SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 15920 FitnessBrowser__Keio:15920 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)

D0C9N6 Carnitine monooxygenase oxygenase subunit; Carnitine monooxygenase alpha subunit; EC 1.14.13.239 from Acinetobacter baumannii (strain ATCC 19606 / DSM 30007 / JCM 6841 / CCUG 19606 / CIP 70.34 / NBRC 109757 / NCIMB 12457 / NCTC 12156 / 81) (see paper)
74% identity, 97% coverage: 10:370/374 of query aligns to 7:368/371 of D0C9N6

query
sites
D0C9N6

L

L

P

P

E

E

N

D

F

F

C

C

A

A

N

N

P

P

Q

D

E

V

A

A

W

W

T

T

I

F

P

P

A

K

R

V

F

F

Y

Y

T

T

D

S

Q

S

N

Q

A

V

F

F

E

E

H

H

E

E

K

K

E

E

N

A

V

I

F

F

A

A

K

K

S

S

W

W

I

I

C

C

V

V

A

A

H

H

S

S

E

E

L

L

A

A

N

Q

A

P

N

N

D

D

Y

Y

V

I

T

T

R

R

E

K

I

V

I

I

G

G

E

E

S

N

I

I

V

V

L

I

V

I

R

R

G

G

R

K

D

D

K

S

V

V

L

L

R

R

A

A

F

F

Y

Y

N

N

V

V

C

C

P

P

H

H

R

R

G

G

H

H

Q

E

L

L

S

S

G

G

E

S

G

G

K

K

A

A

K

K

N

N

V

V

I

I

T

T

C

C

P

P

Y

Y

H

H

A

A

W

W

A

T

F

F

K

K

L

L

D

D

G

G

N

S

L

L

A

A

H

L

A

A

R

R

N

N

C

C

E

D

N

H

V

V

A

E

N

S

F

F

D

D

S

K

D

E

K

N

A

S

Q

S

L

M

V

V

P

P

V

L

R

K

L

V

E

E

Y

Y

A

A

G

G

F

F

V

L

F

F

I

I

N

N

M

M

D

D

P

E

N

N

A

A

T

T

S

C

V

V

E

E

D

D

Q

Q

L

L

P

P

G

G

L

F

G

A

A

E

K

R

V

L

L

N

E

Q

A

A

C

C

P

G

E

V

V

I

H

K

D

D

L

L

K

K

L

L

A

A

R

R

F

F

T

V

T

T

R

E

T

T

P

P

A

A

N

N

W

W

K

K

N

V

I

I

V

V

D

D

N

N

Y

Y

L

M

E
|
E

C

C

Y

Y

H

H

C

C

G

G

P

P

A

A

H

H

P

P

G

G

F

F

S

A

D

D

S

S

V

V

Q

Q

V

V

D

D

R

K

Y

Y

W

W

H

H

T

T

M

T

H

H

G

Q

N

N

W

W

T

T

L

L

Q

Q

Y

Y

G

G

F

F

A

A

K

R

P

S

S

S

E

E

Q

K

S

S

F

F

K

K

F

L

E

D

E

P

G

S

-

V

T

T

D

D

A

P

A

E

F

F

H

H

G

G

F

F

W

W

L

T

W

W

P

P

C

C

T

T

M

M

L

F

N

N

V

V

T

P

P

P

I

G

K

S

G

N

M

F

M

M

T

T

V

V

I

I

Y

Y

E

E

F

F

P

P

V

V

D

D

S

A

E

E

T

T

L

L

Q

Q

N

H

Y

Y

D

D

I

I

Y

Y

F

F

T

T

N

N

E

E

L

L

T

T

D

Q

E

D

Q

Q

K

K

S

D

L

L

I

I

E

E

W

W

Y

Y

R

R

D

N

V

V

F

F

R

R

P

P

E

E

D

D

L

L

R

N

L

L

V

V

E

E

S

S

V

V

Q

Q

K

R

G

G

L

L

K

K

S

S

R

R

G

G

Y

Y

R

R

G

G

Q

Q

G

G

R

R

I

I

M

M

A

T

D

D

S

K

S

Q

G

R

S

S

G

G

I

I

S

S

E

E

H

H

G

G

I

I

A

A

H

Y

F

F

H

Q

N

H

L

L

L

V

A

A

Q

Q

E205 (= E208) mutation E->A,D: Loss of activity.

6y9cA The structure of a quaternary ammonium rieske monooxygenase reveals insights into carnitine oxidation by gut microbiota and inter-subunit electron transfer (see paper)
74% identity, 97% coverage: 10:370/374 of query aligns to 5:362/365 of 6y9cA

query
sites
6y9cA

L

L

P

P

E

E

N

D

F

F

C

C

A

A

N

N

P

P

Q

D

E

V

A

A

W

W

T

T

I

F

P

P

A

K

R

V

F

F

Y

Y

T

T

D

S

Q

S

N

Q

A

V

F

F

E

E

H

H

E

E

K

K

E

E

N

A

V

I

F

F

A

A

K

K

S

S

W

W

I

I

C

C

V

V

A

A

H

H

S

G

S

S

E

E

L

L

A

A

N

Q

A

P

N

N

D

D

Y

Y

V

I

T

T

R

R

E

K

I

V

I

I

G

G

E

E

S

N

I

I

V

V

L

I

V

I

R

R

G

G

R

K

D

D

K

S

V

V

L

L

R

R

A

A

F

F

Y

Y

N

N

V

V

C
|
C

P

P

H
|
H

R
|
R

G

G

H
|
H

Q

E

L

L

S

S

G

G

E

S

G

G

K

K

A

A

K

K

N

N

V

V

I

I

T

T

C
|
C

P

P

Y
|
Y

H
|
H

A

A

W
|
W

A

T

F

F

K

K

L

L

D

D

G

G

N

S

L

L

A

A

H

L

A

A

R

R

N

N

C

C

E

D

N

H

V

V

A

E

N

S

F

F

D

D

S

K

D

E

K

N

A

S

Q

S

L

M

V

V

P

P

V

L

R

K

L

V

E

E

Y

Y

A

A

G

G

F

F

V

V

F

F

I

I

N

N

M

M

D

D

P

E

N

N

A

A

T

T

S

C

V

V

E

E

D

D

Q

Q

L

L

P

P

G

G

L

F

G

A

A

E

K

R

V

L

L

N

E

Q

A

A

C

C

P

G

E

V

V

I

H

K

D

D

L

L

K

K

L

L

A

A

R

R

F

F

T

V

T

T

R

E

T

T

P

P

A

A

N

N

W

W

K

K

N

V

I

I

V

V

D

D

N

N

Y
|
Y

L

M

E
|
E

C

C

Y

Y

H
|
H

C

A

G

G

P

P

A

A

H
|
H

P

P

G

G

F

F

S

A

D

D

S

S

V

V

Q

Q

V

V

D

D

R

K

Y
|
Y

W

W

H

H

T

T

M

T

H

H

G

Q

N

N

W

W

T

T

L

L

Q
|
Q

Y

Y

G

G

F

F

A

A

K

R

P

S

S

S

E

E

Q

K

S

S

F

F

K

K

F

L

E

-

G

-

T

T

D

D

A

P

A

E

F
|
F

H

H

G

G

F

F

W

W

L

T

W

W

P

P

C

C

T

T

M

M

L

F

N
|
N

V

V

T

P

P

P

I

G

K

S

G

N

M

F

M

M

T

T

V

V

I

I

Y

Y

E

E

F

F

P

P

V

V

D

D

S

A

E

E

T

T

L

L

Q

Q

N

H

Y
|
Y

D

D

I

I

Y

Y

F

F

T

T

N

N

E

E

L

L

T

T

D

Q

E

D

Q

Q

K

K

S

D

L

L

I

I

E

E

W

W

Y

Y

R

R

D

N

V

V

F
|
F

R

R

P

P

E

E

D
|
D

L

L

R

N

L

L

V

V

E

E

S

S

V

V

Q

Q

K

R

G

G

L

L

K

K

S

S

R

R

G

G

Y

Y

R

R

G

G

Q

Q

G

G

R

R

I

I

M

M

A

T

D

D

S

K

S

Q

G

R

S

S

G

G

I

I

S

S

E

E

H

H

G

G

I

I

A

A

H

Y

F

F

H

Q

N

H

L

L

L

V

A

A

Q

Q

active site: H107 (= H112), E203 (= E208), H206 (= H211), H211 (= H216)
binding carnitine: Y201 (= Y206), E203 (= E208), Y223 (= Y228), Q234 (= Q239), F252 (= F260), N264 (= N272), Y289 (= Y297), F313 (= F321)
binding fe (iii) ion: H206 (= H211), H211 (= H216), D317 (= D325)
binding fe2/s2 (inorganic) cluster: C84 (= C89), H86 (= H91), R87 (= R92), H89 (= H94), C104 (= C109), Y106 (= Y111), H107 (= H112), W109 (= W114)

6zgpA Crystal structure of the quaternary ammonium rieske monooxygenase cnta in complex with inhibitor mmv12 (mmv020670) (see paper)
73% identity, 97% coverage: 10:370/374 of query aligns to 5:357/360 of 6zgpA

query
sites
6zgpA

L

L

P

P

E

E

N

D

F

F

C

C

A

A

N

N

P

P

Q

D

E

V

A

A

W

W

T

T

I

F

P

P

A

K

R

V

F

F

Y

Y

T

T

D

S

Q

S

N

Q

A

V

F

F

E

E

H

H

E

E

K

K

E

E

N

A

V

I

F

F

A

A

K

K

S

S

W

W

I

I

C

C

V

V

A

A

H

H

S

G

S

S

E

E

L

L

A

A

N

Q

A

P

N

N

D

D

Y

Y

V

I

T

T

R

R

E

K

I

V

I

I

G

G

E

E

S

N

I

I

V

V

L

I

V

I

R

R

G

G

R

K

D

D

K

S

V

V

L

L

R

R

A

A

F

F

Y

Y

N

N

V

V

C
|
C

P

P

H
|
H

R
|
R

G

G

H
|
H

Q

E

L

L

S

S

G

G

E

S

G

G

K

K

A

A

K

K

N

N

V

V

I

I

T

T

C
|
C

P

P

Y
|
Y

H
|
H

A

A

W
|
W

A

T

F

F

K

K

L

L

D

D

G

G

N

S

L

L

A

A

H

L

A

A

R

R

N

N

C

C

E

D

N

H

V

V

A

E

N

S

F

F

D

D

S

K

D

E

K

N

A

S

Q

S

L

M

V

V

P

P

V

L

R

K

L

V

E

E

Y

Y

A

A

G

G

F

F

V

V

F

F

I

I

N

N

M

M

D

D

P

E

N

N

A

A

T

T

S

C

V

V

E

E

D

D

Q

Q

L

L

P

P

G

G

L

F

G

A

A

E

K

R

V

L

L

N

E

Q

A

A

C

C

P

G

E

V

V

I

H

K

D

D

L

L

K

K

L

L

A

A

R

R

F

F

T

V

T

T

R

E

T

T

P

P

A

A

N

N

W

W

K

K

N

V

I

I

V

V

D

D

N

N

Y
|
Y

L

M

E
|
E

C
|
C

Y

Y

H
|
H

C

C

G

G

P

P

A

A

H
|
H

P

P

G

G

F
|
F

S

A

D

D

S

S

V

V

Q

Q

V

V

D

D

R

K

Y
|
Y

W

W

H

H

T

T

M

T

H

H

G

Q

N

N

W

W

T

T

L

L

Q
|
Q

Y

Y

G

G

F

F

A

A

K

R

P

S

S

S

E

V

Q

-

S

-

F

-

K

-

F

-

E

-

G

-

T

T

D

D

A

P

A

E

F
|
F

H
|
H

G
|
G

F

F

W

W

L

T

W

W

P

P

C

C

T

T

M

M

L

F

N
|
N

V
|
V

T
x
P

P
|
P

I

G

K

S

G

N

M

F

M

M

T
|
T

V

V

I

I

Y

Y

E

E

F

F

P

P

V

V

D

D

S

A

E

E

T

T

L

L

Q

Q

N

H

Y
|
Y

D

D

I

I

Y

Y

F

F

T

T

N

N

E

E

L

L

T

T

D

Q

E

D

Q

Q

K

K

S

D

L

L

I

I

E

E

W

W

Y
|
Y

R

R

D

N

V

V

F
|
F

R

R

P

P

E

E

D
|
D

L

L

R

N

L

L

V

V

E

E

S

S

V

V

Q

Q

K

R

G

G

L

L

K

K

S

S

R

R

G

G

Y

Y

R

R

G

G

Q

Q

G

G

R

R

I

I

M

M

A

T

D

D

S

K

S

Q

G

R

S

S

G

G

I

I

S

S

E

E

H

H

G

G

I

I

A

A

H

Y

F

F

H

Q

N

H

L

L

L

V

A

A

Q

Q

active site: H107 (= H112), E203 (= E208), H206 (= H211), H211 (= H216)
binding fe (iii) ion: H206 (= H211), H211 (= H216), D312 (= D325)
binding fe2/s2 (inorganic) cluster: C84 (= C89), H86 (= H91), R87 (= R92), H89 (= H94), C104 (= C109), Y106 (= Y111), H107 (= H112), W109 (= W114)
binding ~{N}-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide: Y201 (= Y206), C204 (= C209), H211 (= H216), F214 (= F219), Y223 (= Y228), Q234 (= Q239), F247 (= F260), H248 (= H261), G249 (= G262), N259 (= N272), V260 (= V273), P261 (≠ T274), P262 (= P275), T268 (= T281), Y284 (= Y297), Y304 (= Y317), F308 (= F321), D312 (= D325)

6y8sA Crystal structure of the quaternary ammonium rieske monooxygenase cnta in complex with substrate gamma-butyrobetaine (see paper)
71% identity, 97% coverage: 10:370/374 of query aligns to 4:345/348 of 6y8sA

query
sites
6y8sA

L

L

P

P

E

E

N

D

F

F

C

C

A

A

N

N

P

P

Q

D

E

V

A

A

W
|
W

T

T

I

F

P

P

A

K

R

V

F

F

Y

Y

T

T

D

S

Q

S

N

Q

A

V

F

F

E

E

H

H

E

E

K

K

E

E

N

A

V

I

F

F

A

A

K

K

S

S

W

W

I

I

C

C

V

V

A

A

H

H

S

G

S

S

E

E

L

L

A

A

N

Q

A

P

N

N

D

D

Y

Y

V

I

T

T

R

R

E

K

I

V

I

I

G

G

E

E

S

N

I

I

V

V

L

I

V

I

R

R

G

G

R

K

D

D

K

S

V

V

L

L

R

R

A

A

F

F

Y

Y

N

N

V

V

C
|
C

P

P

H
|
H

R
|
R

G

G

H
|
H

Q

E

L

L

S

S

G

G

E

S

G

G

K

K

A

A

K

K

N

N

V

V

I

I

T

T

C
|
C

P

P

Y
|
Y

H
|
H

A

A

W
|
W

A

T

F

F

K

K

L

L

D

D

G

G

N

S

L

L

A

A

H

L

A

A

R

R

N

N

C

C

E

D

N

H

V

V

A

E

N

S

F

F

D

D

S

K

D

E

K

N

A

S

Q

S

L

M

V

V

P

P

V

L

R

K

L

V

E

E

Y

Y

A

A

G

G

F

F

V

V

F

F

I

I

N

N

M

M

D

D

P

E

N

N

A

A

T

T

S

C

V

V

E

E

D

D

Q

Q

L

L

P

P

G

G

L

F

G

A

A

E

K

R

V

L

L

N

E

Q

A

A

C

C

P

G

E

V

V

I

H

K

D

D

L

L

K

K

L

L

A

A

R

R

F

F

T

V

T

T

R

E

T

T

P

P

A

A

N

N

W

W

K

K

N

V

I

I

V

V

D

D

N

N

Y
|
Y

L

M

E
|
E

C
|
C

Y

Y

H
|
H

C

C

G

G

P

P

A

A

H
|
H

P

P

G

-

F

-

S

-

D

-

S

-

V

-

Q

-

V

V

D

D

R

K

Y
|
Y

W

W

H

H

T

T

M

T

H

H

G

Q

N

N

W

W

T

T

L

L

Q
|
Q

Y

Y

G

G

F

F

A

A

K

-

P

-

S

-

E

-

Q

-

S

-

F

-

K

-

F

-

E

-

G

-

T

T

D

D

A

P

A

E

F

F

H

H

G

G

F

F

W

W

L

T

W

W

P

P

C

C

T

T

M

M

L

F

N
|
N

V

V

T

P

P

P

I

G

K

S

G

N

M

F

M

M

T

T

V

V

I
|
I

Y

Y

E

E

F

F

P

P

V

V

D

D

S

A

E

E

T

T

L

L

Q

Q

N

H

Y
|
Y

D

D

I

I

Y

Y

F

F

T

T

N

N

E

E

L

L

T

T

D

Q

E

D

Q

Q

K

K

S

D

L

L

I

I

E

E

W

W

Y

Y

R

R

D

N

V

V

F
|
F

R

R

P

P

E

E

D
|
D

L

L

R

N

L

L

V

V

E

E

S

S

V

V

Q

Q

K

R

G

G

L

L

K

K

S

S

R

R

G

G

Y

Y

R

R

G

G

Q
|
Q

G

G

R

R

I

I

M

M

A

T

D

D

S

K

S

Q

G

R

S

S

G

G

I

I

S

S

E

E

H

H

G

G

I

I

A

A

H

Y

F

F

H

Q

N

H

L

L

L

V

A

A

Q

Q

active site: H106 (= H112), E202 (= E208), H205 (= H211), H210 (= H216)
binding fe (iii) ion: H205 (= H211), H210 (= H216), D300 (= D325)
binding fe2/s2 (inorganic) cluster: C83 (= C89), H85 (= H91), R86 (= R92), H88 (= H94), C103 (= C109), Y105 (= Y111), H106 (= H112), W108 (= W114)
binding 3-carboxy-n,n,n-trimethylpropan-1-aminium: W16 (= W22), Y200 (= Y206), C203 (= C209), Y215 (= Y228), Q226 (= Q239), N247 (= N272), I258 (= I283), Y272 (= Y297), F296 (= F321), Q319 (= Q344)

6y8jA Crystal structure of the apo form of a quaternary ammonium rieske monooxygenase cnta (see paper)
70% identity, 97% coverage: 10:370/374 of query aligns to 4:340/343 of 6y8jA

query
sites
6y8jA

L

L

P

P

E

E

N

D

F

F

C

C

A

A

N

N

P

P

Q

D

E

V

A

A

W

W

T

T

I

F

P

P

A

K

R

V

F

F

Y

Y

T

T

D

S

Q

S

N

Q

A

V

F

F

E

E

H

H

E

E

K

K

E

E

N

A

V

I

F

F

A

A

K

K

S

S

W

W

I

I

C

C

V

V

A

A

H

H

S

G

S

S

E

E

L

L

A

A

N

Q

A

P

N

N

D

D

Y

Y

V

I

T

T

R

R

E

K

I

V

I

I

G

G

E

E

S

N

I

I

V

V

L

I

V

I

R

R

G

G

R

K

D

D

K

S

V

V

L

L

R

R

A

A

F

F

Y

Y

N

N

V

V

C
|
C

P

P

H
|
H

R
|
R

G

G

H
|
H

Q

E

L

L

S

S

G

G

E

S

G

G

K

K

A

A

K

K

N

N

V

V

I

I

T

T

C
|
C

P

P

Y
|
Y

H
|
H

A

A

W
|
W

A

T

F

F

K

K

L

L

D

D

G

G

N

S

L

L

A

A

H

L

A

A

R

R

N

N

C

C

E

D

N

H

V

V

A

E

N

S

F

F

D

D

S

K

D

E

K

N

A

S

Q

S

L

M

V

V

P

P

V

L

R

K

L

V

E

E

Y

Y

A

A

G

G

F

F

V

V

F

F

I

I

N

N

M

M

D

D

P

E

N

N

A

A

T

T

S

C

V

V

E

E

D

D

Q

Q

L

L

P

P

G

G

L

F

G

A

A

E

K

R

V

L

L

N

E

Q

A

A

C

C

P

G

E

V

V

I

H

K

D

D

L

L

K

K

L

L

A

A

R

R

F

F

T

V

T

T

R

E

T

T

P

P

A

A

N

N

W

W

K

K

N

V

I

I

V

V

D

D

N

N

Y

Y

L

M

E
|
E

C

C

Y

Y

H
|
H

C

C

G

G

P

P

A

A

H
|
H

P

-

G

-

F

-

S

-

D

-

S

-

V

-

Q

-

V

-

D

-

R

K

Y

Y

W

W

H

H

T

T

M

T

H

H

G

Q

N

N

W

W

T

T

L

L

Q

Q

Y

Y

G

G

F

F

A

A

K

-

P

-

S

-

E

-

Q

-

S

-

F

-

K

-

F

-

E

-

G

-

T

-

D

-

A

P

A

E

F

F

H

H

G

G

F

F

W

W

L

T

W

W

P

P

C

C

T

T

M

M

L

F

N

N

V

V

T

P

P

P

I

G

K

S

G

N

M

F

M

M

T

T

V

V

I

I

Y

Y

E

E

F

F

P

P

V

V

D

D

S

A

E

E

T

T

L

L

Q

Q

N

H

Y

Y

D

D

I

I

Y

Y

F

F

T

T

N

N

E

E

L

L

T

T

D

Q

E

D

Q

Q

K

K

S

D

L

L

I

I

E

E

W

W

Y

Y

R

R

D

N

V

V

F

F

R

R

P

P

E

E

D

D

L

L

R

N

L

L

V

V

E

E

S

S

V

V

Q

Q

K

R

G

G

L

L

K

K

S

S

R

R

G

G

Y

Y

R

R

G

G

Q

Q

G

G

R

R

I

I

M

M

A

T

D

D

S

K

S

Q

G

R

S

S

G

G

I

I

S

S

E

E

H

H

G

G

I

I

A

A

H

Y

F

F

H

Q

N

H

L

L

L

V

A

A

Q

Q

active site: H106 (= H112), E202 (= E208), H205 (= H211), H210 (= H216)
binding fe2/s2 (inorganic) cluster: C83 (= C89), H85 (= H91), R86 (= R92), H88 (= H94), C103 (= C109), Y105 (= Y111), H106 (= H112), W108 (= W114)

3n0qA Crystal structure of a putative aromatic-ring hydroxylating dioxygenase (tm1040_3219) from silicibacter sp. Tm1040 at 1.80 a resolution
32% identity, 57% coverage: 14:226/374 of query aligns to 8:216/402 of 3n0qA

query
sites
3n0qA

F

L

C

I

A

A

N

N

P

H

Q

R

E

A

A

G

W

H

T

A

I

L

P

D

A

Q

R

A

F

F

Y

Y

T

T

D

D

Q

A

N

E

A

V

F

F

E

Q

H

T

E

D

K

L

E

Q

N

E

V

I

F

F

A

Y

K

K

S

E

W

W

I

L

C

F

V

A

A

I

H

P

S

A

S

C

E

E

L

L

A

D

N

K

A

P

N

G

D

S

Y

Y

V

V

T

T

R

H

E

Q

I

V

I

G

G

N

E

Y

S

N

I

V

V

I

L

I

V

V

R

R

G

G

R

A

D

D

K

N

V

V

L

I

R

R

A

A

F

F

Y

H

N

N

V

A

C
|
C

P

R

H
|
H

R
|
R

G

G

H
x
S

Q

V

L

I

L

C

S

K

G

A

E

K

G

K

K

G

A

N

K

N

N

P

V

K

I

L

T

V

C
|
C

P

P

Y
|
Y

H
|
H

A

Q

W
|
W

A

T

F

Y

K

E

L

L

D

D

G

G

N

R

L

L

A

L

H

W

A

A

R

R

N

D

C

M

E

G

N

-

V

-

A

P

N

D

F

F

D

E

S

P

D

S

K

R

A

H

Q

G

L

L

V

K

P

T

V

V

R

H

L

C

E

R

E

E

Y

L

A

A

G

G

F

L

V

I

F

Y

I

I

N

C

M

L

D

A

P

D

N

E

A

A

T

P

S

D

V

F

E

E

D

R

Q

-

L

-

P

-

G

-

L

-

G

F

A

A

K

E

V

V

L

A

E

R

A

P

C

Y

P

L

E

E

V

V

H

H

D

D

L

L

-

S

-

N

-

A

K

K

L

V

A

A

A

H

R

E

F

S

T

S

T

I

R

V

T

E

P

R

A

G

N

N

W

W

K

K

N

L

I

V

V

W

D

E

N

N

Y

N

L

R

E
|
E

C

C

Y

Y

H
|
H

C

C

G

G

P

G

A

N

H
|
H

P

P

G

A

F

L

S

C

D

R

S

T

V

F

Q

P

V

D

D

D

active site: H106 (= H112), E198 (= E208), H201 (= H211), H206 (= H216)
binding fe2/s2 (inorganic) cluster: C83 (= C89), H85 (= H91), R86 (= R92), S88 (≠ H94), C103 (= C109), Y105 (= Y111), H106 (= H112), W108 (= W114)

Sites not aligning to the query:

active site: 353

4qurA Crystal structure of stachydrine demethylase in complex with cyanide, oxygen, and n-methyl proline in a new orientation
34% identity, 53% coverage: 28:226/374 of query aligns to 35:229/415 of 4qurA

query
sites
4qurA

F

F

Y

Y

T

T

D

S

Q

P

N

E

A

V

F

Y

E

A

H

L

E

D

K

L

E

Q

N

H

V

I

F

F

A

Y

K

K

S

Q

W

W

I

L

C

Y

V

A

A

V

H

P

S

V

S

C

E

Q

L

L

A

A

N

K

A

A

N

G

D

S

Y

Y

V

T

T

T

R

L

E

R

I

V

I

G

G

A

E

Y

S

E

I

V

V

V

L

I

V

V

R

R

G

S

R

R

D

D

K

G

V

E

L

V

R

R

A

A

F

F

Y

H

N

N

V

S

C
|
C

P

R

H
|
H

R
|
R

G

G

H
x
S

Q

L

L

I

L

C

S

K

G

A

E

R

G

Q

K

G

A

Q

K

V

N

A

V

K

I

L

T

V

C
|
C

P

P

Y
|
Y

H
|
H

A

Q

W
|
W

A

T

F

Y

K

E

L

L

D

D

G

G

N

K

L

L

A

I

H

W

A

A

R

N

N

D

C

M

E

G

N

-

V

-

A

P

N

D

F

F

D

D

S

A

D

S

K

K

A

Y

Q

G

L

L

V

K

P

P

V

V

R

N

L

L

E

R

E

N

Y

L

A

D

G

G

F

L

V

I

F

Y

I

I

N

-

M

-

D

-

P

-

N

-

A

-

T

-

S

C

V

L

E

S

D

D

Q

T

L

P

P

P

G

D

L

F

G

Q

A

T

K

F

V

A

L

Q

E

L

A

A

C

R

P

P

-

Y

-

L

E

E

V

V

H

H

D

D

L

L

K

K

L

D

A

A

A

K

R

V

F

A

T

F

T

T

R

S

T

T

-

I

-

E

P

K

A

G

N

N

W

W

K

K

N

L

I

V

V

W

D

E

N
|
N

Y
x
N

L

R

E
|
E

C

C

Y

Y

H
|
H

C

C

G

S

P

S

A

N

H
|
H

P

P

G

A

F

L

S

C

D

R

S

S

V
x
F

Q

P

V

L

D

D

active site: H119 (= H112), E211 (= E208), H214 (= H211), H219 (= H216)
binding 1-methyl-L-proline: N209 (≠ Y206), E211 (= E208), F226 (≠ V223)
binding fe (iii) ion: H214 (= H211), H219 (= H216)
binding fe2/s2 (inorganic) cluster: C96 (= C89), H98 (= H91), R99 (= R92), S101 (≠ H94), C116 (= C109), Y118 (= Y111), H119 (= H112), W121 (= W114)
binding oxygen molecule: N208 (= N205), H214 (= H211), H219 (= H216)

Sites not aligning to the query:

active site: 367
binding 1-methyl-L-proline: 233, 315, 317, 363
binding fe (iii) ion: 370
binding oxygen molecule: 370

3vcaA Quaternary ammonium oxidative demethylation: x-ray crystallographic, resonance raman and uv-visible spectroscopic analysis of a rieske- type demethylase (see paper)
34% identity, 53% coverage: 28:226/374 of query aligns to 20:214/397 of 3vcaA

query
sites
3vcaA

F

F

Y

Y

T

T

D

S

Q

P

N

E

A

V

F

Y

E

A

H

L

E

D

K

L

E

Q

N

H

V

I

F

F

A

Y

K

K

S

Q

W

W

I

L

C

Y

V

A

A

V

H

P

S

V

S

C

E

Q

L

L

A

A

N

K

A

A

N

G

D

S

Y

Y

V

T

T
|
T

R
x
L

E
x
R

I

V

I

G

G

A

E

Y

S
x
E

I

V

V

V

L

I

V

V

R

R

G

S

R

R

D

D

K

G

V

E

L

V

R

R

A

A

F

F

Y

H

N

N

V

S

C
|
C

P

R

H
|
H

R
|
R

G

G

H
x
S

Q
x
L

L

I

L

C

S
x
K

G

A

E
x
R

G

Q

K

G

A

Q

K

V

N

A

V

K

I

L

T

V

C
|
C

P

P

Y
|
Y

H
|
H

A

Q

W
|
W

A

T

F

Y

K

E

L

L

D

D

G

G

N

K

L

L

A

I

H

W

A

A

R

N

N

D

C

M

E

G

N

-

V

-

A

P

N

D

F

F

D

D

S

A

D

S

K

K

A

Y

Q

G

L

L

V

K

P

P

V

V

R

N

L

L

E

R

E

N

Y

L

A

D

G

G

F

L

V

I

F

Y

I

I

N

-

M

-

D

-

P

-

N

-

A

-

T

-

S

C

V

L

E

S

D

D

Q

T

L

P

P

P

G

D

L

F

G

Q

A

T

K

F

V

A

L

Q

E

L

A

A

C

R

P

P

-

Y

-

L

E

E

V

V

H

H

D

D

L

L

K

K

L

D

A

A

A

K

R

V

F

A

T

F

T

T

R

S

T

T

-

I

-

E

P

K

A

G

N

N

W

W

K

K

N

L

I

V

V

W

D

E

N

N

Y

N

L

R

E
|
E

C

C

Y

Y

H
|
H

C

C

G

S

P

S

A

N

H
|
H

P

P

G

A

F

L

S

C

D

R

S

S

V

F

Q

P

V

L

D

D

active site: H104 (= H112), E196 (= E208), H199 (= H211), H204 (= H216)
binding fe (iii) ion: H199 (= H211), H204 (= H216)
binding fe2/s2 (inorganic) cluster: C81 (= C89), H83 (= H91), R84 (= R92), S86 (≠ H94), C101 (= C109), Y103 (= Y111), H104 (= H112), W106 (= W114)
binding proline: T56 (= T64), L57 (≠ R65), R58 (≠ E66), E63 (≠ S71), L87 (≠ Q95), K90 (≠ S98), R92 (≠ E100)

Sites not aligning to the query:

active site: 348
binding fe (iii) ion: 351

4quqA Crystal structure of stachydrine demethylase in complex with azide
34% identity, 52% coverage: 28:222/374 of query aligns to 32:222/401 of 4quqA

query
sites
4quqA

F

F

Y

Y

T

T

D

S

Q

P

N

E

A

V

F

Y

E

A

H

L

E

D

K

L

E

Q

N

H

V

I

F

F

A

Y

K

K

S

Q

W

W

I

L

C

Y

V

A

A

V

H

P

S

V

S

C

E

Q

L

L

A

A

N

K

A

A

N

G

D

S

Y

Y

V

T

T

T

R

L

E

R

I

V

I

G

G

A

E

Y

S

E

I

V

V

V

L

I

V

V

R

R

G

S

R

R

D

D

K

G

V

E

L

V

R

R

A

A

F

F

Y

H

N

N

V

S

C
|
C

P

R

H
|
H

R
|
R

G

G

H
x
S

Q

L

L

I

L

C

S

K

G

A

E

R

G

Q

K

G

A

Q

K

V

N

A

V

K

I

L

T

V

C
|
C

P

P

Y
|
Y

H
|
H

A

Q

W
|
W

A

T

F

Y

K

E

L

L

D

D

G

G

N

K

L

L

A

I

H

W

A

A

R

N

N

D

C

M

E

G

N

-

V

-

A

P

N

D

F

F

D

D

S

A

D

S

K

K

A

Y

Q

G

L

L

V

K

P

P

V

V

R

N

L

L

E

R

E

N

Y

L

A

D

G

G

F

L

V

I

F

Y

I

I

N

-

M

-

D

-

P

-

N

-

A

-

T

-

S

C

V

L

E

S

D

D

Q

T

L

P

P

P

G

D

L

F

G

Q

A

T

K

F

V

A

L

Q

E

L

A

A

C

R

P

P

-

Y

-

L

E

E

V

V

H

H

D

D

L

L

K

K

L

D

A

A

A

K

R

V

F

A

T

F

T

T

R

S

T

T

-

I

-

E

P

K

A

G

N

N

W

W

K

K

N

L

I

V

V

W

D

E

N

N

Y
x
N

L

R

E
|
E

C
|
C

Y

Y

H
|
H

C
|
C

G

S

P

S

A

N

H
|
H

P

P

G

A

F

L

S

C

D

R

S

S

active site: H116 (= H112), E208 (= E208), H211 (= H211), H216 (= H216)
binding azide ion: N206 (≠ Y206), E208 (= E208), C209 (= C209), H211 (= H211), C212 (= C212), H216 (= H216)
binding fe (iii) ion: H211 (= H211), H216 (= H216)
binding fe2/s2 (inorganic) cluster: C93 (= C89), H95 (= H91), R96 (= R92), S98 (≠ H94), C113 (= C109), Y115 (= Y111), H116 (= H112), W118 (= W114)

Sites not aligning to the query:

O85673 Anthranilate 1,2-dioxygenase large subunit; EC 1.14.12.1 from Acinetobacter baylyi (strain ATCC 33305 / BD413 / ADP1) (see 2 papers)
31% identity, 64% coverage: 21:260/374 of query aligns to 25:276/471 of O85673

query
sites
O85673

A

V

W

Y

T

R

I

I

P

A

A

R

R

D

F

M

Y

F

T

T

D

E

Q

P

N

E

A

L

F

F

E

E

H

L

E

E

K
x
M

E

E

N

L

V

I

F

F

A

E

K

K

S

V

W

W

I

I

C

Y

V

A

A

C

H

H

S

E

S

S

E

E

L

I

A

P

N

N

A

N

N

N

D

D

Y

F

V

V

T

T

R

V

E

Q

I

I

I

G

G

R

E

Q

S

P

I

M

V

I

L

V

V

S

R

R

G

D

R

G

D

K

K

G

V

E

L

L

R

H

A

A

F

M

Y

V

N

N

V

A

C

C

P

E

H

H

R

R

G

G

H

A

Q

T

L

L

L

T

S

R

G

V

E

A

G

K

K

G

A

N

K

Q

N

S

V

V

I

F

T

T

C

C

P

P

Y

F

H

H

A

A

W

W

A

C

F

Y

K

K

L

S

D

D

G

G

N

R

L

L

A

V

H

K

A

V

R

K

N

A

-

P

C

G

E

E

N

Y

V

C

A

E

N

D

F

F

D

D

S

K

D

S

K

S

A

R

Q

G

L

L

V

K

P

Q

V

G

R

R

L

I

E

A

E

S

Y

Y

A

R

G

G

F

F

V

V

F

F

I

V

N

S

M

L

D

D

P

T

N

Q

A

A

T

T

-

D

S

S

V

L

E

E

D

D

Q

F

L

L

P

G

G

-

L

-

G

D

A

A

K

K

V

V

-

F

-

L

-

D

-

L

-

M

L

V

E

D

A

Q

C

S

P

P

E

T

V

G

H

E

D

L

L

E

K

V

L

L

A

Q

A

G

R

K

F

S

T

A

T

Y

R

T

T

F

P

A

A

G

N

N

W

W

K

K

N

L

I

Q

V

N

D

E

N

N

Y

G

L

L

E
x
D

C

G

Y

Y

H

H

C

V

G

S

P

T

A

V

H

H

P

Y

G

N

F

Y

S

V

D

S

S

T

V

V

Q

Q

V

H

D

R

R

Q

Y

Q

W

V

H

N

T

A

M

A

H

K

G

G

N

D

W

E

-

L

-

D

T

T

L

L

Q

D

Y

Y

-

S

-

K

-

L

-

G

-

A

G

G

F

D

A

S

K

E

P

T

S

D

E

D

Q

G

S

W

F

F

K

S

F

F

E

K

E

N

G

G

T

H

D

S

A

V

A

L

F

F

M43 (≠ K39) mutation to K: Prevents anthranilate degradation.
D217 (≠ E208) mutation to A: In ACN476; loss of dioxygenase activity and 2-fold lower redox potential.; mutation to E: Loss of dioxygenase activity and lack of iron at the mononuclear site.; mutation to N: Loss of dioxygenase activity.

3gzxA Crystal structure of the biphenyl dioxygenase in complex with biphenyl from comamonas testosteroni sp. Strain b-356 (see paper)
29% identity, 52% coverage: 19:213/374 of query aligns to 13:218/440 of 3gzxA

query
sites
3gzxA

Q

Q

E

D

A

N

W

G

T

K

I

L

P

D

A

A

R

R

F

I

Y

Y

T

A

D

D

Q

Q

N

D

A

L

F

Y

E

Q

H

L

E

E

K

L

E

E

N

R

V

V

F

F

A

G

K

R

S

S

W

W

I

L

C

M

V

L

A

G

H

H

S

E

S

T

E

H

L

I

A

P

N

K

A

I

N

G

D

D

Y

Y

V

L

T

T

R

T

E

Y

I

M

I

G

G

E

E

D

S

P

I

V

V

I

L

M

V

V

R

R

G

Q

R

K

D

D

K

Q

V

S

L

I

R

K

A

V

F

F

Y

L

N

N

V

Q

C
|
C

P

R

H
|
H

R
|
R

G

G

H
x
M

Q

R

L

I

L

V

S

R

G

S

E

D

G

G

K

G

A

N

K

A

N

K

V

A

I

F

T

T

C
|
C

P

T

Y
|
Y

H
|
H

A

G

W
|
W

A

A

F

Y

K

D

L

I

D

A

G

G

N

N

L

L

-

V

-

N

-

V

-

P

-

F

-

E

-

K

-

E

A

A

H

F

A

C

R

D

N

K

C

K

E

E

N

G

V

D

A

C

N

G

F

F

D

D

S

K

D

A

K

D

A

W

Q

G

L

P

V

L

P

Q

V

A

R

R

L

V

E

E

E

T

Y

Y

A

K

G

G

F

L

V

V

F

F

I

A

N

N

M

W

D

D

P

P

N

E

A

A

-

P

-

D

-

L

-

K

T

T

S

Y

V

L

E

S

D

D

Q

A

L

M

P

P

G

Y

L

M

G

-

A

-

K

D

V

V

L

M

E

L

A

D

C

R

P

T

E

E

V

A

H

G

D

T

L

E

K

A

L

I

A

G

R

I

F

Q

T

K

T

W

R

V

T

I

P

P

A

C

N

N

W

W

K

K

N

F

I

A

V

A

D

E

N
x
Q

Y
x
F

L

C

-

S

E
x
D

C

M

Y

Y

H
|
H

C
x
A

G

G

active site: H106 (= H112), D213 (≠ E208), H216 (= H211)
binding biphenyl: Q209 (≠ N205), F210 (≠ Y206), D213 (≠ E208), H216 (= H211), A217 (≠ C212)
binding fe (ii) ion: Q209 (≠ N205), H216 (= H211)
binding fe2/s2 (inorganic) cluster: C83 (= C89), H85 (= H91), R86 (= R92), M88 (≠ H94), C103 (= C109), Y105 (= Y111), H106 (= H112), W108 (= W114)

Sites not aligning to the query:

3en1A Crystal structure of toluene 2,3-dioxygenase (see paper)
29% identity, 52% coverage: 19:213/374 of query aligns to 12:210/424 of 3en1A

query
sites
3en1A

Q

E

E

H

A

A

W

G

T

R

I

I

P

D

A

P

R

R

F

I

Y

Y

T

T

D

D

Q

E

N

D

A

L

F

Y

E

Q

H

L

E

E

K

L

E

E

N

R

V

V

F

F

A

A

K

R

S

S

W

W

I

L

C

L

V

L

A

G

H

H

S

E

S

T

E

Q

L

I

A

R

N

K

A

P

N

G

D

D

Y

Y

V

I

T

T

R

T

E

Y

I

M

I

G

G

E

E

D

S

P

I

V

V

V

L

V

V

V

R

R

G

Q

R

K

D

D

K

A

V

S

L

I

R

A

A

V

F

F

Y

L

N

N

V

Q

C
|
C

P

R

H
|
H

R
|
R

G

G

H
x
M

Q

R

L

I

L

C

S

R

G

A

E

D

G

A

K

G

A

N

K

A

N

K

V

A

I

F

T

T

C
|
C

P

S

Y
|
Y

H
|
H

A

G

W
|
W

A

A

F

Y

K

D

L

T

D

A

G

G

N

N

L

L

A

V

H

N

A

V

-

P

R

Y

N

E

C

A

E

E

N

S

V

F

A

A

N

C

F

L

D

N

S

K

D

K

K

E

A

W

Q

S

L

P

V

L

P

K

V

A

R

R

L

V

E

E

E

T

Y

Y

A

K

G

G

F

L

V

I

F

F

I

A

N

N

M

W

D

D

P

E

N

N

A

A

T

V

S

D

V

L

E

D

-

T

-

Y

-

L

-

G

-

E

-

A

-

K

-

F

-

Y

-

M

D

D

Q

H

L

M

P

L

G

D

L

R

G

T

A

E

K

A

V

G

L

T

E

E

A

A

C

I

P

P

E

G

V

V

H

Q

D

K

L

W

K

V

L

I

A

-

R

-

F

-

T

-

R

-

T

-

P

P

A

C

N

N

W

W

K

K

N

F

I

A

V

A

D

E

N
x
Q

Y
x
F

L

C

-

S

E
x
D

C

M

Y

Y

H
|
H

C

A

G

G

active site: H105 (= H112), D205 (≠ E208), H208 (= H211)
binding fe (ii) ion: Q201 (≠ N205), H208 (= H211)
binding fe2/s2 (inorganic) cluster: C82 (= C89), H84 (= H91), R85 (= R92), M87 (≠ H94), C102 (= C109), Y104 (= Y111), H105 (= H112), W107 (= W114)
binding toluene: Q201 (≠ N205), F202 (≠ Y206), D205 (≠ E208), H208 (= H211)

Sites not aligning to the query:

1wqlA Cumene dioxygenase (cuma1a2) from pseudomonas fluorescens ip01 (see paper)
30% identity, 52% coverage: 19:213/374 of query aligns to 13:213/436 of 1wqlA

query
sites
1wqlA

Q

E

E

E

A

K

W

G

T

L

I

L

P

D

A

P

R

R

F

I

Y

F

T

S

D

D

Q

Q

N

D

A

L

F

Y

E

E

H

I

E

E

K

L

E

E

N

R

V

V

F

F

A

A

K

R

S

S

W

W

I

L

C

L

V

L

A

G

H

H

S

E

S

G

E

H

L

I

A

P

N

K

A

A

N

G

D

D

Y

Y

V

L

T

T

R

T

E

Y

I

M

I

G

G

E

E

D

S

P

I

V

V

I

L

V

V

V

R

R

G

Q

R

K

D

D

K

R

V

S

L

I

R

K

A

V

F

F

Y

L

N

N

V

Q

C
|
C

P

R

H
|
H

R
|
R

G

G

H
x
M

Q

R

L

I

L

E

S

R

G

S

E

D

G

F

K

G

A

N

K

A

N

K

V

S

I

F

T

T

C
|
C

P

T

Y
|
Y

H
|
H

A

G

W
|
W

A

A

F

Y

K

D

L

T

D

A

G

G

N

N

L

L

A

V

H

N

A

V

-

P

R

Y

N

E

C

K

E

E

N

A

V

F

A

C

N

D

F

C

D

G

S

F

D

D

K

K

A

A

Q

D

L

W

V

G

P

P

V

L

-

Q

-

A

R

R

L

V

E

D

E

T

Y

Y

A

K

G

G

F

L

V

I

F

F

I

A

N

N

M

W

D

D

P

T

N

E

A

A

-

P

-

D

-

L

-

K

T

T

S

Y

V

L

E

S

D

D

Q

A

L

T

P

P

G

Y

L

M

G

D

A

V

K

M

V

L

-

D

-

R

L

T

E

E

A

A

C

V

P

T

E

Q

V

V

H

-

D

-

L

-

K

-

L

I

A

T

A

G

R

M

F

Q

T

K

T

T

R

V

T

I

P

P

A

C

N

N

W

W

K

K

N

F

I

A

V

A

D

E

N
x
Q

Y
x
F

L

C

-

S

E
x
D

C

M

Y

Y

H
|
H

C

A

G

G

active site: H106 (= H112), D208 (≠ E208), H211 (= H211)
binding fe (ii) ion: H211 (= H211)
binding fe2/s2 (inorganic) cluster: C83 (= C89), H85 (= H91), R86 (= R92), M88 (≠ H94), C103 (= C109), Y105 (= Y111), H106 (= H112), W108 (= W114)
binding oxygen molecule: Q204 (≠ N205), F205 (≠ Y206), H211 (= H211)

Sites not aligning to the query:

2yflA Crystal structure of biphenyl dioxygenase variant rr41 with 2-chloro dibenzofuran (see paper)
30% identity, 52% coverage: 19:213/374 of query aligns to 13:209/433 of 2yflA

query
sites
2yflA

Q

Q

E

E

A

K

W

G

T

L

I

L

P

D

A

P

R

R

F

I

Y

Y

T

A

D

D

Q

Q

N

S

A

L

F

Y

E

E

H

L

E

E

K

L

E

E

N

R

V

V

F

F

A

G

K

R

S

S

W

W

I

L

C

L

V

L

A

G

H

H

S

E

S

S

E

H

L

V

A

P

N

E

A

T

N

G

D

D

Y

F

V

L

T

A

R

T

E

Y

I

M

I

G

G

E

E

D

S

P

I

V

V

V

L

M

V

V

R

R

G

Q

R

K

D

D

K

K

V

S

L

I

R

K

A

V

F

F

Y

L

N

N

V

Q

C
|
C

P

R

H
|
H

R
|
R

G

G

H
x
M

Q

R

L

I

L

C

S

R

G

S

E

D

G

A

K

G

A

N

K

A

N

K

V

A

I

F

T

T

C
|
C

P

S

Y
|
Y

H
|
H

A

G

W
|
W

A

A

F

Y

K

D

L

I

D

A

G

G

N

K

L

L

A

V

H

N

A

V

R

-

N

P

C

F

E

E

N

K

V

E

A

A

N

F

F

F

D

D

S

K

D

A

K

E

A

W

Q

G

L

P

V

L

P

Q

V

A

R

R

L

V

E

A

E

T

Y

Y

A

K

G

G

F

L

V

V

F

F

I

A

N

N

M

W

D

D

P

V

N

Q

A

A

T

P

S

D

V

L

E

E

-

T

-

Y

-

L

-

G

D

D

Q

A

L

R

P

P

G

Y

L

M

G

D

A

V

K

-

V

M

L

L

E

D

A

R

C

T

P

P

E

-

V

A

H

G

D

T

L

V

K

A

L

I

A

G

R

M

F

Q

T

K

T

W

R

V

T

I

P

P

A

C

N

N

W

W

K

K

N

F

I

A

V

A

D

E

N
x
Q

Y
x
F

L

C

-

S

E
x
D

C
x
M

Y

Y

H
|
H

C
x
A

G

G

active site: H106 (= H112), D204 (≠ E208), H207 (= H211)
binding 2-chlorodibenzofuran: Q200 (≠ N205), F201 (≠ Y206), D204 (≠ E208), M205 (≠ C209), H207 (= H211), A208 (≠ C212)
binding fe (ii) ion: Q200 (≠ N205), H207 (= H211)
binding fe2/s2 (inorganic) cluster: C83 (= C89), H85 (= H91), R86 (= R92), M88 (≠ H94), C103 (= C109), Y105 (= Y111), H106 (= H112), W108 (= W114)

Sites not aligning to the query:

active site: 213, 362
binding 2-chlorodibenzofuran: 257, 297, 307, 310, 352, 358
binding fe (ii) ion: 213, 362

2yfjA Crystal structure of biphenyl dioxygenase variant rr41 with dibenzofuran (see paper)
30% identity, 52% coverage: 19:213/374 of query aligns to 13:209/433 of 2yfjA

query
sites
2yfjA

Q

Q

E

E

A

K

W

G

T

L

I

L

P

D

A

P

R

R

F

I

Y

Y

T

A

D

D

Q

Q

N

S

A

L

F

Y

E

E

H

L

E

E

K

L

E

E

N

R

V

V

F

F

A

G

K

R

S

S

W

W

I

L

C

L

V

L

A

G

H

H

S

E

S

S

E

H

L

V

A

P

N

E

A

T

N

G

D

D

Y

F

V

L

T

A

R

T

E

Y

I

M

I

G

G

E

E

D

S

P

I

V

V

V

L

M

V

V

R

R

G

Q

R

K

D

D

K

K

V

S

L

I

R

K

A

V

F

F

Y

L

N

N

V

Q

C
|
C

P

R

H
|
H

R
|
R

G

G

H
x
M

Q

R

L

I

L

C

S

R

G

S

E

D

G

A

K

G

A

N

K

A

N

K

V

A

I

F

T

T

C
|
C

P

S

Y
|
Y

H
|
H

A

G

W
|
W

A

A

F

Y

K

D

L

I

D

A

G

G

N

K

L

L

A

V

H

N

A

V

R

-

N

P

C

F

E

E

N

K

V

E

A

A

N

F

F

F

D

D

S

K

D

A

K

E

A

W

Q

G

L

P

V

L

P

Q

V

A

R

R

L

V

E

A

E

T

Y

Y

A

K

G

G

F

L

V

V

F

F

I

A

N

N

M

W

D

D

P

V

N

Q

A

A

T

P

S

D

V

L

E

E

-

T

-

Y

-

L

-

G

D

D

Q

A

L

R

P

P

G

Y

L

M

G

D

A

V

K

-

V

M

L

L

E

D

A

R

C

T

P

P

E

-

V

A

H

G

D

T

L

V

K

A

L

I

A

G

R

M

F

Q

T

K

T

W

R

V

T

I

P

P

A

C

N

N

W

W

K

K

N

F

I

A

V

A

D

E

N
x
Q

Y
x
F

L

C

-

S

E
x
D

C
x
M

Y

Y

H
|
H

C
x
A

G

G

active site: H106 (= H112), D204 (≠ E208), H207 (= H211)
binding dibenzofuran: Q200 (≠ N205), F201 (≠ Y206), D204 (≠ E208), M205 (≠ C209), H207 (= H211), A208 (≠ C212)
binding fe (ii) ion: Q200 (≠ N205), H207 (= H211)
binding fe2/s2 (inorganic) cluster: C83 (= C89), H85 (= H91), R86 (= R92), M88 (≠ H94), C103 (= C109), Y105 (= Y111), H106 (= H112), W108 (= W114)

Sites not aligning to the query:

active site: 213, 362
binding dibenzofuran: 297, 307, 310, 352, 358
binding fe (ii) ion: 213, 362

5aeuA Crystal structure of ii9 variant of biphenyl dioxygenase from burkholderia xenovorans lb400 (see paper)
30% identity, 52% coverage: 19:213/374 of query aligns to 13:209/433 of 5aeuA

query
sites
5aeuA

Q

Q

E

E

A

K

W

G

T

L

I

L

P

D

A

P

R

R

F

I

Y

Y

T

A

D

D

Q

Q

N

S

A

L

F

Y

E

E

H

L

E

E

K

L

E

E

N

R

V

V

F

F

A

G

K

R

S

S

W

W

I

L

C

L

V

L

A

G

H

H

S

E

S

S

E

H

L

V

A

P

N

E

A

T

N

G

D

D

Y

F

V

L

T

A

R

T

E

Y

I

M

I

G

G

E

E

D

S

P

I

V

V

V

L

M

V

V

R

R

G

Q

R

K

D

D

K

K

V

S

L

I

R

K

A

V

F

F

Y

L

N

N

V

Q

C
|
C

P

R

H
|
H

R
|
R

G

G

H
x
M

Q

R

L

I

L

C

S

R

G

S

E

D

G

A

K

G

A

N

K

A

N

K

V

A

I

F

T

T

C
|
C

P

S

Y
|
Y

H
|
H

A

G

W
|
W

A

A

F

Y

K

D

L

I

D

A

G

G

N

K

L

L

A

V

H

N

A

V

R

-

N

P

C

F

E

E

N

K

V

E

A

A

N

F

F

F

D

D

S

K

D

A

K

E

A

W

Q

G

L

P

V

L

P

Q

V

A

R

R

L

V

E

A

E

T

Y

Y

A

K

G

G

F

L

V

V

F

F

I

A

N

N

M

W

D

D

P

V

N

Q

A

A

T

P

S

D

V

L

E

E

-

T

-

Y

-

L

-

G

D

D

Q

A

L

R

P

P

G

Y

L

M

G

D

A

V

K

-

V

M

L

L

E

D

A

R

C

T

P

P

E

-

V

A

H

G

D

T

L

V

K

A

L

I

A

G

R

M

F

Q

T

K

T

W

R

V

T

I

P

P

A

C

N

N

W

W

K

K

N

F

I

A

V

A

D

E

N

Q

Y

F

L

C

-

S

E
x
D

C

M

Y

Y

H
|
H

C

A

G

G

active site: H106 (= H112), D204 (≠ E208), H207 (= H211)
binding fe (ii) ion: H207 (= H211)
binding fe2/s2 (inorganic) cluster: C83 (= C89), H85 (= H91), R86 (= R92), M88 (≠ H94), C103 (= C109), Y105 (= Y111), H106 (= H112), W108 (= W114)

Sites not aligning to the query:

active site: 213, 362
binding fe (ii) ion: 213, 362

2xshA Crystal structure of p4 variant of biphenyl dioxygenase from burkholderia xenovorans lb400 in complex with 2,6 di chlorobiphenyl (see paper)
30% identity, 52% coverage: 19:213/374 of query aligns to 13:209/433 of 2xshA

query
sites
2xshA

Q

Q

E

E

A

K

W

G

T

L

I

L

P

D

A

P

R

R

F

I

Y

Y

T

A

D

D

Q

Q

N

S

A

L

F

Y

E

E

H

L

E

E

K

L

E

E

N

R

V

V

F

F

A

G

K

R

S

S

W

W

I

L

C

L

V

L

A

G

H

H

S

E

S

S

E

H

L

V

A

P

N

E

A

T

N

G

D

D

Y

F

V

L

T

A

R

T

E

Y

I

M

I

G

G

E

E

D

S

P

I

V

V

V

L

M

V

V

R

R

G

Q

R

K

D

D

K

K

V

S

L

I

R

K

A

V

F

F

Y

L

N

N

V

Q

C
|
C

P

R

H
|
H

R
|
R

G

G

H
x
M

Q

R

L

I

L

C

S

R

G

S

E

D

G

A

K

G

A

N

K

A

N

K

V

A

I

F

T

T

C
|
C

P

S