SitesBLAST

7r0aA Structure of sarin phosphonylated acetylcholinesterase in complex with 2-((hydroxyimino)methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl) pyridinium (see paper)
38% identity, 32% coverage: 63:155/294 of query aligns to 104:205/537 of 7r0aA

query
sites
7r0aA

P

P

A

Y

P

P

R

R

P

P

H

-

N

-

A

A

P

S

P

P

A

T

P

P

V

V

L

L

V

I

F

W

I

I

H

Y

G

G

Y

G

W

F

R
x
Y

S

S

-

G

-

A

-

S

L

L

D

D

K

V

A

Y

D

D

H

G

S

R

F

F

V

L

A

A

P

Q

A

V

F

-

V

-

K

-

H

E

G

G

A

A

C

V

V

L

V

V

V

S

P

M

N

N

Y

Y

A

R

L

V

C

G

P

T

-

F

-

G

-

F

-

L

-

A

-

L

-

P

-

G

-

S

-

R

-

E

-

A

-

P

-

G

A

N

V

V

G

G

I

L

P

L

D

D

I

Q

A

R

L

L

Q

A

M

-

V

-

D

-

L

-

L

L

A

Q

W

W

L

V

Y

Q

R

E

N

N

I

I

A

A

V

A

H

F

G

G

D

D

P

P

H

M

R

S

I

V

T

T

L

L

V

F

G

G

H

E

S

S

A

A

G

G

binding ~{N}-ethyl-4-methyl-3-nitro-benzamide: Y124 (≠ R85)

Sites not aligning to the query:

binding ~{N}-ethyl-4-methyl-3-nitro-benzamide: 72, 280, 289, 335

7r02A Mus musculus acetylcholinesterase in complex with n-(3-(diethylamino) propyl)-4-methyl-3-nitrobenzamide (see paper)
38% identity, 32% coverage: 63:155/294 of query aligns to 104:205/537 of 7r02A

query
sites
7r02A

P

P

A

Y

P

P

R

R

P

P

H

-

N

-

A

A

P

S

P

P

A

T

P

P

V

V

L

L

V

I

F

W

I

I

H

Y

G

G

Y

G

W

F

R
x
Y

S

S

-

G

-

A

-

S

L

L

D

D

K

V

A

Y

D

D

H

G

S

R

F

F

V

L

A

A

P

Q

A

V

F

-

V

-

K

-

H

E

G

G

A

A

C

V

V

L

V

V

V

S

P

M

N

N

Y

Y

A

R

L

V

C

G

P

T

-

F

-

G

-

F

-

L

-

A

-

L

-

P

-

G

-

S

-

R

-

E

-

A

-

P

-

G

A

N

V

V

G

G

I

L

P

L

D

D

I

Q

A

R

L

L

Q

A

M

-

V

-

D

-

L

-

L

L

A

Q

W

W

L

V

Y

Q

R

E

N

N

I

I

A

A

V

A

H

F

G

G

D

D

P

P

H

M

R

S

I

V

T

T

L

L

V

F

G

G

H

E

S

S

A

A

G

G

binding ~{N}-[(~{E})-3-(diethylamino)prop-2-enyl]-4-methyl-3-nitro-benzamide: Y124 (≠ R85)

Sites not aligning to the query:

7qynA Mus musculus acetylcholinesterase in complex with 2-((hydroxyimino) methyl)-1-(5-(4-methyl-3-nitrobenzamido)pentyl)pyridinium (see paper)
38% identity, 32% coverage: 63:155/294 of query aligns to 104:205/537 of 7qynA

query
sites
7qynA

P

P

A

Y

P

P

R

R

P

P

H

-

N

-

A

A

P

S

P

P

A

T

P

P

V

V

L

L

V

I

F

W

I

I

H

Y

G

G

G
|
G

Y
x
G

W

F

R
x
Y

S

S

-

G

-

A

-

S

L

L

D

D

K

V

A

Y

D

D

H

G

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R

F

F

V

L

A

A

P

Q

A

V

F

-

V

-

K

-

H

E

G

G

A

A

C

V

V

L

V

V

V

S

P

M

N

N

Y

Y

A

R

L

V

C

G

P

T

-

F

-

G

-

F

-

L

-

A

-

L

-

P

-

G

-

S

-

R

-

E

-

A

-

P

-

G

A

N

V

V

G

G

I

L

P

L

D

D

I

Q

A

R

L

L

Q

A

M

-

V

-

D

-

L

-

L

L

A

Q

W

W

L

V

Y

Q

R

E

N

N

I

I

A

A

V

A

H

F

G

G

D

D

P

P

H

M

R

S

I

V

T

T

L

L

V

F

G

G

H

E

S
|
S

A

A

G

G

binding 4-methyl-3-nitro-~{N}-[(2~{E},4~{E})-5-[2-[(oxidanylamino)methyl]pyridin-1-yl]penta-2,4-dienyl]benzamide: G121 (= G82), G122 (≠ Y83), Y124 (≠ R85), S203 (= S153)

Sites not aligning to the query:

binding 4-methyl-3-nitro-~{N}-[(2~{E},4~{E})-5-[2-[(oxidanylamino)methyl]pyridin-1-yl]penta-2,4-dienyl]benzamide: 72, 86, 280, 291, 292, 331, 332, 335

7qb4A Mus musculus acetylcholinesterase in complex with 7-[(1- benzylpiperidin-3-yl)methoxy]-3,4-dimethyl-2h-chromen-2-one (see paper)
38% identity, 32% coverage: 63:155/294 of query aligns to 104:205/537 of 7qb4A

query
sites
7qb4A

P

P

A

Y

P

P

R

R

P

P

H

-

N

-

A

A

P

S

P

P

A

T

P

P

V

V

L

L

V

I

F

W

I

I

H

Y

G

G

Y

G

W

F

R

Y

S

S

-

G

-

A

-

S

L

L

D

D

K

V

A

Y

D

D

H

G

S

R

F

F

V

L

A

A

P

Q

A

V

F

-

V

-

K

-

H

E

G

G

A

A

C

V

V

L

V

V

V

S

P

M

N

N

Y

Y

A

R

L

V

C

G

P

T

-

F

-

G

-

F

-

L

-

A

-

L

-

P

-

G

-

S

-

R

-

E

-

A

-

P

-

G

A

N

V

V

G

G

I

L

P

L

D

D

I

Q

A

R

L

L

Q

A

M

-

V

-

D

-

L

-

L

L

A

Q

W

W

L

V

Y

Q

R

E

N

N

I

I

A

A

V

A

H

F

G

G

D

D

P

P

H

M

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S

I

V

T

T

L

L

V

F

G

G

H

E

S

S

A

A

G

G

Sites not aligning to the query:

7qakA Mus musculus acetylcholinesterase in complex with 7-[(4- {[benzyl(methyl)amino]methyl}benzyl)oxy]-4-(hydroxymethyl)-2h- chromen-2-one (see paper)
38% identity, 32% coverage: 63:155/294 of query aligns to 104:205/537 of 7qakA

query
sites
7qakA

P

P

A

Y

P

P

R

R

P

P

H

-

N

-

A

A

P

S

P

P

A

T

P

P

V

V

L

L

V

I

F

W

I

I

H

Y

G

G

G
|
G

Y

G

W

F

R
x
Y

S

S

-

G

-

A

-

S

L

L

D

D

K

V

A

Y

D

D

H

G

S

R

F

F

V

L

A

A

P

Q

A

V

F

-

V

-

K

-

H

E

G

G

A

A

C

V

V

L

V

V

V

S

P

M

N

N

Y

Y

A

R

L

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C

G

P

T

-

F

-

G

-

F

-

L

-

A

-

L

-

P

-

G

-

S

-

R

-

E

-

A

-

P

-

G

A

N

V

V

G

G

I

L

P

L

D

D

I

Q

A

R

L

L

Q

A

M

-

V

-

D

-

L

-

L

L

A

Q

W

W

L

V

Y

Q

R

E

N

N

I

I

A

A

V

A

H

F

G

G

D

D

P

P

H

M

R

S

I

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T

T

L

L

V

F

G

G

H
x
E

S

S

A

A

G

G

binding 4-(hydroxymethyl)-7-[[4-[[methyl-(phenylmethyl)amino]methyl]phenyl]methoxy]chromen-2-one: G121 (= G82), Y124 (≠ R85), E202 (≠ H152)

Sites not aligning to the query:

binding 4-(hydroxymethyl)-7-[[4-[[methyl-(phenylmethyl)amino]methyl]phenyl]methoxy]chromen-2-one: 72, 86, 279, 280, 292, 331, 335

6td2A Mus musculus acetylcholinesterase in complex with n-(2-(diethylamino) ethyl)-1-(4-(trifluoromethyl)phenyl)methanesulfonamide (see paper)
38% identity, 32% coverage: 63:155/294 of query aligns to 104:205/536 of 6td2A

query
sites
6td2A

P

P

A

Y

P

P

R

R

P

P

H

-

N

-

A

A

P

S

P

P

A

T

P

P

V

V

L

L

V

I

F

W

I

I

H

Y

G

G

G
|
G

Y
x
G

W

F

R
x
Y

S

S

-

G

-

A

-

S

L

L

D

D

K

V

A

Y

D

D

H

G

S

R

F

F

V

L

A

A

P

Q

A

V

F

-

V

-

K

-

H

E

G

G

A

A

C

V

V

L

V

V

V

S

P

M

N

N

Y

Y

A

R

L

V

C
x
G

P

T

-

F

-

G

-

F

-

L

-

A

-

L

-

P

-

G

-

S

-

R

-

E

-

A

-

P

-

G

A

N

V

V

G

G

I

L

P

L

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D

I

Q

A

R

L

L

Q

A

M

-

V

-

D

-

L

-

L

L

A

Q

W

W

L

V

Y

Q

R

E

N

N

I

I

A

A

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F

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D

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M

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S

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T

T

L

L

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G

G

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x
E

S
|
S

A
|
A

G

G

active site: G121 (= G82), G122 (≠ Y83), G154 (≠ C114), S203 (= S153), A204 (= A154)
binding ~{N}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide: Y124 (≠ R85), E202 (≠ H152)

Sites not aligning to the query:

active site: 242, 291, 293, 328, 441
binding ~{N}-[2-(diethylamino)ethyl]-1-[4-(trifluoromethyl)phenyl]methanesulfonamide: 72, 74, 86, 331, 335, 441

4b85A Mus musculus acetylcholinesterase in complex with 4-chloranyl-n-(2- diethylamino-ethyl)-benzenesulfonamide (see paper)
38% identity, 32% coverage: 63:155/294 of query aligns to 104:205/536 of 4b85A

query
sites
4b85A

P

P

A

Y

P

P

R

R

P

P

H

-

N

-

A

A

P

S

P

P

A

T

P

P

V

V

L

L

V

I

F

W

I

I

H

Y

G

G

G
|
G

Y
x
G

W

F

R
x
Y

S

S

-

G

-

A

-

S

L

L

D

D

K

V

A

Y

D

D

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S

R

F

F

V

L

A

A

P

Q

A

V

F

-

V

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K

-

H

E

G

G

A

A

C

V

V

L

V

V

V

S

P

M

N

N

Y

Y

A

R

L

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C
x
G

P

T

-

F

-

G

-

F

-

L

-

A

-

L

-

P

-

G

-

S

-

R

-

E

-

A

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P

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G

A

N

V

V

G

G

I

L

P

L

D

D

I

Q

A

R

L

L

Q

A

M

-

V

-

D

-

L

-

L

L

A

Q

W

W

L

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Y

Q

R

E

N

N

I

I

A

A

V

A

H

F

G

G

D

D

P

P

H

M

R

S

I

V

T

T

L

L

V

F

G

G

H

E

S
|
S

A
|
A

G

G

active site: G121 (= G82), G122 (≠ Y83), G154 (≠ C114), S203 (= S153), A204 (= A154)
binding 4-chloranyl-N-[2-(diethylamino)ethyl]benzenesulfonamide: G121 (= G82), G122 (≠ Y83), Y124 (≠ R85)

Sites not aligning to the query:

active site: 242, 291, 293, 328, 441
binding 4-chloranyl-N-[2-(diethylamino)ethyl]benzenesulfonamide: 86, 291, 331, 332, 335, 441

4b84A Mus musculus acetylcholinesterase in complex with n-(2-diethylamino- ethyl)-3-trifluoromethyl-benzenesulfonamide (see paper)
38% identity, 32% coverage: 63:155/294 of query aligns to 104:205/536 of 4b84A

query
sites
4b84A

P

P

A

Y

P

P

R

R

P

P

H

-

N

-

A

A

P

S

P

P

A

T

P

P

V

V

L

L

V

I

F

W

I

I

H

Y

G

G

G
|
G

Y
x
G

W

F

R
x
Y

S

S

-

G

-

A

-

S

L

L

D

D

K

V

A

Y

D

D

H

G

S

R

F

F

V

L

A

A

P

Q

A

V

F

-

V

-

K

-

H

E

G

G

A

A

C

V

V

L

V

V

V

S

P

M

N

N

Y

Y

A

R

L

V

C
x
G

P

T

-

F

-

G

-

F

-

L

-

A

-

L

-

P

-

G

-

S

-

R

-

E

-

A

-

P

-

G

A

N

V

V

G

G

I

L

P

L

D

D

I

Q

A

R

L

L

Q

A

M

-

V

-

D

-

L

-

L

L

A

Q

W

W

L

V

Y

Q

R

E

N

N

I

I

A

A

V

A

H

F

G

G

D

D

P

P

H

M

R

S

I

V

T

T

L

L

V

F

G

G

H

E

S
|
S

A
|
A

G

G

active site: G121 (= G82), G122 (≠ Y83), G154 (≠ C114), S203 (= S153), A204 (= A154)
binding N-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide: G121 (= G82), Y124 (≠ R85)

Sites not aligning to the query:

active site: 242, 292, 294, 329, 442
binding N-[2-(diethylamino)ethyl]-3-(trifluoromethyl)benzenesulfonamide: 86, 332, 336, 442

4b83A Mus musculus acetylcholinesterase in complex with n-(2-diethylamino- ethyl)-3-methoxy-benzenesulfonamide (see paper)
38% identity, 32% coverage: 63:155/294 of query aligns to 104:205/536 of 4b83A

query
sites
4b83A

P

P

A

Y

P

P

R

R

P

P

H

-

N

-

A

A

P

S

P

P

A

T

P

P

V

V

L

L

V

I

F

W

I

I

H

Y

G

G

G
|
G

Y
x
G

W

F

R
x
Y

S

S

-

G

-

A

-

S

L

L

D

D

K

V

A

Y

D

D

H

G

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R

F

F

V

L

A

A

P

Q

A

V

F

-

V

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K

-

H

E

G

G

A

A

C

V

V

L

V

V

V

S

P

M

N

N

Y

Y

A

R

L

V

C
x
G

P

T

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F

-

G

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F

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L

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A

-

L

-

P

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G

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S

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R

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E

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A

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P

-

G

A

N

V

V

G

G

I

L

P

L

D

D

I

Q

A

R

L

L

Q

A

M

-

V

-

D

-

L

-

L

L

A

Q

W

W

L

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Y

Q

R

E

N

N

I

I

A

A

V

A

H

F

G

G

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D

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P

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M

R

S

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V

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T

L

L

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F

G

G

H

E

S
|
S

A
|
A

G

G

active site: G121 (= G82), G122 (≠ Y83), G154 (≠ C114), S203 (= S153), A204 (= A154)
binding N-[2-(diethylamino)ethyl]-3-methoxy-benzenesulfonamide: G121 (= G82), Y124 (≠ R85)

Sites not aligning to the query:

active site: 242, 291, 293, 328, 441
binding N-[2-(diethylamino)ethyl]-3-methoxy-benzenesulfonamide: 86, 219, 222, 280, 291, 315, 317, 331, 332, 335, 441

5ehnA Mache-syn tz2pa5 complex (see paper)
38% identity, 32% coverage: 63:155/294 of query aligns to 104:205/536 of 5ehnA

query
sites
5ehnA

P

P

A

Y

P

P

R

R

P

P

H

-

N

-

A

A

P

S

P

P

A

T

P

P

V

V

L

L

V

I

F

W

I

I

H

Y

G

G

G
|
G

Y
x
G

W

F

R
x
Y

S

S

-

G

-

A

-

S

L

L

D

D

K

V

A

Y

D

D

H

G

S

R

F

F

V

L

A

A

P

Q

A

V

F

-

V

-

K

-

H

E

G

G

A

A

C

V

V

L

V

V

V

S

P

M

N

N

Y

Y

A

R

L

V

C
x
G

P

T

-

F

-

G

-

F

-

L

-

A

-

L

-

P

-

G

-

S

-

R

-

E

-

A

-

P

-

G

A

N

V

V

G

G

I

L

P

L

D

D

I

Q

A

R

L

L

Q

A

M

-

V

-

D

-

L

-

L

L

A

Q

W

W

L

V

Y

Q

R

E

N

N

I

I

A

A

V

A

H

F

G

G

D

D

P

P

H

M

R

S

I

V

T

T

L

L

V

F

G

G

H
x
E

S
|
S

A
|
A

G

G

active site: G121 (= G82), G122 (≠ Y83), G154 (≠ C114), S203 (= S153), A204 (= A154)
binding 6-phenyl-5-[5-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine: G121 (= G82), Y124 (≠ R85), E202 (≠ H152)

Sites not aligning to the query:

active site: 242, 292, 294, 329, 442
binding 6-phenyl-5-[5-[3-[2-(1,2,3,4-tetrahydroacridin-9-ylamino)ethyl]-1,2,3-triazol-4-yl]pentyl]phenanthridin-5-ium-3,8-diamine: 72, 74, 86, 281, 288, 332, 336, 434, 442

3zluB Crystal structure of mouse acetylcholinesterase in complex with cyclosarin (see paper)
38% identity, 32% coverage: 63:155/294 of query aligns to 101:202/533 of 3zluB

query
sites
3zluB

P

P

A

Y

P

P

R

R

P

P

H

-

N

-

A

A

P

S

P

P

A

T

P

P

V

V

L

L

V

I

F

W

I

I

H

Y

G

G

G
|
G

Y
x
G

W

F

R

Y

S

S

-

G

-

A

-

S

L

L

D

D

K

V

A

Y

D

D

H

G

S

R

F

F

V

L

A

A

P

Q

A

V

F

-

V

-

K

-

H

E

G

G

A

A

C

V

V

L

V

V

V

S

P

M

N

N

Y

Y

A

R

L

V

C
x
G

P

T

-

F

-

G

-

F

-

L

-

A

-

L

-

P

-

G

-

S

-

R

-

E

-

A

-

P

-

G

A

N

V

V

G

G

I

L

P

L

D

D

I

Q

A

R

L

L

Q

A

M

-

V

-

D

-

L

-

L

L

A

Q

W

W

L

V

Y

Q

R

E

N

N

I

I

A

A

V

A

H

F

G

G

D

D

P

P

H

M

R

S

I

V

T

T

L

L

V

F

G

G

H

E

S
|
S

A
|
A

G

G

active site: G118 (= G82), G119 (≠ Y83), G151 (≠ C114), S200 (= S153), A201 (= A154)

Sites not aligning to the query:

active site: 239, 287, 289, 324, 437
binding (2-hydroxyethoxy)acetaldehyde: 372, 374

5ov9A Crystal structure of acetylcholinesterase in complex with crystal violet (see paper)
38% identity, 32% coverage: 63:155/294 of query aligns to 104:205/534 of 5ov9A

query
sites
5ov9A

P

P

A

Y

P

P

R

R

P

P

H

-

N

-

A

A

P

S

P

P

A

T

P

P

V

V

L

L

V

I

F

W

I

I

H

Y

G

G

G
|
G

Y
x
G

W

F

R

Y

S

S

-

G

-

A

-

S

L

L

D

D

K

V

A

Y

D

D

H

G

S

R

F

F

V

L

A

A

P

Q

A

V

F

-

V

-

K

-

H

E

G

G

A

A

C

V

V

L

V

V

V

S

P

M

N

N

Y

Y

A

R

L

V

C
x
G

P

T

-

F

-

G

-

F

-

L

-

A

-

L

-

P

-

G

-

S

-

R

-

E

-

A

-

P

-

G

A

N

V

V

G

G

I

L

P

L

D

D

I

Q

A

R

L

L

Q

A

M

-

V

-

D

-

L

-

L

L

A

Q

W

W

L

V

Y

Q

R

E

N

N

I

I

A

A

V

A

H

F

G

G

D

D

P

P

H

M

R

S

I

V

T

T

L

L

V

F

G

G

H

E

S
|
S

A
|
A

G

G

active site: G121 (= G82), G122 (≠ Y83), G154 (≠ C114), S203 (= S153), A204 (= A154)

Sites not aligning to the query:

active site: 242, 290, 292, 327, 440
binding crystal violet: 72, 74, 76, 276, 279, 280, 334, 334

6fseA Mus musculus acetylcholinesterase in complex with 1-(4-(4- ethylpiperazin-1-yl)piperidin-1-yl)-2-((4'-methoxy-[1,1'-biphenyl]-4- yl)oxy)ethanone dihydrochloride (15) (see paper)
38% identity, 32% coverage: 63:155/294 of query aligns to 104:205/535 of 6fseA

query
sites
6fseA

P

P

A

Y

P

P

R

R

P

P

H

-

N

-

A

A

P

S

P

P

A

T

P

P

V

V

L

L

V

I

F

W

I

I

H

Y

G
|
G

Y
x
G

W

F

R
x
Y

S

S

-

G

-

A

-

S

L

L

D

D

K

V

A

Y

D

D

H

G

S

R

F

F

V

L

A

A

P

Q

A

V

F

-

V

-

K

-

H

E

G

G

A

A

C

V

V

L

V

V

V

S

P

M

N

N

Y

Y

A

R

L

V

C

G

P

T

-

F

-

G

-

F

-

L

-

A

-

L

-

P

-

G

-

S

-

R

-

E

-

A

-

P

-

G

A

N

V

V

G

G

I

L

P

L

D

D

I

Q

A

R

L

L

Q

A

M

-

V

-

D

-

L

-

L

L

A

Q

W

W

L

V

Y

Q

R

E

N

N

I

I

A

A

V

A

H

F

G

G

D

D

P

P

H

M

R

S

I

V

T

T

L

L

V

F

G

G

H

E

S
|
S

A
|
A

G

G

active site: G121 (= G82), G122 (≠ Y83), S203 (= S153), A204 (= A154)
binding 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone: G120 (= G81), G121 (= G82), Y124 (≠ R85)

Sites not aligning to the query:

active site: 327, 440
binding 1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone: 72, 86, 279, 330, 331, 334

6fsdA Mus musculus acetylcholinesterase in complex with 2-(4-biphenylyloxy)- n-[3-(1-piperidinyl)propyl]-acetamide hydrochloride (10) (see paper)
38% identity, 32% coverage: 63:155/294 of query aligns to 104:205/535 of 6fsdA

query
sites
6fsdA

P

P

A

Y

P

P

R

R

P

P

H

-

N

-

A

A

P

S

P

P

A

T

P

P

V

V

L

L

V

I

F

W

I

I

H

Y

G

G

G
|
G

Y
x
G

W

F

R
x
Y

S

S

-

G

-

A

-

S

L

L

D

D

K

V

A

Y

D

D

H

G

S

R

F

F

V

L

A

A

P

Q

A

V

F

-

V

-

K

-

H

E

G

G

A

A

C

V

V

L

V

V

V

S

P

M

N

N

Y

Y

A

R

L

V

C

G

P

T

-

F

-

G

-

F

-

L

-

A

-

L

-

P

-

G

-

S

-

R

-

E

-

A

-

P

-

G

A

N

V

V

G

G

I

L

P

L

D

D

I

Q

A

R

L

L

Q

A

M

-

V

-

D

-

L

-

L

L

A

Q

W

W

L

V

Y

Q

R

E

N

N

I

I

A

A

V

A

H

F

G

G

D

D

P

P

H

M

R

S

I

V

T

T

L

L

V

F

G

G

H

E

S
|
S

A
|
A

G

G

active site: G121 (= G82), G122 (≠ Y83), S203 (= S153), A204 (= A154)
binding 2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide: Y124 (≠ R85)

Sites not aligning to the query:

active site: 327, 440
binding 2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide: 72, 279, 330, 331

5fumA Mus musculus acetylcholinesterase in complex with al200 (see paper)
38% identity, 32% coverage: 63:155/294 of query aligns to 104:205/535 of 5fumA

query
sites
5fumA

P

P

A

Y

P

P

R

R

P

P

H

-

N

-

A

A

P

S

P

P

A

T

P

P

V

V

L

L

V

I

F

W

I

I

H

Y

G

G

G
|
G

Y
x
G

W

F

R
x
Y

S

S

-

G

-

A

-

S

L

L

D

D

K

V

A

Y

D

D

H

G

S

R

F

F

V

L

A

A

P

Q

A

V

F

-

V

-

K

-

H

E

G

G

A

A

C

V

V

L

V

V

V

S

P

M

N

N

Y

Y

A

R

L

V

C
x
G

P

T

-

F

-

G

-

F

-

L

-

A

-

L

-

P

-

G

-

S

-

R

-

E

-

A

-

P

-

G

A

N

V

V

G

G

I

L

P

L

D

D

I

Q

A

R

L

L

Q

A

M

-

V

-

D

-

L

-

L

L

A

Q

W

W

L

V

Y

Q

R

E

N

N

I

I

A

A

V

A

H

F

G

G

D

D

P

P

H

M

R

S

I

V

T

T

L

L

V

F

G

G

H

E

S
|
S

A
|
A

G

G

active site: G121 (= G82), G122 (≠ Y83), G154 (≠ C114), S203 (= S153), A204 (= A154)
binding 2-(biphenyl-4-yloxy)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanone: Y124 (≠ R85)

Sites not aligning to the query:

active site: 242, 290, 292, 327, 440
binding 2-(biphenyl-4-yloxy)-1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]ethanone: 72, 86, 330, 331

Query Sequence

>WP_068166778.1 NCBI__GCF_001592305.1:WP_068166778.1
MNAPAHPDPAWLDGQYNNRALVPEHARHFERWASESLAARRQLGGMLDVAYGHGAGETLD
LFPAPRPHNAPPAPVLVFIHGGYWRSLDKADHSFVAPAFVKHGACVVVPNYALCPAVGIP
DIALQMVDLLAWLYRNIAVHGGDPHRITLVGHSAGGQLAALLLACRWRDVGADLPDALVK
NALSISGLYDLEPLRHTPFLRDSLRLTPAQVKKVSPALLPVPPVREGRGLLYTVTGGEES
SEFLRHNRMIQQAWGEEVVPVCEALPGLNHFSVLEALVQPGHRLNQLALQLLNG

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