SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing GFF4091 FitnessBrowser__Marino:GFF4091 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)

1mpyA Structure of catechol 2,3-dioxygenase (metapyrocatechase) from pseudomonas putida mt-2 (see paper)
82% identity, 100% coverage: 1:307/307 of query aligns to 1:307/307 of 1mpyA

query
sites
1mpyA

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active site: H153 (= H153), H199 (= H199), H214 (= H214), H246 (= H246), Y255 (= Y255), E265 (= E265)
binding acetone: F191 (= F191), H199 (= H199), H214 (= H214), H246 (= H246), L248 (= L248), T249 (= T249), Y255 (= Y255)
binding fe (ii) ion: H153 (= H153), H199 (= H199), H214 (= H214), E265 (= E265)

3hpvA Crystal structure analysis of the 2,3-dioxygenase lapb from pseudomonas sp. Kl28 (see paper)
50% identity, 95% coverage: 4:296/307 of query aligns to 4:297/297 of 3hpvA

query
sites
3hpvA

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active site: H153 (= H153), H200 (= H199), H215 (= H214), H247 (= H246), Y256 (= Y255), E266 (= E265)
binding fe (ii) ion: H153 (= H153), H215 (= H214), S217 (= S216), E266 (= E265)

3hq0B Crystal structure analysis of the 2,3-dioxygenase lapb from pseudomonas in complex with a product (see paper)
52% identity, 91% coverage: 4:282/307 of query aligns to 4:283/288 of 3hq0B

query
sites
3hq0B

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active site: H153 (= H153), H200 (= H199), H215 (= H214), H247 (= H246), Y256 (= Y255), E266 (= E265)
binding fe (iii) ion: H153 (= H153), H215 (= H214), S217 (= S216), E266 (= E265)
binding (2E,4E)-2-hydroxy-6-oxohepta-2,4-dienoic acid: H153 (= H153), L155 (= L155), W192 (≠ F191), H200 (= H199), H214 (= H213), H215 (= H214), H247 (= H246), V249 (≠ L248), T250 (= T249), Y256 (= Y255), E266 (= E265)

3hpyA Crystal structure analysis of the 2,3-dioxygenase lapb from pseudomonas in the complex with 4-methylcatechol (see paper)
52% identity, 91% coverage: 4:282/307 of query aligns to 4:283/288 of 3hpyA

query
sites
3hpyA

G

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active site: H153 (= H153), H200 (= H199), H215 (= H214), H247 (= H246), Y256 (= Y255), E266 (= E265)
binding fe (iii) ion: H153 (= H153), H215 (= H214), S217 (= S216), E266 (= E265)
binding 4-methylcatechol: H153 (= H153), W192 (≠ F191), H200 (= H199), H215 (= H214), H247 (= H246), V249 (≠ L248), T250 (= T249), Y256 (= Y255), E266 (= E265)

Sites not aligning to the query:

binding 4-methylcatechol: 288

5zsxA Catechol 2,3-dioxygenase with 3-fluorocatechol from diaphorobacter sp ds2
45% identity, 99% coverage: 4:307/307 of query aligns to 2:314/314 of 5zsxA

query
sites
5zsxA

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V

V

L

M

D

D

M

M

D

D

E

A

A

A

L

V

K

R

H

H

Y

Y

T

E

D

N

L

V

L

L

G

G

L

M

I

K

E

T

T

T

D

M

R

K

D

D

D

K

H

A

G

G

R

N

V

V

Y

Y

L

L

K

K

A

C

W

W

T

D

E

E

V

W

D

D

K

K

F

Y

S

S

V

V

V

I

L

L

R

T

P

P

A

S

D

D

E

Q

P

A

G

G

M

M

D

N

F

H

M

L

A

A

F

Y

K

K

V

V

V

E

D

K

E

E

A

A

S

D

L

L

Q

E

Q

A

L

L

E

Q

K

Q

D

K

L

I

A

E

D

A

H

W

G

G

V

V

E

K

V

T

E

T

Q

M

V

L

P

D

E

E

G

G

E

T

L

L

K

P

D

S

C

T

G

G

R

R

R

M

V

L

R

Q

F

F

N

K

A

L

P

P

S

S

G

G

H

H

T

E

F

M

E

R

L

L

Y

Y

A

A

D

S

K

K

K

E

Y

F

T

V

G

G

K

T

W

-

G

D

I

V

T

G

E

N

V

I

N

N

P

P

E

D

A

P

W

W

P

P

R

D

G

G

L

L

D

K

G

G

M

A

K

G

A

A

V

H

R

W

F

L

D
|
D

H
|
H

C

C

L

L

L

L

-

V

-

C

-

E

Y

M

G

N

P

P

E

E

-

A

-

G

-

I

-

N

-

T

L

V

A

A

A

D

T

N

Y

T

D

R

L

F

F

V

V

T

N

E

V

C

L

L

G

D

F

F

Y

F

L

L

A

T

E

E

Q

Q

V

V

L

L

D

V

G

G

D

P

G

G

T

G

R

S

I

I

-

Q

-

A

A

T

Q

T

F
|
F

L

L

T

A

L

R

S

T

T

T

K
x
T

A

P

H
|
H

D
|
D

I

I

A

A

F

F

I

V

H

G

H

G

E

P

E

T

K

S

G

G

K

-

F

L

H

H

H
|
H

A

I

S

A

F

F

Y

F

L

L

E

D

T

S

W

W

E

H

D

D

V

V

L

L

R

K

A

A

A

A

D

D

L

V

I

M

S

A

M

K

T

N

D

K

T

V

S

R

I

I

D

D

I

V

G

A

P

P

T

T

R

R

H
|
H

G

G

L
x
I

T
|
T

H

R

G

G

K

E

T

T

I

I

Y
|
Y

F

F

F

F

D

D

P

P

S

S

G

G

N

N

R

R

N

N

E
|
E

V

T

F
|
F

C

A

G

G

G

L

D

G

Y

Y

N

L

Y

A

P

Q

D

R

H

D

K

R

P

P

V

V

-

T

T

T

W

W

Q

T

A

E

E

D

Q

Q

L

L

G

G

K

S

A

A

I
|
I

F

F

Y

Y

H

H

D

T

R

G

V

Y

L

L

N

E

E

P

R

S

F
|
F

L

T

T

D

V

V

L

Y

T

T

active site: H150 (= H153), H206 (= H199), H220 (= H214), H252 (= H246), Y261 (= Y255), E271 (= E265)
binding 3-fluorobenzene-1,2-diol: H150 (= H153), F198 (= F191), H206 (= H199), H220 (= H214), H252 (= H246), I254 (≠ L248), T255 (= T249), Y261 (= Y255), E271 (= E265), F273 (= F267), I298 (= I291), F309 (= F302)
binding calcium ion: D149 (= D152), T204 (≠ K197), H206 (= H199), D207 (= D200)
binding fe (iii) ion: H150 (= H153), H220 (= H214), E271 (= E265)

5znhA Catechol 2,3-dioxygenase with 4-methyl catechol from diaphorobacter sp ds2
45% identity, 99% coverage: 4:307/307 of query aligns to 2:314/314 of 5znhA

query
sites
5znhA

G

G

V

V

M

L

R

R

P

I

G

G

H

H

V

A

Q

S

I

L

R

K

V

V

L

M

D

D

M

M

D

D

E

A

A

A

L

V

K

R

H

H

Y

Y

T

E

D

N

L

V

L

L

G

G

L

M

I

K

E

T

T

T

D

M

R

K

D

D

D

K

H

A

G

G

R

N

V

V

Y

Y

L

L

K

K

A

C

W

W

T

D

E

E

V

W

D

D

K

K

F

Y

S

S

V

V

V

I

L

L

R

T

P

P

A

S

D

D

E

Q

P

A

G

G

M

M

D

N

F

H

M

L

A

A

F

Y

K

K

V

V

V

E

D

K

E

E

A

A

S

D

L

L

Q

E

Q

A

L

L

E

Q

K

Q

D

K

L

I

A

E

D

A

H

W

G

G

V

V

E

K

V

T

E

T

Q

M

V

L

P

D

E

E

G

G

E

T

L

L

K

P

D

S

C

T

G

G

R

R

R

M

V

L

R

Q

F

F

N

K

A

L

P

P

S

S

G

G

H

H

T

E

F

M

E

R

L

L

Y

Y

A

A

D

S

K

K

K

E

Y

F

T

V

G

G

K

T

W

-

G

D

I

V

T

G

E

N

V

I

N

N

P

P

E

D

A

P

W

W

P

P

R

D

G

G

L

L

D

K

G

G

M

A

K

G

A

A

V

H

R

W

F

L

D
|
D

H
|
H

C

C

L

L

L

L

-

V

-

C

-

E

Y

M

G

N

P

P

E

E

-

A

-

G

-

I

-

N

-

T

L

V

A

A

A

D

T

N

Y

T

D

R

L

F

F

V

V

T

N

E

V

C

L

L

G

D

F

F

Y

F

L

L

A

T

E

E

Q

Q

V

V

L

L

D

V

G

G

D

P

G

G

T

G

R

S

I

I

-

Q

-

A

A

T

Q

T

F
|
F

L

L

T

A

L

R

S

T

T

T

K
x
T

A

P

H
|
H

D
|
D

I

I

A

A

F

F

I

V

H

G

H

G

E

P

E

T

K

S

G

G

K

-

F

L

H

H

H
|
H

A

I

S

A

F

F

Y

F

L

L

E

D

T

S

W

W

E

H

D

D

V

V

L

L

R

K

A

A

A

A

D

D

L

V

I

M

S

A

M

K

T

N

D

K

T

V

S

R

I

I

D

D

I

V

G

A

P

P

T

T

R

R

H
|
H

G

G

L
x
I

T
|
T

H

R

G

G

K

E

T

T

I

I

Y
|
Y

F

F

F

F

D

D

P

P

S

S

G

G

N

N

R

R

N

N

E
|
E

V

T

F
|
F

C

A

G

G

G

L

D

G

Y

Y

N

L

Y

A

P

Q

D

R

H

D

K

R

P

P

V

V

-

T

T

T

W

W

Q

T

A

E

E

D

Q

Q

L

L

G

G

K

S

A

A

I
|
I

F

F

Y

Y

H

H

D

T

R

G

V

Y

L

L

N

E

E

P

R

S

F

F

L

T

T

D

V

V

L

Y

T

T

active site: H150 (= H153), H206 (= H199), H220 (= H214), H252 (= H246), Y261 (= Y255), E271 (= E265)
binding calcium ion: D149 (= D152), T204 (≠ K197), H206 (= H199), D207 (= D200)
binding fe (iii) ion: H150 (= H153), H220 (= H214), E271 (= E265)
binding 4-methylcatechol: H150 (= H153), F198 (= F191), H206 (= H199), H220 (= H214), H252 (= H246), I254 (≠ L248), T255 (= T249), Y261 (= Y255), E271 (= E265), F273 (= F267), I298 (= I291)

3lm4A Crystal structure of 2,3-dihydroxy biphenyl dioxygenase from rhodococcus sp. (Strain rha1)
27% identity, 87% coverage: 20:287/307 of query aligns to 21:290/325 of 3lm4A

query
sites
3lm4A

E

E

A

T

L

L

K

D

H

F

Y

F

T

T

D

K

L

F

L

L

G

G

L

M

I

Y

E

V

T

T

D

H

R

R

D

E

D

G

H

Q

G

S

R

-

V

V

Y

Y

L

L

K

R

A

G

W

Y

T

E

E

D

V

P

D

Y

K

P

F

W

S

S

V

L

V

K

L

I

R

T

P

E

A

A

D

P

E

E

P

A

G

G

M

M

D

G

F

H

M

A

A

A

F

M

K

R

V

T

V

S

D

S

E

P

A

E

S

A

L

L

Q

E

Q

R

L

R

E

A

K

K

D

S

L

L

A

T

D

D

H

G

G

-

V

-

E

N

V

V

E

D

Q

G

V

T

P

W

E

S

G

E

E

D

L

Q

K

F

D

G

C

Y

G

G

R

K

R

T

V

F

R

E

F

Y

N

Q

A

S

P

P

S

D

G

G

H

H

T

N

F

L

E

Q

L

L

-

L

Y

W

A

E

D

A

K

E

K

K

Y

Y

T

V

G

A

K

P

W

P

G

E

I

L

-

R

T

S

E

K

V

I

N

L

P

T

E

R

A

P

W

S

P

K

R

K

G

P

L

L

D

Q

G

G

M

I

K

P

A

V

V

K

R

R

F

I

D

D

H
|
H

C

L

L

N

L

L

Y

M

G

S

P

S

E

D

L

V

A

T

A

A

T

V

Y

K

D

D

L

S

F

F

V

E

N

R

V

H

L

L

G

G

F

F

Y

R

L

T

A

T

E

E

Q

R

V

V

L

V

D

D

G

G

D

N

G

-

T

V

R

E

I
|
I

A

G

Q

A

F
x
W

L

M

T

S

L

S

S

N

T

L

K

L

A

G

H
|
H

D

E

I

V

A

A

F

C

I
x
M

H
x
R

H

D

E
x
M

E

T

-

G

-

G

K

H

G

G

K

K

F

L

H

H

H
|
H

A

L

S

A

F

F

Y

F

L

Y

E

G

T

T

W

G

E

Q

D

H

V

N

L

I

R

D

A

A

A

V

D

E

L

M

I

F

S

R

M

D

T

Y

D

D

T

I

S

Q

I

I

D

E

I

A

G

G

P

P

T

D

R

K

H
|
H

G

G

L
x
I

T
|
T

H

Q

G

S

K

Q

T

F

I

L

Y
|
Y

F

V

F

F

D

E

P

P

S

G

G

G

N

N

R

R

N

I

E
|
E

V

L

F

F

C

G

G

E

G

A

D

G

Y

Y

N

L

Y

H

-

L

-

D

P

P

D

D

H

A

K

E

P

T

V

K

T

T

W

W

Q

Q

A

M

E

S

Q

D

L

I

active site: H153 (= H153), H198 (= H199), H215 (= H214), H247 (= H246), Y256 (= Y255), E266 (= E265)
binding fe (iii) ion: H153 (= H153), H215 (= H214), E266 (= E265)
binding (2z,4e)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid: I187 (= I188), W190 (≠ F191), M203 (≠ I204), R204 (≠ H205), M206 (≠ E207), H247 (= H246), I249 (≠ L248), T250 (= T249)

Sites not aligning to the query:

binding (2z,4e)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid: 306, 307

7q2aB Crystal structure of aphc in complex with 4-ethylcatechol (see paper)
28% identity, 86% coverage: 20:283/307 of query aligns to 21:286/352 of 7q2aB

query
sites
7q2aB

E

E

A

T

L

L

K

D

H

F

Y

F

T

T

D

K

L

F

L

L

G

G

L

M

I

Y

E

V

T

T

D

H

R

R

D

E

D

G

H

Q

G

S

R

-

V

V

Y

Y

L

L

K

R

A

G

W

Y

T

E

E

D

V

P

D

Y

K

P

F

W

S

S

V

L

V

K

L

I

R

T

P

E

A

A

D

P

E

E

P

A

G

G

M

M

D

G

F

H

M

A

A

A

F

M

K

R

V

T

V

S

D

S

E

P

A

E

S

A

L

L

Q

E

Q

R

L

R

E

A

K

K

D

S

L

L

A

T

D

D

H

G

G

-

V

-

E

N

V

V

E

D

Q

G

V

T

P

W

E

S

G

E

E

D

L

Q

K

F

D

G

C

Y

G

G

R

K

R

T

V

F

R

E

F

Y

N

Q

A

S

P

P

S

D

G

G

H

H

T

N

F

L

E

Q

L

L

-

L

Y

W

A

E

D

A

K

E

K

K

Y

Y

T

V

G

A

K

P

W

P

G

E

I

L

-

R

T

S

E

K

V

I

N

L

P

T

E

R

A

P

W

S

P

K

R

K

G

P

L

L

D

Q

G

G

M

I

K

P

A

V

V

K

R

R

F

I

D

D

H
|
H

C

L

L

N

L

L

Y

M

G

S

P

S

E

D

L

V

A

T

A

A

T

V

Y

K

D

D

L

S

F

F

V

E

N

R

V

H

L

L

G

G

F

F

Y

R

L

T

A

T

E

E

Q

R

V

V

L

V

D

D

G

G

D

N

G

-

T

V

R

E

I

I

A

G

Q

A

F
x
W

L

M

T

S

L

S

S

N

T

L

K

L

A

G

H
|
H

D

E

I

V

A

A

F

C

I

M

H

R

H

D

E

M

E

T

-

G

-

G

K

H

G

G

K

K

F

L

H

H

H
|
H

A

L

S

A

F

F

Y

F

L

Y

E

G

T

T

W

G

E

Q

D

H

V

N

L

I

R

D

A

A

A

V

D

E

L

M

I

F

S

R

M

D

T

Y

D

D

T

I

S

Q

I

I

D

E

I

A

G

G

P

P

T

D

R

K

H
|
H

G

G

L
x
I

T
|
T

H

Q

G

S

K

Q

T

F

I

L

Y
|
Y

F

V

F

F

D

E

P

P

S

G

G

G

N

N

R

R

N

I

E
|
E

V

L

F

F

C

G

G

E

G

A

D

G

Y

Y

N

L

Y

H

-

L

-

D

P

P

D

D

H

A

K

E

P

T

V

K

T

T

W

W

Q

Q

binding 4-ethylbenzene-1,2-diol: H153 (= H153), W190 (≠ F191), H198 (= H199), H215 (= H214), H247 (= H246), I249 (≠ L248), T250 (= T249), Y256 (= Y255), E266 (= E265)
binding fe (iii) ion: H153 (= H153), H215 (= H214), E266 (= E265)

Sites not aligning to the query:

1f1vA Anaerobic substrate complex of homoprotocatechuate 2,3-dioxygenase from arthrobacter globiformis. (Complex with 3,4- dihydroxyphenylacetate) (see paper)
26% identity, 91% coverage: 5:282/307 of query aligns to 12:282/320 of 1f1vA

query
sites
1f1vA

V

I

M

V

R

R

P

C

G

A

H

Y

V

M

Q

E

I

I

R

V

V

V

L

T

D

D

M

L

D

A

E

K

A

S

L

R

K

E

H

F

Y

Y

T

V

D

D

L

V

L

L

G

G

L

L

I

H

E

V

T

T

D

E

R

E

D

D

D

E

H

N

G

T

R

-

V

I

Y

Y

L

L

K

R

A

S

W

L

T

E

E

E

V

F

D

I

K

H

F

H

S

N

V

L

V

V

L

L

R

R

P

Q

A

G

D

P

E

I

P

A

G

A

M

V

D

A

F

A

M

F

A

A

F

Y

K

R

V

V

V

K

D

S

E

P

A

A

S

E

L

V

Q

D

Q

A

L

A

E

E

K

A

D

Y

L

Y

A

K

D

E

H

L

G

G

V

C

E

R

V

T

E

E

Q

R

V

R

P

K

E

E

G

G

E

F

L

T

K

K

D

G

C

I

G

G

R

D

R

S

V

V

R

R

F

V

N

E

A

D

P

P

S

L

G

G

H

F

T

P

F

Y

E

E

L

F

Y

F

A

Y

D

E

K

T

K

E

Y

H

T

V

G

E

K

R

W

-

G

-

I

L

T

T

E

Q

V

-

N

R

P

Y

E

D

A

L

W

Y

P

S

R

A

G

G

L

-

D

-

G

-

M

-

K

E

A

L

V

V

R

R

F

L

D

D

H
|
H

C

F

L

N

L

Q

Y

V

G

T

P

P

E

D

L

V

A

P

A

R

T

G

Y

-

D

R

L

A

F

Y

V

L

N

E

V

D

L

L

G

G

F

F

Y

R

L

V

A

S

E

E

Q

D

V

I

L

K

D

D

G

S

D

D

G

G

T

V

R

T

I

Y

A

A

Q

A

F
x
W

L

M

T

H

L

R

S

K

T

Q

K

T

A

V

H
|
H

D

D

I

T

A

A

F

L

I

T

H

G

H

G

E

N

E

G

K

P

G

-

K

R

F

M

H

H

H
|
H

A

V

S

A

F

F

Y

A

L

T

E

H

T

E

W

K

E

H

D

N

V

I

L

I

R

Q

A

I

A

C

D

D

L

K

I

M

S

G

M

A

T

L

D

R

T

I

S

S

-

D

-

R

I

I

D

E

I
x
R

G

G

P

P

T

G

R

R

H
|
H

G

G

L
x
V

T
x
S

H

N

G

A

K

F

T

Y

I

L

Y
|
Y

F

I

F

L

D

D

P

P

S

D

G

G

N

H

R

R

N

I

E
|
E

V

I

F
x
Y

C

T

G

Q

G

D

D

Y

Y

Y

N

T

Y

G

-

D

P

P

D

D

H

N

K

P

P

T

V

I

T

T

W

W

active site: H152 (= H153), H197 (= H199), H211 (= H214), H245 (= H246), Y254 (= Y255), E264 (= E265)
binding 2-(3,4-dihydroxyphenyl)acetic acid: H152 (= H153), W189 (≠ F191), H197 (= H199), H211 (= H214), R240 (≠ I241), H245 (= H246), V247 (≠ L248), S248 (≠ T249), Y254 (= Y255), E264 (= E265), Y266 (≠ F267)
binding manganese (ii) ion: H152 (= H153), H211 (= H214), E264 (= E265)

Sites not aligning to the query:

binding 2-(3,4-dihydroxyphenyl)acetic acid: 290, 301

1f1uA Crystal structure of homoprotocatechuate 2,3-dioxygenase from arthrobacter globiformis (native, low temperature) (see paper)
26% identity, 91% coverage: 5:282/307 of query aligns to 14:284/322 of 1f1uA

query
sites
1f1uA

V

I

M

V

R

R

P

C

G

A

H

Y

V

M

Q

E

I

I

R

V

V

V

L

T

D

D

M

L

D

A

E

K

A

S

L

R

K

E

H

F

Y

Y

T

V

D

D

L

V

L

L

G

G

L

L

I

H

E

V

T

T

D

E

R

E

D

D

D

E

H

N

G

T

R

-

V

I

Y

Y

L

L

K

R

A

S

W

L

T

E

E

E

V

F

D

I

K

H

F

H

S

N

V

L

V

V

L

L

R

R

P

Q

A

G

D

P

E

I

P

A

G

A

M

V

D

A

F

A

M

F

A

A

F

Y

K

R

V

V

V

K

D

S

E

P

A

A

S

E

L

V

Q

D

Q

A

L

A

E

E

K

A

D

Y

L

Y

A

K

D

E

H

L

G

G

V

C

E

R

V

T

E

E

Q

R

V

R

P

K

E

E

G

G

E

F

L

T

K

K

D

G

C

I

G

G

R

D

R

S

V

V

R

R

F

V

N

E

A

D

P

P

S

L

G

G

H

F

T

P

F

Y

E

E

L

F

Y

F

A

Y

D

E

K

T

K

E

Y

H

T

V

G

E

K

R

W

-

G

-

I

L

T

T

E

Q

V

-

N

R

P

Y

E

D

A

L

W

Y

P

S

R

A

G

G

L

-

D

-

G

-

M

-

K

E

A

L

V

V

R

R

F

L

D

D

H
|
H

C

F

L

N

L

Q

Y

V

G

T

P

P

E

D

L

V

A

P

A

R

T

G

Y

-

D

R

L

A

F

Y

V

L

N

E

V

D

L

L

G

G

F

F

Y

R

L

V

A

S

E

E

Q

D

V

I

L

K

D

D

G

S

D

D

G

G

T

V

R

T

I

Y

A

A

Q

A

F

W

L

M

T

H

L

R

S

K

T

Q

K

T

A

V

H
|
H

D

D

I

T

A

A

F

L

I

T

H

-

H

G

E

G

E

N

K

G

G

P

K

R

F

M

H

H

H
|
H

A

V

S

A

F

F

Y

A

L

T

E

H

T

E

W

K

E

H

D

N

V

I

L

I

R

Q

A

I

A

C

D

D

L

K

I

M

S

G

M

A

T

L

D

R

T

I

S

S

-

D

-

R

I

I

D

E

I

R

G

G

P

P

T

G

R

R

H
|
H

G

G

L

V

T

S

H

N

G

A

K

F

T

Y

I

L

Y
|
Y

F

I

F

L

D

D

P

P

S

D

G

G

N

H

R

R

N

I

E
|
E

V

I

F

Y

C

T

G

Q

G

D

D

Y

Y

Y

N

T

Y

G

-

D

P

P

D

D

H

N

K

P

P

T

V

I

T

T

W

W

active site: H154 (= H153), H199 (= H199), H213 (= H214), H247 (= H246), Y256 (= Y255), E266 (= E265)
binding manganese (ii) ion: H154 (= H153), H213 (= H214), E266 (= E265)

1q0cA Anerobic substrate complex of homoprotocatechuate 2,3-dioxygenase from brevibacterium fuscum. (Complex with 3,4-dihydroxyphenylacetate) (see paper)
23% identity, 91% coverage: 5:284/307 of query aligns to 12:284/319 of 1q0cA

query
sites
1q0cA

V

I

M

L

R

R

P

C

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A

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Y

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A

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E

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A

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A

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K

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Y

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V

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G

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L

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-

E

H

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Y

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A

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E

V

P

A

G

A

M

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F

A

M

M

A

A

F

F

K

R

V

V

V

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T

E

P

A

E

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V

Q

D

Q

K

L

A

E

E

K

A

D

Y

L

Y

A

Q

D

E

H

L

G

G

V

C

E

R

V

T

E

E

Q

R

V

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K

E

D

G

G

E

F

L

V

K

K

D

G

C

I

G

G

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A

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R

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F

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N

E

A

D

P

P

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L

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F

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P

F

Y

E

E

L

F

Y

F

A

F

D

E

K

T

K

T

Y

H

T

V

G

E

K

R

W

-

G

-

I

-

T

L

E

H

V

M

N

R

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Y

E

D

A

L

W

Y

P

S

R

A

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G

L

-

D

-

G

-

M

-

K

E

A

L

V

V

R

R

F

L

D

D

H
|
H

C

F

L
x
N

L

Q

Y

V

G

T

P

P

E

D

L

V

A

P

A

R

T

G

Y

R

D

K

L

-

F

Y

V

L

N

E

V

D

L

L

G

G

F

F

Y

R

L

V

A

T

E

E

Q

D

V

I

L

Q

D

D

G

D

D

E

G

G

T

T

R

T

I

Y

A

A

Q

A

F
x
W

L

M

T

H

L

R

S

K

T

G

K

T

A

V

H
|
H

D

D

I

T

A

A

F

L

I

T

H

-

H

G

E

G

E

N

K

G

G

P

K

R

F

L

H

H

H
|
H

A

V

S

A

F

F

Y

S

L

T

E

H

T

E

W

K

E

H

D

N

V

I

L

I

R

Q

A

I

A

C

D

D

L

K

I

M

S

G

M

A

T

L

D

R

T

I

S

S

-

D

-

R

I

I

D

E

I
x
R

G

G

P

P

T

G

R

R

H
|
H

G

G

L
x
V

T
x
S

H

N

G

A

K

F

T

Y

I

L

Y
|
Y

F

I

F

L

D

D

P

P

S

D

G

N

N

H

R

R

N

I

E
|
E

V

I

F
x
Y

C

T

G

Q

G

D

D

Y

Y

Y

N

T

Y

G

-

D

P

P

D

D

H

N

K

P

P

T

V

I

T

T

W

W

Q

N

A

V

active site: H152 (= H153), H197 (= H199), H211 (= H214), H245 (= H246), Y254 (= Y255), E264 (= E265)
binding 2-(3,4-dihydroxyphenyl)acetic acid: H152 (= H153), N154 (≠ L155), W189 (≠ F191), H197 (= H199), H211 (= H214), R240 (≠ I241), H245 (= H246), V247 (≠ L248), S248 (≠ T249), Y254 (= Y255), E264 (= E265), Y266 (≠ F267)
binding fe (iii) ion: H152 (= H153), H211 (= H214), E264 (= E265)

Sites not aligning to the query:

binding 2-(3,4-dihydroxyphenyl)acetic acid: 290, 301

1f1xA Crystal structure of homoprotocatechuate 2,3-dioxygenase from brevibacterium fuscum (see paper)
23% identity, 91% coverage: 5:284/307 of query aligns to 12:284/319 of 1f1xA

query
sites
1f1xA

V

I

M

L

R

R

P

C

G

A

H

Y

V

A

Q

E

I

L

R

V

V

V

L

T

D

D

M

L

D

A

E

K

A

S

L

R

K

N

H

F

Y

Y

T

V

D

D

L

V

L

L

G

G

L

L

I

-

E

H

T

V

D

S

R

Y

D

E

D

D

H

E

G

N

R

Q

V

I

Y

Y

L

L

K

R

A

S

W

F

T

E

E

E

V

F

D

I

K

H

F

H

S

N

V

L

V

V

L

L

R

T

P

K

A

G

D

P

E

V

P

A

G

A

M

L

D

K

F

A

M

M

A

A

F

F

K

R

V

V

V

R

D

T

E

P

A

E

S

D

L

V

Q

D

Q

K

L

A

E

E

K

A

D

Y

L

Y

A

Q

D

E

H

L

G

G

V

C

E

R

V

T

E

E

Q

R

V

R

P

K

E

D

G

G

E

F

L

V

K

K

D

G

C

I

G

G

R

D

R

A

V

L

R

R

F

V

N

E

A

D

P

P

S

L

G

G

H

F

T

P

F

Y

E

E

L

F

Y

F

A

F

D

E

K

T

K

T

Y

H

T

V

G

E

K

R

W

-

G

-

I

-

T

L

E

H

V

M

N

R

P

Y

E

D

A

L

W

Y

P

S

R

A

G

G

L

-

D

-

G

-

M

-

K

E

A

L

V

V

R

R

F

L

D

D

H
|
H

C

F

L
x
N

L

Q

Y

V

G

T

P

P

E

D

L

V

A

P

A

R

T

G

Y

R

D

K

L

-

F

Y

V

L

N

E

V

D

L

L

G

G

F

F

Y

R

L

V

A

T

E

E

Q

D

V

I

L

Q

D

D

G

D

D

E

G

G

T

T

R

T

I

Y

A

A

Q

A

F
x
W

L

M

T

H

L

R

S

K

T

G

K

T

A

V

H
|
H

D

D

I

T

A

A

F

L

I

T

H

-

H

G

E

G

E

N

K

G

G

P

K

R

F

L

H

H

H
|
H

A

V

S

A

F

F

Y

S

L

T

E

H

T

E

W

K

E

H

D

N

V

I

L

I

R

Q

A

I

A

C

D

D

L

K

I

M

S

G

M

A

T

L

D

R

T

I

S

S

-

D

-

R

I

I

D

E

I

R

G

G

P

P

T

G

R

R

H
|
H

G

G

L

V

T

S

H

N

G

A

K

F

T

Y

I

L

Y
|
Y

F

I

F

L

D

D

P

P

S

D

G

N

N

H

R

R

N

I

E
|
E

V

I

F

Y

C

T

G

Q

G

D

D

Y

Y

Y

N

T

Y

G

-

D

P

P

D

D

H

N

K

P

P

T

V

I

T

T

W

W

Q

N

A

V

active site: H152 (= H153), H197 (= H199), H211 (= H214), H245 (= H246), Y254 (= Y255), E264 (= E265)
binding hydrated fe: H152 (= H153), N154 (≠ L155), W189 (≠ F191), H197 (= H199), H211 (= H214), H245 (= H246), Y254 (= Y255), E264 (= E265)

3eckC Structure of e323l homoprotocatechuate 2,3-dioxygenase from brevibacterium fuscum in complex with putative o-o bond cleavage intermediate formed via in crystallo reaction with 4-sulfonyl catechol at low oxygen concentrations (see paper)
23% identity, 91% coverage: 5:284/307 of query aligns to 12:284/359 of 3eckC

query
sites
3eckC

V

I

M

L

R

R

P

C

G

A

H

Y

V

A

Q

E

I

L

R

V

V

V

L

T

D

D

M

L

D

A

E

K

A

S

L

R

K

N

H

F

Y

Y

T

V

D

D

L

V

L

L

G

G

L

L

I

-

E

H

T

V

D

S

R

Y

D

E

D

D

H

E

G

N

R

Q

V

I

Y

Y

L

L

K

R

A

S

W

F

T

E

E

E

V

F

D

I

K

H

F

H

S

N

V

L

V

V

L

L

R

T

P

K

A

G

D

P

E

V

P

A

G

A

M

L

D

K

F

A

M

M

A

A

F

F

K

R

V

V

V

R

D

T

E

P

A

E

S

D

L

V

Q

D

Q

K

L

A

E

E

K

A

D

Y

L

Y

A

Q

D

E

H

L

G

G

V

C

E

R

V

T

E

E

Q

R

V

R

P

K

E

D

G

G

E

F

L

V

K

K

D

G

C

I

G

G

R

D

R

A

V

L

R

R

F

V

N

E

A

D

P

P

S

L

G

G

H

F

T

P

F

Y

E

E

L

F

Y

F

A

F

D

E

K

T

K

T

Y

H

T

V

G

E

K

R

W

-

G

-

I

-

T

L

E

H

V

M

N

R

P

Y

E

D

A

L

W

Y

P

S

R

A

G

G

L

-

D

-

G

-

M

-

K

E

A

L

V

V

R

R

F

L

D

D

H
|
H

C

F

L
x
N

L

Q

Y

V

G

T

P

P

E

D

L

V

A

P

A

R

T

G

Y

R

D

K

L

-

F

Y

V

L

N

E

V

D

L

L

G

G

F

F

Y

R

L

V

A

T

E

E

Q

D

V

I

L

Q

D

D

G

D

D

E

G

G

T

T

R

T

I

Y

A

A

Q

A

F
x
W

L

M

T

H

L

R

S

K

T

G

K

T

A

V

H
|
H

D

D

I

T

A

A

F

L

I

T

H

G

H

G

E

N

E

G

K

P

G

-

K

R

F

L

H

H

H
|
H

A

V

S

A

F

F

Y

S

L

T

E

H

T

E

W

K

E

H

D

N

V

I

L

I

R

Q

A

I

A

C

D

D

L

K

I

M

S

G

M

A

T

L

D

R

T

I

S

S

-

D

-

R

I

I

D

E

I
x
R

G

G

P

P

T

G

R

R

H
|
H

G

G

L
x
V

T
x
S

H

N

G

A

K

F

T

Y

I

L

Y
|
Y

F

I

F

L

D

D

P

P

S

D

G

N

N

H

R

R

N

I

E
|
E

V

I

F
x
Y

C

T

G

Q

G

D

D

Y

Y

Y

N

T

Y

G

-

D

P

P

D

D

H

N

K

P

P

T

V

I

T

T

W

W

Q

N

A

V

active site: H152 (= H153), H197 (= H199), H211 (= H214), H245 (= H246), Y254 (= Y255), E264 (= E265)
binding fe (ii) ion: H152 (= H153), H211 (= H214), E264 (= E265)
binding 3,3-dihydroxy-4-oxocyclohexa-1,5-diene-1-sulfonic acid: H152 (= H153), N154 (≠ L155), W189 (≠ F191), H197 (= H199), H211 (= H214), R240 (≠ I241), H245 (= H246), V247 (≠ L248), S248 (≠ T249), Y254 (= Y255), E264 (= E265), Y266 (≠ F267)

Sites not aligning to the query:

binding 3,3-dihydroxy-4-oxocyclohexa-1,5-diene-1-sulfonic acid: 289, 290

3bzaA Structure of mn-substituted homoprotocatechuate 2,3-dioxygenase from b.Fuscum at 1.7 ang resolution (see paper)
23% identity, 91% coverage: 5:284/307 of query aligns to 12:284/359 of 3bzaA

query
sites
3bzaA

V

I

M

L

R

R

P

C

G

A

H

Y

V

A

Q

E

I

L

R

V

V

V

L

T

D

D

M

L

D

A

E

K

A

S

L

R

K

N

H

F

Y

Y

T

V

D

D

L

V

L

L

G

G

L

L

I

-

E

H

T

V

D

S

R

Y

D

E

D

D

H

E

G

N

R

Q

V

I

Y

Y

L

L

K

R

A

S

W

F

T

E

E

E

V

F

D

I

K

H

F

H

S

N

V

L

V

V

L

L

R

T

P

K

A

G

D

P

E

V

P

A

G

A

M

L

D

K

F

A

M

M

A

A

F

F

K

R

V

V

V

R

D

T

E

P

A

E

S

D

L

V

Q

D

Q

K

L

A

E

E

K

A

D

Y

L

Y

A

Q

D

E

H

L

G

G

V

C

E

R

V

T

E

E

Q

R

V

R

P

K

E

D

G

G

E

F

L

V

K

K

D

G

C

I

G

G

R

D

R

A

V

L

R

R

F

V

N

E

A

D

P

P

S

L

G

G

H

F

T

P

F

Y

E

E

L

F

Y

F

A

F

D

E

K

T

K

T

Y

H

T

V

G

E

K

R

W

-

G

-

I

-

T

L

E

H

V

M

N

R

P

Y

E

D

A

L

W

Y

P

S

R

A

G

G

L

-

D

-

G

-

M

-

K

E

A

L

V

V

R

R

F

L

D

D

H
|
H

C

F

L

N

L

Q

Y

V

G

T

P

P

E

D

L

V

A

P

A

R

T

G

Y

R

D

K

L

-

F

Y

V

L

N

E

V

D

L

L

G

G

F

F

Y

R

L

V

A

T

E

E

Q

D

V

I

L

Q

D

D

G

D

D

E

G

G

T

T

R

T

I

Y

A

A

Q

A

F

W

L

M

T

H

L

R

S

K

T

G

K

T

A

V

H
|
H

D

D

I

T

A

A

F

L

I

T

H

G

H

G

E

N

E

G

K

P

G

-

K

R

F

L

H

H

H
|
H

A

V

S

A

F

F

Y

S

L

T

E

H

T

E

W

K

E

H

D

N

V

I

L

I

R

Q

A

I

A

C

D

D

L

K

I

M

S

G

M

A

T

L

D

R

T

I

S

S

-

D

-

R

I

I

D

E

I

R

G

G

P

P

T

G

R

R

H
|
H

G

G

L

V

T

S

H

N

G

A

K

F

T

Y

I

L

Y
|
Y

F

I

F

L

D

D

P

P

S

D

G

N

N

H

R

R

N

I

E
|
E

V

I

F

Y

C

T

G

Q

G

D

D

Y

Y

Y

N

T

Y

G

-

D

P

P

D

D

H

N

K

P

P

T

V

I

T

T

W

W

Q

N

A

V

active site: H152 (= H153), H197 (= H199), H211 (= H214), H245 (= H246), Y254 (= Y255), E264 (= E265)
binding manganese (ii) ion: H152 (= H153), H211 (= H214), E264 (= E265)

2igaC Structure of homoprotocatechuate 2,3-dioxygenase from b. Fuscum in complex with reactive intermediates formed via in crystallo reaction with 4-nitrocatechol at low oxygen concentrations. (see paper)
23% identity, 91% coverage: 5:284/307 of query aligns to 12:284/359 of 2igaC

query
sites
2igaC

V

I

M

L

R

R

P

C

G

A

H

Y

V

A

Q

E

I

L

R

V

V

V

L

T

D

D

M

L

D

A

E

K

A

S

L

R

K

N

H

F

Y

Y

T

V

D

D

L

V

L

L

G

G

L

L

I

-

E

H

T

V

D

S

R

Y

D

E

D

D

H

E

G

N

R

Q

V

I

Y

Y

L

L

K

R

A

S

W

F

T

E

E

E

V

F

D

I

K

H

F

H

S

N

V

L

V

V

L

L

R

T

P

K

A

G

D

P

E

V

P

A

G

A

M

L

D

K

F

A

M

M

A

A

F

F

K

R

V

V

V

R

D

T

E

P

A

E

S

D

L

V

Q

D

Q

K

L

A

E

E

K

A

D

Y

L

Y

A

Q

D

E

H

L

G

G

V

C

E

R

V

T

E

E

Q

R

V

R

P

K

E

D

G

G

E

F

L

V

K

K

D

G

C

I

G

G

R

D

R

A

V

L

R

R

F

V

N

E

A

D

P

P

S

L

G

G

H

F

T

P

F

Y

E

E

L

F

Y

F

A

F

D

E

K

T

K

T

Y

H

T

V

G

E

K

R

W

-

G

-

I

-

T

L

E

H

V

M

N

R

P

Y

E

D

A

L

W

Y

P

S

R

A

G

G

L

-

D

-

G

-

M

-

K

E

A

L

V

V

R

R

F

L

D

D

H
|
H

C

F

L
x
N

L

Q

Y

V

G

T

P

P

E

D

L

V

A

P

A

R

T

G

Y

R

D

K

L

-

F

Y

V

L

N

E

V

D

L

L

G

G

F

F

Y

R

L

V

A

T

E

E

Q

D

V

I

L

Q

D

D

G

D

D

E

G

G

T

T

R

T

I

Y

A

A

Q

A

F
x
W

L

M

T

H

L

R

S

K

T

G

K

T

A

V

H
|
H

D

D

I

T

A
|
A

F

L

I

T

H

G

H

G

E

N

E

G

K

P

G

-

K

R

F

L

H

H

H
|
H

A

V

S

A

F

F

Y

S

L

T

E

H

T

E

W

K

E

H

D

N

V

I

L

I

R

Q

A

I

A

C

D

D

L

K

I

M

S

G

M

A

T

L

D

R

T

I

S

S

-

D

-

R

I

I

D

E

I
x
R

G

G

P

P

T

G

R

R

H
|
H

G

G

L
x
V

T
x
S

H

N

G

A

K

F

T

Y

I

L

Y
|
Y

F

I

F

L

D

D

P

P

S

D

G

N

N

H

R

R

N

I