

I

I

K

K

P

P

G

G

P

P

Y
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Y

P

P

W
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W

R

R

N

N

G

G

P

P

N

N

E

D

W

W

R
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R

P

P

A

A

H
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H

I

I

H
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H

F

F

S

G

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G

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P

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L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

P

P

M

M

C

C

P

P

I
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I

V

V

K

K

S

S

I

I

A

A

N

N

P

P

E

E

A

A

V

V

Q

Q

S

Q

L

L

I

I

A

A

R

K

L

L

D

D

M

M

G

N

N

N

A

A

N

N

P

P

M

M

D

D

C

C

L

L

A

A

Y

Y

R

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

Q

Q

R
|
R

K

K

T

T

H

H

F

F

E
|
E

N

N

C

C

active site: Y108 (= Y109), Y147 (= Y148), R157 (= R158), H160 (= H161), H162 (= H163)
binding 4-fluorobenzene-1,2-diol: R7 (= R8), P22 (= P23), I28 (≠ V29), S38 (= S39), P40 (= P41), P40 (= P41), Q41 (= Q42), R231 (= R232), E236 (= E237)
binding 4-fluorooxepine-2,7-dione: Y147 (= Y148), W149 (= W150), R157 (= R158), H160 (= H161), H162 (= H163), I191 (= I192)
binding fe (iii) ion: Y108 (= Y109), Y147 (= Y148), H160 (= H161), H162 (= H163)

4whqB Alkylperoxo reaction intermediate trapped in protocatechuate 3,4- dioxygenase (pseudomonas putida) at ph 6.5 (see paper)
90% identity, 98% coverage: 5:239/239 of query aligns to 4:238/238 of 4whqB

query
sites
4whqB

D

D

S

N

S

S

R

R

F

F

V

V

I

I

R

R

D

D

R

R

N

N

W

W

H

H

P

P

K

K

A

A

L

L

T

T

P

P

D

D

Y

Y

K

K

T

T

S

S

V

I

A

A

R

R

S

S

P

P

R

R

Q

Q

A

A

L

L

V

V

S

S

I

I

P

P

Q

Q

S

S

A

I

S

S

E

E

T

T

S

T

G

G

P

P

D

N

F

F

S

S

H

H

L

L

K

G

M

F

G

G

R

A

F

H

D

D

N

H

D

D

L

L

L

L

L

L

N

N

F

F

N

N

N

N

G

G

G

G

L

L

P

P

V

I

G

G

E

E

R

R

I

I

I

I

V

V

S

A

G

G

R
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R

V

V

C

V

D

D

Q

Q

Y

Y

G

G

K

K

P

P

I

V

P

P

H

N

T

T

L

L

V

V

E

E

M

M

W

W

Q

Q

A

A

N

N

A

A

G

G

G

G

R

R

Y
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Y

R
|
R

H
|
H

K
|
K

N

N

D

D

R

R

Y

Y

L

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

G

G

G

G

V

V

G

G

R

R

A

C

L

L

T

T

D

D

R

S

D

D

G

G

Y

Y

Y

Y

S

S

F

F

R

R

T

T

I

I

K

K

P

P

G

G

P

P

Y
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Y

P

P

W
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W

R

R

N

N

G

G

P

P

N

N

E

D

W

W

R
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R

P

P

A

A

H
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H

I

I

H
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H

F

F

S

G

I

I

S

S

G

G

P

P

S

S

I

I

A

A

S

T

R

K

L

L

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I

T

T

Q

Q

L

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

P

P

M

M

C

C

P

P

I
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I

V

V

K
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K

S

S

I
|
I

A
|
A

N

N

P

P

E

E

A

A

V
|
V

Q

Q

S

Q

L

L

I

I

A

A

R

K

L

L

D

D

M

M

G

N

N

N

A

A

N

N

P

P

M

M

D

D

C

C

L

L

A

A

Y

Y

R

R

F

F

D
|
D

I

I

V

V

L

L

R

R

G

G

Q

Q

R

R

K

K

T

T

H

H

F

F

E

E

N

N

C

C

active site: Y108 (= Y109), Y147 (= Y148), R157 (= R158), H160 (= H161), H162 (= H163)
binding 4-fluorobenzene-1,2-diol: R83 (= R84), R109 (= R110), H110 (= H111), K111 (= K112), K193 (= K194), I195 (= I196), A196 (= A197), V201 (= V202), D224 (= D225)
binding (6S)-4-fluoro-6-hydroperoxy-6-hydroxycyclohexa-2,4-dien-1-one: Y108 (= Y109), Y147 (= Y148), W149 (= W150), R157 (= R158), H160 (= H161), H162 (= H163), I191 (= I192)
binding fe (iii) ion: Y108 (= Y109), Y147 (= Y148), H160 (= H161), H162 (= H163)

3lxvM Tyrosine 447 of protocatechuate 3,4-dioxygenase controls efficient progress through catalysis
89% identity, 98% coverage: 5:239/239 of query aligns to 4:238/238 of 3lxvM

query
sites
3lxvM

D

D

S

N

S

S

R

R

F

F

V

V

I

I

R

R

D

D

R

R

N

N

W

W

H

H

P

P

K

K

A

A

L

L

T

T

P

P

D

D

Y
|
Y

K

K

T

T

S

S

V

I

A

A

R

R

S

S

P

P

R

R

Q

Q

A

A

L

L

V

V

S

S

I

I

P

P

Q

Q

S

S

A

I

S

S

E

E

T

T

S

T

G

G

P

P

D

N

F

F

S

S

H

H

L

L

K

G

M

F

G

G

R

A

F

H

D

D

N

H

D

D

L

L

L

L

L

L

N

N

F

F

N

N

N

N

G

G

G

G

L

L

P

P

V

I

G

G

E

E

R

R

I

I

I

I

V

V

S

A

G

G

R

R

V

V

C

V

D

D

Q

Q

Y

Y

G

G

K

K

P

P

I

V

P

P

H

N

T

T

L

L

V

V

E

E

M

M

W

W

Q

Q

A

A

N

N

A

A

G

G

G

G

R

R

Y
|
Y

R

R

H

H

K

K

N

N

D

D

R

R

Y

Y

L

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

G

G

G

G

V

V

G

G

R

R

A

C

L

L

T

T

D

D

R

S

D

D

G

G

Y

Y

Y

Y

S

S

F

F

R

R

T

T

I

I

K

K

P

P

G

G

P

P

Y
x
H

P

P

W
|
W

R

R

N

N

G

G

P

P

N

N

E

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

I

I

S

S

G

G

P

P

S

S

I

I

A

A

S

T

R

K

L

L

I

I

T

T

Q

Q

L

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

P

P

M

M

C

C

P

P

I
|
I

V

V

K

K

S

S

I

I

A

A

N

N

P

P

E

E

A

A

V

V

Q

Q

S

Q

L

L

I

I

A

A

R

K

L

L

D

D

M

M

G

N

N

N

A

A

N

N

P

P

M

M

D

D

C

C

L

L

A

A

Y

Y

R

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

Q

Q

R

R

K

K

T

T

H

H

F

F

E

E

N

N

C

C

binding 4-nitrocatechol: Y24 (= Y25), Y108 (= Y109), H147 (≠ Y148), W149 (= W150), R157 (= R158), H160 (= H161), H162 (= H163), I191 (= I192)
binding fe (iii) ion: Y108 (= Y109), H160 (= H161), H162 (= H163)

3lktM Tyrosine 447 of protocatechuate 3,4-dioxygenase controls efficient progress through catalysis
89% identity, 98% coverage: 5:239/239 of query aligns to 4:238/238 of 3lktM

query
sites
3lktM

D

D

S

N

S

S

R

R

F

F

V

V

I

I

R

R

D

D

R

R

N

N

W

W

H

H

P

P

K

K

A

A

L

L

T

T

P

P

D

D

Y

Y

K

K

T

T

S

S

V

I

A

A

R

R

S

S

P

P

R

R

Q

Q

A

A

L

L

V

V

S

S

I

I

P

P

Q

Q

S

S

A

I

S

S

E

E

T

T

S

T

G

G

P

P

D

N

F

F

S

S

H

H

L

L

K

G

M

F

G

G

R

A

F

H

D

D

N

H

D

D

L

L

L

L

L

L

N

N

F

F

N

N

N

N

G

G

G

G

L

L

P

P

V

I

G

G

E

E

R

R

I

I

I

I

V

V

S

A

G

G

R

R

V

V

C

V

D

D

Q

Q

Y

Y

G

G

K

K

P

P

I

V

P

P

H

N

T

T

L

L

V

V

E

E

M

M

W

W

Q

Q

A

A

N

N

A

A

G

G

G

G

R

R

Y
|
Y

R

R

H

H

K

K

N

N

D

D

R

R

Y

Y

L

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

G

G

G

G

V

V

G

G

R

R

A

C

L

L

T

T

D

D

R

S

D

D

G

G

Y

Y

Y

Y

S

S

F

F

R

R

T

T

I

I

K

K

P

P

G

G

P

P

Y

H

P

P

W

W

R

R

N

N

G

G

P

P

N

N

E

D

W

W

R

R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

I

I

S

S

G

G

P

P

S

S

I

I

A

A

S

T

R

K

L

L

I

I

T

T

Q

Q

L

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

P

P

M

M

C

C

P

P

I

I

V

V

K

K

S

S

I

I

A

A

N

N

P

P

E

E

A

A

V

V

Q

Q

S

Q

L

L

I

I

A

A

R

K

L

L

D

D

M

M

G

N

N

N

A

A

N

N

P

P

M

M

D

D

C

C

L

L

A

A

Y

Y

R

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

Q

Q

R

R

K

K

T

T

H

H

F

F

E

E

N

N

C

C

binding fe (iii) ion: Y108 (= Y109), H160 (= H161), H162 (= H163)

3mv4M Axial ligand swapping in double mutant maintains intradiol-cleavage chemistry in protocatechuate 3,4-dioxygenase
89% identity, 98% coverage: 5:239/239 of query aligns to 4:238/238 of 3mv4M

query
sites
3mv4M

D

D

S

N

S

S

R

R

F

F

V

V

I

I

R

R

D

D

R

R

N

N

W

W

H

H

P

P

K

K

A

A

L

L

T

T

P

P

D

D

Y

Y

K

K

T

T

S

S

V

I

A

A

R

R

S

S

P

P

R

R

Q

Q

A

A

L

L

V

V

S

S

I

I

P

P

Q

Q

S

S

A

I

S

S

E

E

T

T

S

T

G

G

P

P

D

N

F

F

S

S

H

H

L

L

K

G

M

F

G

G

R

A

F

H

D

D

N

H

D

D

L

L

L

L

L

L

N

N

F

F

N

N

N

N

G

G

G

G

L

L

P

P

V

I

G

G

E

E

R

R

I

I

I

I

V

V

S

A

G

G

R

R

V

V

C

V

D

D

Q

Q

Y

Y

G

G

K

K

P

P

I

V

P

P

H

N

T

T

L

L

V

V

E

E

M

M

W

W

Q

Q

A

A

N

N

A

A

G

G

G

G

R

R

Y
|
Y

R

R

H

H

K

K

N

N

D

D

R

R

Y

Y

L

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

G

G

G

G

V

V

G

G

R

R

A

C

L

L

T

T

D

D

R

S

D

D

G

G

Y

Y

Y

Y

S

S

F

F

R

R

T

T

I

I

K

K

P

P

G

G

P

P

Y
x
H

P

P

W

W

R

R

N

N

G

G

P

P

N

N

E

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
x
Y

F

F

S

G

I

I

S

S

G

G

P

P

S

S

I

I

A

A

S

T

R

K

L

L

I

I

T

T

Q

Q

L

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

P

P

M

M

C

C

P

P

I

I

V

V

K

K

S

S

I

I

A

A

N

N

P

P

E

E

A

A

V

V

Q

Q

S

Q

L

L

I

I

A

A

R

K

L

L

D

D

M

M

G

N

N

N

A

A

N

N

P

P

M

M

D

D

C

C

L

L

A

A

Y

Y

R

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

Q

Q

R

R

K

K

T

T

H

H

F

F

E

E

N

N

C

C

binding carbonate ion: Y108 (= Y109), H147 (≠ Y148), R157 (= R158), Y162 (≠ H163)
binding fe (iii) ion: Y108 (= Y109), H147 (≠ Y148), H160 (= H161), Y162 (≠ H163)

3mi5M Axial ligand swapping in double mutant maintains intradiol-cleavage chemistry in protocatechuate 3,4-dioxygenase
89% identity, 98% coverage: 5:239/239 of query aligns to 4:238/238 of 3mi5M

query
sites
3mi5M

D

D

S

N

S

S

R

R

F

F

V

V

I

I

R

R

D

D

R

R

N

N

W

W

H

H

P

P

K

K

A

A

L

L

T

T

P

P

D

D

Y

Y

K

K

T

T

S

S

V

I

A

A

R

R

S

S

P

P

R

R

Q

Q

A

A

L

L

V

V

S

S

I

I

P

P

Q

Q

S

S

A

I

S

S

E

E

T

T

S

T

G

G

P

P

D

N

F

F

S

S

H

H

L

L

K

G

M

F

G

G

R

A

F

H

D

D

N

H

D

D

L

L

L

L

L

L

N

N

F

F

N

N

N

N

G

G

G

G

L

L

P

P

V

I

G

G

E

E

R

R

I

I

I

I

V

V

S

A

G

G

R

R

V

V

C

V

D

D

Q

Q

Y

Y

G

G

K

K

P

P

I

V

P

P

H

N

T

T

L

L

V

V

E

E

M

M

W

W

Q

Q

A

A

N

N

A

A

G

G

G

G

R

R

Y
|
Y

R

R

H

H

K

K

N

N

D

D

R

R

Y

Y

L

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

G

G

G

G

V

V

G

G

R

R

A

C

L

L

T

T

D

D

R

S

D

D

G

G

Y

Y

Y

Y

S

S

F

F

R

R

T

T

I

I

K

K

P

P

G

G

P

P

Y
x
H

P

P

W
|
W

R

R

N

N

G

G

P

P

N

N

E

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
x
Y

F

F

S

G

I

I

S

S

G

G

P

P

S

S

I

I

A

A

S

T

R

K

L

L

I

I

T

T

Q

Q

L

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

P

P

M

M

C

C

P

P

I

I

V

V

K

K

S

S

I

I

A

A

N

N

P

P

E

E

A

A

V

V

Q

Q

S

Q

L

L

I

I

A

A

R

K

L

L

D

D

M

M

G

N

N

N

A

A

N

N

P

P

M

M

D

D

C

C

L

L

A

A

Y

Y

R

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

Q

Q

R

R

K

K

T

T

H

H

F

F

E

E

N

N

C

C

binding catechol: Y108 (= Y109), H147 (≠ Y148), W149 (= W150), R157 (= R158), H160 (= H161), Y162 (≠ H163)
binding fe (iii) ion: Y108 (= Y109), H160 (= H161), Y162 (≠ H163)

3mflM Axial ligand swapping in double mutant maintains intradiol-cleavage chemistry in protocatechuate 3,4-dioxygenase
89% identity, 98% coverage: 5:239/239 of query aligns to 4:238/238 of 3mflM

query
sites
3mflM

D

D

S

N

S

S

R

R

F

F

V

V

I

I

R

R

D

D

R

R

N

N

W

W

H

H

P

P

K

K

A

A

L

L

T

T

P

P

D

D

Y

Y

K

K

T

T

S

S

V

I

A

A

R

R

S

S

P

P

R

R

Q

Q

A

A

L

L

V

V

S

S

I

I

P

P

Q

Q

S

S

A

I

S

S

E

E

T

T

S

T

G

G

P

P

D

N

F

F

S

S

H

H

L

L

K

G

M

F

G

G

R

A

F

H

D

D

N

H

D

D

L

L

L

L

L

L

N

N

F

F

N

N

N

N

G

G

G

G

L

L

P

P

V

I

G

G

E

E

R

R

I

I

I

I

V

V

S

A

G

G

R

R

V

V

C

V

D

D

Q

Q

Y

Y

G

G

K

K

P

P

I

V

P

P

H

N

T

T

L

L

V

V

E

E

M

M

W

W

Q

Q

A

A

N

N

A

A

G

G

G

G

R

R

Y
|
Y

R

R

H

H

K

K

N

N

D

D

R

R

Y

Y

L

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

G

G

G

G

V

V

G

G

R

R

A

C

L

L

T

T

D

D

R

S

D

D

G

G

Y

Y

Y

Y

S

S

F

F

R

R

T

T

I

I

K

K

P

P

G

G

P

P

Y
x
H

P

P

W
|
W

R

R

N

N

G

G

P

P

N

N

E

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
x
Y

F

F

S

G

I

I

S

S

G

G

P

P

S

S

I

I

A

A

S

T

R

K

L

L

I

I

T

T

Q

Q

L

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

P

P

M

M

C

C

P

P

I

I

V

V

K

K

S

S

I

I

A

A

N

N

P

P

E

E

A

A

V

V

Q

Q

S

Q

L

L

I

I

A

A

R

K

L

L

D

D

M

M

G

N

N

N

A

A

N

N

P

P

M

M

D

D

C

C

L

L

A

A

Y

Y

R

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

Q

Q

R

R

K

K

T

T

H

H

F

F

E

E

N

N

C

C

binding 2-(3,4-dihydroxyphenyl)acetic acid: Y108 (= Y109), H147 (≠ Y148), W149 (= W150), R157 (= R158), H160 (= H161), Y162 (≠ H163)
binding fe (iii) ion: Y108 (= Y109), H160 (= H161), Y162 (≠ H163)

4whqF Alkylperoxo reaction intermediate trapped in protocatechuate 3,4- dioxygenase (pseudomonas putida) at ph 6.5 (see paper)
90% identity, 97% coverage: 5:237/239 of query aligns to 4:236/236 of 4whqF

query
sites
4whqF

D

D

S

N

S

S

R

R

F

F

V

V

I

I

R

R

D

D

R

R

N

N

W

W

H

H

P

P

K

K

A

A

L

L

T

T

P

P

D

D

Y

Y

K

K

T

T

S

S

V

I

A

A

R

R

S

S

P

P

R

R

Q

Q

A

A

L

L

V

V

S
|
S

I
|
I

P
|
P

Q

Q

S

S

A

I

S

S

E

E

T

T

S

T

G

G

P

P

D

N

F

F

S

S

H

H

L

L

K

G

M

F

G

G

R

A

F

H

D

D

N

H

D

D

L

L

L

L

L

L

N
|
N

F

F

N

N

N

N

G

G

G

G

L

L

P

P

V

I

G

G

E

E

R

R

I

I

I

I

V

V

S

A

G

G

R

R

V

V

C

V

D

D

Q

Q

Y

Y

G

G

K

K

P

P

I

V

P

P

H

N

T

T

L

L

V

V

E

E

M

M

W

W

Q

Q

A

A

N

N

A

A

G

G

G

G

R

R

Y
|
Y

R
|
R

H
|
H

K

K

N

N

D

D

R

R

Y

Y

L

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

G
|
G

G

G

V
|
V

G

G

R

R

A

C

L

L

T

T

D

D

R

S

D

D

G

G

Y

Y

Y

Y

S

S

F

F

R

R

T

T

I

I

K

K

P

P

G

G

P

P

Y
|
Y

P

P

W

W

R

R

N

N

G

G

P

P

N

N

E

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

I

I

S

S

G

G

P

P

S

S

I

I

A

A

S

T

R

K

L

L

I

I

T

T

Q

Q

L

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

P

P

M

M

C

C

P

P

I

I

V

V

K
|
K

S

S

I
|
I

A
|
A

N

N

P

P

E

E

A

A

V
|
V

Q

Q

S

Q

L

L

I

I

A

A

R

K

L

L

D

D

M

M

G

N

N

N

A

A

N

N

P

P

M

M

D

D

C

C

L

L

A

A

Y

Y

R

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

Q

Q

R

R

K

K

T

T

H

H

F

F

E

E

active site: Y108 (= Y109), Y147 (= Y148), R157 (= R158), H160 (= H161), H162 (= H163)
binding 4-fluorobenzene-1,2-diol: S38 (= S39), I39 (= I40), P40 (= P41), N66 (= N67), G124 (= G125), V126 (= V127), K193 (= K194), I195 (= I196), A196 (= A197), V201 (= V202)
binding bicarbonate ion: R109 (= R110), H110 (= H111)
binding fe (iii) ion: Y108 (= Y109), H160 (= H161), H162 (= H163)

3pckM Structure of protocatechuate 3,4-dioxygenase complexed with 6- hydroxynicotinic acid n-oxide (see paper)
88% identity, 97% coverage: 5:237/239 of query aligns to 4:233/233 of 3pckM

query
sites
3pckM

D

D

S

N

S

S

R

R

F

F

V

V

I

I

R

R

D

D

R

R

N

N

W

W

H

H

P

P

K

K

A

A

L

L

T

T

P

P

D

D

Y
|
Y

K

K

T

T

S

S

V

I

A

A

R

R

S

S

P

P

R

R

Q

Q

A

A

L

L

V

V

S

S

I

I

P

P

Q

Q

S

S

A

I

S

S

E

E

T

T

S

T

G

G

P

P

D

N

F

F

S

S

H

H

L

L

K

G

M

F

G

G

R

A

F

H

D

D

N

H

D

D

L

L

L

L

L

L

N

N

F

F

N

-

N

-

G

-

G

G

L

L

P

P

V

I

G

G

E

E

R

R

I

I

I

I

V

V

S

A

G

G

R

R

V

V

C

V

D

D

Q

Q

Y

Y

G

G

K

K

P

P

I

V

P

P

H

N

T

T

L

L

V

V

E

E

M

M

W

W

Q

Q

A

A

N

N

A

A

G

G

G

G

R

R

Y
|
Y

R

R

H

H

K

K

N

N

D

D

R

R

Y

Y

L

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

G

G

G

G

V

V

G

G

R

R

A

C

L

L

T

T

D

D

R

S

D

D

G

G

Y

Y

Y

Y

S

S

F

F

R

R

T

T

I

I

K

K

P

P

G

G

P

P

Y
|
Y

P

P

W
|
W

R

R

N

N

G

G

P

P

N

N

E

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

I

I

S

S

G

G

P

P

S

S

I

I

A

A

S

T

R

K

L

L

I

I

T

T

Q

Q

L

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

P

P

M

M

C

C

P

P

I
|
I

V

V

K

K

S

S

I

I

A

A

N

N

P

P

E

E

A

A

V

V

Q

Q

S

Q

L

L

I

I

A

A

R

K

L

L

D

D

M

M

G

N

N

N

A

A

N

N

P

P

M

M

D

D

C

C

L

L

A

A

Y

Y

R

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

Q

Q

R

R

K

K

T

T

H

H

F

F

E

E

active site: Y105 (= Y109), Y144 (= Y148), R154 (= R158), H157 (= H161), H159 (= H163)
binding fe (iii) ion: Y105 (= Y109), H157 (= H161), H159 (= H163)
binding 6-hydroxyisonicotinic acid n-oxide: Y24 (= Y25), Y105 (= Y109), W146 (= W150), R154 (= R158), H157 (= H161), H159 (= H163), I188 (= I192)

3pcjM Structure of protocatechuate 3,4-dioxygenase complexed with 2- hydroxyisonicotinic acid n-oxide (see paper)
88% identity, 97% coverage: 5:237/239 of query aligns to 4:233/233 of 3pcjM

query
sites
3pcjM

D

D

S

N

S

S

R

R

F

F

V

V

I

I

R

R

D

D

R

R

N

N

W

W

H

H

P

P

K

K

A

A

L

L

T

T

P

P

D

D

Y
|
Y

K

K

T

T

S

S

V

I

A

A

R

R

S

S

P

P

R

R

Q

Q

A

A

L

L

V

V

S

S

I

I

P

P

Q

Q

S

S

A

I

S

S

E

E

T

T

S

T

G

G

P

P

D

N

F

F

S

S

H

H

L

L

K

G

M

F

G

G

R

A

F

H

D

D

N

H

D

D

L

L

L

L

L

L

N

N

F

F

N

-

N

-

G

-

G

G

L

L

P

P

V

I

G

G

E

E

R

R

I

I

I

I

V

V

S

A

G

G

R

R

V

V

C

V

D

D

Q

Q

Y

Y

G

G

K

K

P

P

I

V

P

P

H

N

T

T

L

L

V

V

E

E

M

M

W

W

Q

Q

A

A

N

N

A

A

G

G

G

G

R

R

Y
|
Y

R

R

H

H

K

K

N

N

D

D

R

R

Y

Y

L

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

G

G

G

G

V

V

G

G

R

R

A

C

L

L

T

T

D

D

R

S

D

D

G

G

Y

Y

Y

Y

S

S

F

F

R

R

T

T

I

I

K

K

P

P

G

G

P

P

Y
|
Y

P

P

W
|
W

R

R

N

N

G

G

P

P

N

N

E

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

I

I

S

S

G

G

P

P

S

S

I

I

A

A

S

T

R

K

L

L

I

I

T

T

Q

Q

L

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

P

P

M

M

C

C

P

P

I

I

V

V

K

K

S

S

I

I

A

A

N

N

P

P

E

E

A

A

V

V

Q

Q

S

Q

L

L

I

I

A

A

R

K

L

L

D

D

M

M

G

N

N

N

A

A

N

N

P

P

M

M

D

D

C

C

L

L

A

A

Y

Y

R

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

Q

Q

R

R

K

K

T

T

H

H

F

F

E

E

active site: Y105 (= Y109), Y144 (= Y148), R154 (= R158), H157 (= H161), H159 (= H163)
binding fe (iii) ion: Y105 (= Y109), H157 (= H161), H159 (= H163)
binding 2-hydroxyisonicotinic acid n-oxide: Y24 (= Y25), Y144 (= Y148), W146 (= W150), R154 (= R158), H157 (= H161), H159 (= H163)

3pciM Structure of protocatechuate 3,4-dioxygenase complexed with 3-iodo-4- hydroxybenzoate (see paper)
88% identity, 97% coverage: 5:237/239 of query aligns to 4:233/233 of 3pciM

query
sites
3pciM

D

D

S

N

S

S

R

R

F

F

V

V

I

I

R

R

D

D

R

R

N

N

W

W

H

H

P

P

K

K

A

A

L

L

T

T

P

P

D

D

Y

Y

K

K

T

T

S

S

V

I

A

A

R

R

S

S

P

P

R

R

Q

Q

A

A

L

L

V

V

S

S

I

I

P

P

Q

Q

S

S

A

I

S

S

E

E

T

T

S

T

G

G

P

P

D

N

F

F

S

S

H

H

L

L

K

G

M

F

G

G

R

A

F

H

D

D

N

H

D

D

L

L

L

L

L

L

N

N

F

F

N

-

N

-

G

-

G

G

L

L

P

P

V

I

G

G

E

E

R

R

I

I

I

I

V

V

S

A

G

G

R

R

V

V

C

V

D

D

Q

Q

Y

Y

G

G

K

K

P

P

I

V

P

P

H

N

T

T

L

L

V

V

E

E

M

M

W

W

Q

Q

A

A

N

N

A

A

G

G

G

G

R

R

Y
|
Y

R

R

H

H

K

K

N

N

D

D

R

R

Y

Y

L

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

G

G

G

G

V

V

G

G

R

R

A

C

L

L

T

T

D

D

R

S

D

D

G

G

Y

Y

Y

Y

S

S

F

F

R

R

T

T

I

I

K

K

P

P

G

G

P

P

Y
|
Y

P

P

W

W

R

R

N

N

G

G

P

P

N

N

E

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

I

I

S

S

G

G

P

P

S

S

I

I

A

A

S

T

R

K

L

L

I

I

T

T

Q

Q

L

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

P

P

M

M

C

C

P

P

I

I

V

V

K

K

S

S

I

I

A

A

N

N

P

P

E

E

A

A

V

V

Q

Q

S

Q

L

L

I

I

A

A

R

K

L

L

D

D

M

M

G

N

N

N

A

A

N

N

P

P

M

M

D

D

C

C

L

L

A

A

Y

Y

R

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

Q

Q

R

R

K

K

T

T

H

H

F

F

E

E

active site: Y105 (= Y109), Y144 (= Y148), R154 (= R158), H157 (= H161), H159 (= H163)
binding fe (iii) ion: Y105 (= Y109), Y144 (= Y148), H157 (= H161), H159 (= H163)
binding 3-iodo-4-hydroxybenzoic acid: Y105 (= Y109), Y144 (= Y148), H159 (= H163)

3pchM Structure of protocatechuate 3,4-dioxygenase complexed with 3-chloro- 4-hydroxybenzoate (see paper)
88% identity, 97% coverage: 5:237/239 of query aligns to 4:233/233 of 3pchM

query
sites
3pchM

D

D

S

N

S

S

R

R

F

F

V

V

I

I

R

R

D

D

R

R

N

N

W

W

H

H

P

P

K

K

A

A

L

L

T

T

P

P

D

D

Y
|
Y

K

K

T

T

S

S

V

I

A

A

R

R

S

S

P

P

R

R

Q

Q

A

A

L

L

V

V

S

S

I

I

P

P

Q

Q

S

S

A

I

S

S

E

E

T

T

S

T

G

G

P

P

D

N

F

F

S

S

H

H

L

L

K

G

M

F

G

G

R

A

F

H

D

D

N

H

D

D

L

L

L

L

L

L

N

N

F

F

N

-

N

-

G

-

G

G

L

L

P

P

V

I

G

G

E

E

R

R

I

I

I

I

V

V

S

A

G

G

R

R

V

V

C

V

D

D

Q

Q

Y

Y

G

G

K

K

P

P

I

V

P

P

H

N

T

T

L

L

V

V

E

E

M

M

W

W

Q

Q

A

A

N

N

A

A

G

G

G

G

R

R

Y
|
Y

R

R

H

H

K

K

N

N

D

D

R

R

Y

Y

L

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

G

G

G

G

V

V

G

G

R

R

A

C

L

L

T

T

D

D

R

S

D

D

G

G

Y

Y

Y

Y

S

S

F

F

R

R

T

T

I

I

K

K

P

P

G

G

P

P

Y
|
Y

P

P

W
|
W

R

R

N

N

G

G

P

P

N

N

E

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

I

I

S

S

G

G

P

P

S

S

I

I

A

A

S

T

R

K

L

L

I

I

T

T

Q
|
Q

L

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

P

P

M

M

C

C

P

P

I
|
I

V

V

K

K

S

S

I

I

A

A

N

N

P

P

E

E

A

A

V

V

Q

Q

S

Q

L

L

I

I

A

A

R

K

L

L

D

D

M

M

G

N

N

N

A

A

N

N

P

P

M

M

D

D

C

C

L

L

A

A

Y

Y

R

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

Q

Q

R

R

K

K

T

T

H

H

F

F

E

E

active site: Y105 (= Y109), Y144 (= Y148), R154 (= R158), H157 (= H161), H159 (= H163)
binding 3-chloro-4-hydroxybenzoic acid: Y24 (= Y25), Y144 (= Y148), W146 (= W150), R154 (= R158), H157 (= H161), H159 (= H163), Q174 (= Q178), I188 (= I192)
binding fe (iii) ion: Y105 (= Y109), Y144 (= Y148), H157 (= H161), H159 (= H163)

3pcgM Structure of protocatechuate 3,4-dioxygenase complexed with the inhibitor 4-hydroxyphenylacetate (see paper)
88% identity, 97% coverage: 5:237/239 of query aligns to 4:233/233 of 3pcgM

query
sites
3pcgM

D

D

S

N

S

S

R

R

F

F

V

V

I

I

R

R

D

D

R

R

N

N

W

W

H

H

P

P

K

K

A

A

L

L

T

T

P

P

D

D

Y
|
Y

K

K

T

T

S

S

V

I

A

A

R

R

S

S

P

P

R

R

Q

Q

A

A

L

L

V

V

S

S

I

I

P

P

Q

Q

S

S

A

I

S

S

E

E

T

T

S

T

G

G

P

P

D

N

F

F

S

S

H

H

L

L

K

G

M

F

G

G

R

A

F

H

D

D

N

H

D

D

L

L

L

L

L

L

N

N

F

F

N

-

N

-

G

-

G

G

L

L

P

P

V

I

G

G

E

E

R

R

I

I

I

I

V

V

S

A

G

G

R

R

V

V

C

V

D

D

Q

Q

Y

Y

G

G

K

K

P

P

I

V

P

P

H

N

T

T

L

L

V

V

E

E

M

M

W

W

Q

Q

A

A

N

N

A

A

G

G

G

G

R

R

Y
|
Y

R

R

H

H

K

K

N

N

D

D

R

R

Y

Y

L

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

G

G

G

G

V

V

G

G

R

R

A

C

L

L

T

T

D

D

R

S

D

D

G

G

Y

Y

Y

Y

S

S

F

F

R

R

T

T

I

I

K

K

P

P

G

G

P

P

Y
|
Y

P

P

W
|
W

R

R

N

N

G

G

P

P

N

N

E

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

I

I

S

S

G

G

P

P

S

S

I

I

A

A

S

T

R

K

L

L

I

I

T

T

Q

Q

L

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

P

P

M

M

C

C

P

P

I
|
I

V

V

K

K

S

S

I

I

A

A

N

N

P

P

E

E

A

A

V

V

Q

Q

S

Q

L

L

I

I

A

A

R

K

L

L

D

D

M

M

G

N

N

N

A

A

N

N

P

P

M

M

D

D

C

C

L

L

A

A

Y

Y

R

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

Q

Q

R

R

K

K

T

T

H

H

F

F

E

E

active site: Y105 (= Y109), Y144 (= Y148), R154 (= R158), H157 (= H161), H159 (= H163)
binding 4-hydroxyphenylacetate: Y24 (= Y25), Y105 (= Y109), Y144 (= Y148), W146 (= W150), R154 (= R158), H159 (= H163), I188 (= I192)
binding fe (iii) ion: Y105 (= Y109), Y144 (= Y148), H157 (= H161), H159 (= H163)

3pcfM Structure of protocatechuate 3,4-dioxygenase complexed with 3-fluro-4- hydroxybenzoate (see paper)
88% identity, 97% coverage: 5:237/239 of query aligns to 4:233/233 of 3pcfM

query
sites
3pcfM

D

D

S

N

S

S

R

R

F

F

V

V

I

I

R

R

D

D

R

R

N

N

W

W

H

H

P

P

K

K

A

A

L

L

T

T

P
|
P

D

D

Y
|
Y

K

K

T

T

S

S

V
x
I

A

A

R

R

S

S

P

P

R

R

Q

Q

A

A

L

L

V

V

S

S

I

I

P

P

Q

Q

S

S

A

I

S

S

E

E

T

T

S

T

G

G

P

P

D

N

F

F

S

S

H

H

L

L

K

G

M

F

G

G

R

A

F

H

D

D

N

H

D

D

L

L

L

L

L

L

N

N

F

F

N

-

N

-

G

-

G

G

L

L

P

P

V

I

G

G

E

E

R

R

I

I

I

I

V

V

S

A

G

G

R

R

V

V

C

V

D

D

Q

Q

Y

Y

G

G

K

K

P

P

I

V

P

P

H

N

T

T

L

L

V

V

E

E

M

M

W

W

Q

Q

A

A

N

N

A

A

G

G

G

G

R

R

Y
|
Y

R

R

H

H

K

K

N

N

D

D

R

R

Y

Y

L

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

G

G

G

G

V

V

G

G

R

R

A

C

L

L

T

T

D

D

R

S

D

D

G

G

Y

Y

Y

Y

S

S

F

F

R

R

T

T

I

I

K

K

P

P

G

G

P

P

Y
|
Y

P

P

W
|
W

R

R

N

N

G

G

P

P

N

N

E

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

I

I

S

S

G

G

P

P

S

S

I

I

A

A

S

T

R

K

L

L

I

I

T

T

Q

Q

L

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

P

P

M

M

C

C

P

P

I
|
I

V

V

K

K

S

S

I

I

A

A

N

N

P

P

E

E

A

A

V

V

Q

Q

S

Q

L

L

I

I

A

A

R

K

L

L

D

D

M

M

G

N

N

N

A

A

N

N

P

P

M

M

D

D

C

C

L

L

A

A

Y

Y

R

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

Q

Q

R

R

K

K

T

T

H

H

F

F

E

E

active site: Y105 (= Y109), Y144 (= Y148), R154 (= R158), H157 (= H161), H159 (= H163)
binding fe (iii) ion: Y105 (= Y109), Y144 (= Y148), H157 (= H161), H159 (= H163)
binding 3-fluoro-4-hydroxybenzoic acid: P22 (= P23), Y24 (= Y25), I28 (≠ V29), Y144 (= Y148), W146 (= W150), R154 (= R158), H157 (= H161), H159 (= H163), I188 (= I192)

3pceM Structure of protocatechuate 3,4-dioxygenase complexed with 3- hydroxyphenylacetate (see paper)
88% identity, 97% coverage: 5:237/239 of query aligns to 4:233/233 of 3pceM

query
sites
3pceM

D

D

S

N

S

S

R

R

F

F

V

V

I

I

R

R

D

D

R

R

N

N

W

W

H

H

P

P

K

K

A

A

L

L

T

T

P

P

D

D

Y

Y

K

K

T

T

S

S

V

I

A

A

R

R

S

S

P

P

R

R

Q

Q

A

A

L

L

V

V

S

S

I

I

P

P

Q

Q

S

S

A

I

S

S

E

E

T

T

S

T

G

G

P

P

D

N

F

F

S

S

H

H

L

L

K

G

M

F

G

G

R

A

F

H

D

D

N

H

D

D

L

L

L

L

L

L

N

N

F

F

N

-

N

-

G

-

G

G

L

L

P

P

V

I

G

G

E

E

R

R

I

I

I

I

V

V

S

A

G

G

R

R

V

V

C

V

D

D

Q

Q

Y

Y

G

G

K

K

P

P

I

V

P

P

H

N

T

T

L

L

V

V

E

E

M

M

W

W

Q

Q

A

A

N

N

A

A

G

G

G

G

R

R

Y
|
Y

R

R

H

H

K

K

N

N

D

D

R

R

Y

Y

L

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

G

G

G

G

V

V

G

G

R

R

A

C

L

L

T

T

D

D

R

S

D

D

G

G

Y

Y

Y

Y

S

S

F

F

R

R

T

T

I

I

K

K

P

P

G

G

P

P

Y
|
Y

P

P

W
|
W

R

R

N

N

G

G

P

P

N

N

E

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

I

I

S

S

G

G

P

P

S

S

I

I

A

A

S

T

R

K

L

L

I

I

T

T

Q

Q

L

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

P

P

M

M

C

C

P

P

I
|
I

V

V

K

K

S

S

I

I

A

A

N

N

P

P

E

E

A

A

V

V

Q

Q

S

Q

L

L

I

I

A

A

R

K

L

L

D

D

M

M

G

N

N

N

A

A

N

N

P

P

M

M

D

D

C

C

L

L

A

A

Y

Y

R

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

Q

Q

R

R

K

K

T

T

H

H

F

F

E

E

active site: Y105 (= Y109), Y144 (= Y148), R154 (= R158), H157 (= H161), H159 (= H163)
binding 3-hydroxyphenylacetate: Y105 (= Y109), Y144 (= Y148), W146 (= W150), R154 (= R158), H159 (= H163), I188 (= I192)
binding fe (iii) ion: Y105 (= Y109), Y144 (= Y148), H157 (= H161), H159 (= H163)

3pcbM Structure of protocatechuate 3,4-dioxygenase complexed with 3- hydroxybenzoate (see paper)
88% identity, 97% coverage: 5:237/239 of query aligns to 4:233/233 of 3pcbM

query
sites
3pcbM

D

D

S

N

S

S

R

R

F

F

V

V

I

I

R

R

D

D

R

R

N

N

W

W

H

H

P

P

K

K

A

A

L

L

T

T

P

P

D

D

Y
|
Y

K

K

T

T

S

S

V

I

A

A

R

R

S

S

P

P

R

R

Q

Q

A

A

L

L

V

V

S

S

I

I

P

P

Q

Q

S

S

A

I

S

S

E

E

T

T

S

T

G

G

P

P

D

N

F

F

S

S

H

H

L

L

K

G

M

F

G

G

R

A

F

H

D

D

N

H

D

D

L

L

L

L

L

L

N

N

F

F

N

-

N

-

G

-

G

G

L

L

P

P

V

I

G

G

E

E

R

R

I

I

I

I

V

V

S

A

G

G

R

R

V

V

C

V

D

D

Q

Q

Y

Y

G

G

K

K

P

P

I

V

P

P

H

N

T

T

L

L

V

V

E

E

M

M

W

W

Q

Q

A

A

N

N

A

A

G

G

G

G

R

R

Y
|
Y

R

R

H

H

K

K

N

N

D

D

R

R

Y

Y

L

L

A

A

P

P

L

L

D

D

P

P

N

N

F

F

G

G

G

G

V

V

G

G

R

R

A

C

L

L

T

T

D

D

R

S

D

D

G

G

Y

Y

Y

Y

S

S

F

F

R

R

T

T

I

I

K

K

P

P

G

G

P

P

Y
|
Y

P

P

W
|
W

R

R

N

N

G

G

P

P

N

N

E

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

I

I

S

S

G

G

P

P

S

S

I

I

A

A

S

T

R

K

L

L

I

I

T

T

Q

Q

L

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

P

P

M

M

C

C

P

P

I
|
I

V

V

K

K

S

S

I

I

A

A

N

N

P

P

E

E

A

A

V

V

Q

Q

S

Q

L

L

I

I

A

A

R

K

L

L

D

D

M

M

G

N

N

N

A

A

N

N

P

P

M

M

D

D

C

C

L

L

A

A

Y

Y

R

R

F

F

D

D

I

I

V

V

L

L

R

R

G

G

Q

Q

R

R

K

K

T

T

H

H

F

F

E

E

active site: Y105 (= Y109), Y144 (= Y148), R154 (= R158), H157 (= H161), H159 (= H163)
binding 3-hydroxybenzoic acid: Y24 (= Y25), Y144 (= Y148), W146 (= W150), R154 (= R158), I188 (= I192)
binding fe (iii) ion: Y105 (= Y109), Y144 (= Y148), H157 (= H161), H159 (= H163)

2buqB Crystal structure of wild-type protocatechuate 3,4-dioxygenase from acinetobacter sp. Adp1 in complex with catechol (see paper)
58% identity, 96% coverage: 9:238/239 of query aligns to 6:235/238 of 2buqB

query
sites
2buqB

F

Y

V

A

I

Q

R

R

D

N

R

T

N

E

W

D

H

H

P

P

K

P

A

A

L

Y

T

A

P

P

D

G

Y

Y

K

K

T

T

S

S

V

V

A

L

R

R

S

S

P

P

R

K

Q

N

A

A

L

L

V

I

S

S

I

I

P

A

Q

E

S

T

A

L

S

S

E

E

T

V

S

T

G

A

P

P

D

H

F

F

S

S

H

A

L

D

K

K

M

F

G

G

R

P

F

K

D

D

N

N

D

D

L

L

L

I

L

L

N

N

F

Y

N

A

N

K

G

D

G

G

L

L

P

P

V

I

G

G

E

E

R

R

I

V

I

I

V

V

S

H

G

G

R

Y

V

V

C

R

D

D

Q

Q

Y

F

G

G

K

R

P

P

I

V

P

K

H

N

T

A

L

L

V

V

E

E

M

V

W

W

Q

Q

A

A

N

N

A

A

G

S

G

G

R

R

Y
|
Y

R

R

H

H

K

P

N

N

D

D

R

Q

Y

Y

L

I

A

G

P

A

L

M

D

D

P

P

N

N

F

F

G

G

G

G

V

C

G

G

R

R

A

M

L

L

T

T

D

D

R

D

D

N

G

G

Y

Y

Y

Y

S

V

F

F

R

R

T

T

I

I

K

K

P

P

G

G

P

P

Y
|
Y

P

P

W

W

R

R

N

N

G

R

P

I

N

N

E

E

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

S

I

L

S

I

G

A

P

D

S

G

I

W

A

A

S

Q

R

R

L

L

I

I

T

S

Q

Q

L

F

Y

Y

F

F

E

E

G

G

D

D

P

T

L

L

I

I

P

D

M

S

C

C

P

P

I

I

V

L

K

K

S

T

I

I

A

P

N

S

P

E

E

Q

A

Q

V

R

Q

R

S

A

L

L

I

I

A

A

R

L

L

E

D

D

M

K

G

S

N

N

A

F

N

I

P

E

M

A

D

D

C

S

L

R

A

C

Y

Y

R

R

F

F

D

D

I

I

V

T

L

L

R

R

G

G

Q

R

R

R

K

A

T

T

H

Y

F

F

E

E

N

N

active site: Y106 (= Y109), Y145 (= Y148), R155 (= R158), H158 (= H161), H160 (= H163)
binding catechol: Y106 (= Y109), R155 (= R158), H158 (= H161)
binding fe (iii) ion: Y106 (= Y109), H158 (= H161), H160 (= H163)

2bumB Crystal structure of wild-type protocatechuate 3,4-dioxygenase from acinetobacter sp. Adp1 (see paper)
58% identity, 96% coverage: 9:238/239 of query aligns to 6:235/238 of 2bumB

query
sites
2bumB

F

Y

V

A

I

Q

R

R

D

N

R

T

N

E

W

D

H

H

P

P

K

P

A

A

L

Y

T

A

P

P

D

G

Y

Y

K

K

T

T

S

S

V

V

A

L

R

R

S

S

P

P

R

K

Q

N

A

A

L

L

V

I

S

S

I

I

P

A

Q

E

S

T

A

L

S

S

E

E

T

V

S

T

G

A

P

P

D

H

F

F

S

S

H

A

L

D

K

K

M

F

G

G

R

P

F

K

D

D

N

N

D

D

L

L

L

I

L

L

N

N

F

Y

N

A

N

K

G

D

G

G

L

L

P

P

V

I

G

G

E

E

R

R

I

V

I

I

V

V

S

H

G

G

R

Y

V

V

C

R

D

D

Q

Q

Y

F

G

G

K

R

P

P

I

V

P

K

H

N

T

A

L

L

V

V

E

E

M

V

W

W

Q

Q

A

A

N

N

A

A

G

S

G

G

R

R

Y
|
Y

R

R

H

H

K

P

N

N

D

D

R

Q

Y

Y

L

I

A

G

P

A

L

M

D

D

P

P

N

N

F

F

G

G

G

G

V

C

G

G

R

R

A

M

L

L

T

T

D

D

R

D

D

N

G

G

Y

Y

Y

Y

S

V

F

F

R

R

T

T

I

I

K

K

P

P

G

G

P

P

Y
|
Y

P

P

W

W

R

R

N

N

G

R

P

I

N

N

E

E

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

S

I

L

S

I

G

A

P

D

S

G

I

W

A

A

S

Q

R

R

L

L

I

I

T

S

Q

Q

L

F

Y

Y

F

F

E

E

G

G

D

D

P

T

L

L

I

I

P

D

M

S

C

C

P

P

I

I

V

L

K

K

S

T

I

I

A

P

N

S

P

E

E

Q

A

Q

V

R

Q

R

S

A

L

L

I

I

A

A

R

L

L

E

D

D

M

K

G

S

N

N

A

F

N

I

P

E

M

A

D

D

C

S

L

R

A

C

Y

Y

R

R

F

F

D

D

I

I

V

T

L

L

R

R

G

G

Q

R

R

R

K

A

T

T

H

Y

F

F

E

E

N

N

active site: Y106 (= Y109), Y145 (= Y148), R155 (= R158), H158 (= H161), H160 (= H163)
binding fe (iii) ion: Y106 (= Y109), Y145 (= Y148), H158 (= H161), H160 (= H163)

1eocB Crystal structure of acinetobacter sp. Adp1 protocatechuate 3,4- dioxygenase in complex with 4-nitrocatechol (see paper)
58% identity, 96% coverage: 9:238/239 of query aligns to 6:235/238 of 1eocB

query
sites
1eocB

F

Y

V

A

I

Q

R

R

D

N

R

T

N

E

W

D

H

H

P

P

K

P

A

A

L

Y

T

A

P

P

D

G

Y
|
Y

K

K

T

T

S

S

V

V

A

L

R

R

S

S

P

P

R

K

Q

N

A

A

L

L

V

I

S

S

I

I

P

A

Q

E

S

T

A

L

S

S

E

E

T

V

S

T

G

A

P

P

D

H

F

F

S

S

H

A

L

D

K

K

M

F

G

G

R

P

F

K

D

D

N

N

D

D

L

L

L

I

L

L

N

N

F

Y

N

A

N

K

G

D

G

G

L

L

P

P

V

I

G

G

E

E

R

R

I

V

I

I

V

V

S

H

G

G

R

Y

V

V

C

R

D

D

Q

Q

Y

F

G

G

K

R

P

P

I

V

P

K

H

N

T

A

L

L

V

V

E

E

M

V

W

W

Q

Q

A

A

N

N

A

A

G

S

G

G

R

R

Y
|
Y

R

R

H

H

K

P

N

N

D

D

R

Q

Y

Y

L

I

A

G

P

A

L

M

D

D

P

P

N

N

F

F

G

G

G

G

V

C

G

G

R

R

A

M

L

L

T

T

D

D

R

D

D

N

G

G

Y

Y

Y

Y

S

V

F

F

R

R

T

T

I

I

K

K

P

P

G

G

P

P

Y
|
Y

P

P

W
|
W

R

R

N

N

G

R

P

I

N

N

E

E

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

S

I

L

S

I

G

A

P

D

S

G

I

W

A

A

S

Q

R

R

L

L

I

I

T

S

Q

Q

L

F

Y

Y

F

F

E

E

G

G

D

D

P

T

L

L

I

I

P

D

M

S

C

C

P

P

I
|
I

V

L

K

K

S

T

I

I

A

P

N

S

P

E

E

Q

A

Q

V

R

Q

R

S

A

L

L

I

I

A

A

R

L

L

E

D

D

M

K

G

S

N

N

A

F

N

I

P

E

M

A

D

D

C

S

L

R

A

C

Y

Y

R

R

F

F

D

D

I

I

V

T

L

L

R

R

G

G

Q

R

R

R

K

A

T

T

H

Y

F

F

E

E

N

N

active site: Y106 (= Y109), Y145 (= Y148), R155 (= R158), H158 (= H161), H160 (= H163)
binding 4-nitrocatechol: Y22 (= Y25), Y106 (= Y109), W147 (= W150), R155 (= R158), H158 (= H161), H160 (= H163), I189 (= I192)
binding fe (iii) ion: Y106 (= Y109), H158 (= H161), H160 (= H163)

Query Sequence

>Pf1N1B4_5584 FitnessBrowser__pseudo1_N1B4:Pf1N1B4_5584
MSDADSSRFVIRDRNWHPKALTPDYKTSVARSPRQALVSIPQSASETSGPDFSHLKMGRF
DNDLLLNFNNGGLPVGERIIVSGRVCDQYGKPIPHTLVEMWQANAGGRYRHKNDRYLAPL
DPNFGGVGRALTDRDGYYSFRTIKPGPYPWRNGPNEWRPAHIHFSISGPSIASRLITQLY
FEGDPLIPMCPIVKSIANPEAVQSLIARLDMGNANPMDCLAYRFDIVLRGQRKTHFENC

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