SitesBLAST

D15 (= D37) to E: in a breast cancer sample; somatic mutation
C165 (≠ V189) mutation to S: No loss of activity.
E188 (= E211) to K: in dbSNP:rs77698881
C266 (≠ A288) to F: found in a family with Brunner syndrome-like behavioral disturbances; likely pathogenic; reduced activity; dbSNP:rs587777457; mutation to S: No loss of activity.
C306 (≠ V328) mutation to S: No loss of activity.
C321 (≠ S343) mutation to S: No loss of activity.
C323 (≠ A345) mutation to S: No loss of activity.
C374 (≠ L396) mutation to S: Complete loss of activity.
C398 (≠ A419) mutation to S: No loss of activity.
C406 (= C427) modified: S-8alpha-FAD cysteine; mutation to S: Complete loss of activity.

Sites not aligning to the query:

1 modified: N-acetylmethionine

2z5xA Crystal structure of human monoamine oxidase a with harmine (see paper)
33% identity, 92% coverage: 37:482/484 of query aligns to 4:450/513 of 2z5xA

query
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2z5xA

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active site: G60 (= G93), R195 (≠ M229), K294 (= K327)
binding decyl(dimethyl)phosphine oxide: V104 (≠ N138), W105 (= W139), Y110 (≠ G144)
binding flavin-adenine dinucleotide: I8 (≠ V41), G9 (= G42), G11 (= G44), I12 (≠ Y45), S13 (≠ A46), L31 (= L64), E32 (= E65), A33 (= A66), R34 (= R67), G39 (= G72), R40 (= R73), G55 (= G88), G56 (= G89), A57 (≠ Q90), Y58 (≠ W91), P232 (= P266), V233 (= V267), I262 (≠ V295), L266 (= L299), W386 (= W418), Y391 (≠ W423), C395 (= C427), Y396 (= Y428), G423 (= G455), T424 (= T456), G432 (≠ T464), Y433 (≠ F465), M434 (≠ I466)
binding 7-methoxy-1-methyl-9h-beta-carboline: I169 (≠ Y204), F197 (≠ D231), Q204 (= Q238), I324 (≠ E355), L326 (≠ A357), F341 (= F374), Y396 (= Y428)

Sites not aligning to the query:

binding decyl(dimethyl)phosphine oxide: 478, 480

1o5wC The structure basis of specific recognitions for substrates and inhibitors of rat monoamine oxidase a (see paper)
33% identity, 92% coverage: 37:482/484 of query aligns to 6:452/512 of 1o5wC

query
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1o5wC

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active site: G62 (= G93), R197 (≠ M229), K296 (= K327)
binding flavin-adenine dinucleotide: I10 (≠ V41), G13 (= G44), S15 (≠ A46), E34 (= E65), A35 (= A66), R36 (= R67), G41 (= G72), R42 (= R73), G57 (= G88), G58 (= G89), A59 (≠ Q90), Y60 (≠ W91), P234 (= P266), V235 (= V267), I264 (≠ V295), W388 (= W418), Y393 (≠ W423), C397 (= C427), Y398 (= Y428), G425 (= G455), T426 (= T456), G434 (≠ T464), Y435 (≠ F465), M436 (≠ I466)
binding n-[3-(2,4-dichlorophenoxy)propyl]-n-methyl-n-prop-2-ynylamine: I171 (≠ Y204), F199 (≠ D231), Q206 (= Q238), C314 (≠ A345), I316 (= I347), I326 (≠ E355), T327 (= T356), Y398 (= Y428), Y435 (≠ F465)

P27338 Amine oxidase [flavin-containing] B; Monoamine oxidase type B; MAO-B; EC 1.4.3.21; EC 1.4.3.4 from Homo sapiens (Human) (see 8 papers)
35% identity, 93% coverage: 33:482/484 of query aligns to 2:452/520 of P27338

query
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P27338

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V

I

P

P

T

T

L

L

A

G

G

M

S

K

I

I

E

H

Y

F

E

N

P

P

S

P

L

L

P

P

T

M

D

M

R

R

A

N

Q

Q

I

M

T

I

Q

T

R

R

W

V

P

P

Q

L

G

G

C

S

V

V

I

I

K

K

V
x
C

G

I

M

V

V

Y

F

Y

E

K

E

E

P

P

F

F

W

W

R

R

K

K

D

K

G

D

L

Y

S
x
C

G

G

A

T

S

M

I

I

D

I

Y

D

G

G

-

E

S

A

L

P

V

V

G

A

E

Y

T

T

A

L

D

D

S

-

S

D

T

T

P

K

P

P

E

E

Y

G

S

N

K

Y

Q

A

G

A

I

I

L

M

T

-

G

G

F

F

V

I

Y

L

A

A

E

H

T

K

A

A

R

R

Q

K

V

L

L

A

R

R

L

L

S

T

A

K

S

E

D

E

R

R

R

L

Q

K

L

L

L
x
C

A

E

S

L

L

Y

Q

A

G

K

R

V

F

L

G

G

D

S

-

L

R

E

I

A

L

L

K

E

P

P

V

V

F
x
H

Y

Y

Q

E

E

E

M
x
K

N

N

W

W

A
x
C

M

E

Q

E

P

Q

W

Y

T
x
S

K

G

G

G

C
|
C

Y

Y

A

T

G

T

Y

Y

L

F

A

P

P

P

G

G

A

I

T

L

Y

T

L

Q

F

Y

K

G

S

R

A

V

V

L

R

R

D

Q

P

P

I

V

G

D

P

R

L

I

H

Y

W

F

A

A

G

G

T

T

E

E

T

T

A

A

S

T

Q

H

W

W

P

S

T

G

F

Y

I

M

D

E

G

G

A

A

I

V

R

E

S

A

G

G

E

E

R

R

A

A

Q

R

A

E

I

I

F

L

S

H

S2 (= S33) modified: N-acetylserine
C5 (≠ A36) mutation to S: No loss of activity.
C156 (≠ V189) mutation to S: Complete loss of activity.
T158 (≠ D191) mutation to A: Dramatic loss of activity.
C172 (≠ A205) mutation to S: No loss of activity.
C192 (= C224) mutation to S: No loss of activity.
C297 (≠ V328) mutation to S: No loss of activity.
C312 (≠ S343) mutation to S: No loss of activity.
C365 (≠ L396) mutation to S: Complete loss of activity.
H382 (≠ F412) mutation to R: Significant loss of activity.
K386 (≠ M416) mutation to M: No loss of activity.
C389 (≠ A419) mutation to A: Complete loss of activity.; mutation to S: No loss of activity.
S394 (≠ T424) mutation to A: No loss of activity.
C397 (= C427) modified: S-8alpha-FAD cysteine; mutation to S: Complete loss of activity.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

7zw3AAA Amine oxidase [flavin-containing] B (see paper)
35% identity, 93% coverage: 33:482/484 of query aligns to 1:451/500 of 7zw3AAA

query
sites
7zw3AAA

S

S

T

N

R

K

A

C

D

D

V

V

V
|
V

G
|
G

A

G

G
|
G

Y

I

A
x
S

G

G

L

M

A

A

W

K

Q

L

L

L

Q

H

K

D

A

S

G

G

L

L

K

N

V

V

L
|
L

E
|
E

A
|
A

R
|
R

D

D

R

R

V

V

G

G

G
|
G

R
|
R

V

T

W

Y

S

T

I

L

D

R

L

N

K

Q

G

K

G

V

G

K

W

Y

L

V

D

D

L

L

G
|
G

Q
x
S

W
x
Y

L

V

G

G

A

P

T

T

Q

Q

D

N

R

R

F

I

A

L

A

R

L

L

I

A

Q

K

E

E

M

L

G

G

C

L

Q

E

T

T

Y

Y

P

K

T

V

P

-

N

N

F

E

G

V

D

E

T

R

L

L

Y

I

R

H

G

H

V

V

T

K

S

G

S

K

G

S

Y

Y

Y

P

R

F

V

R

K

G

A

P

D

F

G

P

S

P

N

V

W

W

E

N

S

P

V

I

P

-

G

-

S

-

D

T

L

Y

I

L

D

D

E

H

A

N

D

N

-

F

-
x
W

E

R

K

T

L

M

S

D

A

D

M

M

V

G

D

R

Q

E

I

I

D

P

P

S

K

D

A

A

P

P

W

W

Q

K

H

A

P

P

Q

L

A

A

A

E

I

E

W

W

D

D

G

N

L

M

T

T

F

M

G

K

Q

E

W

L

L

L

D
|
D

Q
x
K

N

L

V

C

P

W

D

T

A

E

N

S

A

A

R

K

R

Q

F
x
L

L

A

I

T

A

L

S
x
F

V

V

S

N

Y
x
L

A

C

C

V

-

T

A

A

S

E

P

T

Q

H

E

E

I

V

S

S

M

A

L

L

Q

W

L

F

L

L

F

W

I

Y

I

V

R

K

A

Q

C

C

G

G

L

T

A

T

M

R

L

I

D
x
I

G

S

F

T

E

T

G

N

A

G

Q
|
Q

Q

E

D

R

R

K

I

F

I

V

G

G

A

S

Q

G

V

Q

V

V

A

S

K

E

R

R

L

I

A

M

E

D

R

L

L

L

G

G

S

D

R

R

I

V

Q

K

F

L

N

E

Q

R

P
|
P

V
|
V

R

I

K

Y

I

I

R

D

W

Q

S

T

D

R

R

E

G

N

V

V

T

L

V

V

F

E

T

T

-

L

D

N

Q

H

Q

E

A

M

I

Y

A

E

A

A

Q

K

S

Y

V

V

V

I

I

S

A

A

V
x
I

P

P

T

T

L

L

A

G

G

M

S

K

I

I

E

H

Y

F

E

N

P

P

S

P

L

L

P

P

T

M

D

M

R

R

A

N

Q

Q

I

M

T

I

Q

T

R

R

W

V

P

P

Q

L

G

G

C

S

V

V

I

I

K

K

V

C

G

I

M

V

V

Y

F

Y

E

K

E

E

P

P

F

F

W

W

R

R

K

K

D

K

G

D

L

Y

S

C

G

G

A

T

S

M

I

I

D

I

Y

D

G

G

-

E

S

A

L

P

V

V

G

A

E
x
Y

T

T

A

L

D

D

S

-

S

D

T

T

P

K

P

P

E

E

Y

G

S

N

K

Y

Q

A

G

A

I

I

L

M

T

-

G

G

F

F

V

I

Y

L

A

A

E

H

T

K

A

A

R

R

Q

K

V

L

L

A

R

R

L

L

S

T

A

K

S

E

D

E

R

R

R

L

Q

K

L

L

L

C

A

E

S

L

L

Y

Q

A

G

K

R

V

F

L

G

G

D

S

-

L

R

E

I

A

L

L

K

E

P

P

V

V

F

H

Y

Y

Q

E

E

E

M

K

N

N

W
|
W

A

C

M

E

Q

E

P

Q

W
x
Y

T

S

K

G

G

G

C
|
C

Y
|
Y

A

T

G

T

Y

Y

L

F

A

P

P

P

G

G

A

I

T

L

Y

T

L

Q

F

Y

K

G

S

R

A

V

V

L

R

R

D

Q

P

P

I

V

G

D

P

R

L

I

H

Y

W

F

A

A

G
|
G

T
|
T

E

E

T

T

A

A

S

T

Q

H

W

W

P

S

T
x
G

F
x
Y

I
x
M

D

E

G

G

A

A

I

V

R

E

S

A

G

G

E

E

R

R

A

A

Q

R

A

E

I

I

F

L

S

H

binding 1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide: W118 (vs. gap), L163 (≠ F197), F167 (≠ S201), L170 (≠ Y204), I198 (≠ D231), Q205 (= Q238), Y325 (≠ E355), Y397 (= Y428)
binding n-dodecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate: D152 (= D186), K153 (≠ Q187)
binding flavin-adenine dinucleotide: V9 (= V41), G10 (= G42), G12 (= G44), S14 (≠ A46), L32 (= L64), E33 (= E65), A34 (= A66), R35 (= R67), G40 (= G72), R41 (= R73), G56 (= G88), G57 (= G89), S58 (≠ Q90), Y59 (≠ W91), P233 (= P266), V234 (= V267), I263 (≠ V295), W387 (= W418), Y392 (≠ W423), C396 (= C427), Y397 (= Y428), G424 (= G455), T425 (= T456), G433 (≠ T464), Y434 (≠ F465), M435 (≠ I466)

6yt2A Crystal structure of human monoamine oxidase b in complex with diphenylene iodonium (dpi) (see paper)
35% identity, 93% coverage: 33:482/484 of query aligns to 1:451/500 of 6yt2A

query
sites
6yt2A

S

S

T

N

R

K

A

C

D

D

V

V

V
|
V

G
|
G

A

G

G
|
G

Y

I

A
x
S

G

G

L

M

A

A

W

K

Q

L

L

L

Q

H

K

D

A

S

G

G

L

L

K

N

V

V

L
|
L

E
|
E

A
|
A

R
|
R

D

D

R

R

V

V

G

G

G
|
G

R
|
R

V

T

W

Y

S

T

I

L

D

R

L

N

K

Q

G

K

G

V

G

K

W

Y

L

V

D

D

L

L

G
|
G

Q
x
S

W
x
Y

L

V

G
|
G

A

P

T

T

Q

Q

D

N

R

R

F

I

A

L

A

R

L

L

I

A

Q

K

E

E

M

L

G

G

C

L

Q

E

T

T

Y

Y

P

K

T

V

P

-

N

N

F

E

G

V

D

E

T

R

L

L

Y

I

R

H

G

H

V

V

T

K

S

G

S

K

G

S

Y

Y

Y

P

R

F

V

R

K

G

A

P

D

F

G

P

S

P

N

V

W

W

E

N

S

P

V

I

P

-

G

-

S

-

D

T

L

Y

I

L

D

D

E

H

A

N

D

N

-

F

-

W

E

R

K

T

L

M

S

D

A

D

M

M

V

G

D

R

Q

E

I

I

D

P

P

S

K

D

A

A

P

P

W

W

Q

K

H

A

P

P

Q

L

A

A

A

E

I

E

W

W

D

D

G

N

L

M

T

T

F

M

G

K

Q

E

W

L

L

L

D
|
D

Q
x
K

N

L

V

C

P
x
W

D

T

A

E

N

S

A

A

R

K

R

Q

F

L

L

A

I

T

A

L

S

F

V

V

S

N

Y
x
L

A
x
C

C

V

-

T

A

A

S

E

P

T

Q

H

E

E

I

V

S

S

M

A

L

L

Q

W

L

F

L

L

F

W

I

Y

I

V

R

K

A

Q

C

C

G

G

L

T

A

T

M
x
R

L
x
I

D
x
I

G

S

F

T

E

T

G

N

A

G

Q
|
Q

Q

E

D

R

R

K

I

F

I

V

G

G

A

S

Q

G

V

Q

V

V

A

S

K

E

R

R

L

I

A

M

E

D

R

L

L

L

G

G

S

D

R

R

I

V

Q

K

F

L

N

E

Q

R

P
|
P

V
|
V

R

I

K

Y

I

I

R

D

W

Q

S

T

D

R

R

E

G

N

V

V

T

L

V

V

F

E

T

T

-

L

D

N

Q

H

Q

E

A

M

I

Y

A

E

A

A

Q

K

S

Y

V

V

V

I

I

S

A

A

V
x
I

P

P

T

T

L

L

A

G

G

M

S

K

I

I

E

H

Y

F

E

N

P

P

S

P

L

L

P

P

T

M

D

M

R

R

A

N

Q

Q

I

M

T

I

Q

T

R

R

W

V

P

P

Q

L

G

G

C

S

V

V

I

I

K
|
K

V

C

G

I

M

V

V

Y

F

Y

E

K

E

E

P

P

F

F

W

W

R

R

K

K

D

K

G

D

L

Y

S

C

G

G

A

T

S

M

I

I

D

I

Y

D

G

G

-

E

S

A

L

P

V

V

G

A

E
x
Y

T

T

A

L

D

D

S

-

S

D

T

T

P

K

P

P

E

E

Y

G

S

N

K

Y

Q

A

G

A

I

I

L

M

T

-

G

G

F
|
F

V

I

Y

L

A

A

E

H

T

K

A

A

R

R

Q

K

V

L

L

A

R

R

L

L

S

T

A

K

S

E

D

E

R

R

R

L

Q

K

L

L

L

C

A

E

S

L

L

Y

Q

A

G

K

R

V

F

L

G

G

D

S

-

L

R

E

I

A

L

L

K

E

P

P

V

V

F

H

Y

Y

Q

E

E

E

M

K

N

N

W
|
W

A

C

M

E

Q

E

P

Q

W
x
Y

T

S

K

G

G

G

C
|
C

Y
|
Y

A

T

G

T

Y

Y

L

F

A

P

P

P

G

G

A

I

T

L

Y

T

L

Q

F

Y

K

G

S

R

A

V

V

L

R

R

D

Q

P

P

I

V

G

D

P

R

L

I

H

Y

W

F

A

A

G
|
G

T
|
T

E

E

T

T

A

A

S

T

Q

H

W

W

P

S

T
x
G

F
x
Y

I
x
M

D

E

G

G

A
|
A

I

V

R

E

S

A

G

G

E

E

R

R

A

A

Q

R

A

E

I

I

F

L

S

H

active site: G61 (= G93), R196 (≠ M229), K295 (= K327)
binding n-dodecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate: D152 (= D186), K153 (≠ Q187), W156 (≠ P190)
binding flavin-adenine dinucleotide: V9 (= V41), G10 (= G42), G12 (= G44), S14 (≠ A46), L32 (= L64), E33 (= E65), A34 (= A66), R35 (= R67), G40 (= G72), R41 (= R73), G56 (= G88), G57 (= G89), S58 (≠ Q90), Y59 (≠ W91), P233 (= P266), V234 (= V267), I263 (≠ V295), W387 (= W418), Y392 (≠ W423), C396 (= C427), Y397 (= Y428), G424 (= G455), T425 (= T456), G433 (≠ T464), Y434 (≠ F465), M435 (≠ I466), A438 (= A469)
binding benzo[b][1]benziodole: Y59 (≠ W91), L170 (≠ Y204), C171 (≠ A205), I197 (≠ L230), I198 (≠ D231), Q205 (= Q238), Y325 (≠ E355), F342 (= F374)

6fw0A Crystal structure of human monoamine oxidase b (mao b) in complex with chlorophenyl-chromone-carboxamide (see paper)
35% identity, 93% coverage: 33:482/484 of query aligns to 1:451/500 of 6fw0A

query
sites
6fw0A

S

S

T

N

R

K

A

C

D

D

V

V

V
|
V

G
|
G

A

G

G
|
G

Y

I

A
x
S

G

G

L

M

A

A

W

K

Q

L

L

L

Q

H

K

D

A

S

G

G

L

L

K

N

V

V

L
|
L

E
|
E

A
|
A

R
|
R

D

D

R

R

V

V

G

G

G
|
G

R
|
R

V

T

W

Y

S

T

I

L

D

R

L

N

K

Q

G

K

G

V

G

K

W

Y

L

V

D

D

L

L

G
|
G

Q
x
S

W
x
Y

L

V

G
|
G

A

P

T

T

Q

Q

D

N

R

R

F

I

A

L

A

R

L

L

I

A

Q

K

E

E

M

L

G

G

C

L

Q

E

T

T

Y

Y

P

K

T

V

P

-

N

N

F

E

G

V

D

E

T

R

L

L

Y

I

R

H

G

H

V

V

T

K

S

G

S

K

G

S

Y

Y

Y

P

R

F

V

R

K

G

A

P

D

F

G

P

S

P

N

V

W

W

E

N

S

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V

I

P

-

G

-

S

-

D

T

L

Y

I

L

D

D

E

H

A

N

D

N

-

F

-

W

E

R

K

T

L

M

S

D

A

D

M

M

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G

D

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I

I

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P

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W

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A

A

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W

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D

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T

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M

G

K

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E

W

L

L

L

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|
D

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x
K

N

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V

C

P
x
W

D

T

A

E

N

S

A

A

R

K

R

Q

F

L

L

A

I

T

A

L

S
x
F

V

V

S

N

Y
x
L

A
x
C

C

V

-

T

A

A

S

E

P

T

Q

H

E

E

I

V

S

S

M

A

L

L

Q

W

L

F

L

L

F

W

I

Y

I

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R

K

A

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C

C

G

G

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A

T

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x
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L

I

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x
I

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F

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E

T

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N

A

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|
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Q

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R

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I

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L

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G

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Y

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I

M

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V

Y

F

Y

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K

E

E

P

P

F

F

W

W

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R

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K

D

K

G

D

L

Y

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G

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T

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M

I

I

D

I

Y

D

G

G

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S

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L

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V

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A

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x
Y

T

T

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L

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D

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S

D

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T

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K

P

P

E

E

Y

G

S

N

K

Y

Q

A

G

A

I

I

L

M

T

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G

G

F
|
F

V

I

Y

L

A

A

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H

T

K

A

A

R

R

Q

K

V

L

L

A

R

R

L

L

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T

A

K

S

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D

E

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R

R

L

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K

L

L

L

C

A

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L

L

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F

L

G

G

D

S

-

L

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A

L

L

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P

P

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V

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H

Y

Y

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E

E

E

M

K

N

N

W
|
W

A

C

M

E

Q

E

P

Q

W
x
Y

T

S

K

G

G

G

C
|
C

Y
|
Y

A

T

G

T

Y

Y

L

F

A

P

P

P

G

G

A

I

T

L

Y

T

L

Q

F

Y

K

G

S

R

A

V

V

L

R

R

D

Q

P

P

I

V

G

D

P

R

L

I

H

Y

W

F

A

A

G
|
G

T
|
T

E

E

T

T

A

A

S

T

Q

H

W

W

P

S

T
x
G

F
x
Y

I
x
M

D

E

G

G

A

A

I

V

R

E

S

A

G

G

E

E

R

R

A

A

Q

R

A

E

I

I

F

L

S

H

active site: G61 (= G93), R196 (≠ M229), K295 (= K327)
binding n-dodecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate: D152 (= D186), K153 (≠ Q187), W156 (≠ P190)
binding ~{N}-(3-chlorophenyl)-4-oxidanylidene-chromene-3-carboxamide: F167 (≠ S201), L170 (≠ Y204), C171 (≠ A205), I198 (≠ D231), Q205 (= Q238), Y325 (≠ E355), F342 (= F374), Y397 (= Y428)
binding flavin-adenine dinucleotide: V9 (= V41), G10 (= G42), G12 (= G44), S14 (≠ A46), L32 (= L64), E33 (= E65), A34 (= A66), R35 (= R67), G40 (= G72), R41 (= R73), G56 (= G88), G57 (= G89), S58 (≠ Q90), Y59 (≠ W91), P233 (= P266), V234 (= V267), I263 (≠ V295), W387 (= W418), Y392 (≠ W423), C396 (= C427), Y397 (= Y428), G424 (= G455), T425 (= T456), G433 (≠ T464), Y434 (≠ F465), M435 (≠ I466)

6fvzA Crystal structure of human monoamine oxidase b (mao b) in complex with dimethylphenyl-chromone-carboxamide (see paper)
35% identity, 93% coverage: 33:482/484 of query aligns to 1:451/500 of 6fvzA

query
sites
6fvzA

S

S

T

N

R

K

A

C

D

D

V

V

V
|
V

G
|
G

A

G

G
|
G

Y

I

A
x
S

G

G

L

M

A

A

W

K

Q

L

L

L

Q

H

K

D

A

S

G

G

L

L

K

N

V

V

L
|
L

E
|
E

A
|
A

R
|
R

D

D

R

R

V

V

G

G

G
|
G

R
|
R

V

T

W

Y

S

T

I

L

D

R

L

N

K

Q

G

K

G

V

G

K

W

Y

L

V

D

D

L

L

G
|
G

Q
x
S

W
x
Y

L

V

G
|
G

A

P

T

T

Q

Q

D

N

R

R

F

I

A

L

A

R

L

L

I

A

Q

K

E

E

M

L

G

G

C

L

Q

E

T

T

Y

Y

P

K

T

V

P

-

N

N

F

E

G

V

D

E

T

R

L

L

Y

I

R

H

G

H

V

V

T

K

S

G

S

K

G

S

Y

Y

Y

P

R

F

V

R

K

G

A

P

D

F

G

P

S

P

N

V

W

W

E

N

S

P

V

I

P

-

G

-

S

-

D

T

L

Y

I

L

D

D

E

H

A

N

D

N

-

F

-

W

E

R

K

T

L

M

S

D

A

D

M

M

V

G

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Q

E

I

I

D

P

P

S

K

D

A

A

P

P

W

W

Q

K

H

A

P

P

Q

L

A

A

A

E

I

E

W

W

D

D

G

N

L

M

T

T

F

M

G

K

Q

E

W

L

L

L

D
|
D

Q

K

N

L

V

C

P
x
W

D

T

A

E

N

S

A

A

R

K

R

Q

F

L

L

A

I

T

A

L

S
x
F

V

V

S

N

Y
x
L

A

C

C

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-

T

A

A

S

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P

T

Q

H

E

E

I

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S

S

M

A

L

L

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W

L

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L

L

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W

I

Y

I

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R

K

A

Q

C

C

G

G

L

T

A

T

M
x
R

L

I

D
x
I

G

S

F

T

E

T

G

N

A

G

Q
|
Q

Q

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D

R

R

K

I

F

I

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G

G

A

S

Q

G

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Q

V

V

A

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R

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A

M

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D

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L

L

L

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G

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N

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|
P

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|
V

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L

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L

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M

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Q

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G

G

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V

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|
K

V

C

G

I

M

V

V

Y

F

Y

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K

E

E

P

P

F

F

W

W

R

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K

K

D

K

G

D

L

Y

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C

G

G

A

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M

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|
I

D

I

Y

D

G

G

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N

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A

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|
F

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L

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A

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L

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L

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L

L

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P

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H

Y

Y

Q

E

E

E

M

K

N

N

W
|
W

A

C

M

E

Q

E

P

Q

W
x
Y

T

S

K

G

G

G

C
|
C

Y
|
Y

A

T

G

T

Y

Y

L

F

A

P

P

P

G

G

A

I

T

L

Y

T

L

Q

F

Y

K

G

S

R

A

V

V

L

R

R

D

Q

P

P

I

V

G

D

P

R

L

I

H

Y

W

F

A

A

G
|
G

T
|
T

E

E

T

T

A

A

S

T

Q

H

W

W

P

S

T
x
G

F
x
Y

I
x
M

D

E

G

G

A

A

I

V

R

E

S

A

G

G

E

E

R

R

A

A

Q

R

A

E

I

I

F

L

S

H

active site: G61 (= G93), R196 (≠ M229), K295 (= K327)
binding n-dodecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate: D152 (= D186), W156 (≠ P190)
binding ~{N}-(3,4-dimethylphenyl)-4-oxidanylidene-chromene-3-carboxamide: F167 (≠ S201), L170 (≠ Y204), I198 (≠ D231), Q205 (= Q238), I315 (= I347), Y325 (≠ E355), F342 (= F374), Y397 (= Y428)
binding flavin-adenine dinucleotide: V9 (= V41), G10 (= G42), G12 (= G44), S14 (≠ A46), L32 (= L64), E33 (= E65), A34 (= A66), R35 (= R67), G40 (= G72), R41 (= R73), G56 (= G88), G57 (= G89), S58 (≠ Q90), Y59 (≠ W91), P233 (= P266), V234 (= V267), I263 (≠ V295), W387 (= W418), Y392 (≠ W423), C396 (= C427), Y397 (= Y428), G424 (= G455), T425 (= T456), G433 (≠ T464), Y434 (≠ F465), M435 (≠ I466)

7b0zA Crystal structure of human monoamine oxidase b in complex with (e)-3- phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one (see paper)
35% identity, 93% coverage: 33:482/484 of query aligns to 1:451/498 of 7b0zA

query
sites
7b0zA

S

S

T

N

R

K

A

C

D

D

V

V

V
|
V

G
|
G

A

G

G
|
G

Y

I

A
x
S

G

G

L

M

A

A

W

K

Q

L

L

L

Q

H

K

D

A

S

G

G

L

L

K

N

V

V

L
|
L

E
|
E

A
|
A

R
|
R

D

D

R

R

V

V

G

G

G
|
G

R
|
R

V

T

W

Y

S

T

I

L

D

R

L

N

K

Q

G

K

G

V

G

K

W

Y

L

V

D

D

L

L

G
|
G

Q
x
S

W
x
Y

L

V

G

G

A

P

T

T

Q

Q

D

N

R

R

F

I

A

L

A

R

L

L

I

A

Q

K

E

E

M

L

G

G

C

L

Q

E

T

T

Y

Y

P

K

T

V

P

-

N

N

F

E

G

V

D

E

T

R

L

L

Y

I

R

H

G

H

V

V

T

K

S

G

S

K

G

S

Y

Y

Y

P

R

F

V

R

K

G

A

P

D

F

G

P

S

P

N

V

W

W

E

N

S

P

V

I

P

-

G

-

S

-

D

T

L

Y

I

L

D

D

E

H

A

N

D

N

-

F

-

W

E

R

K

T

L

M

S

D

A

D

M

M

V

G

D

R

Q

E

I

I

D

P

P

S

K

D

A

A

P

P

W

W

Q

K

H

A

P

P

Q

L

A

A

A

E

I

E

W

W

D

D

G

N

L

M

T

T

F

M

G

K

Q

E

W

L

L

L

D
|
D

Q

K

N

L

V

C

P
x
W

D

T

A

E

N

S

A

A

R

K

R

Q

F

L

L

A

I

T

A

L

S

F

V

V

S

N

Y
x
L

A
x
C

C

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T

A

A

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M

A

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L

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L

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I

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A

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C

C

G

G

L

T

A

T

M

R

L

I

D
x
I

G

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F

T

E

T

G

N

A

G

Q
|
Q

Q

E

D

R

R

K

I

F

I

V

G

G

A

S

Q

G

V

Q

V

V

A

S

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R

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A

M

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L

L

L

G

G

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D

R

R

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Q

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F

L

N

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Q

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|
P

V
|
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Y

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L

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F

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W

R

R

K

K

D

K

G

D

L

Y

S

C

G

G

A

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S

M

I
|
I

D

I

Y

D

G

G

-

E

S

A

L

P

V

V

G

A

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x
Y

T

T

A

L

D

D

S

-

S

D

T

T

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P

P

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Y

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N

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A

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I

L

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G

G

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A

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Q

K

V

L

L

A

R

R

L

L

S

T

A

K

S

E

D

E

R

R

R

L

Q

K

L

L

L

C

A

E

S

L

L

Y

Q

A

G

K

R

V

F

L

G

G

D

S

-

L

R

E

I

A

L

L

K

E

P

P

V

V

F

H

Y

Y

Q

E

E

E

M

K

N

N

W
|
W

A

C

M

E

Q

E

P

Q

W
x
Y

T

S

K

G

G

G

C
|
C

Y
|
Y

A

T

G

T

Y

Y

L

F

A

P

P

P

G

G

A

I

T

L

Y

T

L

Q

F

Y

K

G

S

R

A

V

V

L

R

R

D

Q

P

P

I

V

G

D

P

R

L

I

H

Y

W

F

A

A

G
|
G

T
|
T

E

E

T

T

A

A

S

T

Q

H

W

W

P

S

T
x
G

F
x
Y

I
x
M

D

E

G

G

A

A

I

V

R

E

S

A

G

G

E

E

R

R

A

A

Q

R

A

E

I

I

F

L

S

H

binding n-dodecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate: D152 (= D186), W156 (≠ P190)
binding flavin-adenine dinucleotide: V9 (= V41), G10 (= G42), G12 (= G44), S14 (≠ A46), L32 (= L64), E33 (= E65), A34 (= A66), R35 (= R67), G40 (= G72), R41 (= R73), G56 (= G88), G57 (= G89), S58 (≠ Q90), Y59 (≠ W91), P233 (= P266), V234 (= V267), I263 (≠ V295), W387 (= W418), Y392 (≠ W423), C396 (= C427), Y397 (= Y428), G424 (= G455), T425 (= T456), G433 (≠ T464), Y434 (≠ F465), M435 (≠ I466)
binding (E)-3-phenyl-1-(4-(trifluoromethyl)phenyl)prop-2-en-1-one: Y59 (≠ W91), L170 (≠ Y204), C171 (≠ A205), I198 (≠ D231), Q205 (= Q238), I315 (= I347), Y325 (≠ E355), Y397 (= Y428), Y434 (≠ F465)

7b0vA Crystal structure of human monoamine oxidase b in complex with (e)-3- phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one (see paper)
35% identity, 93% coverage: 33:482/484 of query aligns to 1:451/498 of 7b0vA

query
sites
7b0vA

S

S

T

N

R

K

A

C

D

D

V

V

V
|
V

G
|
G

A

G

G
|
G

Y

I

A
x
S

G

G

L

M

A

A

W

K

Q

L

L

L

Q

H

K

D

A

S

G

G

L

L

K

N

V

V

L
|
L

E
|
E

A
|
A

R
|
R

D

D

R

R

V

V

G

G

G
|
G

R
|
R

V

T

W

Y

S

T

I

L

D

R

L

N

K

Q

G

K

G

V

G

K

W

Y

L

V

D

D

L

L

G
|
G

Q
x
S

W
x
Y

L

V

G

G

A

P

T

T

Q

Q

D

N

R

R

F

I

A

L

A

R

L

L

I

A

Q

K

E

E

M

L

G

G

C

L

Q

E

T

T

Y

Y

P

K

T

V

P

-

N

N

F

E

G

V

D

E

T

R

L

L

Y

I

R

H

G

H

V

V

T

K

S

G

S

K

G

S

Y

Y

Y

P

R

F

V

R

K

G

A

P

D

F

G

P

S

P

N

V

W

W

E

N

S

P

V

I

P

-

G

-

S

-

D

T

L

Y

I

L

D

D

E

H

A

N

D

N

-

F

-
x
W

E

R

K

T

L

M

S

D

A

D

M

M

V

G

D

R

Q

E

I

I

D

P

P

S

K

D

A

A

P

P

W

W

Q

K

H

A

P

P

Q

L

A

A

A

E

I

E

W

W

D

D

G

N

L

M

T

T

F

M

G

K

Q

E

W

L

L

L

D
|
D

Q
x
K

N

L

V

C

P
x
W

D

T

A

E

N

S

A

A

R

K

R

Q

F

L

L

A

I

T

A

L

S
x
F

V

V

S

N

Y
x
L

A
x
C

C

V

-

T

A

A

S

E

P

T

Q

H

E

E

I

V

S

S

M

A

L

L

Q

W

L

F

L

L

F

W

I

Y

I

V

R

K

A

Q

C

C

G

G

L

T

A

T

M

R

L

I

D
x
I

G

S

F

T

E

T

G

N

A

G

Q
|
Q

Q

E

D

R

R

K

I

F

I

V

G

G

A

S

Q

G

V

Q

V

V

A

S

K

E

R

R

L

I

A

M

E

D

R

L

L

L

G

G

S

D

R

R

I

V

Q

K

F

L

N

E

Q

R

P

P

V
|
V

R

I

K

Y

I

I

R

D

W

Q

S

T

D

R

R

E

G

N

V

V

T

L

V

V

F

E

T

T

-

L

D

N

Q

H

Q

E

A

M

I

Y

A

E

A

A

Q

K

S

Y

V

V

V

I

I

S

A

A

V
x
I

P

P

T

T

L

L

A

G

G

M

S

K

I

I

E

H

Y

F

E

N

P

P

S

P

L

L

P

P

T

M

D

M

R

R

A

N

Q

Q

I

M

T

I

Q

T

R

R

W

V

P

P

Q

L

G

G

C

S

V

V

I

I

K

K

V

C

G

I

M

V

V

Y

F

Y

E

K

E

E

P

P

F

F

W

W

R

R

K

K

D

K

G

D

L

Y

S

C

G

G

A

T

S

M

I
|
I

D

I

Y

D

G

G

-

E

S

A

L

P

V

V

G

A

E
x
Y

T

T

A

L

D

D

S

-

S

D

T

T

P

K

P

P

E

E

Y

G

S

N

K

Y

Q

A

G

A

I

I

L

M

T

-

G

G

F

F

V

I

Y

L

A

A

E

H

T

K

A

A

R

R

Q

K

V

L

L

A

R

R

L

L

S

T

A

K

S

E

D

E

R

R

R

L

Q

K

L

L

L

C

A

E

S

L

L

Y

Q

A

G

K

R

V

F

L

G

G

D

S

-

L

R

E

I

A

L

L

K

E

P

P

V

V

F

H

Y

Y

Q

E

E

E

M

K

N

N

W
|
W

A

C

M

E

Q

E

P

Q

W
x
Y

T

S

K

G

G

G

C
|
C

Y
|
Y

A

T

G

T

Y

Y

L

F

A

P

P

P

G

G

A

I

T

L

Y

T

L

Q

F

Y

K

G

S

R

A

V

V

L

R

R

D

Q

P

P

I

V

G

D

P

R

L

I

H

Y

W

F

A

A

G
|
G

T
|
T

E

E

T

T

A

A

S

T

Q

H

W

W

P

S

T
x
G

F
x
Y

I
x
M

D

E

G

G

A

A

I

V

R

E

S

A

G

G

E

E

R

R

A

A

Q

R

A

E

I

I

F

L

S

H

binding n-dodecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate: D152 (= D186), K153 (≠ Q187), W156 (≠ P190)
binding flavin-adenine dinucleotide: V9 (= V41), G10 (= G42), G12 (= G44), S14 (≠ A46), L32 (= L64), E33 (= E65), A34 (= A66), R35 (= R67), G40 (= G72), R41 (= R73), G56 (= G88), G57 (= G89), S58 (≠ Q90), Y59 (≠ W91), V234 (= V267), I263 (≠ V295), W387 (= W418), Y392 (≠ W423), C396 (= C427), Y397 (= Y428), G424 (= G455), T425 (= T456), G433 (≠ T464), Y434 (≠ F465), M435 (≠ I466)
binding (E)-3-phenyl-1-(3-(trifluoromethyl)phenyl)prop-2-en-1-one: W118 (vs. gap), F167 (≠ S201), L170 (≠ Y204), C171 (≠ A205), I198 (≠ D231), Q205 (= Q238), I315 (= I347), Y325 (≠ E355)

3zyxA Crystal structure of human monoamine oxidase b in complex with methylene blue and bearing the double mutation i199a-y326a (see paper)
34% identity, 93% coverage: 34:482/484 of query aligns to 1:450/499 of 3zyxA

query
sites
3zyxA

T

N

R

K

A

C

D

D

V

V

G
|
G

A

G

G
|
G

Y

I

A
x
S

G

G

L

M

A

A

W

K

Q

L

L

L

Q

H

K

D

A

S

G

G

L

L

K

N

V

V

L
|
L

E
|
E

A
|
A

R
|
R

D

D

R

R

V

V

G

G

G
|
G

R
|
R

V

T

W

Y

S

T

I

L

D

R

L

N

K

Q

G

K

G

V

G

K

W

Y

L

V

D

D

L

L

G
|
G

Q
x
S

W
x
Y

L

V

G
|
G

A

P

T

T

Q

Q

D

N

R

R

F

I

A

L

A

R

L

L

I

A

Q

K

E

E

M

L

G

G

C

L

Q

E

T

T

Y

Y

P

K

T

V

P

-

N

N

F

E

G

V

D

E

T

R

L

L

Y

I

R

H

G

H

V

V

T

K

S

G

S

K

G

S

Y

Y

Y

P

R

F

V

R

K

G

A

P

D

F

G

P

S

P

N

V

W

W

E

N

S

P

V

I

P

-

G

-

S

-

D

T

L

Y

I

L

D

D

E

H

A

N

D

N

-

F

-

W

E

R

K

T

L

M

S

D

A

D

M

M

V

G

D

R

Q

E

I

I

D

P

P

S

K

D

A

A

P

P

W

W

Q

K

H

A

P

P

Q

L

A

A

A

E

I

E

W

W

D

D

G

N

L

M

T

T

F

M

G

K

Q

E

W

L

L

L

D

D

Q

K

N

L

V

C

P

W

D

T

A

E

N

S

A

A

R

K

R

Q

F

L

L

A

I

T

A

L

S

F

V

V

S

N

Y
x
L

A

C

C

V

-

T

A

A

S

E

P

T

Q

H

E

E

I

V

S

S

M

A

L

L

Q

W

L

F

L

L

F

W

I

Y

I

V

R

K

A

Q

C

C

G

G

L

T

A

T

M
x
R

L

I

D
x
A

G

S

F

T

E

T

G

N

A

G

Q
|
Q

Q

E

D

R

R

K

I

F

I

V

G

G

A

S

Q

G

V

Q

V

V

A

S

K

E

R

R

L

I

A

M

E

D

R

L

L

L

G

G

S

D

R

R

I

V

Q

K

F

L

N

E

Q

R

P
|
P

V
|
V

R

I

K

Y

I

I

R

D

W

Q

S

T

D

R

R

E

G

N

V

V

T

L

V

V

F

E

T

T

-

L

D

N

Q

H

Q

E

A

M

I

Y

A

E

A

A

Q

K

S

Y

V

V

V

I

I

S

A

A

V
x
I

P

P

T

T

L

L

A

G

G

M

S

K

I

I

E

H

Y

F

E

N

P

P

S

P

L

L

P

P

T

M

D

M

R

R

A

N

Q

Q

I

M

T

I

Q

T

R

R

W

V

P

P

Q

L

G

G

C

S

V

V

I

I

K
|
K

V

C

G

I

M

V

V

Y

F

Y

E

K

E

E

P

P

F

F

W

W

R

R

K

K

D

K

G

D

L

Y

S

C

G

G

A
x
T

S

M

I
|
I

D

I

Y

D

G

G

-

E

S

A

L

P

V

V

G

A

E

A

T

T

A

L

D

D

S

-

S

D

T

T

P

K

P

P

E

E

Y

G

S

N

K

Y

Q

A

G

A

I

I

L

M

T

-

G

G

F
|
F

V

I

Y

L

A

A

E

H

T

K

A

A

R

R

Q

K

V

L

L

A

R

R

L

L

S

T

A

K

S

E

D

E

R

R

R

L

Q

K

L

L

L

C

A

E

S

L

L

Y

Q

A

G

K

R

V

F

L

G

G

D

S

-

L

R

E

I

A

L

L

K

E

P

P

V

V

F

H

Y

Y

Q

E

E

E

M

K

N

N

W
|
W

A

C

M

E

Q

E

P

Q

W
x
Y

T

S

K

G

G

G

C
|
C

Y
|
Y

A

T

G

T

Y

Y

L

F

A

P

P

P

G

G

A

I

T

L

Y

T

L

Q

F

Y

K

G

S

R

A

V

V

L

R

R

D

Q

P

P

I

V

G

D

P

R

L

I

H

Y

W

F

A

A

G
|
G

T
|
T

E

E

T

T

A

A

S

T

Q

H

W

W

P

S

T
x
G

F
x
Y

I
x
M

D

E

G

G

A
|
A

I

V

R

E

S

A

G

G

E

E

R

R

A

A

Q

R

A

E

I

I

F

L

S

H

active site: G60 (= G93), R195 (≠ M229), K294 (= K327)
binding flavin-adenine dinucleotide: G9 (= G42), G11 (= G44), S13 (≠ A46), L31 (= L64), E32 (= E65), A33 (= A66), R34 (= R67), G39 (= G72), R40 (= R73), G55 (= G88), G56 (= G89), S57 (≠ Q90), Y58 (≠ W91), P232 (= P266), V233 (= V267), I262 (≠ V295), W386 (= W418), Y391 (≠ W423), C395 (= C427), Y396 (= Y428), G423 (= G455), T424 (= T456), G432 (≠ T464), Y433 (≠ F465), M434 (≠ I466), A437 (= A469)
binding 3,7-bis(dimethylamino)phenothiazin-5-ium: L169 (≠ Y204), A197 (≠ D231), Q204 (= Q238), T312 (≠ A345), I314 (= I347), F341 (= F374), Y396 (= Y428)

7p4hA Crystal structure of monoamine oxidase b in complex with inhibitor (+)-2 (see paper)
34% identity, 93% coverage: 34:482/484 of query aligns to 1:450/499 of 7p4hA

query
sites
7p4hA

T

N

R

K

A

C

D

D

V

V

G
|
G

A

G

G
|
G

Y

I

A
x
S

G

G

L

M

A

A

W

K

Q

L

L

L

Q

H

K

D

A

S

G

G

L

L

K

N

V

V

L
|
L

E
|
E

A
|
A

R
|
R

D

D

R

R

V

V

G

G

G
|
G

R
|
R

V

T

W

Y

S

T

I

L

D

R

L

N

K

Q

G

K

G

V

G

K

W

Y

L

V

D

D

L

L

G
|
G

Q
x
S

W
x
Y

L

V

G

G

A

P

T

T

Q

Q

D

N

R

R

F

I

A

L

A

R

L

L

I

A

Q

K

E

E

M

L

G

G

C

L

Q

E

T

T

Y

Y

P

K

T

V

P

-

N

N

F

E

G

V

D

E

T

R

L

L

Y

I

R

H

G

H

V

V

T

K

S

G

S

K

G

S

Y

Y

Y

P

R

F

V

R

K

G

A

P

D

F

G

P

S

P

N

V

W

W

E

N

S

P

V

I

P

-

G

-

S

-

D

T

L

Y

I

L

D

D

E

H

A

N

D

N

-

F

-

W

E

R

K

T

L

M

S

D

A

D

M

M

V

G

D

R

Q

E

I

I

D

P

P

S

K

D

A

A

P

P

W

W

Q

K

H

A

P

P

Q

L

A

A

A

E

I

E

W

W

D

D

G

N

L

M

T

T

F

M

G

K

Q

E

W

L

L

L

D

D

Q

K

N

L

V

C

P

W

D

T

A

E

N

S

A

A

R

K

R

Q

F

L

L

A

I

T

A

L

S

F

V

V

S

N

Y
x
L

A
x
C

C

V

-

T

A

A

S

E

P

T

Q

H

E

E

I

V

S

S

M

A

L

L

Q

W

L

F

L

L

F

W

I

Y

I

V

R

K

A

Q

C

C

G

G

L

T

A

T

M

R

L

I

D
x
I

G

S

F

T

E

T

G

N

A

G

Q
|
Q

Q

E

D

R

R

K

I

F

I

V

G

G

A

S

Q

G

V

Q

V

V

A

S

K

E

R

R

L

I

A

M

E

D

R

L

L

L

G

G

S

D

R

R

I

V

Q

K

F

L

N

E

Q

R

P
|
P

V
|
V

R

I

K

Y

I

I

R

D

W

Q

S

T

D

R

R

E

G

N

V

V

T

L

V

V

F

E

T

T

-

L

D

N

Q

H

Q

E

A

M

I

Y

A

E

A

A

Q

K

S

Y

V

V

V

I

I

S

A

A

V
x
I

P

P

T

T

L

L

A

G

G

M

S

K

I

I

E

H

Y

F

E

N

P

P

S

P

L

L

P

P

T

M

D

M

R

R

A

N

Q

Q

I

M

T

I

Q

T

R

R

W

V

P

P

Q

L

G

G

C

S

V

V

I

I

K

K

V

C

G

I

M

V

V

Y

F

Y

E

K

E

E

P

P

F

F

W

W

R

R

K

K

D

K

G

D

L

Y

S

C

G

G

A

T

S

M

I

I

D

I

Y

D

G

G

-

E

S

A

L

P

V

V

G

A

E
x
Y

T

T

A

L

D

D

S

-

S

D

T

T

P

K

P

P

E

E

Y

G

S

N

K

Y

Q

A

G

A

I

I

L

M

T

-

G

G

F

F

V

I

Y

L

A

A

E

H

T

K

A

A

R

R

Q

K

V

L

L

A

R

R

L

L

S

T

A

K

S

E

D

E

R

R

R

L

Q

K

L

L

L

C

A

E

S

L

L

Y

Q

A

G

K

R

V

F

L

G

G

D

S

-

L

R

E

I

A

L

L

K

E

P

P

V

V

F

H

Y

Y

Q

E

E

E

M

K

N

N

W
|
W

A

C

M

E

Q

E

P

Q

W
x
Y

T

S

K

G

G

G

C
|
C

Y
|
Y

A

T

G

T

Y

Y

L

F

A

P

P

P

G

G

A

I

T

L

Y

T

L

Q

F

Y

K

G

S

R

A

V

V

L

R

R

D

Q

P

P

I

V

G

D

P

R

L

I

H

Y

W

F

A

A

G
|
G

T
|
T

E

E

T

T

A

A

S

T

Q

H

W

W

P

S

T
x
G

F
x
Y

I
x
M

D

E

G

G

A

A

I

V

R

E

S

A

G

G

E

E

R

R

A

A

Q

R

A

E

I

I

F

L

S

H

binding 3,4-dimethyl-7-[[(3~{S})-piperidin-3-yl]methoxy]chromen-2-one: Y58 (≠ W91), L169 (≠ Y204), C170 (≠ A205), I197 (≠ D231), Q204 (= Q238), Y324 (≠ E355)
binding flavin-adenine dinucleotide: G9 (= G42), G11 (= G44), S13 (≠ A46), L31 (= L64), E32 (= E65), A33 (= A66), R34 (= R67), G39 (= G72), R40 (= R73), G55 (= G88), G56 (= G89), S57 (≠ Q90), Y58 (≠ W91), P232 (= P266), V233 (= V267), I262 (≠ V295), W386 (= W418), Y391 (≠ W423), C395 (= C427), Y396 (= Y428), G423 (= G455), T424 (= T456), G432 (≠ T464), Y433 (≠ F465), M434 (≠ I466)

7p4fA Crystal structure of monoamine oxidase b in complex with inhibitor 1 (see paper)
34% identity, 93% coverage: 34:482/484 of query aligns to 1:450/499 of 7p4fA

query
sites
7p4fA

T

N

R

K

A

C

D

D

V

V

G
|
G

A

G

G
|
G

Y

I

A
x
S

G

G

L

M

A

A

W

K

Q

L

L

L

Q

H

K

D

A

S

G

G

L

L

K

N

V

V

L

L

E
|
E

A
|
A

R
|
R

D

D

R

R

V

V

G

G

G
|
G

R
|
R

V
x
T

W

Y

S

T

I

L

D

R

L

N

K

Q

G

K

G

V

G

K

W

Y

L

V

D

D

L

L

G
|
G

Q
x
S

W
x
Y

L

V

G

G

A

P

T

T

Q

Q

D

N

R

R

F

I

A

L

A

R

L

L

I

A

Q

K

E

E

M

L

G

G

C

L

Q

E

T

T

Y

Y

P

K

T

V

P

-

N

N

F

E

G

V

D

E

T

R

L

L

Y

I

R

H

G

H

V

V

T

K

S

G

S

K

G

S

Y

Y

Y

P

R

F

V

R

K

G

A

P

D
x
F

G

P

S

P

N

V

W

W

E

N

S

P

V

I

P

-

G

-

S

-

D

T

L

Y

I

L

D

D

E

H

A

N

D

N

-

F

-
x
W

E

R

K

T

L

M

S

D

A

D

M

M

V

G

D

R

Q

E

I

I

D

P

P

S

K

D

A

A

P

P

W

W

Q

K

H

A

P

P

Q

L

A

A

A

E

I

E

W

W

D

D

G

N

L

M

T

T

F

M

G

K

Q

E

W

L

L

L

D
|
D

Q
x
K

N

L

V

C

P
x
W

D

T

A

E

N

S

A

A

R

K

R

Q

F
x
L

L

A

I

T

A

L

S
x
F

V

V

S

N

Y
x
L

A

C

C

V

-

T

A

A

S

E

P

T

Q

H

E

E

I

V

S

S

M

A

L

L

Q

W

L

F

L

L

F

W

I

Y

I

V

R

K

A

Q

C

C

G

G

L

T

A

T

M

R

L

I

D
x
I

G

S

F

T

E

T

G

N

A

G

Q
|
Q

Q

E

D

R

R

K

I

F

I

V

G

G

A

S

Q

G

V

Q

V

V

A

S

K

E

R

R

L

I

A

M

E

D

R

L

L

L

G

G

S

D

R

R

I

V

Q

K

F

L

N

E

Q

R

P
|
P

V
|
V

R

I

K

Y

I

I

R

D

W

Q

S

T

D

R

R

E

G

N

V

V

T

L

V

V

F

E

T

T

-

L

D

N

Q

H

Q

E

A

M

I

Y

A

E

A

A

Q

K

S

Y

V

V

V

I

I

S

A

A

V
x
I

P

P

T

T

L

L

A

G

G

M

S

K

I

I

E

H

Y

F

E

N

P

P

S

P

L

L

P

P

T

M

D

M

R

R

A

N

Q

Q

I

M

T

I

Q

T

R

R

W

V

P

P

Q

L

G

G

C

S

V

V

I

I

K

K

V

C

G

I

M

V

V

Y

F

Y

E

K

E

E

P

P

F

F

W

W

R

R

K

K

D

K

G

D

L

Y

S

C

G

G

A

T

S

M

I

I

D

I

Y

D

G

G

-

E

S

A

L

P

V

V

G

A

E
x
Y

T

T

A

L

D

D

S

-

S

D

T

T

P

K

P

P

E

E

Y

G

S

N

K

Y

Q

A

G

A

I

I

L

M

T

-

G

G

F
|
F

V

I

Y

L

A

A

E

H

T

K

A

A

R

R

Q

K

V

L

L

A

R

R

L

L

S

T

A

K

S

E

D

E

R

R

R

L

Q

K

L

L

L

C

A

E

S

L

L

Y

Q

A

G

K

R

V

F

L

G

G

D

S

-

L

R

E

I

A

L

L

K

E

P

P

V

V

F

H

Y

Y

Q

E

E

E

M

K

N

N

W
|
W

A

C

M

E

Q

E

P

Q

W
x
Y

T

S

K

G

G

G

C
|
C

Y
|
Y

A

T

G

T

Y

Y

L

F

A

P

P

P

G

G

A

I

T

L

Y

T

L

Q

F

Y

K

G

S

R

A

V

V

L

R

R

D

Q

P

P

I

V

G

D

P

R

L

I

H

Y

W

F

A

A

G
|
G

T
|
T

E

E

T

T

A

A

S

T

Q

H

W

W

P

S

T
x
G

F
x
Y

I
x
M

D

E

G

G

A

A

I

V

R

E

S

A

G

G

E

E

R

R

A

A

Q

R

A

E

I

I

F

L

S

H

binding 4-(hydroxymethyl)-7-[[4-[[methyl-(phenylmethyl)amino]methyl]phenyl]methoxy]chromen-2-one: Y58 (≠ W91), F101 (≠ D135), W117 (vs. gap), L162 (≠ F197), F166 (≠ S201), L169 (≠ Y204), I197 (≠ D231), Q204 (= Q238), Y324 (≠ E355), F341 (= F374), Y396 (= Y428), Y433 (≠ F465)
binding n-dodecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate: D151 (= D186), K152 (≠ Q187), W155 (≠ P190)
binding flavin-adenine dinucleotide: G9 (= G42), G11 (= G44), S13 (≠ A46), E32 (= E65), A33 (= A66), R34 (= R67), G39 (= G72), R40 (= R73), T41 (≠ V74), G55 (= G88), G56 (= G89), S57 (≠ Q90), Y58 (≠ W91), P232 (= P266), V233 (= V267), I262 (≠ V295), W386 (= W418), Y391 (≠ W423), C395 (= C427), Y396 (= Y428), G423 (= G455), T424 (= T456), G432 (≠ T464), Y433 (≠ F465), M434 (≠ I466)

6rleA Crystal structure of human monoamine oxidase b in complex with styrylpiperidine analogue 97 (see paper)
34% identity, 93% coverage: 34:482/484 of query aligns to 1:450/499 of 6rleA

query
sites
6rleA

T

N

R

K

A

C

D

D

V

V

V
|
V

G
|
G

A

G

G
|
G

Y

I

A
x
S

G

G

L

M

A

A

W

K

Q

L

L

L

Q

H

K

D

A

S

G

G

L

L

K

N

V

V

L

L

E
|
E

A
|
A

R
|
R

D

D

R

R

V

V

G

G

G
|
G

R
|
R

V

T

W

Y

S

T

I

L

D

R

L

N

K

Q

G

K

G

V

G

K

W

Y

L

V

D

D

L

L

G
|
G

Q
x
S

W
x
Y

L

V

G
|
G

A

P

T

T

Q

Q

D

N

R

R

F

I

A

L

A

R

L

L

I

A

Q

K

E

E

M

L

G

G

C

L

Q

E

T

T

Y

Y

P

K

T

V

P

-

N

N

F

E

G

V

D

E

T

R

L

L

Y

I

R

H

G

H

V

V

T

K

S

G

S

K

G

S

Y

Y

Y

P

R

F

V

R

K

G

A

P

D

F

G

P

S

P

N

V

W

W

E

N

S

P

V

I

P

-

G

-

S

-

D

T

L

Y

I

L

D

D

E

H

A

N

D

N

-

F

-

W

E

R

K

T

L

M

S

D

A

D

M

M

V

G

D

R

Q

E

I

I

D

P

P

S

K

D

A

A

P

P

W

W

Q

K

H

A

P

P

Q

L

A

A

A

E

I

E

W

W

D

D

G

N

L

M

T

T

F

M

G

K

Q

E

W

L

L

L

D
|
D

Q

K

N

L

V

C

P
x
W

D

T

A

E

N

S

A

A

R

K

R

Q

F

L

L

A

I

T

A

L

S
x
F

V

V

S

N

Y
x
L

A

C

C

V

-

T

A

A

S

E

P

T

Q

H

E

E

I

V

S

S

M

A

L

L

Q

W

L

F

L

L

F

W

I

Y

I

V

R

K

A

Q

C

C

G

G

L

T

A

T

M
x
R

L

I

D
x
I

G

S

F

T

E

T

G

N

A

G

Q
|
Q

Q

E

D

R

R

K

I

F

I

V

G

G

A

S

Q

G

V

Q

V

V

A

S

K

E

R

R

L

I

A

M

E

D

R

L

L

L

G

G

S

D

R

R

I

V

Q

K

F

L

N

E

Q

R

P

P

V
|
V

R

I

K

Y

I

I

R

D

W

Q

S

T

D

R

R

E

G

N

V

V

T

L

V

V

F

E

T

T

-

L

D

N

Q

H

Q

E

A

M

I

Y

A

E

A

A

Q

K

S

Y

V

V

V

I

I

S

A

A

V
x
I

P

P

T

T

L

L

A

G

G

M

S

K

I

I

E

H

Y

F

E

N

P

P

S

P

L

L

P

P

T

M

D

M

R

R

A

N

Q

Q

I

M

T

I

Q

T

R

R

W

V

P

P

Q

L

G

G

C

S

V

V

I

I

K
|
K

V

C

G

I

M

V

V

Y

F

Y

E

K

E

E

P

P

F

F

W

W

R

R

K

K

D

K

G

D

L

Y

S

C

G

G

A

T

S

M

I

I

D

I

Y

D

G

G

-

E

S

A

L

P

V

V

G

A

E
x
Y

T

T

A

L

D

D

S

-

S

D

T

T

P

K

P

P

E

E

Y

G

S

N

K

Y

Q

A

G

A

I

I

L

M

T

-

G

G

F

F

V

I

Y

L

A

A

E

H

T

K

A

A

R

R

Q

K

V

L

L

A

R

R

L

L

S

T

A

K

S

E

D

E

R

R

R

L

Q

K

L

L

L

C

A

E

S

L

L

Y

Q

A

G

K

R

V

F

L

G

G

D

S

-

L

R

E

I

A

L

L

K

E

P

P

V

V

F

H

Y

Y

Q

E

E

E

M

K

N

N

W
|
W

A

C

M

E

Q

E

P

Q

W
x
Y

T

S

K

G

G

G

C
|
C

Y
|
Y

A

T

G

T

Y

Y

L

F

A

P

P

P

G

G

A

I

T

L

Y

T

L

Q

F

Y

K

G

S

R

A

V

V

L

R

R

D

Q

P

P

I

V

G

D

P

R

L

I

H

Y

W

F

A

A

G
|
G

T
|
T

E

E

T

T

A

A

S

T

Q

H

W

W

P

S

T
x
G

F
x
Y

I
x
M

D

E

G

G

A

A

I

V

R

E

S

A

G

G

E

E

R

R

A

A

Q

R

A

E

I

I

F

L

S

H

active site: G60 (= G93), R195 (≠ M229), K294 (= K327)
binding n-dodecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate: D151 (= D186), W155 (≠ P190)
binding flavin-adenine dinucleotide: V8 (= V41), G9 (= G42), G11 (= G44), S13 (≠ A46), E32 (= E65), A33 (= A66), R34 (= R67), G39 (= G72), R40 (= R73), G55 (= G88), G56 (= G89), S57 (≠ Q90), Y58 (≠ W91), V233 (= V267), I262 (≠ V295), W386 (= W418), Y391 (≠ W423), C395 (= C427), Y396 (= Y428), G423 (= G455), T424 (= T456), G432 (≠ T464), Y433 (≠ F465), M434 (≠ I466)
binding 4-[2-(4-propan-2-ylphenyl)ethyl]-1-[(~{E})-prop-1-enyl]piperidine: F166 (≠ S201), L169 (≠ Y204), I197 (≠ D231), Q204 (= Q238), Y324 (≠ E355), Y396 (= Y428)

6rkpA Crystal structure of human monoamine oxidase b in complex with styrylpiperidine analogue 84 (see paper)
34% identity, 93% coverage: 34:482/484 of query aligns to 1:450/499 of 6rkpA

query
sites
6rkpA

T

N

R

K

A

C

D

D

V

V

G
|
G

A

G

G
|
G

Y

I

A
x
S

G

G

L

M

A

A

W

K

Q

L

L

L

Q

H

K

D

A

S

G

G

L

L

K

N

V

V

L

L

E
|
E

A
|
A

R
|
R

D

D

R

R

V

V

G

G

G
|
G

R
|
R

V

T

W

Y

S

T

I

L

D

R

L

N

K

Q

G

K

G

V

G

K

W

Y

L

V

D

D

L

L

G
|
G

Q
x
S

W
x
Y

L

V

G
|
G

A

P

T

T

Q

Q

D

N

R

R

F

I

A

L

A

R

L

L

I

A

Q

K

E

E

M

L

G

G

C

L

Q

E

T

T

Y

Y

P

K

T

V

P

-

N

N

F

E

G

V

D

E

T

R

L

L

Y

I

R

H

G

H

V

V

T

K

S

G

S

K

G

S

Y

Y

Y

P

R

F

V

R

K

G

A

P

D

F

G
x
P

S

P

N

V

W

W

E

N

S

P

V

I

P

-

G

-

S

-

D

T

L

Y

I

L

D

D

E

H

A

N

D

N

-

F

-

W

E

R

K

T

L

M

S

D

A

D

M

M

V

G

D

R

Q

E

I

I

D

P

P

S

K

D

A

A

P

P

W

W

Q

K

H

A

P

P

Q

L

A

A

A

E

I

E

W

W

D

D

G

N

L

M

T

T

F

M

G

K

Q

E

W

L

L

L

D
|
D

Q

K

N

L

V

C

P
x
W

D

T

A

E

N

S

A

A

R

K

R

Q

F

L

L

A

I

T

A

L

S

F

V

V

S

N

Y
x
L

A

C

C

V

-

T

A

A

S

E

P

T

Q

H

E

E

I

V

S

S

M

A

L

L

Q

W

L

F

L

L

F

W

I

Y

I

V

R

K

A

Q

C

C

G

G

L

T

A

T

M
x
R

L

I

D
x
I

G

S

F

T

E

T

G

N

A

G

Q
|
Q

Q

E

D

R

R

K

I

F

I

V

G

G

A

S

Q

G

V

Q

V

V

A

S

K

E

R

R

L

I

A

M

E

D

R

L

L

L

G

G

S

D

R

R

I

V

Q

K

F

L

N

E

Q

R

P
|
P

V
|
V

R

I

K

Y

I

I

R

D

W

Q

S

T

D

R

R

E

G

N

V

V

T

L

V

V

F

E

T

T

-

L

D

N

Q

H

Q

E

A

M

I

Y

A

E

A

A

Q

K

S

Y

V

V

V

I

I

S

A

A

V
x
I

P

P

T

T

L

L

A

G

G

M

S

K

I

I

E

H

Y

F

E

N

P

P

S

P

L

L

P

P

T

M

D

M

R

R

A

N

Q

Q

I

M

T

I

Q

T

R

R

W

V

P

P

Q

L

G

G

C

S

V

V

I

I

K
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K

V

C

G

I

M

V

V

Y

F

Y

E

K

E

E

P

P

F

F

W

W

R

R

K

K

D

K

G

D

L

Y

S

C

G

G

A

T

S

M

I
|
I

D

I

Y

D

G

G

-

E

S

A

L

P

V

V

G

A

E
x
Y

T

T

A

L

D

D

S

-

S

D

T

T

P

K

P

P

E

E

Y

G

S

N

K

Y

Q

A

G

A

I

I

L

M

T

-

G

G

F
|
F

V

I

Y

L

A

A

E

H

T

K

A

A

R

R

Q

K

V

L

L

A

R

R

L

L

S

T

A

K

S

E

D

E

R

R

R

L

Q

K

L

L

L

C

A

E

S

L

L

Y

Q

A

G

K

R

V

F

L

G

G

D

S

-

L

R

E

I

A

L

L

K

E

P

P

V

V

F

H

Y

Y

Q

E

E

E

M

K

N

N

W
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W

A

C

M

E

Q

E

P

Q

W
x
Y

T

S

K

G

G

G

C
|
C

Y
|
Y

A

T

G

T

Y

Y

L

F

A

P

P

P

G

G

A

I

T

L

Y

T

L

Q

F

Y

K

G

S

R

A

V

V

L

R

R

D

Q

P

P

I

V

G

D

P

R

L

I

H

Y

W

F

A

A

G
|
G

T
|
T

E

E

T

T

A

A

S

T

Q

H

W

W

P

S

T
x
G

F
x
Y

I
x
M

D

E

G

G

A

A

I

V

R

E

S

A

G

G

E

E

R

R

A

A

Q

R

A

E

I

I

F

L

S

H

active site: G60 (= G93), R195 (≠ M229), K294 (= K327)
binding n-dodecyl-n,n-dimethyl-3-ammonio-1-propanesulfonate: D151 (= D186), W155 (≠ P190)
binding flavin-adenine dinucleotide: G9 (= G42), G11 (= G44), S13 (≠ A46), E32 (= E65), A33 (= A66), R34 (= R67), G39 (= G72), R40 (= R73), G55 (= G88), G56 (= G89), S57 (≠ Q90), Y58 (≠ W91), P232 (= P266), V233 (= V267), I262 (≠ V295), W386 (= W418), Y391 (≠ W423), C395 (= C427), Y396 (= Y428), G423 (= G455), T424 (= T456), G432 (≠ T464), Y433 (≠ F465), M434 (≠ I466)
binding 1-[(~{E})-prop-1-enyl]-4-[(~{E})-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine: P102 (≠ G136), L169 (≠ Y204), I197 (≠ D231), Q204 (= Q238), I314 (= I347), Y324 (≠ E355), F341 (= F374), Y396 (= Y428)

Query Sequence

>Synpcc7942_0369 FitnessBrowser__SynE:Synpcc7942_0369
MKVSRRALLGGAAAVASASVLTRSPRAQAQSKSTRADVVVVGAGYAGLAAAWQLQKAGLK
VVVLEARDRVGGRVWSIDLKGGGWLDLGGQWLGATQDRFAALIQEMGCQTYPTPNFGDTL
YRGVTSSGYYRVKADGSNWESVPGSDLIDEADEKLSAMVDQIDPKAPWQHPQAAIWDGLT
FGQWLDQNVPDANARRFLIASVSYACASPQEISMLQLLFIIRACGGLAMLDGFEGAAQQD
RIIGGAQVVAKRLAERLGSRIQFNQPVRKIRWSDRGVTVFTDQQAIAAQSVVIAVPPTLA
GSIEYEPSLPTDRAQITQRWPQGCVIKVGMVFEEPFWRKDGLSGASIDYGSLVGETADSS
TPPEYSKQGILTGFVYAETARQVLRLSASDRRQQLLASLQGRFGDRILKPVFYQEMNWAM
QPWTKGCYAGYLAPGATYLFKSAVRDPIGPLHWAGTETASQWPTFIDGAIRSGERAAQAI
FSQR

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