SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing AO356_07595 AO356_07595 acetyl-CoA carboxylase biotin carboxylase subunit 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)

2vpqB Crystal structure of biotin carboxylase from s. Aureus complexed with amppnp (see paper)
48% identity, 96% coverage: 7:445/457 of query aligns to 2:441/448 of 2vpqB

query
sites
2vpqB

K

K

L

V

L

L

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

V

R

R

I

I

R

R

A

A

A

C

K

R

E

D

L

L

G

G

I

I

P

Q

T

T

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V

A

A

A

I

C

Y

S

S

E

E

A

G

D

D

V

K

D

D

S

A

Q

L

A

H

A

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Q

M

I

A

A

D

D

E

E

V

A

H

Y

I

C

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G

G

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P

A

T

R

L

A

S

D

K

K

D

S

S

Y

Y

L

L

N

N

V

I

E

P

A

N

L

I

L

L

G

S

A

I

L

A

K

T

A

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T

T

G

G

A

C

N

D

A

G

V

V

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

A

E

E

N

N

A

A

D

D

F

F

A

A

E

E

A

L

V

C

V

E

A

A

A

C

G

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A

L

I

K

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F

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I

G

G

P

P

S

S

A

Y

E

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S

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I

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K

M

M

G

G

D

I

K
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K

A

D

E
x
V

A

A

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R

A

T

E

A

M

Q

I

A

K

A

A

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N

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I
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H

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-

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K

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I

M

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A

A

V

L

A

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H

E

T

F

T

V

L

V

T

L

G

G

M

I

A

D

N

T

T

T

L

I

A

P

L

F

H

H

G

I

E

K

L

L

E

N

Q

N

P

D

W

I

L

F

H

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G

D

K

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E

active site: V116 (≠ E121), K156 (= K161), H206 (= H211), R232 (= R236), T271 (= T275), E273 (= E277), E287 (= E291), N289 (= N293), R291 (= R295), E295 (= E299), R337 (= R341)
binding phosphoaminophosphonic acid-adenylate ester: K114 (= K119), I154 (≠ L159), K156 (= K161), G161 (= G166), G163 (= G168), I166 (= I171), F200 (= F205), I201 (= I206), E273 (= E277), I275 (≠ L279), M286 (≠ I290), E287 (= E291)
binding magnesium ion: E273 (= E277), E287 (= E291)

2vqdA Crystal structure of biotin carboxylase from pseudomonas aeruginosa complexed with ampcp (see paper)
52% identity, 98% coverage: 5:454/457 of query aligns to 2:445/447 of 2vqdA

query
sites
2vqdA

I

L

H

E

K

K

L

V

L

L

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

K

K

E

E

L

L

G

G

I

I

P

K

T

T

V

V

A

A

A

V

C

H

S

S

E

T

A

A

D

D

V

R

D

E

S

L

Q

M

A

H

A

L

R

S

M

L

A

A

D

D

E

E

V

S

H

V

I

C

L

I

G

G

P

P

A

A

R

P

A

A

D

T

K

Q

S

S

Y

Y

L

L

N

Q

V

I

E

P

A

A

L

I

G

A

A

A

L

A

K

E

A

V

T

T

G

G

A

A

N

T

A

A

V

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

A

E

E

N

N

A

A

D

D

F

F

A

A

E

E

A

Q

V

I

V

E

A

R

A

S

G

G

A

F

I

T

F

F

V

V

G

G

P

P

S

T

A

A

E

E

T

V

I

I

R

R

R

L

M

M

G

G

D

D

K
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K

A

V

E

S

A

A

R

K

R

D

T

A

A

M

Q

K

A

R

A

A

G

G

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V

P

P

V

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V

V

P

P

G

G

S

S

P

D

G

G

E

P

L

L

-

P

F

E

D

D

V

E

E

E

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T

A

A

L

L

Q

A

A

I

A

A

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S

E

V

V

G

G

F

Y

P

P

L

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L
x
I

I

I

K
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K

A

A

S

A

A

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G

G

G
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G

G

G

G
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G

R

R

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G

I

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L

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R

T

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E

A

A

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G

A

A

F

F

G

G

N

N

G
x
P

A

M

V

V

Y

Y

L

L

E

E

R

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F
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F

I
x
L

S

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R

N

A

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R

R

H
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H

I

V

E

E

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V

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Q

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V

L

L

G

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D

D

G

G

Q

Q

-

G

H

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A

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D

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P

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Y

Y

D

D

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S

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L

L

V

A

G

K

K

L

V

I

I

I

T

H

Y

G

G

A

A

D

D

R

R

A

D

E

E

A

A

L

L

A

A

R

R

A

M

R

R

M

N

A

A

V

L

A

D

H

E

T

L

T

I

L

V

T

D

G

G

M

I

A

K

N

T

T

N

L

T

A

E

L

L

H

H

G

K

E

D

L

L

L

-

E

-

Q

-

P

-

W

-

L

V

H

R

S

D

A

A

D

A

F

F

H

C

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K

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G

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G

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T
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G

active site: K116 (= K119), K159 (= K161), P196 (≠ G198), H209 (= H211), R235 (= R236), T274 (= T275), E276 (= E277), E288 (= E291), N290 (= N293), R292 (= R295), E296 (= E299), R338 (= R341)
binding phosphomethylphosphonic acid adenosyl ester: K116 (= K119), I157 (≠ L159), K159 (= K161), G164 (= G166), G166 (= G168), F203 (= F205), L204 (≠ I206), H209 (= H211), Q233 (= Q234), H236 (≠ R237), L278 (= L279), E288 (= E291), I437 (≠ T446)
binding magnesium ion: E276 (= E277), E288 (= E291)

4mv4A Crystal structure of biotin carboxylase from haemophilus influenzae in complex with amppcp and mg2 (see paper)
49% identity, 98% coverage: 5:454/457 of query aligns to 2:442/442 of 4mv4A

query
sites
4mv4A

I

L

H

E

K

K

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

K

K

E

E

L

L

G

G

I

I

P

K

T

T

V

V

A

A

A

V

C

H

S

S

E

T

A

A

D

D

V

R

D

D

S

L

Q

K

A

H

A

V

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L

M

L

A

A

D

D

E

E

V

T

H

I

I

C

L

I

G

G

P

P

A

A

R

P

A

S

D

A

K

K

S

S

Y

Y

L

L

N

N

V

I

E

P

A

A

L

I

G

A

A

A

L

A

K

E

A

V

T

T

G

G

A

A

N

D

A

A

V

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

D

F

F

A

A

E

E

A

Q

V

V

V

E

A

R

A

S

G

G

A

F

I

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F

F

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G

G

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P

S

T

A

A

E

D

T

V

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I

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R

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M

M

G

G

D

D

K
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K

A

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E

S

A

A

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K

T

A

A

M

Q

K

A

K

A

A

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C

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P

G

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D

P

P

A

-

R

K

D

T

F

F

F

L

P

P

S

S

P

P

G

G

L

K

V

V

E

N

E

H

L

L

I

H

W

S

P

P

N

G

G

G

A

L

G

G

I

V

R

R

V

W

D

D

T

S

H

H

L

V

Y

Y

Q

G

G

G

Y

Y

R

T

V

V

P

P

Y

H

Y

Y

D

D

S

S

L

M

L

I

A

A

K

K

L

L

I

I

I

T

H

Y

G

G

A

D

D

T

R

R

A

E

E

V

A

A

L

I

A

R

R

R

A

M

R

Q

M

N

A

A

V

L

A

S

H

E

T

T

T

I

L

I

T

D

G

G

M

I

A

K

N

T

T

N

L

I

A

P

L

L

H

H

G

E

E

L

L

I

L

L

E

E

Q

-

P

-

W

-

L

-

H

-

S

D

A

E

D

N

F

F

H

Q

T

K

G

G

T

G

L

T

E

N

T

I

W

H

L

Y

A

L

E

E

R

K

S

L

G

G

active site: K116 (= K119), K159 (= K161), D193 (≠ G198), H206 (= H211), R232 (= R236), T271 (= T275), E273 (= E277), E285 (= E291), N287 (= N293), R289 (= R295), E293 (= E299), R335 (= R341)
binding phosphomethylphosphonic acid adenylate ester: K159 (= K161), G164 (= G166), M166 (≠ G168), E198 (= E203), Y200 (≠ F205), L201 (≠ I206), H233 (≠ R237), L275 (= L279), E285 (= E291)
binding magnesium ion: E273 (= E277), E285 (= E291)

6oi8A Crystal structure of haemophilus influenzae biotin carboxylase complexed with 7-((1r,5s,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl)- 6-(2-chloro-6-(pyridin-3-yl)phenyl)pyrido[2,3-d]pyrimidin-2-amine (see paper)
48% identity, 98% coverage: 5:454/457 of query aligns to 2:440/440 of 6oi8A

query
sites
6oi8A

I

L

H

E

K

K

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

K

K

E

E

L

L

G

G

I

I

P

K

T

T

V

V

A

A

A

V

C

H

S

S

E

T

A

A

D

D

V

R

D

D

S

L

Q

K

A

H

A

V

R

L

M

L

A

A

D

D

E

E

V

T

H

I

I

C

L

I

G

G

P

P

A

A

R

P

A

S

D

A

K

K

S

S

Y

Y

L

L

N

N

V

I

E

P

A

A

L

I

G

A

A

A

L

A

K

E

A

V

T

T

G

G

A

A

N

D

A

A

V

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

D

F

F

A

A

E

E

A

Q

V

V

V

E

A

R

A

S

G

G

A

F

I

T

F

F

V

I

G

G

P

P

S

T

A

A

E

D

T

V

I

I

R

R

R

L

M

M

G

G

D

D

K
|
K

A

V

E

S

A

A

R

I

R

K

T

A

A

M

Q

K

A

K

A

A

G

G

V

V

P

P

V

C

V

V

P

P

G

G

S

S

P

D

G

G

E

P

L

V

F

S

-

N

D

D

V

I

E

A

S

K

A

N

L

K

Q

E

A

I

A

A

Q

K

S

R

V

I

G

G

F

Y

P

P

L

I

L
x
I

I

I

K
|
K

A

A

S

S

A

G

G

-

R

-

G

G

I
x
M

R

R

L

V

A

V

E

R

N

S

A

E

E

D

Q

A

L

L

S

E

E

E

E

S

F

I

P

A

R

M

S

T

Q

K

R

A

E

E

A

A

Q

K

A

A

F

F

G

N

N

N

G
x
D

A

M

V

V

Y

Y

L

M

E
|
E

R

K

F
x
Y

I
x
L

S

E

R

N

A

P

R

R

H
|
H

I

V

E

E

V

I

Q

Q

V

V

L

L

G

A

D

D

G

T

Q

H

-

G

H

N

A

A

V

V

H

Y

L

L

F

A

E

E

R

R

E

D

C

C

S

S

L

M

Q
|
Q

R

R

R
|
R

R

H

Q

Q

K

K

I

V

F

V

E

E

A

A

P

P

S

A

P

P

V

G

L

I

S

T

Q

E

Q

V

R

R

K

R

T

D

L

I

C

G

E

S

S

R

A

C

V

A

R

N

L

A

T

C

E

V

S

E

L

I

G

G

Y

Y

K

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

Y

F

L
|
L

Y

Y

D

E

D

N

A

-

T

-

G

G

E

E

F

F

F

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

I

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

S

T

E

E

L

M

I

I

T

T

G

G

I

V

D

D

L

L

V

V

Q

K

S

E

M

Q

L

L

R

R

I

I

A

A

G

A

G

G

E

L

P

P

L

I

G

S

F

F

K

K

Q

Q

S

E

D

D

I

I

R

K

L

V

N

K

G

G

A

H

A

A

L

M

Q

E

M

C

R
|
R

L

I

N

N

A

A

E

E

D

D

P

P

A

-

R

K

D

T

F

F

F

L

P

P

S

S

P

P

G

G

L

K

V

V

E

N

E

H

L

L

I

H

W

S

P

P

N

G

G

G

A

L

G

G

I

V

R

R

V

W

D

D

T

S

H

H

L

V

Y

Y

Q

G

G

G

Y

Y

R

T

V

V

P

P

Y

H

Y

Y

D

D

S

S

L

M

L

I

A

A

K

K

L

L

I

I

I

T

H

Y

G

G

A

D

D

T

R

R

A

E

E

V

A

A

L

I

A

R

R

R

A

M

R

Q

M

N

A

A

V

L

A

S

H

E

T

T

T

I

L

I

T

D

G

G

M

I

A

K

N

T

T

N

L

I

A

P

L

L

H

H

G

E

E

L

L

I

L

L

E

E

Q

-

P

-

W

-

L

-

H

-

S

D

A

E

D

N

F

F

H

Q

T

K

G

G

T

G

L

T

E

N

T
x
I

W

H

L

Y

A

L

E

E

R

K

S

L

G

G

active site: K116 (= K119), K159 (= K161), D191 (≠ G198), H204 (= H211), R230 (= R236), T269 (= T275), E271 (= E277), E283 (= E291), N285 (= N293), R287 (= R295), E291 (= E299), R333 (= R341)
binding 7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-[2-chloro-6-(pyridin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine: I157 (≠ L159), K159 (= K161), M164 (≠ I171), E196 (= E203), Y198 (≠ F205), L199 (≠ I206), H204 (= H211), Q228 (= Q234), E271 (= E277), L273 (= L279), E283 (= E291), I432 (≠ T446)

4mv3A Crystal structure of biotin carboxylase from haemophilus influenzae in complex with amppcp and bicarbonate (see paper)
48% identity, 98% coverage: 5:454/457 of query aligns to 2:439/439 of 4mv3A

query
sites
4mv3A

I

L

H

E

K

K

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

K

K

E

E

L

L

G

G

I

I

P

K

T

T

V

V

A

A

A

V

C

H

S

S

E

T

A

A

D

D

V

R

D

D

S

L

Q

K

A

H

A

V

R

L

M

L

A

A

D

D

E

E

V

T

H

I

I

C

L

I

G

G

P

P

A

A

R

P

A

S

D

A

K

K

S

S

Y

Y

L

L

N

N

V

I

E

P

A

A

L

I

G

A

A

A

L

A

K

E

A

V

T

T

G

G

A

A

N

D

A

A

V

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

D

F

F

A

A

E

E

A

Q

V

V

V

E

A

R

A

S

G

G

A

F

I

T

F

F

V

I

G

G

P

P

S

T

A

A

E

D

T

V

I

I

R

R

R

L

M

M

G

G

D

D

K
|
K

A

V

E

S

A

A

R

I

R

K

T

A

A

M

Q

K

A

K

A

A

G

G

V

V

P

P

V

C

V

V

P

P

G

G

S

S

P

D

G

G

E

P

L

V

F

S

-

N

D

D

V

I

E

A

S

K

A

N

L

K

Q

E

A

I

A

A

Q

K

S

R

V

I

G

G

F

Y

P

P

L

I

I

I

K
|
K

A

A

S

S

A

-

G

-

R

-

G

G

I
x
M

R

R

L

V

A

V

E

R

N

S

A

E

E

D

Q

A

L

L

S

E

E

E

E

S

F

I

P

A

R

M

S

T

Q

K

R

A

E

E

A

A

Q

K

A

A

F

F

G

N

N

N

G
x
D

A

M

V

V

Y

Y

L

M

E
|
E

R

K

F
x
Y

I
x
L

S

E

R

N

A

P

R

R

H
|
H

I

V

E

E

V

I

Q

Q

V

V

L

L

G

A

D

D

G

T

Q

H

-

G

H

N

A

A

V

V

H

Y

L

L

F

A

E

E

R

R

E

D

C

C

S

S

L

M

Q

Q

R

R

R
|
R

R

H

Q

Q

K

K

I

V

F

V

E

E

A

A

P

P

S

A

P

P

V

G

L

I

S

T

Q

E

Q

V

R

R

K

R

T

D

L

I

C

G

E

S

S

R

A

C

V

A

R

N

L

A

T

C

E

V

S

E

L

I

G

G

Y

Y

K

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

Y

F

L
|
L

Y

Y

D

E

D

N

A

-

T

-

G

G

E

E

F

F

F

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

I

I

Q
|
Q

V
|
V

E
|
E

H

H

P

P

V

V

S

T

E

E

L

M

I

I

T

T

G

G

I

V

D

D

L

L

V

V

Q

K

S

E

M

Q

L

L

R

R

I

I

A

A

G

A

G

G

E

L

P

P

L

I

G

S

F

F

K

K

Q

Q

S

E

D

D

I

I

R

K

L

V

N

K

G

G

A

H

A

A

L

M

Q

E

M

C

R
|
R

L

I

N

N

A

A

E

E

D

D

P

P

A

-

R

K

D

T

F

F

F

L

P

P

S

S

P

P

G

G

L

K

V

V

E

N

E

H

L

L

I

H

W

S

P

P

N

G

G

G

A

L

G

G

I

V

R

R

V

W

D

D

T

S

H

H

L

V

Y

Y

Q

G

G

G

Y

Y

R

T

V

V

P

P

Y

H

Y

Y

D

D

S

S

L

M

L

I

A

A

K

K

L

L

I

I

I

T

H

Y

G

G

A

D

D

T

R

R

A

E

E

V

A

A

L

I

A

R

R

R

A

M

R

Q

M

N

A

A

V

L

A

S

H

E

T

T

T

I

L

I

T

D

G

G

M

I

A

K

N

T

T

N

L

I

A

P

L

L

H

H

G

E

E

L

L

I

L

L

E

E

Q

-

P

-

W

-

L

-

H

-

S

D

A

E

D

N

F

F

H

Q

T

K

G

G

T

G

L

T

E

N

T

I

W

H

L

Y

A

L

E

E

R

K

S

L

G

G

active site: K116 (= K119), K159 (= K161), D190 (≠ G198), H203 (= H211), R229 (= R236), T268 (= T275), E270 (= E277), E282 (= E291), N284 (= N293), R286 (= R295), E290 (= E299), R332 (= R341)
binding phosphomethylphosphonic acid adenylate ester: K159 (= K161), M163 (≠ I171), E195 (= E203), Y197 (≠ F205), L198 (≠ I206), E270 (= E277), L272 (= L279), E282 (= E291)
binding bicarbonate ion: R286 (= R295), Q288 (= Q297), V289 (= V298)

P43873 Biotin carboxylase; Acetyl-coenzyme A carboxylase biotin carboxylase subunit A; EC 6.3.4.14 from Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) (see paper)
49% identity, 98% coverage: 5:454/457 of query aligns to 2:445/448 of P43873

query
sites
P43873

I

L

H

E

K

K

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

K

K

E

E

L

L

G

G

I

I

P

K

T

T

V

V

A

A

A

V

C

H

S

S

E

T

A

A

D

D

V

R

D

D

S

L

Q

K

A

H

A

V

R

L

M

L

A

A

D

D

E

E

V

T

H

I

I

C

L

I

G

G

P

P

A

A

R

P

A

S

D

A

K

K

S

S

Y

Y

L

L

N

N

V

I

E

P

A

A

L

I

G

A

A

A

L

A

K

E

A

V

T

T

G

G

A

A

N

D

A

A

V

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

D

F

F

A

A

E

E

A

Q

V

V

V

E

A

R

A

S

G

G

A

F

I

T

F

F

V

I

G

G

P

P

S

T

A

A

E

D

T

V

I

I

R

R

R

L

M

M

G

G

D

D

K
|
K

A

V

E

S

A

A

R

I

R

K

T

A

A

M

Q

K

A

K

A

A

G

G

V

V

P

P

V

C

V

V

P

P

G

G

S

S

P

D

G

G

E

P

L

V

F

S

-

N

D

D

V

I

E

A

S

K

A

N

L

K

Q

E

A

I

A

A

Q

K

S

R

V

I

G

G

F

Y

P

P

L

I

I

I

K
|
K

A

A

S

S

A

G

G

G

R

R

G

G

I

M

R

R

L

V

A

V

E

R

N

S

A

E

E

D

Q

A

L

L

S

E

E

E

E

S

F

I

P

A

R

M

S

T

Q

K

R

A

E

E

A

A

Q

K

A

A

F

F

G

N

N

N

G

D

A

M

V

V

Y

Y

L

M

E
|
E

R
x
K

F
x
Y

I
x
L

S

E

R

N

A

P

R

R

H

H

I

V

E

E

V

I

Q

Q

V

V

L

L

G

A

D

D

G

T

Q

H

-

G

H

N

A

A

V

V

H

Y

L

L

F

A

E

E

R

R

E

D

C

C

S

S

L

M

Q

Q

R

R

R

H

Q

Q

K

K

I

V

F

V

E

E

A

A

P

P

S

A

P

P

V

G

L

I

S

T

Q

E

Q

V

R

R

K

R

T

D

L

I

C

G

E

S

S

R

A

C

V

A

R

N

L

A

T

C

E

V

S

E

L

I

G

G

Y

Y

K

R

G

G

A

A

G

G

T

T

L

F

E
|
E

Y

F

L

L

Y

Y

D

E

D

N

A

-

T

-

G

G

E

E

F

F

F

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R

R

I

I

Q

Q

V

V

E

E

H

H

P

P

V

V

S

T

E

E

L

M

I

I

T

T

G

G

I

V

D

D

L

L

V

V

Q

K

S

E

M

Q

L

L

R

R

I

I

A

A

G

A

G

G

E

L

P

P

L

I

G

S

F

F

K

K

Q

Q

S

E

D

D

I

I

R

K

L

V

N

K

G

G

A

H

A

A

L

M

Q

E

M

C

R

R

L

I

N

N

A

A

E

E

D

D

P

P

A

-

R

K

D

T

F

F

F

L

P

P

S

S

P

P

G

G

L

K

V

V

E

N

E

H

L

L

I

H

W

S

P

P

N

G

G

G

A

L

G

G

I

V

R

R

V

W

D

D

T

S

H

H

L

V

Y

Y

Q

G

G

G

Y

Y

R

T

V

V

P

P

Y

H

Y

Y

D

D

S

S

L

M

L

I

A

A

K

K

L

L

I

I

I

T

H

Y

G

G

A

D

D

T

R

R

A

E

E

V

A

A

L

I

A

R

R

R

A

M

R

Q

M

N

A

A

V

L

A

S

H

E

T

T

T

I

L

I

T

D

G

G

M

I

A

K

N

T

T

N

L

I

A

P

L

L

H

H

G

E

E

L

L

I

L

L

E

E

Q

-

P

-

W

-

L

-

H

-

S

D

A

E

D

N

F

F

H

Q

T

K

G

G

T

G

L

T

E

N

T

I

W

H

L

Y

A

L

E

E

R

K

S

L

G

G

K116 (= K119) binding
K159 (= K161) binding
EKYL 201:204 (≠ ERFI 203:206) binding
E276 (= E277) binding ; binding
E288 (= E291) binding ; binding
N290 (= N293) binding

6ojhA Crystal structure of haemophilus influenzae biotin carboxylase complexed with (r)-7-(3-aminopyrrolidin-1-yl)-6-(naphthalen-1-yl) pyrido[2,3-d]pyrimidin-2-amine
49% identity, 98% coverage: 5:454/457 of query aligns to 2:445/445 of 6ojhA

query
sites
6ojhA

I

L

H

E

K

K

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

K

K

E

E

L

L

G

G

I

I

P

K

T

T

V

V

A

A

A

V

C

H

S

S

E

T

A

A

D

D

V

R

D

D

S

L

Q

K

A

H

A

V

R

L

M

L

A

A

D

D

E

E

V

T

H

I

I

C

L

I

G

G

P

P

A

A

R

P

A

S

D

A

K

K

S

S

Y

Y

L

L

N

N

V

I

E

P

A

A

L

I

G

A

A

A

L

A

K

E

A

V

T

T

G

G

A

A

N

D

A

A

V

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

D

F

F

A

A

E

E

A

Q

V

V

V

E

A

R

A

S

G

G

A

F

I

T

F

F

V

I

G

G

P

P

S

T

A

A

E

D

T

V

I

I

R

R

R

L

M

M

G

G

D

D

K
|
K

A

V

E

S

A

A

R

I

R

K

T

A

A

M

Q

K

A

K

A

A

G

G

V

V

P

P

V

C

V

V

P

P

G

G

S

S

P

D

G

G

E

P

L

V

F

S

-

N

D

D

V

I

E

A

S

K

A

N

L

K

Q

E

A

I

A

A

Q

K

S

R

V

I

G

G

F

Y

P

P

L

I

I

I

K
|
K

A

A

S

S

A

G

G

G

R

R

G

G

I
x
M

R

R

L

V

A

V

E

R

N

S

A

E

E

D

Q

A

L

L

S

E

E

E

E

S

F

I

P

A

R

M

S

T

Q

K

R

A

E

E

A

A

Q

K

A

A

F

F

G

N

N

N

G
x
D

A

M

V

V

Y

Y

L

M

E
|
E

R

K

F
x
Y

I
x
L

S

E

R

N

A

P

R

R

H
|
H

I

V

E

E

V

I

Q

Q

V

V

L

L

G

A

D

D

G

T

Q

H

-

G

H

N

A

A

V

V

H

Y

L

L

F

A

E

E

R

R

E

D

C

C

S

S

L

M

Q

Q

R

R

R
|
R

R
x
H

Q

Q

K

K

I

V

F

V

E

E

A

A

P

P

S

A

P

P

V

G

L

I

S

T

Q

E

Q

V

R

R

K

R

T

D

L

I

C

G

E

S

S

R

A

C

V

A

R

N

L

A

T

C

E

V

S

E

L

I

G

G

Y

Y

K

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

Y

F

L
|
L

Y

Y

D

E

D

N

A

-

T

-

G

G

E

E

F

F

F

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

I

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

S

T

E

E

L

M

I

I

T

T

G

G

I

V

D

D

L

L

V

V

Q

K

S

E

M

Q

L

L

R

R

I

I

A

A

G

A

G

G

E

L

P

P

L

I

G

S

F

F

K

K

Q

Q

S

E

D

D

I

I

R

K

L

V

N

K

G

G

A

H

A

A

L

M

Q

E

M

C

R
|
R

L

I

N

N

A

A

E

E

D

D

P

P

A

-

R

K

D

T

F

F

F

L

P

P

S

S

P

P

G

G

L

K

V

V

E

N

E

H

L

L

I

H

W

S

P

P

N

G

G

G

A

L

G

G

I

V

R

R

V

W

D

D

T

S

H

H

L

V

Y

Y

Q

G

G

G

Y

Y

R

T

V

V

P

P

Y

H

Y

Y

D

D

S

S

L

M

L

I

A

A

K

K

L

L

I

I

I

T

H

Y

G

G

A

D

D

T

R

R

A

E

E

V

A

A

L

I

A

R

R

R

A

M

R

Q

M

N

A

A

V

L

A

S

H

E

T

T

T

I

L

I

T

D

G

G

M

I

A

K

N

T

T

N

L

I

A

P

L

L

H

H

G

E

E

L

L

I

L

L

E

E

Q

-

P

-

W

-

L

-

H

-

S

D

A

E

D

N

F

F

H

Q

T

K

G

G

T

G

L

T

E

N

T
x
I

W

H

L

Y

A

L

E

E

R

K

S

L

G

G

active site: K116 (= K119), K159 (= K161), D196 (≠ G198), H209 (= H211), R235 (= R236), T274 (= T275), E276 (= E277), E288 (= E291), N290 (= N293), R292 (= R295), E296 (= E299), R338 (= R341)
binding calcium ion: E276 (= E277), E288 (= E291), N290 (= N293)
binding 7-[(3R)-3-aminopyrrolidin-1-yl]-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine: K159 (= K161), M169 (≠ I171), E201 (= E203), Y203 (≠ F205), L204 (≠ I206), H236 (≠ R237), L278 (= L279), E288 (= E291), I437 (≠ T446)

2vr1A Crystal structure of biotin carboxylase from e. Coli in complex with atp analog, adpcf2p. (see paper)
48% identity, 98% coverage: 5:454/457 of query aligns to 2:443/444 of 2vr1A

query
sites
2vr1A

I

L

H

D

K

K

L

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

K

K

E

E

L

L

G

G

I

I

P

K

T

T

V

V

A

A

A

V

C

H

S

S

E

S

A

A

D

D

V

R

D

D

S

L

Q

K

A

H

A

V

R

L

M

L

A

A

D

D

E

E

V

T

H

V

I

C

L

I

G

G

P

P

A

A

R

P

A

S

D

V

K

K

S

S

Y

Y

L

L

N

N

V

I

E

P

A

A

L

I

G

S

A

A

L

A

K

E

A

I

T

T

G

G

A

A

N

V

A

A

V

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

A

Q

V

V

V

E

A

R

A

S

G

G

A

F

I

I

F

F

V

I

G

G

P

P

S

K

A

A

E

E

T

T

I

I

R

R

R

L

M

M

G

G

D

D

K
|
K

A

V

E

S

A

A

R

I

R

A

T

A

A

M

Q

K

A

K

A

A

G

G

V

V

P

P

V

C

V

V

P

P

G

G

S

S

P

D

G

G

E

P

L

L

-

G

F

D

D

D

V

M

E

D

S

K

A

N

L

R

Q

A

A

I

A

A

Q

K

S

R

V

I

G

G

F

Y

P

P

L

V

L

I

I

I

K
|
K

A

A

S

S

A

-

G

-

G

G

R
|
R

G

G

I
x
M

R

R

L

V

A

V

E

R

N

G

A

D

E

A

Q

E

L

L

S

A

E

Q

E

S

F

I

P

S

R

M

S

T

Q

R

R

A

E

E

A

A

Q

K

A

A

F

F

G

S

N

N

G
x
D

A

M

V

V

Y

Y

L

M

E

E

R

K

F
x
Y

I
x
L

S

E

R

N

A

P

R

R

H
|
H

I

V

E

E

V

I

Q

Q

V

V

L

L

G

A

D

D

G

G

Q

Q

-

G

H

N

A

A

V

I

H

Y

L

L

F

A

E

E

R

R

E

D

C

C

S

S

L

M

Q

Q

R

R

R
|
R

R

H

Q

Q

K

K

I

V

F

V

E

E

A

A

P

P

S

A

P

P

V

G

L

I

S

T

Q

P

Q

E

Q

L

R

R

K

R

T

Y

L

I

C

G

E

E

S

R

A

C

V

A

R

K

L

A

T

C

E

V

S

D

L

I

G

G

Y

Y

K

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

Y

F

L
|
L

Y

F

D

E

D

N

A

-

T

-

G

G

E

E

F

F

F

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

I

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

S

T

E

E

L

M

I

I

T

T

G

G

I

V

D

D

L

L

V

I

Q

K

S

E

M

Q

L

L

R

R

I

I

A

A

G

A

G

G

E

Q

P

P

L

L

G

S

F

I

K

K

Q

Q

S

E

D

E

I

V

R

H

L

V

N

R

G

G

A

H

A

A

L

V

Q

E

M

C

R
|
R

L

I

N

N

A

A

E

E

D

D

P

P

A

-

R

N

D

T

F

F

F

L

P

P

S

S

P

P

G

G

L

K

V

I

E

T

E

R

L

F

I

H

W

A

P

P

N

G

G

G

A

F

G

G

I

V

R

R

V

W

D

E

T

S

H

H

L

I

Y

Y

Q

A

G

G

Y

Y

R

T

V

V

P

P

Y

Y

D

D

S

S

L

M

L

I

A

G

K

K

L

L

I

I

I

C

H

Y

G

G

A

E

D

N

R

R

A

D

E

V

A

A

L

I

A

A

R

R

A

M

R

K

M

N

A

A

V

L

A

Q

H

E

T

L

T

I

L

I

T

D

G

G

M

I

A

K

N

T

T

N

L

V

A

D

L

L

H

Q

G

I

E

R

L

I

L

-

E

-

Q

-

P

-

W

-

L

M

H

N

S

D

A

E

D

N

F

F

H

Q

T

H

G

G

T

G

L

T

E

N

T
x
I

W

H

L

Y

A

L

E

E

R

K

S

L

G

G

active site: K116 (= K119), K159 (= K161), D194 (≠ G198), H207 (= H211), R233 (= R236), T272 (= T275), E274 (= E277), E286 (= E291), N288 (= N293), R290 (= R295), E294 (= E299), R336 (= R341)
binding phosphodifluoromethylphosphonic acid-adenylate ester: K159 (= K161), R165 (= R169), M167 (≠ I171), Y201 (≠ F205), L202 (≠ I206), E274 (= E277), L276 (= L279), E286 (= E291), N288 (= N293), I435 (≠ T446)

3jziA Crystal structure of biotin carboxylase from e. Coli in complex with benzimidazole series (see paper)
48% identity, 98% coverage: 5:454/457 of query aligns to 2:445/445 of 3jziA

query
sites
3jziA

I

L

H

D

K

K

L

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

K

K

E

E

L

L

G

G

I

I

P

K

T

T

V

V

A

A

A

V

C

H

S

S

E

S

A

A

D

D

V

R

D

D

S

L

Q

K

A

H

A

V

R

L

M

L

A

A

D

D

E

E

V

T

H

V

I

C

L

I

G

G

P

P

A

A

R

P

A

S

D

V

K

K

S

S

Y

Y

L

L

N

N

V

I

E

P

A

A

L

I

G

S

A

A

L

A

K

E

A

I

T

T

G

G

A

A

N

V

A

A

V

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

A

Q

V

V

V

E

A

R

A

S

G

G

A

F

I

I

F

F

V

I

G

G

P

P

S

K

A

A

E

E

T

T

I

I

R

R

R

L

M

M

G

G

D

D

K
|
K

A

V

E

S

A

A

R

I

R

A

T

A

A

M

Q

K

A

K

A

A

G

G

V

V

P

P

V

C

V

V

P

P

G

G

S

S

P

D

G

G

E

P

L

L

-

G

F

D

D

D

V

M

E

D

S

K

A

N

L

R

Q

A

A

I

A

A

Q

K

S

R

V

I

G

G

F

Y

P

P

L

V

L

I

I

I

K
|
K

A
|
A

S

S

A

G

G

G

G
|
G

G

G

R

R

G

G

I
x
M

R

R

L

V

A

V

E

R

N

G

A

D

E

A

Q

E

L

L

S

A

E

Q

E

S

F

I

P

S

R

M

S

T

Q

R

R

A

E

E

A

A

Q

K

A

A

F

F

G

S

N

N

G
x
D

A

M

V

V

Y
|
Y

L

M

E
|
E

R
x
K

F
x
Y

I

L

S

E

R

N

A

P

R

R

H
|
H

I

V

E

E

V

I

Q

Q

V

V

L

L

G

A

D

D

G

G

Q

Q

-

G

H

N

A

A

V

I

H

Y

L

L

F

A

E

E

R

R

E

D

C

C

S

S

L

M

Q
|
Q

R

R

R
|
R

R
x
H

Q

Q

K

K

I

V

F

V

E

E

A

A

P

P

S

A

P

P

V

G

L

I

S

T

Q

P

Q

E

Q

L

R

R

K

R

T

Y

L

I

C

G

E

E

S

R

A

C

V

A

R

K

L

A

T

C

E

V

S

D

L

I

G

G

Y

Y

K

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

Y

F

L
|
L

Y

F

D

E

D

N

A

-

T

-

G

G

E

E

F

F

F

Y

F

F

I
|
I

E
|
E

M

M

N
|
N

T

T

R
|
R

I

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

S

T

E

E

L

M

I

I

T

T

G

G

I

V

D

D

L

L

V

I

Q

K

S

E

M

Q

L

L

R

R

I

I

A

A

G

A

G

G

E

Q

P

P

L

L

G

S

F

I

K

K

Q

Q

S

E

D

E

I

V

R

H

L

V

N

R

G

G

A

H

A

A

L

V

Q

E

M

C

R
|
R

L

I

N

N

A

A

E

E

D

D

P

P

A

-

R

N

D

T

F

F

F

L

P

P

S

S

P

P

G

G

L

K

V

I

E

T

E

R

L

F

I

H

W

A

P

P

N

G

G

G

A

F

G

G

I

V

R

R

V

W

D

E

T

S

H

H

L

I

Y

Y

Q

A

G

G

Y

Y

R

T

V

V

P

P

Y

Y

D

D

S

S

L

M

L

I

A

G

K

K

L

L

I

I

I

C

H

Y

G

G

A

E

D

N

R

R

A

D

E

V

A

A

L

I

A

A

R

R

A

M

R

K

M

N

A

A

V

L

A

Q

H

E

T

L

T

I

L

I

T

D

G

G

M

I

A

K

N

T

T

N

L

V

A

D

L

L

H

Q

G

I

E

R

L

I

L

-

E

-

Q

-

P

-

W

-

L

M

H

N

S

D

A

E

D

N

F

F

H

Q

T

H

G

G

T

G

L

T

E

N

T

I

W

H

L

Y

A

L

E

E

R

K

S

L

G

G

active site: K116 (= K119), K159 (= K161), D196 (≠ G198), H209 (= H211), R235 (= R236), T274 (= T275), E276 (= E277), E288 (= E291), N290 (= N293), R292 (= R295), E296 (= E299), R338 (= R341)
binding 7-amino-2-[(2-chlorobenzyl)amino]-1-{[(1S,2S)-2-hydroxycycloheptyl]methyl}-1H-benzimidazole-5-carboxamide: K116 (= K119), K159 (= K161), A160 (= A162), G164 (= G166), G165 (= G167), M169 (≠ I171), Y199 (= Y201), E201 (= E203), K202 (≠ R204), Y203 (≠ F205), H209 (= H211), Q233 (= Q234), H236 (≠ R237), L278 (= L279), I287 (= I290), E288 (= E291)

2w6oA Crystal structure of biotin carboxylase from e. Coli in complex with 4-amino-7,7-dimethyl-7,8-dihydro-quinazolinone fragment (see paper)
48% identity, 98% coverage: 5:454/457 of query aligns to 2:445/445 of 2w6oA

query
sites
2w6oA

I

L

H

D

K

K

L

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

K

K

E

E

L

L

G

G

I

I

P

K

T

T

V

V

A

A

A

V

C

H

S

S

E

S

A

A

D

D

V

R

D

D

S

L

Q

K

A

H

A

V

R

L

M

L

A

A

D

D

E

E

V

T

H

V

I

C

L

I

G

G

P

P

A

A

R

P

A

S

D

V

K

K

S

S

Y

Y

L

L

N

N

V

I

E

P

A

A

L

I

G

S

A

A

L

A

K

E

A

I

T

T

G

G

A

A

N

V

A

A

V

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

A

Q

V

V

V

E

A

R

A

S

G

G

A

F

I

I

F

F

V

I

G

G

P

P

S

K

A

A

E

E

T

T

I

I

R

R

R

L

M

M

G

G

D

D

K
|
K

A

V

E

S

A

A

R

I

R

A

T

A

A

M

Q

K

A

K

A

A

G

G

V

V

P

P

V

C

V

V

P

P

G

G

S

S

P

D

G

G

E

P

L

L

-

G

F

D

D

D

V

M

E

D

S

K

A

N

L

R

Q

A

A

I

A

A

Q

K

S

R

V

I

G

G

F

Y

P

P

L

V

L

I

I

I

K
|
K

A

A

S

S

A

G

G

G

R

R

G

G

I

M

R

R

L

V

A

V

E

R

N

G

A

D

E

A

Q

E

L

L

S

A

E

Q

E

S

F

I

P

S

R

M

S

T

Q

R

R

A

E

E

A

A

Q

K

A

A

F

F

G

S

N

N

G
x
D

A

M

V

V

Y

Y

L

M

E

E

R
x
K

F
x
Y

I
x
L

S

E

R

N

A

P

R

R

H
|
H

I

V

E

E

V

I

Q

Q

V

V

L

L

G

A

D

D

G

G

Q

Q

-

G

H

N

A

A

V

I

H

Y

L

L

F

A

E

E

R

R

E

D

C

C

S

S

L

M

Q

Q

R

R

R
|
R

R

H

Q

Q

K

K

I

V

F

V

E

E

A

A

P

P

S

A

P

P

V

G

L

I

S

T

Q

P

Q

E

Q

L

R

R

K

R

T

Y

L

I

C

G

E

E

S

R

A

C

V

A

R

K

L

A

T

C

E

V

S

D

L

I

G

G

Y

Y

K

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

Y

F

L
|
L

Y

F

D

E

D

N

A

-

T

-

G

G

E

E

F

F

F

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

I

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

S

T

E

E

L

M

I

I

T

T

G

G

I

V

D

D

L

L

V

I

Q

K

S

E

M

Q

L

L

R

R

I

I

A

A

G

A

G

G

E

Q

P

P

L

L

G

S

F

I

K

K

Q

Q

S

E

D

E

I

V

R

H

L

V

N

R

G

G

A

H

A

A

L

V

Q

E

M

C

R
|
R

L

I

N

N

A

A

E

E

D

D

P

P

A

-

R

N

D

T

F

F

F

L

P

P

S

S

P

P

G

G

L

K

V

I

E

T

E

R

L

F

I

H

W

A

P

P

N

G

G

G

A

F

G

G

I

V

R

R

V

W

D

E

T

S

H

H

L

I

Y

Y

Q

A

G

G

Y

Y

R

T

V

V

P

P

Y

Y

D

D

S

S

L

M

L

I

A

G

K

K

L

L

I

I

I

C

H

Y

G

G

A

E

D

N

R

R

A

D

E

V

A

A

L

I

A

A

R

R

A

M

R

K

M

N

A

A

V

L

A

Q

H

E

T

L

T

I

L

I

T

D

G

G

M

I

A

K

N

T

T

N

L

V

A

D

L

L

H

Q

G

I

E

R

L

I

L

-

E

-

Q

-

P

-

W

-

L

M

H

N

S

D

A

E

D

N

F

F

H

Q

T

H

G

G

T

G

L

T

E

N

T
x
I

W

H

L

Y

A

L

E

E

R

K

S

L

G

G

active site: K116 (= K119), K159 (= K161), D196 (≠ G198), H209 (= H211), R235 (= R236), T274 (= T275), E276 (= E277), E288 (= E291), N290 (= N293), R292 (= R295), E296 (= E299), R338 (= R341)
binding 4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one: K159 (= K161), K202 (≠ R204), Y203 (≠ F205), L204 (≠ I206), L278 (= L279), I437 (≠ T446)

2w6nA Crystal structure of biotin carboxylase from e. Coli in complex with amino-oxazole fragment series (see paper)
48% identity, 98% coverage: 5:454/457 of query aligns to 2:445/445 of 2w6nA

query
sites
2w6nA

I

L

H

D

K

K

L

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

K

K

E

E

L

L

G

G

I

I

P

K

T

T

V

V

A

A

A

V

C

H

S

S

E

S

A

A

D

D

V

R

D

D

S

L

Q

K

A

H

A

V

R

L

M

L

A

A

D

D

E

E

V

T

H

V

I

C

L

I

G

G

P

P

A

A

R

P

A

S

D

V

K

K

S

S

Y

Y

L

L

N

N

V

I

E

P

A

A

L

I

G

S

A

A

L

A

K

E

A

I

T

T

G

G

A

A

N

V

A

A

V

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

A

Q

V

V

V

E

A

R

A

S

G

G

A

F

I

I

F

F

V

I

G

G

P

P

S

K

A

A

E

E

T

T

I

I

R

R

R

L

M

M

G

G

D

D

K
|
K

A

V

E

S

A

A

R

I

R

A

T

A

A

M

Q

K

A

K

A

A

G

G

V

V

P

P

V

C

V

V

P

P

G

G

S

S

P

D

G

G

E

P

L

L

-

G

F

D

D

D

V

M

E

D

S

K

A

N

L

R

Q

A

A

I

A

A

Q

K

S

R

V

I

G

G

F

Y

P

P

L

V

L
x
I

I

I

K
|
K

A

A

S

S

A

G

G

G

R

R

G

G

I
x
M

R

R

L

V

A

V

E

R

N

G

A

D

E

A

Q

E

L

L

S

A

E

Q

E

S

F

I

P

S

R

M

S

T

Q

R

R

A

E

E

A

A

Q

K

A

A

F

F

G

S

N

N

G
x
D

A

M

V

V

Y

Y

L

M

E
|
E

R
x
K

F
x
Y

I

L

S

E

R

N

A

P

R

R

H
|
H

I

V

E

E

V

I

Q

Q

V

V

L

L

G

A

D

D

G

G

Q

Q

-

G

H

N

A

A

V

I

H

Y

L

L

F

A

E

E

R

R

E

D

C

C

S

S

L

M

Q

Q

R

R

R
|
R

R

H

Q

Q

K

K

I

V

F

V

E

E

A

A

P

P

S

A

P

P

V

G

L

I

S

T

Q

P

Q

E

Q

L

R

R

K

R

T

Y

L

I

C

G

E

E

S

R

A

C

V

A

R

K

L

A

T

C

E

V

S

D

L

I

G

G

Y

Y

K

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

Y

F

L
|
L

Y

F

D

E

D

N

A

-

T

-

G

G

E

E

F

F

F

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

I

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

S

T

E

E

L

M

I

I

T

T

G

G

I

V

D

D

L

L

V

I

Q

K

S

E

M

Q

L

L

R

R

I

I

A

A

G

A

G

G

E

Q

P

P

L

L

G

S

F

I

K

K

Q

Q

S

E

D

E

I

V

R

H

L

V

N

R

G

G

A

H

A

A

L

V

Q

E

M

C

R
|
R

L

I

N

N

A

A

E

E

D

D

P

P

A

-

R

N

D

T

F

F

F

L

P

P

S

S

P

P

G

G

L

K

V

I

E

T

E

R

L

F

I

H

W

A

P

P

N

G

G

G

A

F

G

G

I

V

R

R

V

W

D

E

T

S

H

H

L

I

Y

Y

Q

A

G

G

Y

Y

R

T

V

V

P

P

Y

Y

D

D

S

S

L

M

L

I

A

G

K

K

L

L

I

I

I

C

H

Y

G

G

A

E

D

N

R

R

A

D

E

V

A

A

L

I

A

A

R

R

A

M

R

K

M

N

A

A

V

L

A

Q

H

E

T

L

T

I

L

I

T

D

G

G

M

I

A

K

N

T

T

N

L

V

A

D

L

L

H

Q

G

I

E

R

L

I

L

-

E

-

Q

-

P

-

W

-

L

M

H

N

S

D

A

E

D

N

F

F

H

Q

T

H

G

G

T

G

L

T

E

N

T

I

W

H

L

Y

A

L

E

E

R

K

S

L

G

G

active site: K116 (= K119), K159 (= K161), D196 (≠ G198), H209 (= H211), R235 (= R236), T274 (= T275), E276 (= E277), E288 (= E291), N290 (= N293), R292 (= R295), E296 (= E299), R338 (= R341)
binding 2-amino-n,n-bis(phenylmethyl)-1,3-oxazole-5-carboxamide: I157 (≠ L159), K159 (= K161), M169 (≠ I171), E201 (= E203), K202 (≠ R204), Y203 (≠ F205), L278 (= L279)

2v59A Crystal structure of biotin carboxylase from e.Coli in complex with potent inhibitor 2 (see paper)
48% identity, 98% coverage: 5:454/457 of query aligns to 2:445/445 of 2v59A

query
sites
2v59A

I

L

H

D

K

K

L

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

K

K

E

E

L

L

G

G

I

I

P

K

T

T

V

V

A

A

A

V

C

H

S

S

E

S

A

A

D

D

V

R

D

D

S

L

Q

K

A

H

A

V

R

L

M

L

A

A

D

D

E

E

V

T

H

V

I

C

L

I

G

G

P

P

A

A

R

P

A

S

D

V

K

K

S

S

Y

Y

L

L

N

N

V

I

E

P

A

A

L

I

G

S

A

A

L

A

K

E

A

I

T

T

G

G

A

A

N

V

A

A

V

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

A

Q

V

V

V

E

A

R

A

S

G

G

A

F

I

I

F

F

V

I

G

G

P

P

S

K

A

A

E

E

T

T

I

I

R

R

R

L

M

M

G

G

D

D

K
|
K

A

V

E

S

A

A

R

I

R

A

T

A

A

M

Q

K

A

K

A

A

G

G

V

V

P

P

V

C

V

V

P

P

G

G

S

S

P

D

G

G

E

P

L

L

-

G

F

D

D

D

V

M

E

D

S

K

A

N

L

R

Q

A

A

I

A

A

Q

K

S

R

V

I

G

G

F

Y

P

P

L

V

L

I

I

I

K
|
K

A

A

S

S

A

G

G

G

R

R

G

G

I

M

R

R

L

V

A

V

E

R

N

G

A

D

E

A

Q

E

L

L

S

A

E

Q

E

S

F

I

P

S

R

M

S

T

Q

R

R

A

E

E

A

A

Q

K

A

A

F

F

G

S

N

N

G
x
D

A

M

V

V

Y

Y

L

M

E

E

R

K

F
x
Y

I
x
L

S

E

R

N

A

P

R

R

H
|
H

I

V

E

E

V

I

Q

Q

V

V

L

L

G

A

D

D

G

G

Q

Q

-

G

H

N

A

A

V

I

H

Y

L

L

F

A

E

E

R

R

E

D

C

C

S

S

L

M

Q
|
Q

R

R

R
|
R

R
x
H

Q

Q

K

K

I

V

F

V

E

E

A

A

P

P

S

A

P

P

V

G

L

I

S

T

Q

P

Q

E

Q

L

R

R

K

R

T

Y

L

I

C

G

E

E

S

R

A

C

V

A

R

K

L

A

T

C

E

V

S

D

L

I

G

G

Y

Y

K

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

Y

F

L
|
L

Y

F

D

E

D

N

A

-

T

-

G

G

E

E

F

F

F

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

I

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

S

T

E

E

L

M

I

I

T

T

G

G

I

V

D

D

L

L

V

I

Q

K

S

E

M

Q

L

L

R

R

I

I

A

A

G

A

G

G

E

Q

P

P

L

L

G

S

F

I

K

K

Q

Q

S

E

D

E

I

V

R

H

L

V

N

R

G

G

A

H

A

A

L

V

Q

E

M

C

R
|
R

L

I

N

N

A

A

E

E

D

D

P

P

A

-

R

N

D

T

F

F

F

L

P

P

S

S

P

P

G

G

L

K

V

I

E

T

E

R

L

F

I

H

W

A

P

P

N

G

G

G

A

F

G

G

I

V

R

R

V

W

D

E

T

S

H

H

L

I

Y

Y

Q

A

G

G

Y

Y

R

T

V

V

P

P

Y

Y

D

D

S

S

L

M

L

I

A

G

K

K

L

L

I

I

I

C

H

Y

G

G

A

E

D

N

R

R

A

D

E

V

A

A

L

I

A

A

R

R

A

M

R

K

M

N

A

A

V

L

A

Q

H

E

T

L

T

I

L

I

T

D

G

G

M

I

A

K

N

T

T

N

L

V

A

D

L

L

H

Q

G

I

E

R

L

I

L

-

E

-

Q

-

P

-

W

-

L

M

H

N

S

D

A

E

D

N

F

F

H

Q

T

H

G

G

T

G

L

T

E

N

T
x
I

W

H

L

Y

A

L

E

E

R

K

S

L

G

G

active site: K116 (= K119), K159 (= K161), D196 (≠ G198), H209 (= H211), R235 (= R236), T274 (= T275), E276 (= E277), E288 (= E291), N290 (= N293), R292 (= R295), E296 (= E299), R338 (= R341)
binding 6-(2,6-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine: K159 (= K161), Y203 (≠ F205), L204 (≠ I206), H209 (= H211), Q233 (= Q234), H236 (≠ R237), L278 (= L279), I437 (≠ T446)

6oi9A Crystal structure of e. Coli biotin carboxylase complexed with 7-[3- (aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3- d]pyrimidin-2-amine (see paper)
48% identity, 98% coverage: 5:454/457 of query aligns to 2:445/446 of 6oi9A

query
sites
6oi9A

I

L

H

D

K

K

L

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

K

K

E

E

L

L

G

G

I

I

P

K

T

T

V

V

A

A

A

V

C

H

S

S

E

S

A

A

D

D

V

R

D

D

S

L

Q

K

A

H

A

V

R

L

M

L

A

A

D

D

E

E

V

T

H

V

I

C

L

I

G

G

P

P

A

A

R

P

A

S

D

V

K

K

S

S

Y

Y

L

L

N

N

V

I

E

P

A

A

L

I

G

S

A

A

L

A

K

E

A

I

T

T

G

G

A

A

N

V

A

A

V

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

A

Q

V

V

V

E

A

R

A

S

G

G

A

F

I

I

F

F

V

I

G

G

P

P

S

K

A

A

E

E

T

T

I

I

R

R

R

L

M

M

G

G

D

D

K

K

A

V

E

S

A

A

R

I

R

A

T

A

A

M

Q

K

A

K

A

A

G

G

V

V

P

P

V

C

V

V

P

P

G

G

S

S

P

D

G

G

E

P

L

L

-

G

F

D

D

D

V

M

E

D

S

K

A

N

L

R

Q

A

A

I

A

A

Q

K

S

R

V

I

G

G

F

Y

P

P

L

V

L

I

I

I

K
|
K

A

A

S

S

A

G

G

G

R

R

G

G

I
x
M

R

R

L

V

A

V

E

R

N

G

A

D

E

A

Q

E

L

L

S

A

E

Q

E

S

F

I

P

S

R

M

S

T

Q

R

R

A

E

E

A

A

Q

K

A

A

F

F

G

S

N

N

G

D

A

M

V

V

Y

Y

L

M

E
|
E

R

K

F
x
Y

I
x
L

S

E

R

N

A

P

R

R

H
|
H

I

V

E

E

V

I

Q

Q

V

V

L

L

G

A

D

D

G

G

Q

Q

-

G

H

N

A

A

V

I

H

Y

L

L

F

A

E

E

R

R

E

D

C

C

S

S

L

M

Q
|
Q

R

R

R
x
H

Q

Q

K

K

I

V

F

V

E

E

A

A

P

P

S

A

P

P

V

G

L

I

S

T

Q

P

Q

E

Q

L

R

R

K

R

T

Y

L

I

C

G

E

E

S

R

A

C

V

A

R

K

L

A

T

C

E

V

S

D

L

I

G

G

Y

Y

K

R

G

G

A

A

G

G

T

T

L

F

E
|
E

Y

F

L
|
L

Y

F

D

E

D

N

A

-

T

-

G

G

E

E

F

F

F

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R

R

I

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

S

T

E

E

L

M

I

I

T

T

G

G

I

V

D

D

L

L

V

I

Q

K

S

E

M

Q

L

L

R

R

I

I

A

A

G

A

G

G

E

Q

P

P

L

L

G

S

F

I

K

K

Q

Q

S

E

D

E

I

V

R

H

L

V

N

R

G

G

A

H

A

A

L

V

Q

E

M

C

R
|
R

L

I

N

N

A

A

E

E

D

D

P

P

A

-

R

N

D

T

F

F

F

L

P

P

S

S

P

P

G

G

L

K

V

I

E

T

E

R

L

F

I

H

W

A

P

P

N

G

G

G

A

F

G

G

I

V

R

R

V

W

D

E

T

S

H

H

L

I

Y

Y

Q

A

G

G

Y

Y

R

T

V

V

P

P

Y

Y

D

D

S

S

L

M

L

I

A

G

K

K

L

L

I

I

I

C

H

Y

G

G

A

E

D

N

R

R

A

D

E

V

A

A

L

I

A

A

R

R

A

M

R

K

M

N

A

A

V

L

A

Q

H

E

T

L

T

I

L

I

T

D

G

G

M

I

A

K

N

T

T

N

L

V

A

D

L

L

H

Q

G

I

E

R

L

I

L

-

E

-

Q

-

P

-

W

-

L

M

H

N

S

D

A

E

D

N

F

F

H

Q

T

H

G

G

T

G

L

T

E

N

T
x
I

W

H

L

Y

A

L

E

E

R

K

S

L

G

G

active site: E276 (= E277), E288 (= E291), N290 (= N293), E296 (= E299), R338 (= R341)
binding 7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine: K159 (= K161), M169 (≠ I171), E201 (= E203), Y203 (≠ F205), L204 (≠ I206), H209 (= H211), Q233 (= Q234), H236 (≠ R237), E276 (= E277), L278 (= L279), E288 (= E291), I437 (≠ T446)

3jzfB Crystal structure of biotin carboxylase from e. Coli in complex with benzimidazoles series (see paper)
48% identity, 98% coverage: 5:454/457 of query aligns to 4:447/447 of 3jzfB

query
sites
3jzfB

I

L

H

D

K

K

L

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

K

K

E

E

L

L

G

G

I

I

P

K

T

T

V

V

A

A

A

V

C

H

S

S

E

S

A

A

D

D

V

R

D

D

S

L

Q

K

A

H

A

V

R

L

M

L

A

A

D

D

E

E

V

T

H

V

I

C

L

I

G

G

P

P

A

A

R

P

A

S

D

V

K

K

S

S

Y

Y

L

L

N

N

V

I

E

P

A

A

L

I

G

S

A

A

L

A

K

E

A

I

T

T

G

G

A

A

N

V

A

A

V

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

A

Q

V

V

V

E

A

R

A

S

G

G

A

F

I

I

F

F

V

I

G

G

P

P

S

K

A

A

E

E

T

T

I

I

R

R

R

L

M

M

G

G

D

D

K
|
K

A

V

E

S

A

A

R

I

R

A

T

A

A

M

Q

K

A

K

A

A

G

G

V

V

P

P

V

C

V

V

P

P

G

G

S

S

P

D

G

G

E

P

L

L

-

G

F

D

D

D

V

M

E

D

S

K

A

N

L

R

Q

A

A

I

A

A

Q

K

S

R

V

I

G

G

F

Y

P

P

L

V

L

I

I

I

K
|
K

A
|
A

S

S

A

G

G

G

G
|
G

G

G

G
|
G

R
|
R

G
|
G

I
x
M

R

R

L

V

A

V

E

R

N

G

A

D

E

A

Q

E

L

L

S

A

E

Q

E

S

F

I

P

S

R

M

S

T

Q

R

R

A

E

E

A

A

Q

K

A

A

F

F

G

S

N

N

G
x
D

A

M

V

V

Y
|
Y

L

M

E
|
E

R
x
K

F
x
Y

I

L

S

E

R

N

A

P

R

R

H
|
H

I

V

E

E

V

I

Q

Q

V

V

L

L

G

A

D

D

G

G

Q

Q

-

G

H

N

A

A

V

I

H

Y

L

L

F

A

E

E

R

R

E

D

C

C

S

S

L

M

Q

Q

R

R

R
|
R

R
x
H

Q

Q

K

K

I

V

F

V

E

E

A

A

P

P

S

A

P

P

V

G

L

I

S

T

Q

P

Q

E

Q

L

R

R

K

R

T

Y

L

I

C

G

E

E

S

R

A

C

V

A

R

K

L

A

T

C

E

V

S

D

L

I

G

G

Y

Y

K

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

Y

F

L
|
L

Y

F

D

E

D

N

A

-

T

-

G

G

E

E

F

F

F

Y

F

F

I
|
I

E
|
E

M

M

N
|
N

T

T

R
|
R

I

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

S

T

E

E

L

M

I

I

T

T

G

G

I

V

D

D

L

L

V

I

Q

K

S

E

M

Q

L

L

R

R

I

I

A

A

G

A

G

G

E

Q

P

P

L

L

G

S

F

I

K

K

Q

Q

S

E

D

E

I

V

R

H

L

V

N

R

G

G

A

H

A

A

L

V

Q

E

M

C

R
|
R

L

I

N

N

A

A

E

E

D

D

P

P

A

-

R

N

D

T

F

F

F

L

P

P

S

S

P

P

G

G

L

K

V

I

E

T

E

R

L

F

I

H

W

A

P

P

N

G

G

G

A

F

G

G

I

V

R

R

V

W

D

E

T

S

H

H

L

I

Y

Y

Q

A

G

G

Y

Y

R

T

V

V

P

P

Y

Y

D

D

S

S

L

M

L

I

A

G

K

K

L

L

I

I

I

C

H

Y

G

G

A

E

D

N

R

R

A

D

E

V

A

A

L

I

A

A

R

R

A

M

R

K

M

N

A

A

V

L

A

Q

H

E

T

L

T

I

L

I

T

D

G

G

M

I

A

K

N

T

T

N

L

V

A

D

L

L

H

Q

G

I

E

R

L

I

L

-

E

-

Q

-

P

-

W

-

L

M

H

N

S

D

A

E

D

N

F

F

H

Q

T

H

G

G

T

G

L

T

E

N

T

I

W

H

L

Y

A

L

E

E

R

K

S

L

G

G

active site: K118 (= K119), K161 (= K161), D198 (≠ G198), H211 (= H211), R237 (= R236), T276 (= T275), E278 (= E277), E290 (= E291), N292 (= N293), R294 (= R295), E298 (= E299), R340 (= R341)
binding 2-[(2-chlorobenzyl)amino]-1-(cyclohexylmethyl)-1H-benzimidazole-5-carboxamide: K118 (= K119), K161 (= K161), A162 (= A162), G166 (= G166), G168 (= G168), R169 (= R169), G170 (= G170), M171 (≠ I171), Y201 (= Y201), E203 (= E203), K204 (≠ R204), Y205 (≠ F205), H211 (= H211), H238 (≠ R237), L280 (= L279), I289 (= I290), E290 (= E291)

2w71A Crystal structure of biotin carboxylase from e. Coli in complex with the imidazole-pyrimidine inhibitor (see paper)
48% identity, 98% coverage: 5:454/457 of query aligns to 2:445/446 of 2w71A

query
sites
2w71A

I

L

H

D

K

K

L

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

K

K

E

E

L

L

G

G

I

I

P

K

T

T

V

V

A

A

A

V

C

H

S

S

E

S

A

A

D

D

V

R

D

D

S

L

Q

K

A

H

A

V

R

L

M

L

A

A

D

D

E

E

V

T

H

V

I

C

L

I

G

G

P

P

A

A

R

P

A

S

D

V

K

K

S

S

Y

Y

L

L

N

N

V

I

E

P

A

A

L

I

G

S

A

A

L

A

K

E

A

I

T

T

G

G

A

A

N

V

A

A

V

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

A

Q

V

V

V

E

A

R

A

S

G

G

A

F

I

I

F

F

V

I

G

G

P

P

S

K

A

A

E

E

T

T

I

I

R

R

R

L

M

M

G

G

D

D

K
|
K

A

V

E

S

A

A

R

I

R

A

T

A

A

M

Q

K

A

K

A

A

G

G

V

V

P

P

V

C

V

V

P

P

G

G

S

S

P

D

G

G

E

P

L

L

-

G

F

D

D

D

V

M

E

D

S

K

A

N

L

R

Q

A

A

I

A

A

Q

K

S

R

V

I

G

G

F

Y

P

P

L

V

L

I

I

I

K
|
K

A

A

S

S

A

G

G

G

R

R

G

G

I

M

R

R

L

V

A

V

E

R

N

G

A

D

E

A

Q

E

L

L

S

A

E

Q

E

S

F

I

P

S

R

M

S

T

Q

R

R

A

E

E

A

A

Q

K

A

A

F

F

G

S

N

N

G
x
D

A

M

V

V

Y

Y

L

M

E

E

R

K

F
x
Y

I
x
L

S

E

R

N

A

P

R

R

H
|
H

I

V

E

E

V

I

Q

Q

V

V

L

L

G

A

D

D

G

G

Q

Q

-

G

H

N

A

A

V

I

H

Y

L

L

F

A

E

E

R

R

E

D

C

C

S

S

L

M

Q
|
Q

R

R

R
|
R

R
x
H

Q

Q

K

K

I

V

F

V

E

E

A

A

P

P

S

A

P

P

V

G

L

I

S

T

Q

P

Q

E

Q

L

R

R

K

R

T

Y

L

I

C

G

E

E

S

R

A

C

V

A

R

K

L

A

T

C

E

V

S

D

L

I

G

G

Y

Y

K

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

Y

F

L
|
L

Y

F

D

E

D

N

A

-

T

-

G

G

E

E

F

F

F

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

I

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

S

T

E

E

L

M

I

I

T

T

G

G

I

V

D

D

L

L

V

I

Q

K

S

E

M

Q

L

L

R

R

I

I

A

A

G

A

G

G

E

Q

P

P

L

L

G

S

F

I

K

K

Q

Q

S

E

D

E

I

V

R

H

L

V

N

R

G

G

A

H

A

A

L

V

Q

E

M

C

R
|
R

L

I

N

N

A

A

E

E

D

D

P

P

A

-

R

N

D

T

F

F

F

L

P

P

S

S

P

P

G

G

L

K

V

I

E

T

E

R

L

F

I

H

W

A

P

P

N

G

G

G

A

F

G

G

I

V

R

R

V

W

D

E

T

S

H

H

L

I

Y

Y

Q

A

G

G

Y

Y

R

T

V

V

P

P

Y

Y

D

D

S

S

L

M

L

I

A

G

K

K

L

L

I

I

I

C

H

Y

G

G

A

E

D

N

R

R

A

D

E

V

A

A

L

I

A

A

R

R

A

M

R

K

M

N

A

A

V

L

A

Q

H

E

T

L

T

I

L

I

T

D

G

G

M

I

A

K

N

T

T

N

L

V

A

D

L

L

H

Q

G

I

E

R

L

I

L

-

E

-

Q

-

P

-

W

-

L

M

H

N

S

D

A

E

D

N

F

F

H

Q

T

H

G

G

T

G

L

T

E

N

T
x
I

W

H

L

Y

A

L

E

E

R

K

S

L

G

G

active site: K116 (= K119), K159 (= K161), D196 (≠ G198), H209 (= H211), R235 (= R236), T274 (= T275), E276 (= E277), E288 (= E291), N290 (= N293), R292 (= R295), E296 (= E299), R338 (= R341)
binding 4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine: K159 (= K161), Y203 (≠ F205), L204 (≠ I206), H209 (= H211), Q233 (= Q234), H236 (≠ R237), L278 (= L279), I437 (≠ T446)

2w70A Crystal structure of biotin carboxylase from e. Coli in complex with the amino-thiazole-pyrimidine fragment (see paper)
48% identity, 98% coverage: 5:454/457 of query aligns to 2:445/446 of 2w70A

query
sites
2w70A

I

L

H

D

K

K

L

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

K

K

E

E

L

L

G

G

I

I

P

K

T

T

V

V

A

A

A

V

C

H

S

S

E

S

A

A

D

D

V

R

D

D

S

L

Q

K

A

H

A

V

R

L

M

L

A

A

D

D

E

E

V

T

H

V

I

C

L

I

G

G

P

P

A

A

R

P

A

S

D

V

K

K

S

S

Y

Y

L

L

N

N

V

I

E

P

A

A

L

I

G

S

A

A

L

A

K

E

A

I

T

T

G

G

A

A

N

V

A

A

V

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

A

Q

V

V

V

E

A

R

A

S

G

G

A

F

I

I

F

F

V

I

G

G

P

P

S

K

A

A

E

E

T

T

I

I

R

R

R

L

M

M

G

G

D

D

K
|
K

A

V

E

S

A

A

R

I

R

A

T

A

A

M

Q

K

A

K

A

A

G

G

V

V

P

P

V

C

V

V

P

P

G

G

S

S

P

D

G

G

E

P

L

L

-

G

F

D

D

D

V

M

E

D

S

K

A

N

L

R

Q

A

A

I

A

A

Q

K

S

R

V

I

G

G

F

Y

P

P

L

V

L
x
I

I

I

K
|
K

A

A

S

S

A

G

G

G

G
|
G

R

R

G

G

I
x
M

R

R

L

V

A

V

E

R

N

G

A

D

E

A

Q

E

L

L

S

A

E

Q

E

S

F

I

P

S

R

M

S

T

Q

R

R

A

E

E

A

A

Q

K

A

A

F

F

G

S

N

N

G
x
D

A

M

V

V

Y

Y

L

M

E
|
E

R

K

F
x
Y

I
x
L

S

E

R

N

A

P

R

R

H
|
H

I

V

E

E

V

I

Q

Q

V

V

L

L

G

A

D

D

G

G

Q

Q

-

G

H

N

A

A

V

I

H

Y

L

L

F

A

E

E

R

R

E

D

C

C

S

S

L

M

Q

Q

R

R

R
|
R

R

H

Q

Q

K

K

I

V

F

V

E

E

A

A

P

P

S

A

P

P

V

G

L

I

S

T

Q

P

Q

E

Q

L

R

R

K

R

T

Y

L

I

C

G

E

E

S

R

A

C

V

A

R

K

L

A

T

C

E

V

S

D

L

I

G

G

Y

Y

K

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

Y

F

L
|
L

Y

F

D

E

D

N

A

-

T

-

G

G

E

E

F

F

F

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

I

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

S

T

E

E

L

M

I

I

T

T

G

G

I

V

D

D

L

L

V

I

Q

K

S

E

M

Q

L

L

R

R

I

I

A

A

G

A

G

G

E

Q

P

P

L

L

G

S

F

I

K

K

Q

Q

S

E

D

E

I

V

R

H

L

V

N

R

G

G

A

H

A

A

L

V

Q

E

M

C

R
|
R

L

I

N

N

A

A

E

E

D

D

P

P

A

-

R

N

D

T

F

F

F

L

P

P

S

S

P

P

G

G

L

K

V

I

E

T

E

R

L

F

I

H

W

A

P

P

N

G

G

G

A

F

G

G

I

V

R

R

V

W

D

E

T

S

H

H

L

I

Y

Y

Q

A

G

G

Y

Y

R

T

V

V

P

P

Y

Y

D

D

S

S

L

M

L

I

A

G

K

K

L

L

I

I

I

C

H

Y

G

G

A

E

D

N

R

R

A

D

E

V

A

A

L

I

A

A

R

R

A

M

R

K

M

N

A

A

V

L

A

Q

H

E

T

L

T

I

L

I

T

D

G

G

M

I

A

K

N

T

T

N

L

V

A

D

L

L

H

Q

G

I

E

R

L

I

L

-

E

-

Q

-

P

-

W

-

L

M

H

N

S

D

A

E

D

N

F

F

H

Q

T

H

G

G

T

G

L

T

E

N

T

I

W

H

L

Y

A

L

E

E

R

K

S

L

G

G

active site: K116 (= K119), K159 (= K161), D196 (≠ G198), H209 (= H211), R235 (= R236), T274 (= T275), E276 (= E277), E288 (= E291), N290 (= N293), R292 (= R295), E296 (= E299), R338 (= R341)
binding 4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine: I157 (≠ L159), K159 (= K161), G166 (= G168), M169 (≠ I171), E201 (= E203), Y203 (≠ F205), L204 (≠ I206), L278 (= L279)

2w6zA Crystal structure of biotin carboxylase from e. Coli in complex with the 3-(3-methyl-but-2-enyl)-3h-purin-6-ylamine fragment (see paper)
48% identity, 98% coverage: 5:454/457 of query aligns to 2:445/446 of 2w6zA

query
sites
2w6zA

I

L

H

D

K

K

L

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

K

K

E

E

L

L

G

G

I

I

P

K

T

T

V

V

A

A

A

V

C

H

S

S

E

S

A

A

D

D

V

R

D

D

S

L

Q

K

A

H

A

V

R

L

M

L

A

A

D

D

E

E

V

T

H

V

I

C

L

I

G

G

P

P

A

A

R

P

A

S

D

V

K

K

S

S

Y

Y

L

L

N

N

V

I

E

P

A

A

L

I

G

S

A

A

L

A

K

E

A

I

T

T

G

G

A

A

N

V

A

A

V

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

A

Q

V

V

V

E

A

R

A

S

G

G

A

F

I

I

F

F

V

I

G

G

P

P

S

K

A

A

E

E

T

T

I

I

R

R

R

L

M

M

G

G

D

D

K
|
K

A

V

E

S

A

A

R

I

R

A

T

A

A

M

Q

K

A

K

A

A

G

G

V

V

P

P

V

C

V

V

P

P

G

G

S

S

P

D

G

G

E

P

L

L

-

G

F

D

D

D

V

M

E

D

S

K

A

N

L

R

Q

A

A

I

A

A

Q

K

S

R

V

I

G

G

F

Y

P

P

L

V

L

I

I

I

K
|
K

A

A

S

S

A

G

G

G

R

R

G

G

I

M

R

R

L

V

A

V

E

R

N

G

A

D

E

A

Q

E

L

L

S

A

E

Q

E

S

F

I

P

S

R

M

S

T

Q

R

R

A

E

E

A

A

Q

K

A

A

F

F

G

S

N

N

G
x
D

A

M

V

V

Y

Y

L

M

E

E

R

K

F
x
Y

I
x
L

S

E

R

N

A

P

R

R

H
|
H

I

V

E

E

V

I

Q

Q

V

V

L

L

G

A

D

D

G

G

Q

Q

-

G

H

N

A

A

V

I

H

Y

L

L

F

A

E

E

R

R

E

D

C

C

S

S

L

M

Q

Q

R

R

R
|
R

R

H

Q

Q

K

K

I

V

F

V

E

E

A

A

P

P

S

A

P

P

V

G

L

I

S

T

Q

P

Q

E

Q

L

R

R

K

R

T

Y

L

I

C

G

E

E

S

R

A

C

V

A

R

K

L

A

T

C

E

V

S

D

L

I

G

G

Y

Y

K

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

Y

F

L
|
L

Y

F

D

E

D

N

A

-

T

-

G

G

E

E

F

F

F

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

I

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

S

T

E

E

L

M

I

I

T

T

G

G

I

V

D

D

L

L

V

I

Q

K

S

E

M

Q

L

L

R

R

I

I

A

A

G

A

G

G

E

Q

P

P

L

L

G

S

F

I

K

K

Q

Q

S

E

D

E

I

V

R

H

L

V

N

R

G

G

A

H

A

A

L

V

Q

E

M

C

R
|
R

L

I

N

N

A

A

E

E

D

D

P

P

A

-

R

N

D

T

F

F

F

L

P

P

S

S

P

P

G

G

L

K

V

I

E

T

E

R

L

F

I

H

W

A

P

P

N

G

G

G

A

F

G

G

I

V

R

R

V

W

D

E

T

S

H

H

L

I

Y

Y

Q

A

G

G

Y

Y

R

T

V

V

P

P

Y

Y

D

D

S

S

L

M

L

I

A

G

K

K

L

L

I

I

I

C

H

Y

G

G

A

E

D

N

R

R

A

D

E

V

A

A

L

I

A

A

R

R

A

M

R

K

M

N

A

A

V

L

A

Q

H

E

T

L

T

I

L

I

T

D

G

G

M

I

A

K

N

T

T

N

L

V

A

D

L

L

H

Q

G

I

E

R

L

I

L

-

E

-

Q

-

P

-

W

-

L

M

H

N

S

D

A

E

D

N

F

F

H

Q

T

H

G

G

T

G

L

T

E

N

T

I

W

H

L

Y

A

L

E

E

R

K

S

L

G

G

active site: K116 (= K119), K159 (= K161), D196 (≠ G198), H209 (= H211), R235 (= R236), T274 (= T275), E276 (= E277), E288 (= E291), N290 (= N293), R292 (= R295), E296 (= E299), R338 (= R341)
binding 3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine: K159 (= K161), Y203 (≠ F205), L204 (≠ I206), L278 (= L279)

2w6qA Crystal structure of biotin carboxylase from e. Coli in complex with the triazine-2,4-diamine fragment (see paper)
48% identity, 98% coverage: 5:454/457 of query aligns to 2:445/446 of 2w6qA

query
sites
2w6qA

I

L

H

D

K

K

L

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

K

K

E

E

L

L

G

G

I

I

P

K

T

T

V

V

A

A

A

V

C

H

S

S

E

S

A

A

D

D

V

R

D

D

S

L

Q

K

A

H

A

V

R

L

M

L

A

A

D

D

E

E

V

T

H

V

I

C

L

I

G

G

P

P

A

A

R

P

A

S

D

V

K

K

S

S

Y

Y

L

L

N

N

V

I

E

P

A

A

L

I

G

S

A

A

L

A

K

E

A

I

T

T

G

G

A

A

N

V

A

A

V

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

A

Q

V

V

V

E

A

R

A

S

G

G

A

F

I

I

F

F

V

I

G

G

P

P

S

K

A

A

E

E

T

T

I

I

R

R

R

L

M

M

G

G

D

D

K
|
K

A

V

E

S

A

A

R

I

R

A

T

A

A

M

Q

K

A

K

A

A

G

G

V

V

P

P

V

C

V

V

P

P

G

G

S

S

P

D

G

G

E

P

L

L

-

G

F

D

D

D

V

M

E

D

S

K

A

N

L

R

Q

A

A

I

A

A

Q

K

S

R

V

I

G

G

F

Y

P

P

L

V

L
x
I

I

I

K
|
K

A

A

S

S

A

G

G

G

R

R

G

G

I

M

R

R

L

V

A

V

E

R

N

G

A

D

E

A

Q

E

L

L

S

A

E

Q

E

S

F

I

P

S

R

M

S

T

Q

R

R

A

E

E

A

A

Q

K

A

A

F

F

G

S

N

N

G
x
D

A

M

V

V

Y

Y

L

M

E
|
E

R
x
K

F
x
Y

I
x
L

S

E

R

N

A

P

R

R

H
|
H

I

V

E

E

V

I

Q

Q

V

V

L

L

G

A

D

D

G

G

Q

Q

-

G

H

N

A

A

V

I

H

Y

L

L

F

A

E

E

R

R

E

D

C

C

S

S

L

M

Q

Q

R

R

R
|
R

R
x
H

Q

Q

K

K

I

V

F

V

E

E

A

A

P

P

S

A

P

P

V

G

L

I

S

T

Q

P

Q

E

Q

L

R

R

K

R

T

Y

L

I

C

G

E

E

S

R

A

C

V

A

R

K

L

A

T

C

E

V

S

D

L

I

G

G

Y

Y

K

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

Y

F

L
|
L

Y

F

D

E

D

N

A

-

T

-

G

G

E

E

F

F

F

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

I

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

S

T

E

E

L

M

I

I

T

T

G

G

I

V

D

D

L

L

V

I

Q

K

S

E

M

Q

L

L

R

R

I

I

A

A

G

A

G

G

E

Q

P

P

L

L

G

S

F

I

K

K

Q

Q

S

E

D

E

I

V

R

H

L

V

N

R

G

G

A

H

A

A

L

V

Q

E

M

C

R
|
R

L

I

N

N

A

A

E

E

D

D

P

P

A

-

R

N

D

T

F

F

F

L

P

P

S

S

P

P

G

G

L

K

V

I

E

T

E

R

L

F

I

H

W

A

P

P

N

G

G

G

A

F

G

G

I

V

R

R

V

W

D

E

T

S

H

H

L

I

Y

Y

Q

A

G

G

Y

Y

R

T

V

V

P

P

Y

Y

D

D

S

S

L

M

L

I

A

G

K

K

L

L

I

I

I

C

H

Y

G

G

A

E

D

N

R

R

A

D

E

V

A

A

L

I

A

A

R

R

A

M

R

K

M

N

A

A

V

L

A

Q

H

E

T

L

T

I

L

I

T

D

G

G

M

I

A

K

N

T

T

N

L

V

A

D

L

L

H

Q

G

I

E

R

L

I

L

-

E

-

Q

-

P

-

W

-

L

M

H

N

S

D

A

E

D

N

F

F

H

Q

T

H

G

G

T

G

L

T

E

N

T

I

W

H

L

Y

A

L

E

E

R

K

S

L

G

G

active site: K116 (= K119), K159 (= K161), D196 (≠ G198), H209 (= H211), R235 (= R236), T274 (= T275), E276 (= E277), E288 (= E291), N290 (= N293), R292 (= R295), E296 (= E299), R338 (= R341)
binding 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine: I157 (≠ L159), K159 (= K161), E201 (= E203), K202 (≠ R204), Y203 (≠ F205), L204 (≠ I206), H236 (≠ R237), L278 (= L279)

2w6pA Crystal structure of biotin carboxylase from e. Coli in complex with 5-methyl-6-phenyl-quinazoline-2,4-diamine (see paper)
48% identity, 98% coverage: 5:454/457 of query aligns to 2:445/446 of 2w6pA

query
sites
2w6pA

I

L

H

D

K

K

L

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

K

K

E

E

L

L

G

G

I

I

P

K

T

T

V

V

A

A

A

V

C

H

S

S

E

S

A

A

D

D

V

R

D

D

S

L

Q

K

A

H

A

V

R

L

M

L

A

A

D

D

E

E

V

T

H

V

I

C

L

I

G

G

P

P

A

A

R

P

A

S

D

V

K

K

S

S

Y

Y

L

L

N

N

V

I

E

P

A

A

L

I

G

S

A

A

L

A

K

E

A

I

T

T

G

G

A

A

N

V

A

A

V

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

A

Q

V

V

V

E

A

R

A

S

G

G

A

F

I

I

F

F

V

I

G

G

P

P

S

K

A

A

E

E

T

T

I

I

R

R

R

L

M

M

G

G

D

D

K
|
K

A

V

E

S

A

A

R

I

R

A

T

A

A

M

Q

K

A

K

A

A

G

G

V

V

P

P

V

C

V

V

P

P

G

G

S

S

P

D

G

G

E

P

L

L

-

G

F

D

D

D

V

M

E

D

S

K

A

N

L

R

Q

A

A

I

A

A

Q

K

S

R

V

I

G

G

F

Y

P

P

L

V

L

I

I

I

K
|
K

A

A

S

S

A

G

G

G

R

R

G

G

I

M

R

R

L

V

A

V

E

R

N

G

A

D

E

A

Q

E

L

L

S

A

E

Q

E

S

F

I

P

S

R

M

S

T

Q

R

R

A

E

E

A

A

Q

K

A

A

F

F

G

S

N

N

G
x
D

A

M

V

V

Y

Y

L

M

E

E

R

K

F
x
Y

I
x
L

S

E

R

N

A

P

R

R

H
|
H

I

V

E

E

V

I

Q

Q

V

V

L

L

G

A

D

D

G

G

Q

Q

-

G

H

N

A

A

V

I

H

Y

L

L

F

A

E

E

R

R

E

D

C

C

S

S

L

M

Q
|
Q

R

R

R
|
R

R
x
H

Q

Q

K

K

I

V

F

V

E

E

A

A

P

P

S

A

P

P

V

G

L

I

S

T

Q

P

Q

E

Q

L

R

R

K

R

T

Y

L

I

C

G

E

E

S

R

A

C

V

A

R

K

L

A

T

C

E

V

S

D

L

I

G

G

Y

Y

K

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

Y

F

L
|
L

Y

F

D

E

D

N

A

-

T

-

G

G

E

E

F

F

F

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

I

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

S

T

E

E

L

M

I

I

T

T

G

G

I

V

D

D

L

L

V

I

Q

K

S

E

M

Q

L

L

R

R

I

I

A

A

G

A

G

G

E

Q

P

P

L

L

G

S

F

I

K

K

Q

Q

S

E

D

E

I

V

R

H

L

V

N

R

G

G

A

H

A

A

L

V

Q

E

M

C

R
|
R

L

I

N

N

A

A

E

E

D

D

P

P

A

-

R

N

D

T

F

F

F

L

P

P

S

S

P

P

G

G

L

K

V

I

E

T

E

R

L

F

I

H

W

A

P

P

N

G

G

G

A

F

G

G

I

V

R

R

V

W

D

E

T

S

H

H

L

I

Y

Y

Q

A

G

G

Y

Y

R

T

V

V

P

P

Y

Y

D

D

S

S

L

M

L

I

A

G

K

K

L

L

I

I

I

C

H

Y

G

G

A

E

D

N

R

R

A

D

E

V

A

A

L

I

A

A

R

R

A

M

R

K

M

N

A

A

V

L

A

Q

H

E

T

L

T

I

L

I

T

D

G

G

M

I

A

K

N

T

T

N

L

V

A

D

L

L

H

Q

G

I

E

R

L

I

L

-

E

-

Q

-

P

-

W

-

L

M

H

N

S

D

A

E

D

N

F

F

H

Q

T

H

G

G

T

G

L

T

E

N

T
x
I

W

H

L

Y

A

L

E

E

R

K

S

L

G

G

active site: K116 (= K119), K159 (= K161), D196 (≠ G198), H209 (= H211), R235 (= R236), T274 (= T275), E276 (= E277), E288 (= E291), N290 (= N293), R292 (= R295), E296 (= E299), R338 (= R341)
binding 5-methyl-6-phenylquinazoline-2,4-diamine: K159 (= K161), Y203 (≠ F205), L204 (≠ I206), Q233 (= Q234), H236 (≠ R237), L278 (= L279), I437 (≠ T446)

2w6mA Crystal structure of biotin carboxylase from e. Coli in complex with amino-oxazole fragment series (see paper)
48% identity, 98% coverage: 5:454/457 of query aligns to 2:445/446 of 2w6mA

query
sites
2w6mA

I

L

H

D

K

K

L

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

K

K

E

E

L

L

G

G

I

I

P

K

T

T

V

V

A

A

A

V

C

H

S

S

E

S

A

A

D

D

V

R

D

D

S

L

Q

K

A

H

A

V

R

L

M

L

A

A

D

D

E

E

V

T

H

V

I

C

L

I

G

G

P

P

A

A

R

P

A

S

D

V

K

K

S

S

Y

Y

L

L

N

N

V

I

E

P

A

A

L

I

G

S

A

A

L

A

K

E

A

I

T

T

G

G

A

A

N

V

A

A

V

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

A

Q

V

V

V

E

A

R

A

S

G

G

A

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I

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F

V

I

G

G

P

P

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K

A

A

E

E

T

T

I

I

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R

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L

M

M

G

G

D

D

K
|
K

A

V

E

S

A

A

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I

R

A

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A

A

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Q

K

A

K

A

A

G

G

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C

V

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D

G

G

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-

G

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D

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A

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A

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I

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|
K

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G

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R

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x
M

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x
D

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|
E

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|
H

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A

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A

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A

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H

E

T

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T

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T

D

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G

M

I

A

K

N

T

T

N

L

V

A

D

L

L

H

Q

G

I

E

R

L

I

L

-

E

-

Q

-

P

-

W

-

L

M

H

N

S

D

A

E

D

N

F

F

H

Q

T

H

G

G

T

G

L

T

E

N

T
x
I

W

H

L

Y

A

L

E

E

R

K

S

L

G

G

active site: K116 (= K119), K159 (= K161), D196 (≠ G198), H209 (= H211), R235 (= R236), T274 (= T275), E276 (= E277), E288 (= E291), N290 (= N293), R292 (= R295), E296 (= E299), R338 (= R341)
binding (2-amino-1,3-oxazol-5-yl)-(3-bromophenyl)methanone: I157 (≠ L159), K159 (= K161), M169 (≠ I171), E201 (= E203), K202 (≠ R204), Y203 (≠ F205), H236 (≠ R237), L278 (= L279), I437 (≠ T446)

Query Sequence

>AO356_07595 AO356_07595 acetyl-CoA carboxylase biotin carboxylase subunit
MTQAIHKLLVANRGEIAVRIIRAAKELGIPTVAACSEADVDSQAARMADEVHILGPARAD
KSYLNVEALLGALKATGANAVHPGYGFLSENADFAEAVVAAGAIFVGPSAETIRRMGDKA
EARRTAQAAGVPVVPGSPGELFDVESALQAAQSVGFPLLIKASAGGGGRGIRLAENAEQL
SEEFPRSQREAQAAFGNGAVYLERFISRARHIEVQVLGDGQHAVHLFERECSLQRRRQKI
FEEAPSPVLSQQQRKTLCESAVRLTESLGYKGAGTLEYLYDDATGEFFFIEMNTRIQVEH
PVSELITGIDLVQSMLRIAGGEPLGFKQSDIRLNGAALQMRLNAEDPARDFFPSPGLVEE
LIWPNGAGIRVDTHLYQGYRVPPYYDSLLAKLIIHGADRAEALARARMAVAHTTLTGMAN
TLALHGELLEQPWLHSADFHTGTLETWLAERRSGGEA

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