SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing BWI76_RS13290 FitnessBrowser__Koxy:BWI76_RS13290 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)

2buqB Crystal structure of wild-type protocatechuate 3,4-dioxygenase from acinetobacter sp. Adp1 in complex with catechol (see paper)
71% identity, 93% coverage: 12:239/246 of query aligns to 8:235/238 of 2buqB

query
sites
2buqB

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active site: Y106 (= Y110), Y145 (= Y149), R155 (= R159), H158 (= H162), H160 (= H164)
binding catechol: Y106 (= Y110), R155 (= R159), H158 (= H162)
binding fe (iii) ion: Y106 (= Y110), H158 (= H162), H160 (= H164)

2bumB Crystal structure of wild-type protocatechuate 3,4-dioxygenase from acinetobacter sp. Adp1 (see paper)
71% identity, 93% coverage: 12:239/246 of query aligns to 8:235/238 of 2bumB

query
sites
2bumB

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active site: Y106 (= Y110), Y145 (= Y149), R155 (= R159), H158 (= H162), H160 (= H164)
binding fe (iii) ion: Y106 (= Y110), Y145 (= Y149), H158 (= H162), H160 (= H164)

1eocB Crystal structure of acinetobacter sp. Adp1 protocatechuate 3,4- dioxygenase in complex with 4-nitrocatechol (see paper)
71% identity, 93% coverage: 12:239/246 of query aligns to 8:235/238 of 1eocB

query
sites
1eocB

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active site: Y106 (= Y110), Y145 (= Y149), R155 (= R159), H158 (= H162), H160 (= H164)
binding 4-nitrocatechol: Y22 (= Y26), Y106 (= Y110), W147 (= W151), R155 (= R159), H158 (= H162), H160 (= H164), I189 (= I193)
binding fe (iii) ion: Y106 (= Y110), H158 (= H162), H160 (= H164)

1eoaB Crystal structure of acinetobacter sp. Adp1 protocatechuate 3,4- dioxygenase in complex with cyanide (see paper)
71% identity, 93% coverage: 12:239/246 of query aligns to 8:235/238 of 1eoaB

query
sites
1eoaB

H

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active site: Y106 (= Y110), Y145 (= Y149), R155 (= R159), H158 (= H162), H160 (= H164)
binding cyanide ion: Y106 (= Y110), Y106 (= Y110), Y145 (= Y149), R155 (= R159), H158 (= H162), H158 (= H162), H160 (= H164), H160 (= H164), Q175 (= Q179)
binding fe (iii) ion: Y106 (= Y110), H158 (= H162), H160 (= H164)

1eo9B Crystal structure of acinetobacter sp. Adp1 protocatechuate 3,4- dioxygenase at ph < 7.0 (see paper)
71% identity, 93% coverage: 12:239/246 of query aligns to 8:235/238 of 1eo9B

query
sites
1eo9B

H

Q

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A

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L

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L

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A

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A

F

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A

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C

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Y

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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E

N

N

active site: Y106 (= Y110), Y145 (= Y149), R155 (= R159), H158 (= H162), H160 (= H164)
binding fe (iii) ion: Y106 (= Y110), Y145 (= Y149), H158 (= H162), H160 (= H164)
binding sulfate ion: Y145 (= Y149), R155 (= R159), H158 (= H162), H160 (= H164)

P00437 Protocatechuate 3,4-dioxygenase beta chain; 3,4-PCD; EC 1.13.11.3 from Pseudomonas putida (Arthrobacter siderocapsulatus) (see 2 papers)
66% identity, 92% coverage: 13:239/246 of query aligns to 12:238/239 of P00437

query
sites
P00437

R

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I

V

S

S

L

I

Q

P

N

Q

S

S

L

I

S

S

E

E

I

T

T

T

G

G

P

P

V

N

F

F

S

S

S

H

D

L

D

G

L

F

G

G

A

A

L

H

D

D

N

H

D

D

L

L

I

L

L

L

N

N

Y

F

A

N

K

N

D

G

G

G

L

L

P

P

I

I

G

G

E

E

R

R

I

I

I

I

V

V

H

A

G

G

Y

R

V

V

R

V

D

D

G

Q

F

Y

G

G

R

K

P

P

M

V

K

P

N

N

T

T

L

L

V

V

E

E

V

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

K

N

D

D

Q

R

Y

Y

L

L

A

A

P

P

I

L

D

D

P

P

N

N

F

F

G

G

G

G

C

V

G

G

R

R

V

C

L

L

T

T

D

D

E

S

N

D

G

G

Y

Y

Y

Y

C

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

Q

G

V

P

S

N

D

D

W

W

R

R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

L

I

C

S

G

G

D

P

A

S

W

I

A

A

Q

T

R

K

L

L

I

I

T

T

Q

Q

M

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

K

P

Q

M

C

C

P

P

I

I

V

V

K

K

T

S

I

I

N

A

N

N

D

P

D

E

A

A

I

V

R

Q

T

Q

L

L

I

I

A

A

E

K

L

L

D

D

T

M

H

N

A

N

A

A

V

N

P

P

L

M

D

D

S

C

L

L

A

A

Y

Y

R

R

F

F

D

D

L

I

V

V

L

L

R

R

G

G

H

Q

R

R

A

K

T

T

L

H

F

F

E

E

N

N

Y109 (= Y110) binding
Y148 (= Y149) binding
H161 (= H162) binding
H163 (= H164) 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)
66% identity, 92% coverage: 13:239/246 of query aligns to 11:237/238 of 4whrB

query
sites
4whrB

R

R

D

D

Y

R

S

N

S

W

H

H

P

P

P

K

A

A

Y

L

A

T

P
|
P

G

D

Y

Y

K

K

T

T

S

S

V
x
I

L

A

R

R

S

S

P

P

R

R

N

Q

A

A

L

L

I

V

S
|
S

L

I

Q
x
P

N
x
Q

S

S

L

I

S

S

E

E

I

T

T

T

G

G

P

P

V

N

F

F

S

S

S

H

D

L

D

G

L

F

G

G

A

A

L

H

D

D

N

H

D

D

L

L

I

L

L

L

N

N

Y

F

A

N

K

N

D

G

G

G

L

L

P

P

I

I

G

G

E

E

R

R

I

I

I

I

V

V

H

A

G

G

Y

R

V

V

R

V

D

D

G

Q

F

Y

G

G

R

K

P

P

M

V

K

P

N

N

T

T

L

L

V

V

E

E

V

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

K

N

D

D

Q

R

Y

Y

L

L

A

A

P

P

I

L

D

D

P

P

N

N

F

F

G

G

G

G

C

V

G

G

R

R

V

C

L

L

T

T

D

D

E

S

N

D

G

G

Y

Y

Y

Y

C

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

Q

G

V

P

S

N

D

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

L

I

C

S

G

G

D

P

A

S

W

I

A

A

Q

T

R

K

L

L

I

I

T

T

Q

Q

M

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

K

P

Q

M

C

C

P

P

I
|
I

V

V

K

K

T

S

I

I

N

A

N

N

D

P

D

E

A

A

I

V

R

Q

T

Q

L

L

I

I

A

A

E

K

L

L

D

D

T

M

H

N

A

N

A

A

V

N

P

P

L

M

D

D

S

C

L

L

A

A

Y

Y

R

R

F

F

D

D

L

I

V

V

L

L

R

R

G

G

H

Q

R
|
R

A

K

T

T

L

H

F

F

E
|
E

N

N

active site: Y108 (= Y110), Y147 (= Y149), R157 (= R159), H160 (= H162), H162 (= H164)
binding 4-fluorobenzene-1,2-diol: P22 (= P24), I28 (≠ V30), S38 (= S40), P40 (≠ Q42), P40 (≠ Q42), Q41 (≠ N43), R231 (= R233), E236 (= E238)
binding 4-fluorooxepine-2,7-dione: Y147 (= Y149), W149 (= W151), R157 (= R159), H160 (= H162), H162 (= H164), I191 (= I193)
binding fe (iii) ion: Y108 (= Y110), Y147 (= Y149), H160 (= H162), H162 (= H164)

Sites not aligning to the query:

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

4whqB Alkylperoxo reaction intermediate trapped in protocatechuate 3,4- dioxygenase (pseudomonas putida) at ph 6.5 (see paper)
66% identity, 92% coverage: 13:239/246 of query aligns to 11:237/238 of 4whqB

query
sites
4whqB

R

R

D

D

Y

R

S

N

S

W

H

H

P

P

P

K

A

A

Y

L

A

T

P

P

G

D

Y

Y

K

K

T

T

S

S

V

I

L

A

R

R

S

S

P

P

R

R

N

Q

A

A

L

L

I

V

S

S

L

I

Q

P

N

Q

S

S

L

I

S

S

E

E

I

T

T

T

G

G

P

P

V

N

F

F

S

S

S

H

D

L

D

G

L

F

G

G

A

A

L

H

D

D

N

H

D

D

L

L

I

L

L

L

N

N

Y

F

A

N

K

N

D

G

G

G

L

L

P

P

I

I

G

G

E

E

R

R

I

I

I

I

V

V

H

A

G

G

Y
x
R

V

V

R

V

D

D

G

Q

F

Y

G

G

R

K

P

P

M

V

K

P

N

N

T

T

L

L

V

V

E

E

V

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

K

N

D

D

Q

R

Y

Y

L

L

A

A

P

P

I

L

D

D

P

P

N

N

F

F

G

G

G

G

C

V

G

G

R

R

V

C

L

L

T

T

D

D

E

S

N

D

G

G

Y

Y

Y

Y

C

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

Q

G

V

P

S

N

D

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

L

I

C

S

G

G

D

P

A

S

W

I

A

A

Q

T

R

K

L

L

I

I

T

T

Q

Q

M

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

K

P

Q

M

C

C

P

P

I
|
I

V

V

K
|
K

T

S

I
|
I

N
x
A

N

N

D

P

D

E

A

A

I
x
V

R

Q

T

Q

L

L

I

I

A

A

E

K

L

L

D

D

T

M

H

N

A

N

A

A

V

N

P

P

L

M

D

D

S

C

L

L

A

A

Y

Y

R

R

F

F

D
|
D

L

I

V

V

L

L

R

R

G

G

H

Q

R

R

A

K

T

T

L

H

F

F

E

E

N

N

active site: Y108 (= Y110), Y147 (= Y149), R157 (= R159), H160 (= H162), H162 (= H164)
binding 4-fluorobenzene-1,2-diol: R83 (≠ Y85), R109 (= R111), H110 (= H112), K111 (= K113), K193 (= K195), I195 (= I197), A196 (≠ N198), V201 (≠ I203), D224 (= D226)
binding (6S)-4-fluoro-6-hydroperoxy-6-hydroxycyclohexa-2,4-dien-1-one: Y108 (= Y110), Y147 (= Y149), W149 (= W151), R157 (= R159), H160 (= H162), H162 (= H164), I191 (= I193)
binding fe (iii) ion: Y108 (= Y110), Y147 (= Y149), H160 (= H162), H162 (= H164)

3lxvM Tyrosine 447 of protocatechuate 3,4-dioxygenase controls efficient progress through catalysis
66% identity, 92% coverage: 13:239/246 of query aligns to 11:237/238 of 3lxvM

query
sites
3lxvM

R

R

D

D

Y

R

S

N

S

W

H

H

P

P

P

K

A

A

Y

L

A

T

P

P

G

D

Y
|
Y

K

K

T

T

S

S

V

I

L

A

R

R

S

S

P

P

R

R

N

Q

A

A

L

L

I

V

S

S

L

I

Q

P

N

Q

S

S

L

I

S

S

E

E

I

T

T

T

G

G

P

P

V

N

F

F

S

S

S

H

D

L

D

G

L

F

G

G

A

A

L

H

D

D

N

H

D

D

L

L

I

L

L

L

N

N

Y

F

A

N

K

N

D

G

G

G

L

L

P

P

I

I

G

G

E

E

R

R

I

I

I

I

V

V

H

A

G

G

Y

R

V

V

R

V

D

D

G

Q

F

Y

G

G

R

K

P

P

M

V

K

P

N

N

T

T

L

L

V

V

E

E

V

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

K

N

D

D

Q

R

Y

Y

L

L

A

A

P

P

I

L

D

D

P

P

N

N

F

F

G

G

G

G

C

V

G

G

R

R

V

C

L

L

T

T

D

D

E

S

N

D

G

G

Y

Y

Y

Y

C

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

Q

G

V

P

S

N

D

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

L

I

C

S

G

G

D

P

A

S

W

I

A

A

Q

T

R

K

L

L

I

I

T

T

Q

Q

M

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

K

P

Q

M

C

C

P

P

I
|
I

V

V

K

K

T

S

I

I

N

A

N

N

D

P

D

E

A

A

I

V

R

Q

T

Q

L

L

I

I

A

A

E

K

L

L

D

D

T

M

H

N

A

N

A

A

V

N

P

P

L

M

D

D

S

C

L

L

A

A

Y

Y

R

R

F

F

D

D

L

I

V

V

L

L

R

R

G

G

H

Q

R

R

A

K

T

T

L

H

F

F

E

E

N

N

binding 4-nitrocatechol: Y24 (= Y26), Y108 (= Y110), H147 (≠ Y149), W149 (= W151), R157 (= R159), H160 (= H162), H162 (= H164), I191 (= I193)
binding fe (iii) ion: Y108 (= Y110), H160 (= H162), H162 (= H164)

3lktM Tyrosine 447 of protocatechuate 3,4-dioxygenase controls efficient progress through catalysis
66% identity, 92% coverage: 13:239/246 of query aligns to 11:237/238 of 3lktM

query
sites
3lktM

R

R

D

D

Y

R

S

N

S

W

H

H

P

P

P

K

A

A

Y

L

A

T

P

P

G

D

Y

Y

K

K

T

T

S

S

V

I

L

A

R

R

S

S

P

P

R

R

N

Q

A

A

L

L

I

V

S

S

L

I

Q

P

N

Q

S

S

L

I

S

S

E

E

I

T

T

T

G

G

P

P

V

N

F

F

S

S

S

H

D

L

D

G

L

F

G

G

A

A

L

H

D

D

N

H

D

D

L

L

I

L

L

L

N

N

Y

F

A

N

K

N

D

G

G

G

L

L

P

P

I

I

G

G

E

E

R

R

I

I

I

I

V

V

H

A

G

G

Y

R

V

V

R

V

D

D

G

Q

F

Y

G

G

R

K

P

P

M

V

K

P

N

N

T

T

L

L

V

V

E

E

V

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

K

N

D

D

Q

R

Y

Y

L

L

A

A

P

P

I

L

D

D

P

P

N

N

F

F

G

G

G

G

C

V

G

G

R

R

V

C

L

L

T

T

D

D

E

S

N

D

G

G

Y

Y

Y

Y

C

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

Q

G

V

P

S

N

D

D

W

W

R

R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

L

I

C

S

G

G

D

P

A

S

W

I

A

A

Q

T

R

K

L

L

I

I

T

T

Q

Q

M

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

K

P

Q

M

C

C

P

P

I

I

V

V

K

K

T

S

I

I

N

A

N

N

D

P

D

E

A

A

I

V

R

Q

T

Q

L

L

I

I

A

A

E

K

L

L

D

D

T

M

H

N

A

N

A

A

V

N

P

P

L

M

D

D

S

C

L

L

A

A

Y

Y

R

R

F

F

D

D

L

I

V

V

L

L

R

R

G

G

H

Q

R

R

A

K

T

T

L

H

F

F

E

E

N

N

binding fe (iii) ion: Y108 (= Y110), H160 (= H162), H162 (= H164)

4whqF Alkylperoxo reaction intermediate trapped in protocatechuate 3,4- dioxygenase (pseudomonas putida) at ph 6.5 (see paper)
66% identity, 92% coverage: 13:238/246 of query aligns to 11:236/236 of 4whqF

query
sites
4whqF

R

R

D

D

Y

R

S

N

S

W

H

H

P

P

P

K

A

A

Y

L

A

T

P

P

G

D

Y

Y

K

K

T

T

S

S

V

I

L

A

R

R

S

S

P

P

R

R

N

Q

A

A

L

L

I

V

S
|
S

L
x
I

Q
x
P

N

Q

S

S

L

I

S

S

E

E

I

T

T

T

G

G

P

P

V

N

F

F

S

S

S

H

D

L

D

G

L

F

G

G

A

A

L

H

D

D

N

H

D

D

L

L

I

L

L

L

N
|
N

Y

F

A

N

K

N

D

G

G

G

L

L

P

P

I

I

G

G

E

E

R

R

I

I

I

I

V

V

H

A

G

G

Y

R

V

V

R

V

D

D

G

Q

F

Y

G

G

R

K

P

P

M

V

K

P

N

N

T

T

L

L

V

V

E

E

V

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

K

N

D

D

Q

R

Y

Y

L

L

A

A

P

P

I

L

D

D

P

P

N

N

F

F

G
|
G

G

G

C
x
V

G

G

R

R

V

C

L

L

T

T

D

D

E

S

N

D

G

G

Y

Y

Y

Y

C

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

Q

G

V

P

S

N

D

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

L

I

C

S

G

G

D

P

A

S

W

I

A

A

Q

T

R

K

L

L

I

I

T

T

Q

Q

M

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

K

P

Q

M

C

C

P

P

I

I

V

V

K
|
K

T

S

I
|
I

N
x
A

N

N

D

P

D

E

A

A

I
x
V

R

Q

T

Q

L

L

I

I

A

A

E

K

L

L

D

D

T

M

H

N

A

N

A

A

V

N

P

P

L

M

D

D

S

C

L

L

A

A

Y

Y

R

R

F

F

D

D

L

I

V

V

L

L

R

R

G

G

H

Q

R

R

A

K

T

T

L

H

F

F

E

E

active site: Y108 (= Y110), Y147 (= Y149), R157 (= R159), H160 (= H162), H162 (= H164)
binding 4-fluorobenzene-1,2-diol: S38 (= S40), I39 (≠ L41), P40 (≠ Q42), N66 (= N68), G124 (= G126), V126 (≠ C128), K193 (= K195), I195 (= I197), A196 (≠ N198), V201 (≠ I203)
binding bicarbonate ion: R109 (= R111), H110 (= H112)
binding fe (iii) ion: Y108 (= Y110), H160 (= H162), H162 (= H164)

3mv4M Axial ligand swapping in double mutant maintains intradiol-cleavage chemistry in protocatechuate 3,4-dioxygenase
65% identity, 92% coverage: 13:239/246 of query aligns to 11:237/238 of 3mv4M

query
sites
3mv4M

R

R

D

D

Y

R

S

N

S

W

H

H

P

P

P

K

A

A

Y

L

A

T

P

P

G

D

Y

Y

K

K

T

T

S

S

V

I

L

A

R

R

S

S

P

P

R

R

N

Q

A

A

L

L

I

V

S

S

L

I

Q

P

N

Q

S

S

L

I

S

S

E

E

I

T

T

T

G

G

P

P

V

N

F

F

S

S

S

H

D

L

D

G

L

F

G

G

A

A

L

H

D

D

N

H

D

D

L

L

I

L

L

L

N

N

Y

F

A

N

K

N

D

G

G

G

L

L

P

P

I

I

G

G

E

E

R

R

I

I

I

I

V

V

H

A

G

G

Y

R

V

V

R

V

D

D

G

Q

F

Y

G

G

R

K

P

P

M

V

K

P

N

N

T

T

L

L

V

V

E

E

V

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

K

N

D

D

Q

R

Y

Y

L

L

A

A

P

P

I

L

D

D

P

P

N

N

F

F

G

G

G

G

C

V

G

G

R

R

V

C

L

L

T

T

D

D

E

S

N

D

G

G

Y

Y

Y

Y

C

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

Q

G

V

P

S

N

D

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
x
Y

F

F

S

G

L

I

C

S

G

G

D

P

A

S

W

I

A

A

Q

T

R

K

L

L

I

I

T

T

Q

Q

M

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

K

P

Q

M

C

C

P

P

I

I

V

V

K

K

T

S

I

I

N

A

N

N

D

P

D

E

A

A

I

V

R

Q

T

Q

L

L

I

I

A

A

E

K

L

L

D

D

T

M

H

N

A

N

A

A

V

N

P

P

L

M

D

D

S

C

L

L

A

A

Y

Y

R

R

F

F

D

D

L

I

V

V

L

L

R

R

G

G

H

Q

R

R

A

K

T

T

L

H

F

F

E

E

N

N

binding carbonate ion: Y108 (= Y110), H147 (≠ Y149), R157 (= R159), Y162 (≠ H164)
binding fe (iii) ion: Y108 (= Y110), H147 (≠ Y149), H160 (= H162), Y162 (≠ H164)

3mi5M Axial ligand swapping in double mutant maintains intradiol-cleavage chemistry in protocatechuate 3,4-dioxygenase
65% identity, 92% coverage: 13:239/246 of query aligns to 11:237/238 of 3mi5M

query
sites
3mi5M

R

R

D

D

Y

R

S

N

S

W

H

H

P

P

P

K

A

A

Y

L

A

T

P

P

G

D

Y

Y

K

K

T

T

S

S

V

I

L

A

R

R

S

S

P

P

R

R

N

Q

A

A

L

L

I

V

S

S

L

I

Q

P

N

Q

S

S

L

I

S

S

E

E

I

T

T

T

G

G

P

P

V

N

F

F

S

S

S

H

D

L

D

G

L

F

G

G

A

A

L

H

D

D

N

H

D

D

L

L

I

L

L

L

N

N

Y

F

A

N

K

N

D

G

G

G

L

L

P

P

I

I

G

G

E

E

R

R

I

I

I

I

V

V

H

A

G

G

Y

R

V

V

R

V

D

D

G

Q

F

Y

G

G

R

K

P

P

M

V

K

P

N

N

T

T

L

L

V

V

E

E

V

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

K

N

D

D

Q

R

Y

Y

L

L

A

A

P

P

I

L

D

D

P

P

N

N

F

F

G

G

G

G

C

V

G

G

R

R

V

C

L

L

T

T

D

D

E

S

N

D

G

G

Y

Y

Y

Y

C

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

Q

G

V

P

S

N

D

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
x
Y

F

F

S

G

L

I

C

S

G

G

D

P

A

S

W

I

A

A

Q

T

R

K

L

L

I

I

T

T

Q

Q

M

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

K

P

Q

M

C

C

P

P

I

I

V

V

K

K

T

S

I

I

N

A

N

N

D

P

D

E

A

A

I

V

R

Q

T

Q

L

L

I

I

A

A

E

K

L

L

D

D

T

M

H

N

A

N

A

A

V

N

P

P

L

M

D

D

S

C

L

L

A

A

Y

Y

R

R

F

F

D

D

L

I

V

V

L

L

R

R

G

G

H

Q

R

R

A

K

T

T

L

H

F

F

E

E

N

N

binding catechol: Y108 (= Y110), H147 (≠ Y149), W149 (= W151), R157 (= R159), H160 (= H162), Y162 (≠ H164)
binding fe (iii) ion: Y108 (= Y110), H160 (= H162), Y162 (≠ H164)

3mflM Axial ligand swapping in double mutant maintains intradiol-cleavage chemistry in protocatechuate 3,4-dioxygenase
65% identity, 92% coverage: 13:239/246 of query aligns to 11:237/238 of 3mflM

query
sites
3mflM

R

R

D

D

Y

R

S

N

S

W

H

H

P

P

P

K

A

A

Y

L

A

T

P

P

G

D

Y

Y

K

K

T

T

S

S

V

I

L

A

R

R

S

S

P

P

R

R

N

Q

A

A

L

L

I

V

S

S

L

I

Q

P

N

Q

S

S

L

I

S

S

E

E

I

T

T

T

G

G

P

P

V

N

F

F

S

S

S

H

D

L

D

G

L

F

G

G

A

A

L

H

D

D

N

H

D

D

L

L

I

L

L

L

N

N

Y

F

A

N

K

N

D

G

G

G

L

L

P

P

I

I

G

G

E

E

R

R

I

I

I

I

V

V

H

A

G

G

Y

R

V

V

R

V

D

D

G

Q

F

Y

G

G

R

K

P

P

M

V

K

P

N

N

T

T

L

L

V

V

E

E

V

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

K

N

D

D

Q

R

Y

Y

L

L

A

A

P

P

I

L

D

D

P

P

N

N

F

F

G

G

G

G

C

V

G

G

R

R

V

C

L

L

T

T

D

D

E

S

N

D

G

G

Y

Y

Y

Y

C

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

Q

G

V

P

S

N

D

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
x
Y

F

F

S

G

L

I

C

S

G

G

D

P

A

S

W

I

A

A

Q

T

R

K

L

L

I

I

T

T

Q

Q

M

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

K

P

Q

M

C

C

P

P

I

I

V

V

K

K

T

S

I

I

N

A

N

N

D

P

D

E

A

A

I

V

R

Q

T

Q

L

L

I

I

A

A

E

K

L

L

D

D

T

M

H

N

A

N

A

A

V

N

P

P

L

M

D

D

S

C

L

L

A

A

Y

Y

R

R

F

F

D

D

L

I

V

V

L

L

R

R

G

G

H

Q

R

R

A

K

T

T

L

H

F

F

E

E

N

N

binding 2-(3,4-dihydroxyphenyl)acetic acid: Y108 (= Y110), H147 (≠ Y149), W149 (= W151), R157 (= R159), H160 (= H162), Y162 (≠ H164)
binding fe (iii) ion: Y108 (= Y110), H160 (= H162), Y162 (≠ H164)

3pckM Structure of protocatechuate 3,4-dioxygenase complexed with 6- hydroxynicotinic acid n-oxide (see paper)
66% identity, 92% coverage: 13:238/246 of query aligns to 11:233/233 of 3pckM

query
sites
3pckM

R

R

D

D

Y

R

S

N

S

W

H

H

P

P

P

K

A

A

Y

L

A

T

P

P

G

D

Y
|
Y

K

K

T

T

S

S

V

I

L

A

R

R

S

S

P

P

R

R

N

Q

A

A

L

L

I

V

S

S

L

I

Q

P

N

Q

S

S

L

I

S

S

E

E

I

T

T

T

G

G

P

P

V

N

F

F

S

S

S

H

D

L

D

G

L

F

G

G

A

A

L

H

D

D

N

H

D

D

L

L

I

L

L

L

N

N

Y

F

A

-

K

-

D

-

G

G

L

L

P

P

I

I

G

G

E

E

R

R

I

I

I

I

V

V

H

A

G

G

Y

R

V

V

R

V

D

D

G

Q

F

Y

G

G

R

K

P

P

M

V

K

P

N

N

T

T

L

L

V

V

E

E

V

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

K

N

D

D

Q

R

Y

Y

L

L

A

A

P

P

I

L

D

D

P

P

N

N

F

F

G

G

G

G

C

V

G

G

R

R

V

C

L

L

T

T

D

D

E

S

N

D

G

G

Y

Y

Y

Y

C

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

Q

G

V

P

S

N

D

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

L

I

C

S

G

G

D

P

A

S

W

I

A

A

Q

T

R

K

L

L

I

I

T

T

Q

Q

M

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

K

P

Q

M

C

C

P

P

I
|
I

V

V

K

K

T

S

I

I

N

A

N

N

D

P

D

E

A

A

I

V

R

Q

T

Q

L

L

I

I

A

A

E

K

L

L

D

D

T

M

H

N

A

N

A

A

V

N

P

P

L

M

D

D

S

C

L

L

A

A

Y

Y

R

R

F

F

D

D

L

I

V

V

L

L

R

R

G

G

H

Q

R

R

A

K

T

T

L

H

F

F

E

E

active site: Y105 (= Y110), Y144 (= Y149), R154 (= R159), H157 (= H162), H159 (= H164)
binding fe (iii) ion: Y105 (= Y110), H157 (= H162), H159 (= H164)
binding 6-hydroxyisonicotinic acid n-oxide: Y24 (= Y26), Y105 (= Y110), W146 (= W151), R154 (= R159), H157 (= H162), H159 (= H164), I188 (= I193)

3pcjM Structure of protocatechuate 3,4-dioxygenase complexed with 2- hydroxyisonicotinic acid n-oxide (see paper)
66% identity, 92% coverage: 13:238/246 of query aligns to 11:233/233 of 3pcjM

query
sites
3pcjM

R

R

D

D

Y

R

S

N

S

W

H

H

P

P

P

K

A

A

Y

L

A

T

P

P

G

D

Y
|
Y

K

K

T

T

S

S

V

I

L

A

R

R

S

S

P

P

R

R

N

Q

A

A

L

L

I

V

S

S

L

I

Q

P

N

Q

S

S

L

I

S

S

E

E

I

T

T

T

G

G

P

P

V

N

F

F

S

S

S

H

D

L

D

G

L

F

G

G

A

A

L

H

D

D

N

H

D

D

L

L

I

L

L

L

N

N

Y

F

A

-

K

-

D

-

G

G

L

L

P

P

I

I

G

G

E

E

R

R

I

I

I

I

V

V

H

A

G

G

Y

R

V

V

R

V

D

D

G

Q

F

Y

G

G

R

K

P

P

M

V

K

P

N

N

T

T

L

L

V

V

E

E

V

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

K

N

D

D

Q

R

Y

Y

L

L

A

A

P

P

I

L

D

D

P

P

N

N

F

F

G

G

G

G

C

V

G

G

R

R

V

C

L

L

T

T

D

D

E

S

N

D

G

G

Y

Y

Y

Y

C

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

Q

G

V

P

S

N

D

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

L

I

C

S

G

G

D

P

A

S

W

I

A

A

Q

T

R

K

L

L

I

I

T

T

Q

Q

M

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

K

P

Q

M

C

C

P

P

I

I

V

V

K

K

T

S

I

I

N

A

N

N

D

P

D

E

A

A

I

V

R

Q

T

Q

L

L

I

I

A

A

E

K

L

L

D

D

T

M

H

N

A

N

A

A

V

N

P

P

L

M

D

D

S

C

L

L

A

A

Y

Y

R

R

F

F

D

D

L

I

V

V

L

L

R

R

G

G

H

Q

R

R

A

K

T

T

L

H

F

F

E

E

active site: Y105 (= Y110), Y144 (= Y149), R154 (= R159), H157 (= H162), H159 (= H164)
binding fe (iii) ion: Y105 (= Y110), H157 (= H162), H159 (= H164)
binding 2-hydroxyisonicotinic acid n-oxide: Y24 (= Y26), Y144 (= Y149), W146 (= W151), R154 (= R159), H157 (= H162), H159 (= H164)

3pciM Structure of protocatechuate 3,4-dioxygenase complexed with 3-iodo-4- hydroxybenzoate (see paper)
66% identity, 92% coverage: 13:238/246 of query aligns to 11:233/233 of 3pciM

query
sites
3pciM

R

R

D

D

Y

R

S

N

S

W

H

H

P

P

P

K

A

A

Y

L

A

T

P

P

G

D

Y

Y

K

K

T

T

S

S

V

I

L

A

R

R

S

S

P

P

R

R

N

Q

A

A

L

L

I

V

S

S

L

I

Q

P

N

Q

S

S

L

I

S

S

E

E

I

T

T

T

G

G

P

P

V

N

F

F

S

S

S

H

D

L

D

G

L

F

G

G

A

A

L

H

D

D

N

H

D

D

L

L

I

L

L

L

N

N

Y

F

A

-

K

-

D

-

G

G

L

L

P

P

I

I

G

G

E

E

R

R

I

I

I

I

V

V

H

A

G

G

Y

R

V

V

R

V

D

D

G

Q

F

Y

G

G

R

K

P

P

M

V

K

P

N

N

T

T

L

L

V

V

E

E

V

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

K

N

D

D

Q

R

Y

Y

L

L

A

A

P

P

I

L

D

D

P

P

N

N

F

F

G

G

G

G

C

V

G

G

R

R

V

C

L

L

T

T

D

D

E

S

N

D

G

G

Y

Y

Y

Y

C

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

Q

G

V

P

S

N

D

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

L

I

C

S

G

G

D

P

A

S

W

I

A

A

Q

T

R

K

L

L

I

I

T

T

Q

Q

M

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

K

P

Q

M

C

C

P

P

I

I

V

V

K

K

T

S

I

I

N

A

N

N

D

P

D

E

A

A

I

V

R

Q

T

Q

L

L

I

I

A

A

E

K

L

L

D

D

T

M

H

N

A

N

A

A

V

N

P

P

L

M

D

D

S

C

L

L

A

A

Y

Y

R

R

F

F

D

D

L

I

V

V

L

L

R

R

G

G

H

Q

R

R

A

K

T

T

L

H

F

F

E

E

active site: Y105 (= Y110), Y144 (= Y149), R154 (= R159), H157 (= H162), H159 (= H164)
binding fe (iii) ion: Y105 (= Y110), Y144 (= Y149), H157 (= H162), H159 (= H164)
binding 3-iodo-4-hydroxybenzoic acid: Y105 (= Y110), Y144 (= Y149), H159 (= H164)

3pchM Structure of protocatechuate 3,4-dioxygenase complexed with 3-chloro- 4-hydroxybenzoate (see paper)
66% identity, 92% coverage: 13:238/246 of query aligns to 11:233/233 of 3pchM

query
sites
3pchM

R

R

D

D

Y

R

S

N

S

W

H

H

P

P

P

K

A

A

Y

L

A

T

P

P

G

D

Y
|
Y

K

K

T

T

S

S

V

I

L

A

R

R

S

S

P

P

R

R

N

Q

A

A

L

L

I

V

S

S

L

I

Q

P

N

Q

S

S

L

I

S

S

E

E

I

T

T

T

G

G

P

P

V

N

F

F

S

S

S

H

D

L

D

G

L

F

G

G

A

A

L

H

D

D

N

H

D

D

L

L

I

L

L

L

N

N

Y

F

A

-

K

-

D

-

G

G

L

L

P

P

I

I

G

G

E

E

R

R

I

I

I

I

V

V

H

A

G

G

Y

R

V

V

R

V

D

D

G

Q

F

Y

G

G

R

K

P

P

M

V

K

P

N

N

T

T

L

L

V

V

E

E

V

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

K

N

D

D

Q

R

Y

Y

L

L

A

A

P

P

I

L

D

D

P

P

N

N

F

F

G

G

G

G

C

V

G

G

R

R

V

C

L

L

T

T

D

D

E

S

N

D

G

G

Y

Y

Y

Y

C

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

Q

G

V

P

S

N

D

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

L

I

C

S

G

G

D

P

A

S

W

I

A

A

Q

T

R

K

L

L

I

I

T

T

Q
|
Q

M

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

K

P

Q

M

C

C

P

P

I
|
I

V

V

K

K

T

S

I

I

N

A

N

N

D

P

D

E

A

A

I

V

R

Q

T

Q

L

L

I

I

A

A

E

K

L

L

D

D

T

M

H

N

A

N

A

A

V

N

P

P

L

M

D

D

S

C

L

L

A

A

Y

Y

R

R

F

F

D

D

L

I

V

V

L

L

R

R

G

G

H

Q

R

R

A

K

T

T

L

H

F

F

E

E

active site: Y105 (= Y110), Y144 (= Y149), R154 (= R159), H157 (= H162), H159 (= H164)
binding 3-chloro-4-hydroxybenzoic acid: Y24 (= Y26), Y144 (= Y149), W146 (= W151), R154 (= R159), H157 (= H162), H159 (= H164), Q174 (= Q179), I188 (= I193)
binding fe (iii) ion: Y105 (= Y110), Y144 (= Y149), H157 (= H162), H159 (= H164)

3pcgM Structure of protocatechuate 3,4-dioxygenase complexed with the inhibitor 4-hydroxyphenylacetate (see paper)
66% identity, 92% coverage: 13:238/246 of query aligns to 11:233/233 of 3pcgM

query
sites
3pcgM

R

R

D

D

Y

R

S

N

S

W

H

H

P

P

P

K

A

A

Y

L

A

T

P

P

G

D

Y
|
Y

K

K

T

T

S

S

V

I

L

A

R

R

S

S

P

P

R

R

N

Q

A

A

L

L

I

V

S

S

L

I

Q

P

N

Q

S

S

L

I

S

S

E

E

I

T

T

T

G

G

P

P

V

N

F

F

S

S

S

H

D

L

D

G

L

F

G

G

A

A

L

H

D

D

N

H

D

D

L

L

I

L

L

L

N

N

Y

F

A

-

K

-

D

-

G

G

L

L

P

P

I

I

G

G

E

E

R

R

I

I

I

I

V

V

H

A

G

G

Y

R

V

V

R

V

D

D

G

Q

F

Y

G

G

R

K

P

P

M

V

K

P

N

N

T

T

L

L

V

V

E

E

V

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

K

N

D

D

Q

R

Y

Y

L

L

A

A

P

P

I

L

D

D

P

P

N

N

F

F

G

G

G

G

C

V

G

G

R

R

V

C

L

L

T

T

D

D

E

S

N

D

G

G

Y

Y

Y

Y

C

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

Q

G

V

P

S

N

D

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

L

I

C

S

G

G

D

P

A

S

W

I

A

A

Q

T

R

K

L

L

I

I

T

T

Q

Q

M

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

K

P

Q

M

C

C

P

P

I
|
I

V

V

K

K

T

S

I

I

N

A

N

N

D

P

D

E

A

A

I

V

R

Q

T

Q

L

L

I

I

A

A

E

K

L

L

D

D

T

M

H

N

A

N

A

A

V

N

P

P

L

M

D

D

S

C

L

L

A

A

Y

Y

R

R

F

F

D

D

L

I

V

V

L

L

R

R

G

G

H

Q

R

R

A

K

T

T

L

H

F

F

E

E

active site: Y105 (= Y110), Y144 (= Y149), R154 (= R159), H157 (= H162), H159 (= H164)
binding 4-hydroxyphenylacetate: Y24 (= Y26), Y105 (= Y110), Y144 (= Y149), W146 (= W151), R154 (= R159), H159 (= H164), I188 (= I193)
binding fe (iii) ion: Y105 (= Y110), Y144 (= Y149), H157 (= H162), H159 (= H164)

3pcfM Structure of protocatechuate 3,4-dioxygenase complexed with 3-fluro-4- hydroxybenzoate (see paper)
66% identity, 92% coverage: 13:238/246 of query aligns to 11:233/233 of 3pcfM

query
sites
3pcfM

R

R

D

D

Y

R

S

N

S

W

H

H

P

P

P

K

A

A

Y

L

A

T

P
|
P

G

D

Y
|
Y

K

K

T

T

S

S

V
x
I

L

A

R

R

S

S

P

P

R

R

N

Q

A

A

L

L

I

V

S

S

L

I

Q

P

N

Q

S

S

L

I

S

S

E

E

I

T

T

T

G

G

P

P

V

N

F

F

S

S

S

H

D

L

D

G

L

F

G

G

A

A

L

H

D

D

N

H

D

D

L

L

I

L

L

L

N

N

Y

F

A

-

K

-

D

-

G

G

L

L

P

P

I

I

G

G

E

E

R

R

I

I

I

I

V

V

H

A

G

G

Y

R

V

V

R

V

D

D

G

Q

F

Y

G

G

R

K

P

P

M

V

K

P

N

N

T

T

L

L

V

V

E

E

V

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

K

N

D

D

Q

R

Y

Y

L

L

A

A

P

P

I

L

D

D

P

P

N

N

F

F

G

G

G

G

C

V

G

G

R

R

V

C

L

L

T

T

D

D

E

S

N

D

G

G

Y

Y

Y

Y

C

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

Q

G

V

P

S

N

D

D

W

W

R
|
R

P

P

A

A

H
|
H

I

I

H
|
H

F

F

S

G

L

I

C

S

G

G

D

P

A

S

W

I

A

A

Q

T

R

K

L

L

I

I

T

T

Q

Q

M

L

Y

Y

F

F

E

E

G

G

D

D

P

P

L

L

I

I

K

P

Q

M

C

C

P

P

I
|
I

V

V

K

K

T

S

I

I

N

A

N

N

D

P

D

E

A

A

I

V

R

Q

T

Q

L

L

I

I

A

A

E

K

L

L

D

D

T

M

H

N

A

N

A

A

V

N

P

P

L

M

D

D

S

C

L

L

A

A

Y

Y

R

R

F

F

D

D

L

I

V

V

L

L

R

R

G

G

H

Q

R

R

A

K

T

T

L

H

F

F

E

E

active site: Y105 (= Y110), Y144 (= Y149), R154 (= R159), H157 (= H162), H159 (= H164)
binding fe (iii) ion: Y105 (= Y110), Y144 (= Y149), H157 (= H162), H159 (= H164)
binding 3-fluoro-4-hydroxybenzoic acid: P22 (= P24), Y24 (= Y26), I28 (≠ V30), Y144 (= Y149), W146 (= W151), R154 (= R159), H157 (= H162), H159 (= H164), I188 (= I193)

Query Sequence

>BWI76_RS13290 FitnessBrowser__Koxy:BWI76_RS13290
MNDKWSPREVLHRDYSSHPPAYAPGYKTSVLRSPRNALISLQNSLSEITGPVFSSDDLGA
LDNDLILNYAKDGLPIGERIIVHGYVRDGFGRPMKNTLVEVWQANAGGRYRHKKDQYLAP
IDPNFGGCGRVLTDENGYYCFRTIKPGPYPWRNQVSDWRPAHIHFSLCGDAWAQRLITQM
YFEGDPLIKQCPIVKTINNDDAIRTLIAELDTHAAVPLDSLAYRFDLVLRGHRATLFENR
TQGAAR

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