SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_043746657.1 AMB_RS13620 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)

4mv4A Crystal structure of biotin carboxylase from haemophilus influenzae in complex with amppcp and mg2 (see paper)
61% identity, 99% coverage: 1:441/447 of query aligns to 1:439/442 of 4mv4A

query
sites
4mv4A

M

M

F

L

E

E

K

K

V

V

L

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

H

L

R

R

A

A

C

C

R

K

E

E

M

L

G

G

I

I

R

K

T

T

V

V

A

A

V

V

H

H

S

S

T

T

A

A

D

D

N

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

A

T

V

I

C

C

I

I

G

G

P

P

P

A

S

P

A

S

R

A

D

K

S

S

Y

Y

L

L

N

N

K

I

A

P

A

A

I

I

L

I

S

A

A

A

S

E

I

V

T

T

G

G

A

A

D

D

A

A

I

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

Q

E

M

Q

V

V

E

E

E

R

H

S

G

G

F

F

V

T

F

F

I

I

G

G

P

P

T

T

P

A

D

D

H

V

I

I

R

R

M

L

M

M

G

G

D

D

K
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K

I

V

T

S

A

A

K

I

Q

K

A

A

V

M

K

K

D

K

A

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

S

P

V

V

D

S

T

N

E

D

-

I

E

A

T

K

A

N

L

K

E

E

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I

A

A

A

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I

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Y

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I

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A

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A

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G

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G
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G

G

G

G

-

K

-

G

-

M
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R

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V

A

V

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R

N

S

A

E

E

D

E

A

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A

L

M

A

T

R

K

N

A

E

E

A

A

K

K

A

A

F

F

G

N

N

N

A
x
D

D

M

V

V

Y

Y

M

M

E
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E

K

K

Y
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Y

L
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L

G

E

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N

P

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H
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H

I

V

E

E

M

I

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Q

I

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L

A

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D

D

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N

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Y

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G

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x
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E

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A

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Y

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A

A

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T
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T

I

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L

Y

Y

E

E

N

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
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E

M

M

N
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N

T

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R
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R

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V

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E
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E

H

H

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P

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T

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E

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G

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D

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L

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R

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N

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H

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Y

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M

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K

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L

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I

V

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F

Y

G

G

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D

T

T

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R

N

E

E

V

A

A

L

I

M

R

R

R

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M

K

Q

R

N

A

A

L

L

G

S

E

E

Y

T

V

I

I

I

E

D

G

G

V

I

K

K

T

T

T

N

L

I

P

P

L

L

H

H

N

E

R

L

L

I

V

L

Q

E

D

D

A

E

D

N

F

F

V

Q

N

K

G

G

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D

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H

W

Y

L

L

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E

K

K

active site: K116 (= K116), K159 (= K158), D193 (≠ A195), H206 (= H208), R232 (≠ K234), T271 (= T273), E273 (= E275), E285 (= E287), N287 (= N289), R289 (= R291), E293 (= E295), R335 (= R337)
binding phosphomethylphosphonic acid adenylate ester: K159 (= K158), G164 (= G163), M166 (= M168), E198 (= E200), Y200 (= Y202), L201 (= L203), H233 (= H235), L275 (= L277), E285 (= E287)
binding magnesium ion: E273 (= E275), E285 (= E287)

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)
61% identity, 99% coverage: 1:441/447 of query aligns to 1:437/440 of 6oi8A

query
sites
6oi8A

M

M

F

L

E

E

K

K

V

V

L

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

H

L

R

R

A

A

C

C

R

K

E

E

M

L

G

G

I

I

R

K

T

T

V

V

A

A

V

V

H

H

S

S

T

T

A

A

D

D

N

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

A

T

V

I

C

C

I

I

G

G

P

P

P

A

S

P

A

S

R

A

D

K

S

S

Y

Y

L

L

N

N

K

I

A

P

A

A

I

I

L

I

S

A

A

A

S

E

I

V

T

T

G

G

A

A

D

D

A

A

I

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

Q

E

M

Q

V

V

E

E

E

R

H

S

G

G

F

F

V

T

F

F

I

I

G

G

P

P

T

T

P

A

D

D

H

V

I

I

R

R

M

L

M

M

G

G

D

D

K
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K

I

V

T

S

A

A

K

I

Q

K

A

A

V

M

K

K

D

K

A

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

S

P

V

V

D

S

T

N

E

D

-

I

E

A

T

K

A

N

L

K

E

E

V

I

A

A

A

K

S

R

I

I

G

G

Y

Y

P

P

V

I

L
x
I

I

I

K
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K

A

A

T

S

A

G

G

G

G

-

K

-

G

-

M
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M

K

R

V

V

A

V

R

R

N

S

A

E

E

D

E

A

L

L

V

E

E

E

S

S

W

I

K

A

L

M

A

T

R

K

N

A

E

E

A

A

K

K

A

A

F

F

G

N

N

N

A
x
D

D

M

V

V

Y

Y

M

M

E
|
E

K

K

Y
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Y

L
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L

G

E

K

N

P

P

R

R

H
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H

I

V

E

E

M

I

Q

Q

I

V

L

L

A

A

D

D

N

T

Y

H

G

G

A

N

V

A

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V

H

Y

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L

G

A

E

E

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R

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D

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Q

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R

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H

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K

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V

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V

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E

A

A

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A

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A

A

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T

I

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L

Y

Y

E

E

N

N

G

G

E

E

F

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E

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N

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E

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A

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G

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R

V

W

D

D

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S

G

H

L

V

Y

Y

A

G

G

G

Y

Y

R

T

I

V

P

P

H

H

Y

Y

D

D

S

S

M

M

I

I

A

A

K

K

L

L

I

I

V

T

F

Y

G

G

N

D

T

T

R

R

N

E

E

V

A

A

L

I

M

R

R

R

L

M

K

Q

R

N

A

A

L

L

G

S

E

E

Y

T

V

I

I

I

E

D

G

G

V

I

K

K

T

T

T

N

L

I

P

P

L

L

H

H

N

E

R

L

L

I

V

L

Q

E

D

D

A

E

D

N

F

F

V

Q

N

K

G

G

D

G

Y

T

D

N

I
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I

H

H

W

Y

L

L

E

E

K

K

active site: K116 (= K116), K159 (= K158), D191 (≠ A195), H204 (= H208), R230 (≠ K234), T269 (= T273), E271 (= E275), E283 (= E287), N285 (= N289), R287 (= R291), E291 (= E295), R333 (= R337)
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 (≠ L156), K159 (= K158), M164 (= M168), E196 (= E200), Y198 (= Y202), L199 (= L203), H204 (= H208), Q228 (= Q232), E271 (= E275), L273 (= L277), E283 (= E287), I432 (= I436)

4mv3A Crystal structure of biotin carboxylase from haemophilus influenzae in complex with amppcp and bicarbonate (see paper)
61% identity, 99% coverage: 1:441/447 of query aligns to 1:436/439 of 4mv3A

query
sites
4mv3A

M

M

F

L

E

E

K

K

V

V

L

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

H

L

R

R

A

A

C

C

R

K

E

E

M

L

G

G

I

I

R

K

T

T

V

V

A

A

V

V

H

H

S

S

T

T

A

A

D

D

N

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

A

T

V

I

C

C

I

I

G

G

P

P

P

A

S

P

A

S

R

A

D

K

S

S

Y

Y

L

L

N

N

K

I

A

P

A

A

I

I

L

I

S

A

A

A

S

E

I

V

T

T

G

G

A

A

D

D

A

A

I

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

Q

E

M

Q

V

V

E

E

E

R

H

S

G

G

F

F

V

T

F

F

I

I

G

G

P

P

T

T

P

A

D

D

H

V

I

I

R

R

M

L

M

M

G

G

D

D

K
|
K

I

V

T

S

A

A

K

I

Q

K

A

A

V

M

K

K

D

K

A

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

S

P

V

V

D

S

T

N

E

D

-

I

E

A

T

K

A

N

L

K

E

E

V

I

A

A

A

K

S

R

I

I

G

G

Y

Y

P

P

V

I

L

I

I

I

K
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K

A

A

T

S

A

-

G

-

K

-

G

G

M
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M

K

R

V

V

A

V

R

R

N

S

A

E

E

D

E

A

L

L

V

E

E

E

S

S

W

I

K

A

L

M

A

T

R

K

N

A

E

E

A

A

K

K

A

A

F

F

G

N

N

N

A
x
D

D

M

V

V

Y

Y

M

M

E
|
E

K

K

Y
|
Y

L
|
L

G

E

K

N

P

P

R

R

H
|
H

I

V

E

E

M

I

Q

Q

I

V

L

L

A

A

D

D

N

T

Y

H

G

G

A

N

V

A

V

V

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q

Q

R

R

K
x
R

H

H

Q

Q

K

K

V

V

L

V

E

E

A

A

P

P

S

A

P

P

A

G

L

I

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A

R

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A

I

C

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Y

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R

N

G

A

A

G

G

T
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T

I

F

E
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E

F

F

L
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L

Y

Y

E

E

N

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
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E

M

M

N
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N

T

T

R
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R

L

I

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Q

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V

E
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E

H

H

P

P

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E

E

A

M

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T

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D

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I

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Q

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F

V

A

K

G

G

H

H

A

A

L

M

E

E

C

C

R
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R

V

I

N

N

A

A

E

E

D

D

P

P

V

K

T

T

F

F

T

L

P

P

C

S

P

P

G

G

R

K

I

V

E

N

G

H

Y

L

H

H

A

S

P

P

G

G

L

L

G

G

V

V

R

R

V

W

D

D

S

S

G

H

L

V

Y

Y

A

G

G

G

Y

Y

R

T

I

V

P

P

H

H

Y

Y

D

D

S

S

M

M

I

I

A

A

K

K

L

L

I

I

V

T

F

Y

G

G

N

D

T

T

R

R

N

E

E

V

A

A

L

I

M

R

R

R

L

M

K

Q

R

N

A

A

L

L

G

S

E

E

Y

T

V

I

I

I

E

D

G

G

V

I

K

K

T

T

T

N

L

I

P

P

L

L

H

H

N

E

R

L

L

I

V

L

Q

E

D

D

A

E

D

N

F

F

V

Q

N

K

G

G

D

G

Y

T

D

N

I

I

H

H

W

Y

L

L

E

E

K

K

active site: K116 (= K116), K159 (= K158), D190 (≠ A195), H203 (= H208), R229 (≠ K234), T268 (= T273), E270 (= E275), E282 (= E287), N284 (= N289), R286 (= R291), E290 (= E295), R332 (= R337)
binding phosphomethylphosphonic acid adenylate ester: K159 (= K158), M163 (= M168), E195 (= E200), Y197 (= Y202), L198 (= L203), E270 (= E275), L272 (= L277), E282 (= E287)
binding bicarbonate ion: R286 (= R291), Q288 (= Q293), V289 (= V294)

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)
62% identity, 99% coverage: 1:441/447 of query aligns to 1:442/448 of P43873

query
sites
P43873

M

M

F

L

E

E

K

K

V

V

L

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

H

L

R

R

A

A

C

C

R

K

E

E

M

L

G

G

I

I

R

K

T

T

V

V

A

A

V

V

H

H

S

S

T

T

A

A

D

D

N

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

A

T

V

I

C

C

I

I

G

G

P

P

P

A

S

P

A

S

R

A

D

K

S

S

Y

Y

L

L

N

N

K

I

A

P

A

A

I

I

L

I

S

A

A

A

S

E

I

V

T

T

G

G

A

A

D

D

A

A

I

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

Q

E

M

Q

V

V

E

E

E

R

H

S

G

G

F

F

V

T

F

F

I

I

G

G

P

P

T

T

P

A

D

D

H

V

I

I

R

R

M

L

M

M

G

G

D

D

K
|
K

I

V

T

S

A

A

K

I

Q

K

A

A

V

M

K

K

D

K

A

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

S

P

V

V

D

S

T

N

E

D

-

I

E

A

T

K

A

N

L

K

E

E

V

I

A

A

A

K

S

R

I

I

G

G

Y

Y

P

P

V

I

L

I

I

I

K
|
K

A

A

T

S

A

G

G

G

K

R

G

G

M

M

K

R

V

V

A

V

R

R

N

S

A

E

E

D

E

A

L

L

V

E

E

E

S

S

W

I

K

A

L

M

A

T

R

K

N

A

E

E

A

A

K

K

A

A

F

F

G

N

N

N

A

D

D

M

V

V

Y

Y

M

M

E
|
E

K
|
K

Y
|
Y

L
|
L

G

E

K

N

P

P

R

R

H

H

I

V

E

E

M

I

Q

Q

I

V

L

L

A

A

D

D

N

T

Y

H

G

G

A

N

V

A

V

V

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q

Q

R

R

K

R

H

H

Q

Q

K

K

V

V

L

V

E

E

A

A

P

P

S

A

P

P

A

G

L

I

N

T

A

E

D

E

Q

V

R

R

A

R

R

D

I

I

G

G

K

S

I

R

A

C

C

A

D

N

A

A

I

C

A

V

K

E

L

I

G

G

Y

Y

R

R

N

G

A

A

G

G

T

T

I

F

E
|
E

F

F

L

L

Y

Y

E

E

N

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R

R

L

I

Q

Q

V

V

E

E

H

H

P

P

I

V

T

T

E

E

A

M

I

I

T

T

G

G

I

V

D

D

L

L

V

V

R

K

E

E

Q

Q

I

L

R

R

I

I

A

A

G

G

A

L

P

P

L

I

G

S

Y

F

T

K

Q

Q

A

E

D

D

V

I

R

K

F

V

A

K

G

G

H

H

A

A

L

M

E

E

C

C

R

R

V

I

N

N

A

A

E

E

D

D

P

P

V

K

T

T

F

F

T

L

P

P

C

S

P

P

G

G

R

K

I

V

E

N

G

H

Y

L

H

H

A

S

P

P

G

G

L

L

G

G

V

V

R

R

V

W

D

D

S

S

G

H

L

V

Y

Y

A

G

G

G

Y

Y

R

T

I

V

P

P

H

H

Y

Y

D

D

S

S

M

M

I

I

A

A

K

K

L

L

I

I

V

T

F

Y

G

G

N

D

T

T

R

R

N

E

E

V

A

A

L

I

M

R

R

R

L

M

K

Q

R

N

A

A

L

L

G

S

E

E

Y

T

V

I

I

I

E

D

G

G

V

I

K

K

T

T

T

N

L

I

P

P

L

L

H

H

N

E

R

L

L

I

V

L

Q

E

D

D

A

E

D

N

F

F

V

Q

N

K

G

G

D

G

Y

T

D

N

I

I

H

H

W

Y

L

L

E

E

K

K

K116 (= K116) binding
K159 (= K158) binding
EKYL 201:204 (= EKYL 200:203) binding
E276 (= E275) binding ; binding
E288 (= E287) binding ; binding
N290 (= N289) 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
62% identity, 99% coverage: 1:441/447 of query aligns to 1:442/445 of 6ojhA

query
sites
6ojhA

M

M

F

L

E

E

K

K

V

V

L

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

H

L

R

R

A

A

C

C

R

K

E

E

M

L

G

G

I

I

R

K

T

T

V

V

A

A

V

V

H

H

S

S

T

T

A

A

D

D

N

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

A

T

V

I

C

C

I

I

G

G

P

P

P

A

S

P

A

S

R

A

D

K

S

S

Y

Y

L

L

N

N

K

I

A

P

A

A

I

I

L

I

S

A

A

A

S

E

I

V

T

T

G

G

A

A

D

D

A

A

I

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

Q

E

M

Q

V

V

E

E

E

R

H

S

G

G

F

F

V

T

F

F

I

I

G

G

P

P

T

T

P

A

D

D

H

V

I

I

R

R

M

L

M

M

G

G

D

D

K
|
K

I

V

T

S

A

A

K

I

Q

K

A

A

V

M

K

K

D

K

A

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

S

P

V

V

D

S

T

N

E

D

-

I

E

A

T

K

A

N

L

K

E

E

V

I

A

A

A

K

S

R

I

I

G

G

Y

Y

P

P

V

I

L

I

I

I

K
|
K

A

A

T

S

A

G

G

G

K

R

G

G

M
|
M

K

R

V

V

A

V

R

R

N

S

A

E

E

D

E

A

L

L

V

E

E

E

S

S

W

I

K

A

L

M

A

T

R

K

N

A

E

E

A

A

K

K

A

A

F

F

G

N

N

N

A
x
D

D

M

V

V

Y

Y

M

M

E
|
E

K

K

Y
|
Y

L
|
L

G

E

K

N

P

P

R

R

H
|
H

I

V

E

E

M

I

Q

Q

I

V

L

L

A

A

D

D

N

T

Y

H

G

G

A

N

V

A

V

V

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q

Q

R

R

K
x
R

H
|
H

Q

Q

K

K

V

V

L

V

E

E

A

A

P

P

S

A

P

P

A

G

L

I

N

T

A

E

D

E

Q

V

R

R

A

R

R

D

I

I

G

G

K

S

I

R

A

C

C

A

D

N

A

A

I

C

A

V

K

E

L

I

G

G

Y

Y

R

R

N

G

A

A

G

G

T
|
T

I

F

E
|
E

F

F

L
|
L

Y

Y

E

E

N

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

L

I

Q

Q

V

V

E
|
E

H

H

P

P

I

V

T

T

E

E

A

M

I

I

T

T

G

G

I

V

D

D

L

L

V

V

R

K

E

E

Q

Q

I

L

R

R

I

I

A

A

G

G

A

L

P

P

L

I

G

S

Y

F

T

K

Q

Q

A

E

D

D

V

I

R

K

F

V

A

K

G

G

H

H

A

A

L

M

E

E

C

C

R
|
R

V

I

N

N

A

A

E

E

D

D

P

P

V

K

T

T

F

F

T

L

P

P

C

S

P

P

G

G

R

K

I

V

E

N

G

H

Y

L

H

H

A

S

P

P

G

G

L

L

G

G

V

V

R

R

V

W

D

D

S

S

G

H

L

V

Y

Y

A

G

G

G

Y

Y

R

T

I

V

P

P

H

H

Y

Y

D

D

S

S

M

M

I

I

A

A

K

K

L

L

I

I

V

T

F

Y

G

G

N

D

T

T

R

R

N

E

E

V

A

A

L

I

M

R

R

R

L

M

K

Q

R

N

A

A

L

L

G

S

E

E

Y

T

V

I

I

I

E

D

G

G

V

I

K

K

T

T

T

N

L

I

P

P

L

L

H

H

N

E

R

L

L

I

V

L

Q

E

D

D

A

E

D

N

F

F

V

Q

N

K

G

G

D

G

Y

T

D

N

I
|
I

H

H

W

Y

L

L

E

E

K

K

active site: K116 (= K116), K159 (= K158), D196 (≠ A195), H209 (= H208), R235 (≠ K234), T274 (= T273), E276 (= E275), E288 (= E287), N290 (= N289), R292 (= R291), E296 (= E295), R338 (= R337)
binding calcium ion: E276 (= E275), E288 (= E287), N290 (= N289)
binding 7-[(3R)-3-aminopyrrolidin-1-yl]-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine: K159 (= K158), M169 (= M168), E201 (= E200), Y203 (= Y202), L204 (= L203), H236 (= H235), L278 (= L277), E288 (= E287), I437 (= I436)

2vqdA Crystal structure of biotin carboxylase from pseudomonas aeruginosa complexed with ampcp (see paper)
60% identity, 99% coverage: 1:441/447 of query aligns to 1:442/447 of 2vqdA

query
sites
2vqdA

M

M

F

L

E

E

K

K

V

V

L

L

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

H

L

R

R

A

A

C

C

R

K

E

E

M

L

G

G

I

I

R

K

T

T

V

V

A

A

V

V

H

H

S

S

T

T

A

A

D

D

N

R

D

E

A

L

M

M

H

H

V

L

R

S

L

L

A

A

D

D

E

E

A

S

V

V

C

C

I

I

G

G

P

P

P

A

S

P

A

A

R

T

D

Q

S

S

Y

Y

L

L

N

Q

K

I

A

P

A

A

I

I

L

I

S

A

A

A

S

E

I

V

T

T

G

G

A

A

D

T

A

A

I

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

Q

E

M

Q

V

I

E

E

E

R

H

S

G

G

F

F

V

T

F

F

I

V

G

G

P

P

T

T

P

A

D

E

H

V

I

I

R

R

M

L

M

M

G

G

D

D

K
|
K

I

V

T

S

A

A

K

K

Q

D

A

A

V

M

K

K

D

R

A

A

G

G

I

V

P

P

V

T

V

V

P

P

G

G

S

S

D

D

G

G

S

P

V

L

-

P

D

E

T

D

E

E

T

T

A

A

L

L

E

A

V

I

A

A

A

R

S

E

I

V

G

G

Y

Y

P

P

V

V

L
x
I

I

I

K
|
K

A

A

T

A

A

G

G

G

G
|
G

G

G

G
|
G

K

R

G

G

M

M

K

R

V

V

A

V

R

Y

N

D

A

E

E

S

E

E

L

L

V

I

E

K

S

S

W

A

K

K

L

L

A

T

R

R

N

T

E

E

A

A

K

G

A

A

F

F

G

G

N

N

A
x
P

D

M

V

V

Y

Y

M

L

E

E

K

K

Y
x
F

L
|
L

G

T

K

N

P

P

R

R

H
|
H

I

V

E

E

M

V

Q

Q

I

V

L

L

A

S

D

D

N

G

Y

Q

G

G

A

N

V

A

V

I

H

H

L

L

G

G

E

D

R

R

D

D

C

C

S

S

L

L

Q
|
Q

R

R

K
x
R

H
|
H

Q

Q

K

K

V

V

L

I

E

E

A

A

P

P

S

A

P

P

A

G

L

I

N

D

A

E

D

K

Q

A

R

R

A

Q

R

E

I

V

G

F

K

A

I

R

A

C

C

V

D

Q

A

A

I

C

A

I

K

E

L

I

G

G

Y

Y

R

R

N

G

A

A

G

G

T
|
T

I

F

E
|
E

F

F

L
|
L

Y

Y

E

E

N

N

G

G

E

R

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

L

V

Q

Q

V

V

E
|
E

H

H

P

P

I

V

T

S

E

E

A

M

I

V

T

T

G

G

I

V

D

D

L

I

V

V

R

K

E

E

Q

M

I

L

R

R

I

I

A

A

A

S

G

G

A

E

P

K

L

L

G

S

Y

I

T

R

Q

Q

A

E

D

D

V

V

R

V

F

I

A

R

G

G

H

H

A

A

L

L

E

E

C

C

R
|
R

V

I

N

N

A

A

E

E

D

D

P

P

V

K

T

T

F

F

T

M

P

P

C

S

P

P

G

G

R

K

I

V

E

K

G

H

Y

F

H

H

A

A

P

P

G

G

L

N

G

G

V

V

R

R

V

V

D

D

S

S

G

H

L

L

Y

Y

A

S

G

G

Y

Y

R

S

I

V

P

P

H

N

Y

Y

D

D

S

S

M

L

I

V

A

G

K

K

L

V

I

I

V

T

F

Y

G

G

N

A

T

D

R

R

N

D

E

E

A

A

L

L

M

A

R

R

L

M

K

R

R

N

A

A

L

L

G

D

E

E

Y

L

V

I

I

V

E

D

G

G

V

I

K

K

T

T

T

N

L

T

P

E

L

L

H

H

N

K

R

D

L

L

V

V

Q

R

D

D

A

A

D

A

F

F

V

C

N

K

G

G

D

G

Y

V

D

N

I
|
I

H

H

W

Y

L

L

E

E

K

K

active site: K116 (= K116), K159 (= K158), P196 (≠ A195), H209 (= H208), R235 (≠ K234), T274 (= T273), E276 (= E275), E288 (= E287), N290 (= N289), R292 (= R291), E296 (= E295), R338 (= R337)
binding phosphomethylphosphonic acid adenosyl ester: K116 (= K116), I157 (≠ L156), K159 (= K158), G164 (= G163), G166 (= G165), F203 (≠ Y202), L204 (= L203), H209 (= H208), Q233 (= Q232), H236 (= H235), L278 (= L277), E288 (= E287), I437 (= I436)
binding magnesium ion: E276 (= E275), E288 (= E287)

4mv1A Crystal structure of biotin carboxylase from haemophilus influenzae in complex with adp and phosphate (see paper)
59% identity, 99% coverage: 1:441/447 of query aligns to 1:428/430 of 4mv1A

query
sites
4mv1A

M

M

F

L

E

E

K

K

V

V

L

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

H

L

R

R

A

A

C

C

R

K

E

E

M

L

G

G

I

I

R

K

T

T

V

V

A

A

V

V

H

H

S

S

T

T

A

A

D

D

N

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

A

T

V

I

C

C

I

I

G

G

P

P

P

A

S

P

A

S

R

A

D

K

S

S

Y

Y

L

L

N

N

K

I

A

P

A

A

I

I

L

I

S

A

A

A

S

E

I

V

T

T

G

G

A

A

D

D

A

A

I

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

Q

E

M

Q

V

V

E

E

E

R

H

S

G

G

F

F

V

T

F

F

I

I

G

G

P

P

T

T

P

A

D

D

H

V

I

I

R

R

M

L

M

M

G

G

D

D

K
|
K

I

V

T

S

A

A

K

I

Q

K

A

A

V

M

K

K

D

K

A

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

S

P

V

V

D

S

T

N

E

D

-

I

E

A

T

K

A

N

L

K

E

E

V

I

A

A

A

K

S

R

I

I

G

G

Y

Y

P

P

V

I

L

I

I

I

K
|
K

A

A

T

S

A

-

G

-

K

-

G

G

M

M

K

R

V

V

A

V

R

R

N

S

A

E

E

D

E

A

L

L

V

E

E

E

S

S

W

I

K

A

L

M

A

T

R

K

N

A

E
x
D

A

M

K

-

A

-

F

-

G

-

N

-

A

-

D

-

V

V

Y

Y

M

M

E
|
E

K
|
K

Y
|
Y

L
|
L

G

E

K

N

P

P

R

R

H
|
H

I

V

E

E

M

I

Q

Q

I

V

L

L

A

A

D

D

N

T

Y

H

G

G

A

N

V

A

V

V

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q

Q

R

R

K
x
R

H

H

Q

Q

K
|
K

V

V

L

V

E

E

A

A

P

P

S

A

P

P

A

G

L

I

N

T

A

E

D

E

Q

V

R

R

A

R

R

D

I

I

G

G

K

S

I

R

A

C

C

A

D

N

A

A

I

C

A

V

K

E

L

I

G

G

Y

Y

R

R

N

G

A

A

G

G

T
|
T

I

F

E
|
E

F

F

L
|
L

Y

Y

E

E

N

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

L

I

Q
|
Q

V
|
V

E
|
E

H

H

P

P

I

V

T

T

E

E

A

M

I

I

T

T

G

G

I

V

D

D

L

L

V

V

R

K

E

E

Q

Q

I

L

R

R

I

I

A

A

G

G

A

L

P

P

L

I

G

S

Y

F

T

K

Q

Q

A

E

D

D

V

I

R

K

F

V

A

K

G

G

H

H

A

A

L

M

E

E

C

C

R
|
R

V

I

N

N

A

A

E

E

D

D

P

P

V

K

T

T

F

F

T

L

P

P

C

S

P

P

G

G

R

K

I

V

E

N

G

H

Y

L

H

H

A

S

P

P

G

G

L

L

G

G

V

V

R

R

V

W

D

D

S

S

G

H

L

V

Y

Y

A

G

G

G

Y

Y

R

T

I

V

P

P

H

H

Y

Y

D

D

S

S

M

M

I

I

A

A

K

K

L

L

I

I

V

T

F

Y

G

G

N

D

T

T

R

R

N

E

E

V

A

A

L

I

M

R

R

R

L

M

K

Q

R

N

A

A

L

L

G

S

E

E

Y

T

V

I

I

I

E

D

G

G

V

I

K

K

T

T

T

N

L

I

P

P

L

L

H

H

N

E

R

L

L

I

V

L

Q

E

D

D

A

E

D

N

F

F

V

Q

N

K

G

G

D

G

Y

T

D

N

I

I

H

H

W

Y

L

L

E

E

K

K

active site: K116 (= K116), K159 (= K158), D182 (≠ E187), H195 (= H208), R221 (≠ K234), T260 (= T273), E262 (= E275), E274 (= E287), N276 (= N289), R278 (= R291), E282 (= E295), R324 (= R337)
binding adenosine-5'-diphosphate: K159 (= K158), E187 (= E200), K188 (= K201), Y189 (= Y202), L190 (= L203), L264 (= L277)
binding phosphate ion: K224 (= K237), R278 (= R291), Q280 (= Q293), V281 (= V294), E282 (= E295)

2vr1A Crystal structure of biotin carboxylase from e. Coli in complex with atp analog, adpcf2p. (see paper)
60% identity, 99% coverage: 1:441/447 of query aligns to 1:440/444 of 2vr1A

query
sites
2vr1A

M

M

F

L

E

D

K

K

V

I

L

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

H

L

R

R

A

A

C

C

R

K

E

E

M

L

G

G

I

I

R

K

T

T

V

V

A

A

V

V

H

H

S

S

T

S

A

A

D

D

N

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

A

T

V

V

C

C

I

I

G

G

P

P

P

A

S

P

A

S

R

V

D

K

S

S

Y

Y

L

L

N

N

K

I

A

P

A

A

I

I

L

I

S

S

A

A

S

E

I

I

T

T

G

G

A

A

D

V

A

A

I

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

Q

E

M

Q

V

V

E

E

E

R

H

S

G

G

F

F

V

I

F

F

I

I

G

G

P

P

T

K

P

A

D

E

H

T

I

I

R

R

M

L

M

M

G

G

D

D

K
|
K

I

V

T

S

A

A

K

I

Q

A

A

A

V

M

K

K

D

K

A

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

S

P

V

L

-

G

D

D

T

D

E

M

E

D

T

K

A

N

L

R

E

A

V

I

A

A

A

K

S

R

I

I

G

G

Y

Y

P

P

V

V

L

I

I

I

K
|
K

A

A

T

S

A

-

G

-

G

G

K
x
R

G

G

M
|
M

K

R

V

V

A

V

R

R

N

G

A

D

E

A

E

E

L

L

V

A

E

Q

S

S

W

I

K

S

L

M

A

T

R

R

N

A

E

E

A

A

K

K

A

A

F

F

G

S

N

N

A
x
D

D

M

V

V

Y

Y

M

M

E

E

K

K

Y
|
Y

L
|
L

G

E

K

N

P

P

R

R

H
|
H

I

V

E

E

M

I

Q

Q

I

V

L

L

A

A

D

D

N

G

Y

Q

G

G

A

N

V

A

V

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q

Q

R

R

K
x
R

H

H

Q

Q

K

K

V

V

L

V

E

E

A

A

P

P

S

A

P

P

A

G

L

I

N

T

A

P

D

E

Q

L

R

R

A

R

R

Y

I

I

G

G

K

E

I

R

A

C

C

A

D

K

A

A

I

C

A

V

K

D

L

I

G

G

Y

Y

R

R

N

G

A

A

G

G

T
|
T

I

F

E
|
E

F

F

L
|
L

Y

F

E

E

N

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

L

I

Q

Q

V

V

E
|
E

H

H

P

P

I

V

T

T

E

E

A

M

I

I

T

T

G

G

I

V

D

D

L

L

V

I

R

K

E

E

Q

Q

I

L

R

R

I

I

A

A

G

G

A

Q

P

P

L

L

G

S

Y

I

T

K

Q

Q

A

E

D

E

V

V

R

H

F

V

A

R

G

G

H

H

A

A

L

V

E

E

C

C

R
|
R

V

I

N

N

A

A

E

E

D

D

P

P

V

N

T

T

F

F

T

L

P

P

C

S

P

P

G

G

R

K

I

I

E

T

G

R

Y

F

H

H

A

A

P

P

G

G

L

F

G

G

V

V

R

R

V

W

D

E

S

S

G

H

L

I

Y

Y

A

A

G

G

Y

Y

R

T

I

V

P

P

H

Y

Y

Y

D

D

S

S

M

M

I

I

A

G

K

K

L

L

I

I

V

C

F

Y

G

G

N

E

T

N

R

R

N

D

E

V

A

A

L

I

M

A

R

R

L

M

K

K

R

N

A

A

L

L

G

Q

E

E

Y

L

V

I

I

I

E

D

G

G

V

I

K

K

T

T

T

N

L

V

P

D

L

L

H

Q

N

I

R

R

L

I

V

M

Q

N

D

D

A

E

D

N

F

F

V

Q

N

H

G

G

D

G

Y

T

D

N

I
|
I

H

H

W

Y

L

L

E

E

K

K

active site: K116 (= K116), K159 (= K158), D194 (≠ A195), H207 (= H208), R233 (≠ K234), T272 (= T273), E274 (= E275), E286 (= E287), N288 (= N289), R290 (= R291), E294 (= E295), R336 (= R337)
binding phosphodifluoromethylphosphonic acid-adenylate ester: K159 (= K158), R165 (≠ K166), M167 (= M168), Y201 (= Y202), L202 (= L203), E274 (= E275), L276 (= L277), E286 (= E287), N288 (= N289), I435 (= I436)

4rzqA Structural analysis of substrate, reaction intermediate and product binding in haemophilus influenzae biotin carboxylase (see paper)
59% identity, 99% coverage: 1:441/447 of query aligns to 2:418/422 of 4rzqA

query
sites
4rzqA

M

M

F

L

E

E

K

K

V

V

L

V

I

I

A

A

N
|
N

R
|
R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

H

L

R

R

A

A

C

C

R

K

E

E

M

L

G

G

I

I

R

K

T

T

V

V

A

A

V

V

H

H

S

S

T

T

A

A

D

D

N

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

A

T

V

I

C

C

I

I

G

G

P

P

P

A

S

P

A

S

R

A

D

K

S

S

Y

Y

L

L

N

N

K

I

A

P

A

A

I

I

L

I

S

A

A

A

S

E

I

V

T

T

G

G

A

A

D

D

A

A

I

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

Q

E

M

Q

V

V

E

E

E

R

H

S

G

G

F

F

V

T

F

F

I

I

G

G

P

P

T

T

P

A

D

D

H

V

I

I

R

R

M

L

M

M

G

G

D

D

K
|
K

I

V

T

S

A

A

K

I

Q

K

A

A

V

M

K

K

D

K

A

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

S

P

V

A

D

K

T

N

E

K

E

E

T

-

A

-

L

-

E

-

V

I

A

A

A

K

S

R

I

I

G

G

Y

Y

P

P

V

I

L

I

I

I

K
|
K

A

-

T

-

A

-

G

-

K

-

G

-

M

-

K

R

V

V

A

V

R

R

N

S

A

E

E

D

E

A

L

L

V

E

E

E

S

S

W

I

K

A

L

M

A

T

R

K

N

A

E

E

A

-

K

-

A

-

F

-

G

-

N

-

A

-

D

-

V

-

Y

Y

M

M

E

E

K

K

Y
|
Y

L
|
L

G

E

K

N

P

P

R

R

H
|
H

I

V

E

E

M

I

Q

Q

I

V

L

L

A

A

D

D

N

T

Y

H

G

G

A

N

V

A

V

V

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q

Q

R

R

K
x
R

H

H

Q

Q

K
|
K

V

V

L

V

E

E

A

A

P

P

S

A

P

P

A

G

L

I

N

T

A

E

D

E

Q

V

R

R

A

R

R

D

I

I

G

G

K

S

I

R

A

C

C

A

D

N

A

A

I

C

A

V

K

E

L

I

G

G

Y

Y

R

R

N

G

A

A

G

G

T
|
T

I

F

E
|
E

F

F

L
|
L

Y

Y

E

E

N

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

L

I

Q
|
Q

V
|
V

E
|
E

H

H

P

P

I

V

T

T

E

E

A

M

I

I

T

T

G

G

I

V

D

D

L

L

V

V

R

K

E

E

Q

Q

I

L

R

R

I

I

A

A

G

G

A

L

P

P

L

I

G

S

Y

F

T

K

Q

Q

A

E

D

D

V

I

R

K

F

V

A

K

G

G

H

H

A

A

L

M

E

E

C

C

R
|
R

V

I

N

N

A

A

E

E

D

D

P

P

V

K

T

T

F

F

T

L

P

P

C

S

P

P

G

G

R

K

I

V

E

N

G

H

Y

L

H

H

A

S

P

P

G

G

L

L

G

G

V

V

R

R

V

W

D

D

S

S

G

H

L

V

Y

Y

A

G

G

G

Y

Y

R

T

I

V

P

P

H

H

Y

Y

D
|
D

S

S

M

M

I

I

A

A

K

K

L

L

I

I

V

T

F

Y

G

G

N

D

T

T

R

R

N

E

E

V

A

A

L

I

M

R

R

R

L

M

K

Q

R

N

A

A

L

L

G

S

E

E

Y

T

V

I

I

I

E

D

G

G

V

I

K

K

T

T

T

N

L

I

P

P

L

L

H

H

N

E

R

L

L

I

V

L

Q

E

D

D

A

E

D

N

F

F

V

Q

N

K

G

G

D

G

Y

T

D

N

I

I

H

H

W

Y

L

L

E

E

K

K

active site: K117 (= K116), K155 (= K158), H185 (= H208), R211 (≠ K234), T250 (= T273), E252 (= E275), E264 (= E287), N266 (= N289), R268 (= R291), E272 (= E295), R314 (= R337)
binding adenosine-5'-diphosphate: Y179 (= Y202), L180 (= L203), L254 (= L277)
binding methyl (3aS,4S,6aR)-4-(5-methoxy-5-oxopentyl)-2-oxohexahydro-1H-thieno[3,4-d]imidazole-1-carboxylate: N10 (= N9), R11 (= R10), Y83 (= Y82), F85 (= F84), K214 (= K237), R268 (= R291), Q270 (= Q293), V271 (= V294), E272 (= E295), R314 (= R337), D358 (= D381)

P24182 Biotin carboxylase; Acetyl-coenzyme A carboxylase biotin carboxylase subunit A; EC 6.3.4.14 from Escherichia coli (strain K12) (see 3 papers)
60% identity, 99% coverage: 1:441/447 of query aligns to 1:442/449 of P24182

query
sites
P24182

M

M

F

L

E

D

K

K

V

I

L

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

H

L

R
|
R

A

A

C

C

R

K

E
|
E

M

L

G

G

I

I

R

K

T

T

V

V

A

A

V

V

H

H

S

S

T

S

A

A

D

D

N

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

A

T

V

V

C

C

I

I

G

G

P

P

P

A

S

P

A

S

R

V

D

K

S

S

Y

Y

L

L

N

N

K

I

A

P

A

A

I

I

L

I

S

S

A

A

S

E

I

I

T

T

G

G

A

A

D

V

A

A

I

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

Q

E

M

Q

V

V

E

E

E

R

H

S

G

G

F

F

V

I

F

F

I

I

G

G

P

P

T

K

P

A

D

E

H

T

I

I

R

R

M

L

M

M

G

G

D

D

K
|
K

I

V

T

S

A

A

K

I

Q

A

A

A

V

M

K

K

D

K

A

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

S

P

V

L

-

G

D

D

T

D

E

M

E

D

T

K

A

N

L

R

E

A

V

I

A

A

A

K

S

R

I

I

G

G

Y

Y

P

P

V

V

L

I

I

I

K
|
K

A

A

T

S

A

G

G

G

G
|
G

K

R

G

G

M

M

K

R

V

V

A

V

R

R

N

G

A

D

E

A

E

E

L

L

V

A

E

Q

S

S

W

I

K

S

L

M

A

T

R

R

N

A

E

E

A

A

K

K

A

A

F

F

G

S

N

N

A

D

D

M

V

V

Y

Y

M

M

E
|
E

K
|
K

Y
|
Y

L
|
L

G

E

K

N

P

P

R

R

H
|
H

I

V

E

E

M

I

Q

Q

I

V

L

L

A

A

D

D

N

G

Y

Q

G

G

A

N

V

A

V

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q

Q

R

R

K

R

H
|
H

Q

Q

K
|
K

V

V

L

V

E

E

A

A

P

P

S

A

P

P

A

G

L

I

N

T

A

P

D

E

Q

L

R

R

A

R

R

Y

I

I

G

G

K

E

I

R

A

C

C

A

D

K

A

A

I

C

A

V

K

D

L

I

G

G

Y

Y

R

R

N

G

A

A

G

G

T

T

I

F

E
|
E

F

F

L

L

Y

F

E

E

N

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N

N

T

T

R
|
R

L

I

Q

Q

V
|
V

E
|
E

H

H

P

P

I

V

T

T

E

E

A

M

I

I

T

T

G

G

I

V

D

D

L

L

V

I

R

K

E

E

Q

Q

I

L

R

R

I

I

A

A

G

G

A

Q

P

P

L

L

G

S

Y

I

T

K

Q

Q

A

E

D

E

V

V

R

H

F

V

A

R

G

G

H

H

A

A

L

V

E

E

C

C

R
|
R

V

I

N

N

A

A

E

E

D

D

P

P

V

N

T

T

F

F

T

L

P

P

C

S

P

P

G

G

R

K

I

I

E

T

G

R

Y

F

H

H

A

A

P

P

G

G

L
x
F

G

G

V

V

R
|
R

V

W

D

E

S

S

G

H

L

I

Y

Y

A

A

G

G

Y

Y

R

T

I

V

P

P

H

Y

Y

Y

D

D

S

S

M

M

I

I

A

G

K

K

L

L

I

I

V

C

F

Y

G

G

N

E

T

N

R

R

N

D

E

V

A

A

L

I

M

A

R

R

L

M

K

K

R

N

A

A

L

L

G

Q

E

E

Y

L

V

I

I

I

E

D

G

G

V

I

K

K

T

T

T

N

L

V

P

D

L

L

H

Q

N

I

R

R

L

I

V

M

Q

N

D

D

A

E

D

N

F

F

V

Q

N

H

G

G

D

G

Y

T

D

N

I

I

H

H

W

Y

L

L

E

E

K

K

R19 (= R19) mutation to E: Loss of homodimerization. No effect on ATP binding.
E23 (= E23) mutation to R: Loss of homodimerization. No effect on ATP binding.
K116 (= K116) binding
K159 (= K158) binding
GG 165:166 (= GG 164:165) binding
EKYL 201:204 (= EKYL 200:203) binding
H209 (= H208) binding
H236 (= H235) binding
K238 (= K237) binding
E276 (= E275) binding ; binding
E288 (= E287) binding ; binding
R292 (= R291) active site; binding
V295 (= V294) binding
E296 (= E295) mutation to A: Severe reduction in catalytic activity.
R338 (= R337) binding ; binding ; mutation to A: Severe reduction in catalytic activity.
F363 (≠ L362) mutation to A: Loss of homodimerization. No effect on ATP binding.
R366 (= R365) mutation to E: Loss of homodimerization. No effect on ATP binding.

3rupA Crystal structure of e.Coli biotin carboxylase in complex with two adp and two ca ions (see paper)
60% identity, 99% coverage: 1:441/447 of query aligns to 1:442/444 of 3rupA

query
sites
3rupA

M

M

F

L

E

D

K

K

V

I

L

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

H

L

R

R

A

A

C

C

R

K

E

E

M

L

G

G

I

I

R

K

T

T

V

V

A

A

V

V

H

H

S

S

T

S

A

A

D

D

N

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

A

T

V

V

C

C

I

I

G

G

P

P

P

A

S

P

A

S

R

V

D

K

S

S

Y

Y

L

L

N

N

K

I

A

P

A

A

I

I

L

I

S

S

A

A

S

E

I

I

T

T

G

G

A

A

D

V

A

A

I

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

Q

E

M

Q

V

V

E

E

E

R

H

S

G

G

F

F

V

I

F

F

I

I

G

G

P

P

T

K

P

A

D

E

H

T

I

I

R

R

M

L

M

M

G

G

D

D

K
|
K

I

V

T

S

A

A

K

I

Q

A

A

A

V

M

K

K

D

K

A

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

S

P

V

L

-

G

D

D

T

D

E

M

E

D

T

K

A

N

L

R

E

A

V

I

A

A

A

K

S

R

I

I

G

G

Y

Y

P

P

V

V

L

I

I

I

K
|
K

A

A

T

S

A

G

G

G

G
|
G

K
x
R

G

G

M
|
M

K

R

V

V

A

V

R

R

N

G

A

D

E

A

E

E

L

L

V

A

E

Q

S

S

W

I

K

S

L

M

A

T

R

R

N

A

E

E

A

A

K

K

A

A

F
|
F

G

S

N

N

A
x
D

D

M

V

V

Y

Y

M

M

E
|
E

K
|
K

Y
|
Y

L
|
L

G

E

K

N

P

P

R

R

H
|
H

I

V

E

E

M

I

Q

Q

I

V

L

L

A

A

D

D

N

G

Y

Q

G

G

A

N

V

A

V

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q
|
Q

R

R

K
x
R

H
|
H

Q

Q

K
|
K

V

V

L

V

E

E

A

A

P

P

S

A

P

P

A

G

L

I

N

T

A

P

D

E

Q

L

R

R

A

R

R

Y

I

I

G

G

K

E

I

R

A

C

C

A

D

K

A

A

I

C

A

V

K

D

L

I

G

G

Y

Y

R

R

N

G

A

A

G

G

T
|
T

I

F

E
|
E

F

F

L
|
L

Y

F

E

E

N

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

L

I

Q

Q

V
|
V

E
|
E

H

H

P

P

I

V

T

T

E

E

A

M

I

I

T

T

G

G

I

V

D

D

L

L

V

I

R

K

E

E

Q

Q

I

L

R

R

I

I

A

A

G

G

A

Q

P

P

L

L

G

S

Y

I

T

K

Q

Q

A

E

D

E

V

V

R

H

F

V

A

R

G

G

H

H

A

A

L

V

E

E

C

C

R
|
R

V

I

N

N

A

A

E

E

D

D

P

P

V

N

T

T

F

F

T

L

P

P

C

S

P

P

G

G

R

K

I

I

E

T

G

R

Y

F

H

H

A

A

P

P

G

G

L

F

G

G

V

V

R

R

V

W

D

E

S

S

G

H

L

I

Y

Y

A

A

G

G

Y

Y

R

T

I

V

P

P

H

Y

Y

Y

D
|
D

S

S

M

M

I

I

A

G

K

K

L

L

I

I

V

C

F

Y

G

G

N

E

T

N

R

R

N

D

E

V

A

A

L

I

M

A

R

R

L

M

K

K

R

N

A

A

L

L

G

Q

E

E

Y

L

V

I

I

I

E

D

G

G

V

I

K

K

T

T

T

N

L

V

P

D

L

L

H

Q

N

I

R

R

L

I

V

M

Q

N

D

D

A

E

D

N

F

F

V

Q

N

H

G

G

D

G

Y

T

D

N

I
|
I

H

H

W

Y

L

L

E

E

K

K

active site: K116 (= K116), K159 (= K158), D196 (≠ A195), H209 (= H208), R235 (≠ K234), T274 (= T273), E276 (= E275), E288 (= E287), N290 (= N289), R292 (= R291), E296 (= E295), R338 (= R337)
binding adenosine-5'-diphosphate: Y82 (= Y82), G83 (= G83), K116 (= K116), K159 (= K158), G164 (= G163), G164 (= G163), G165 (= G164), G166 (= G165), R167 (≠ K166), M169 (= M168), F193 (= F192), E201 (= E200), K202 (= K201), Y203 (= Y202), L204 (= L203), H209 (= H208), Q233 (= Q232), H236 (= H235), K238 (= K237), L278 (= L277), E288 (= E287), R292 (= R291), V295 (= V294), E296 (= E295), R338 (= R337), D382 (= D381), I437 (= I436)
binding calcium ion: E87 (= E87), E276 (= E275), E288 (= E287), E288 (= E287), N290 (= N289)

3g8cA Crystal structure of biotin carboxylase in complex with biotin, bicarbonate, adp and mg ion (see paper)
60% identity, 99% coverage: 1:441/447 of query aligns to 1:442/444 of 3g8cA

query
sites
3g8cA

M

M

F

L

E

D

K

K

V

I

L

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

H

L

R

R

A

A

C

C

R

K

E

E

M

L

G

G

I

I

R

K

T

T

V

V

A

A

V

V

H

H

S

S

T

S

A

A

D

D

N

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

A

T

V

V

C

C

I

I

G

G

P

P

P

A

S

P

A

S

R

V

D

K

S

S

Y

Y

L

L

N

N

K

I

A

P

A

A

I

I

L

I

S

S

A

A

S

E

I

I

T

T

G

G

A

A

D

V

A

A

I

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

Q

E

M

Q

V

V

E

E

E

R

H

S

G

G

F

F

V

I

F

F

I

I

G

G

P

P

T

K

P

A

D

E

H

T

I

I

R

R

M

L

M

M

G

G

D

D

K
|
K

I

V

T

S

A

A

K

I

Q

A

A

A

V

M

K

K

D

K

A

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

S

P

V

L

-

G

D

D

T

D

E

M

E

D

T

K

A

N

L

R

E

A

V

I

A

A

A

K

S

R

I

I

G

G

Y

Y

P

P

V

V

L
x
I

I

I

K
|
K

A

A

T

S

A

G

G

G

G
|
G

G

G

K

R

G

G

M
|
M

K

R

V

V

A

V

R

R

N

G

A

D

E

A

E

E

L

L

V

A

E

Q

S

S

W

I

K

S

L

M

A

T

R

R

N

A

E

E

A

A

K

K

A

A

F

F

G

S

N

N

A
x
D

D

M

V

V

Y

Y

M

M

E
|
E

K
|
K

Y
|
Y

L
|
L

G

E

K

N

P

P

R

R

H
|
H

I

V

E

E

M

I

Q

Q

I

V

L

L

A

A

D

D

N

G

Y

Q

G

G

A

N

V

A

V

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q
|
Q

R

R

K
x
R

H
|
H

Q

Q

K
|
K

V

V

L

V

E

E

A

A

P

P

S

A

P

P

A

G

L

I

N

T

A

P

D

E

Q

L

R

R

A

R

R

Y

I

I

G

G

K

E

I

R

A

C

C

A

D

K

A

A

I

C

A

V

K

D

L

I

G

G

Y

Y

R

R

N

G

A

A

G

G

T
|
T

I

F

E
|
E

F

F

L
|
L

Y

F

E

E

N

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

L

I

Q
|
Q

V
|
V

E
|
E

H

H

P

P

I

V

T

T

E

E

A

M

I

I

T

T

G

G

I

V

D

D

L

L

V

I

R

K

E

E

Q

Q

I

L

R

R

I

I

A

A

G

G

A

Q

P

P

L

L

G

S

Y

I

T

K

Q

Q

A

E

D

E

V

V

R

H

F

V

A

R

G

G

H

H

A

A

L

V

E

E

C

C

R
|
R

V

I

N

N

A

A

E

E

D

D

P

P

V

N

T

T

F

F

T

L

P

P

C

S

P

P

G

G

R

K

I

I

E

T

G

R

Y

F

H

H

A

A

P

P

G

G

L

F

G

G

V

V

R

R

V

W

D

E

S

S

G

H

L

I

Y

Y

A

A

G

G

Y

Y

R

T

I

V

P

P

H

Y

Y

Y

D
|
D

S

S

M

M

I

I

A

G

K

K

L

L

I

I

V

C

F

Y

G

G

N

E

T

N

R

R

N

D

E

V

A

A

L

I

M

A

R

R

L

M

K

K

R

N

A

A

L

L

G

Q

E

E

Y

L

V

I

I

I

E

D

G

G

V

I

K

K

T

T

T

N

L

V

P

D

L

L

H

Q

N

I

R

R

L

I

V

M

Q

N

D

D

A

E

D

N

F

F

V

Q

N

H

G

G

D

G

Y

T

D

N

I
|
I

H

H

W

Y

L

L

E

E

K

K

active site: K116 (= K116), K159 (= K158), D196 (≠ A195), H209 (= H208), R235 (≠ K234), T274 (= T273), E276 (= E275), E288 (= E287), N290 (= N289), R292 (= R291), E296 (= E295), R338 (= R337)
binding adenosine-5'-diphosphate: I157 (≠ L156), K159 (= K158), G164 (= G163), M169 (= M168), E201 (= E200), K202 (= K201), Y203 (= Y202), L204 (= L203), Q233 (= Q232), H236 (= H235), L278 (= L277), E288 (= E287), I437 (= I436)
binding bicarbonate ion: K238 (= K237), R292 (= R291), Q294 (= Q293), V295 (= V294), E296 (= E295)
binding biotin: Y82 (= Y82), F84 (= F84), R292 (= R291), V295 (= V294), R338 (= R337), D382 (= D381)
binding magnesium ion: E276 (= E275), E288 (= E287)

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)
60% identity, 99% coverage: 1:441/447 of query aligns to 1:442/446 of 6oi9A

query
sites
6oi9A

M

M

F

L

E

D

K

K

V

I

L

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

H

L

R

R

A

A

C

C

R

K

E

E

M

L

G

G

I

I

R

K

T

T

V

V

A

A

V

V

H

H

S

S

T

S

A

A

D

D

N

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

A

T

V

V

C

C

I

I

G

G

P

P

P

A

S

P

A

S

R

V

D

K

S

S

Y

Y

L

L

N

N

K

I

A

P

A

A

I

I

L

I

S

S

A

A

S

E

I

I

T

T

G

G

A

A

D

V

A

A

I

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

Q

E

M

Q

V

V

E

E

E

R

H

S

G

G

F

F

V

I

F

F

I

I

G

G

P

P

T

K

P

A

D

E

H

T

I

I

R

R

M

L

M

M

G

G

D

D

K

K

I

V

T

S

A

A

K

I

Q

A

A

A

V

M

K

K

D

K

A

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

S

P

V

L

-

G

D

D

T

D

E

M

E

D

T

K

A

N

L

R

E

A

V

I

A

A

A

K

S

R

I

I

G

G

Y

Y

P

P

V

V

L

I

I

I

K
|
K

A

A

T

S

A

G

G

G

K

R

G

G

M
|
M

K

R

V

V

A

V

R

R

N

G

A

D

E

A

E

E

L

L

V

A

E

Q

S

S

W

I

K

S

L

M

A

T

R

R

N

A

E

E

A

A

K

K

A

A

F

F

G

S

N

N

A

D

D

M

V

V

Y

Y

M

M

E
|
E

K

K

Y
|
Y

L
|
L

G

E

K

N

P

P

R

R

H
|
H

I

V

E

E

M

I

Q

Q

I

V

L

L

A

A

D

D

N

G

Y

Q

G

G

A

N

V

A

V

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q
|
Q

R

R

K

R

H
|
H

Q

Q

K

K

V

V

L

V

E

E

A

A

P

P

S

A

P

P

A

G

L

I

N

T

A

P

D

E

Q

L

R

R

A

R

R

Y

I

I

G

G

K

E

I

R

A

C

C

A

D

K

A

A

I

C

A

V

K

D

L

I

G

G

Y

Y

R

R

N

G

A

A

G

G

T

T

I

F

E
|
E

F

F

L
|
L

Y

F

E

E

N

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R

R

L

I

Q

Q

V

V

E
|
E

H

H

P

P

I

V

T

T

E

E

A

M

I

I

T

T

G

G

I

V

D

D

L

L

V

I

R

K

E

E

Q

Q

I

L

R

R

I

I

A

A

G

G

A

Q

P

P

L

L

G

S

Y

I

T

K

Q

Q

A

E

D

E

V

V

R

H

F

V

A

R

G

G

H

H

A

A

L

V

E

E

C

C

R
|
R

V

I

N

N

A

A

E

E

D

D

P

P

V

N

T

T

F

F

T

L

P

P

C

S

P

P

G

G

R

K

I

I

E

T

G

R

Y

F

H

H

A

A

P

P

G

G

L

F

G

G

V

V

R

R

V

W

D

E

S

S

G

H

L

I

Y

Y

A

A

G

G

Y

Y

R

T

I

V

P

P

H

Y

Y

Y

D

D

S

S

M

M

I

I

A

G

K

K

L

L

I

I

V

C

F

Y

G

G

N

E

T

N

R

R

N

D

E

V

A

A

L

I

M

A

R

R

L

M

K

K

R

N

A

A

L

L

G

Q

E

E

Y

L

V

I

I

I

E

D

G

G

V

I

K

K

T

T

T

N

L

V

P

D

L

L

H

Q

N

I

R

R

L

I

V

M

Q

N

D

D

A

E

D

N

F

F

V

Q

N

H

G

G

D

G

Y

T

D

N

I
|
I

H

H

W

Y

L

L

E

E

K

K

active site: E276 (= E275), E288 (= E287), N290 (= N289), E296 (= E295), R338 (= R337)
binding 7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine: K159 (= K158), M169 (= M168), E201 (= E200), Y203 (= Y202), L204 (= L203), H209 (= H208), Q233 (= Q232), H236 (= H235), E276 (= E275), L278 (= L277), E288 (= E287), I437 (= I436)

2w71A Crystal structure of biotin carboxylase from e. Coli in complex with the imidazole-pyrimidine inhibitor (see paper)
60% identity, 99% coverage: 1:441/447 of query aligns to 1:442/446 of 2w71A

query
sites
2w71A

M

M

F

L

E

D

K

K

V

I

L

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

H

L

R

R

A

A

C

C

R

K

E

E

M

L

G

G

I

I

R

K

T

T

V

V

A

A

V

V

H

H

S

S

T

S

A

A

D

D

N

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

A

T

V

V

C

C

I

I

G

G

P

P

P

A

S

P

A

S

R

V

D

K

S

S

Y

Y

L

L

N

N

K

I

A

P

A

A

I

I

L

I

S

S

A

A

S

E

I

I

T

T

G

G

A

A

D

V

A

A

I

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

Q

E

M

Q

V

V

E

E

E

R

H

S

G

G

F

F

V

I

F

F

I

I

G

G

P

P

T

K

P

A

D

E

H

T

I

I

R

R

M

L

M

M

G

G

D

D

K
|
K

I

V

T

S

A

A

K

I

Q

A

A

A

V

M

K

K

D

K

A

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

S

P

V

L

-

G

D

D

T

D

E

M

E

D

T

K

A

N

L

R

E

A

V

I

A

A

A

K

S

R

I

I

G

G

Y

Y

P

P

V

V

L

I

I

I

K
|
K

A

A

T

S

A

G

G

G

K

R

G

G

M

M

K

R

V

V

A

V

R

R

N

G

A

D

E

A

E

E

L

L

V

A

E

Q

S

S

W

I

K

S

L

M

A

T

R

R

N

A

E

E

A

A

K

K

A

A

F

F

G

S

N

N

A
x
D

D

M

V

V

Y

Y

M

M

E

E

K

K

Y
|
Y

L
|
L

G

E

K

N

P

P

R

R

H
|
H

I

V

E

E

M

I

Q

Q

I

V

L

L

A

A

D

D

N

G

Y

Q

G

G

A

N

V

A

V

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q
|
Q

R

R

K
x
R

H
|
H

Q

Q

K

K

V

V

L

V

E

E

A

A

P

P

S

A

P

P

A

G

L

I

N

T

A

P

D

E

Q

L

R

R

A

R

R

Y

I

I

G

G

K

E

I

R

A

C

C

A

D

K

A

A

I

C

A

V

K

D

L

I

G

G

Y

Y

R

R

N

G

A

A

G

G

T
|
T

I

F

E
|
E

F

F

L
|
L

Y

F

E

E

N

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

L

I

Q

Q

V

V

E
|
E

H

H

P

P

I

V

T

T

E

E

A

M

I

I

T

T

G

G

I

V

D

D

L

L

V

I

R

K

E

E

Q

Q

I

L

R

R

I

I

A

A

G

G

A

Q

P

P

L

L

G

S

Y

I

T

K

Q

Q

A

E

D

E

V

V

R

H

F

V

A

R

G

G

H

H

A

A

L

V

E

E

C

C

R
|
R

V

I

N

N

A

A

E

E

D

D

P

P

V

N

T

T

F

F

T

L

P

P

C

S

P

P

G

G

R

K

I

I

E

T

G

R

Y

F

H

H

A

A

P

P

G

G

L

F

G

G

V

V

R

R

V

W

D

E

S

S

G

H

L

I

Y

Y

A

A

G

G

Y

Y

R

T

I

V

P

P

H

Y

Y

Y

D

D

S

S

M

M

I

I

A

G

K

K

L

L

I

I

V

C

F

Y

G

G

N

E

T

N

R

R

N

D

E

V

A

A

L

I

M

A

R

R

L

M

K

K

R

N

A

A

L

L

G

Q

E

E

Y

L

V

I

I

I

E

D

G

G

V

I

K

K

T

T

T

N

L

V

P

D

L

L

H

Q

N

I

R

R

L

I

V

M

Q

N

D

D

A

E

D

N

F

F

V

Q

N

H

G

G

D

G

Y

T

D

N

I
|
I

H

H

W

Y

L

L

E

E

K

K

active site: K116 (= K116), K159 (= K158), D196 (≠ A195), H209 (= H208), R235 (≠ K234), T274 (= T273), E276 (= E275), E288 (= E287), N290 (= N289), R292 (= R291), E296 (= E295), R338 (= R337)
binding 4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine: K159 (= K158), Y203 (= Y202), L204 (= L203), H209 (= H208), Q233 (= Q232), H236 (= H235), L278 (= L277), I437 (= I436)

2w70A Crystal structure of biotin carboxylase from e. Coli in complex with the amino-thiazole-pyrimidine fragment (see paper)
60% identity, 99% coverage: 1:441/447 of query aligns to 1:442/446 of 2w70A

query
sites
2w70A

M

M

F

L

E

D

K

K

V

I

L

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

H

L

R

R

A

A

C

C

R

K

E

E

M

L

G

G

I

I

R

K

T

T

V

V

A

A

V

V

H

H

S

S

T

S

A

A

D

D

N

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

A

T

V

V

C

C

I

I

G

G

P

P

P

A

S

P

A

S

R

V

D

K

S

S

Y

Y

L

L

N

N

K

I

A

P

A

A

I

I

L

I

S

S

A

A

S

E

I

I

T

T

G

G

A

A

D

V

A

A

I

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

Q

E

M

Q

V

V

E

E

E

R

H

S

G

G

F

F

V

I

F

F

I

I

G

G

P

P

T

K

P

A

D

E

H

T

I

I

R

R

M

L

M

M

G

G

D

D

K
|
K

I

V

T

S

A

A

K

I

Q

A

A

A

V

M

K

K

D

K

A

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

S

P

V

L

-

G

D

D

T

D

E

M

E

D

T

K

A

N

L

R

E

A

V

I

A

A

A

K

S

R

I

I

G

G

Y

Y

P

P

V

V

L
x
I

I

I

K
|
K

A

A

T

S

A

G

G

G

G
|
G

K

R

G

G

M
|
M

K

R

V

V

A

V

R

R

N

G

A

D

E

A

E

E

L

L

V

A

E

Q

S

S

W

I

K

S

L

M

A

T

R

R

N

A

E

E

A

A

K

K

A

A

F

F

G

S

N

N

A
x
D

D

M

V

V

Y

Y

M

M

E
|
E

K

K

Y
|
Y

L
|
L

G

E

K

N

P

P

R

R

H
|
H

I

V

E

E

M

I

Q

Q

I

V

L

L

A

A

D

D

N

G

Y

Q

G

G

A

N

V

A

V

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q

Q

R

R

K
x
R

H

H

Q

Q

K

K

V

V

L

V

E

E

A

A

P

P

S

A

P

P

A

G

L

I

N

T

A

P

D

E

Q

L

R

R

A

R

R

Y

I

I

G

G

K

E

I

R

A

C

C

A

D

K

A

A

I

C

A

V

K

D

L

I

G

G

Y

Y

R

R

N

G

A

A

G

G

T
|
T

I

F

E
|
E

F

F

L
|
L

Y

F

E

E

N

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

L

I

Q

Q

V

V

E
|
E

H

H

P

P

I

V

T

T

E

E

A

M

I

I

T

T

G

G

I

V

D

D

L

L

V

I

R

K

E

E

Q

Q

I

L

R

R

I

I

A

A

G

G

A

Q

P

P

L

L

G

S

Y

I

T

K

Q

Q

A

E

D

E

V

V

R

H

F

V

A

R

G

G

H

H

A

A

L

V

E

E

C

C

R
|
R

V

I

N

N

A

A

E

E

D

D

P

P

V

N

T

T

F

F

T

L

P

P

C

S

P

P

G

G

R

K

I

I

E

T

G

R

Y

F

H

H

A

A

P

P

G

G

L

F

G

G

V

V

R

R

V

W

D

E

S

S

G

H

L

I

Y

Y

A

A

G

G

Y

Y

R

T

I

V

P

P

H

Y

Y

Y

D

D

S

S

M

M

I

I

A

G

K

K

L

L

I

I

V

C

F

Y

G

G

N

E

T

N

R

R

N

D

E

V

A

A

L

I

M

A

R

R

L

M

K

K

R

N

A

A

L

L

G

Q

E

E

Y

L

V

I

I

I

E

D

G

G

V

I

K

K

T

T

T

N

L

V

P

D

L

L

H

Q

N

I

R

R

L

I

V

M

Q

N

D

D

A

E

D

N

F

F

V

Q

N

H

G

G

D

G

Y

T

D

N

I

I

H

H

W

Y

L

L

E

E

K

K

active site: K116 (= K116), K159 (= K158), D196 (≠ A195), H209 (= H208), R235 (≠ K234), T274 (= T273), E276 (= E275), E288 (= E287), N290 (= N289), R292 (= R291), E296 (= E295), R338 (= R337)
binding 4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine: I157 (≠ L156), K159 (= K158), G166 (= G165), M169 (= M168), E201 (= E200), Y203 (= Y202), L204 (= L203), L278 (= L277)

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)
60% identity, 99% coverage: 1:441/447 of query aligns to 1:442/446 of 2w6zA

query
sites
2w6zA

M

M

F

L

E

D

K

K

V

I

L

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

H

L

R

R

A

A

C

C

R

K

E

E

M

L

G

G

I

I

R

K

T

T

V

V

A

A

V

V

H

H

S

S

T

S

A

A

D

D

N

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

A

T

V

V

C

C

I

I

G

G

P

P

P

A

S

P

A

S

R

V

D

K

S

S

Y

Y

L

L

N

N

K

I

A

P

A

A

I

I

L

I

S

S

A

A

S

E

I

I

T

T

G

G

A

A

D

V

A

A

I

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

Q

E

M

Q

V

V

E

E

E

R

H

S

G

G

F

F

V

I

F

F

I

I

G

G

P

P

T

K

P

A

D

E

H

T

I

I

R

R

M

L

M

M

G

G

D

D

K
|
K

I

V

T

S

A

A

K

I

Q

A

A

A

V

M

K

K

D

K

A

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

S

P

V

L

-

G

D

D

T

D

E

M

E

D

T

K

A

N

L

R

E

A

V

I

A

A

A

K

S

R

I

I

G

G

Y

Y

P

P

V

V

L

I

I

I

K
|
K

A

A

T

S

A

G

G

G

K

R

G

G

M

M

K

R

V

V

A

V

R

R

N

G

A

D

E

A

E

E

L

L

V

A

E

Q

S

S

W

I

K

S

L

M

A

T

R

R

N

A

E

E

A

A

K

K

A

A

F

F

G

S

N

N

A
x
D

D

M

V

V

Y

Y

M

M

E

E

K

K

Y
|
Y

L
|
L

G

E

K

N

P

P

R

R

H
|
H

I

V

E

E

M

I

Q

Q

I

V

L

L

A

A

D

D

N

G

Y

Q

G

G

A

N

V

A

V

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q

Q

R

R

K
x
R

H

H

Q

Q

K

K

V

V

L

V

E

E

A

A

P

P

S

A

P

P

A

G

L

I

N

T

A

P

D

E

Q

L

R

R

A

R

R

Y

I

I

G

G

K

E

I

R

A

C

C

A

D

K

A

A

I

C

A

V

K

D

L

I

G

G

Y

Y

R

R

N

G

A

A

G

G

T
|
T

I

F

E
|
E

F

F

L
|
L

Y

F

E

E

N

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

L

I

Q

Q

V

V

E
|
E

H

H

P

P

I

V

T

T

E

E

A

M

I

I

T

T

G

G

I

V

D

D

L

L

V

I

R

K

E

E

Q

Q

I

L

R

R

I

I

A

A

G

G

A

Q

P

P

L

L

G

S

Y

I

T

K

Q

Q

A

E

D

E

V

V

R

H

F

V

A

R

G

G

H

H

A

A

L

V

E

E

C

C

R
|
R

V

I

N

N

A

A

E

E

D

D

P

P

V

N

T

T

F

F

T

L

P

P

C

S

P

P

G

G

R

K

I

I

E

T

G

R

Y

F

H

H

A

A

P

P

G

G

L

F

G

G

V

V

R

R

V

W

D

E

S

S

G

H

L

I

Y

Y

A

A

G

G

Y

Y

R

T

I

V

P

P

H

Y

Y

Y

D

D

S

S

M

M

I

I

A

G

K

K

L

L

I

I

V

C

F

Y

G

G

N

E

T

N

R

R

N

D

E

V

A

A

L

I

M

A

R

R

L

M

K

K

R

N

A

A

L

L

G

Q

E

E

Y

L

V

I

I

I

E

D

G

G

V

I

K

K

T

T

T

N

L

V

P

D

L

L

H

Q

N

I

R

R

L

I

V

M

Q

N

D

D

A

E

D

N

F

F

V

Q

N

H

G

G

D

G

Y

T

D

N

I

I

H

H

W

Y

L

L

E

E

K

K

active site: K116 (= K116), K159 (= K158), D196 (≠ A195), H209 (= H208), R235 (≠ K234), T274 (= T273), E276 (= E275), E288 (= E287), N290 (= N289), R292 (= R291), E296 (= E295), R338 (= R337)
binding 3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine: K159 (= K158), Y203 (= Y202), L204 (= L203), L278 (= L277)

2w6qA Crystal structure of biotin carboxylase from e. Coli in complex with the triazine-2,4-diamine fragment (see paper)
60% identity, 99% coverage: 1:441/447 of query aligns to 1:442/446 of 2w6qA

query
sites
2w6qA

M

M

F

L

E

D

K

K

V

I

L

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

H

L

R

R

A

A

C

C

R

K

E

E

M

L

G

G

I

I

R

K

T

T

V

V

A

A

V

V

H

H

S

S

T

S

A

A

D

D

N

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

A

T

V

V

C

C

I

I

G

G

P

P

P

A

S

P

A

S

R

V

D

K

S

S

Y

Y

L

L

N

N

K

I

A

P

A

A

I

I

L

I

S

S

A

A

S

E

I

I

T

T

G

G

A

A

D

V

A

A

I

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

Q

E

M

Q

V

V

E

E

E

R

H

S

G

G

F

F

V

I

F

F

I

I

G

G

P

P

T

K

P

A

D

E

H

T

I

I

R

R

M

L

M

M

G

G

D

D

K
|
K

I

V

T

S

A

A

K

I

Q

A

A

A

V

M

K

K

D

K

A

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

S

P

V

L

-

G

D

D

T

D

E

M

E

D

T

K

A

N

L

R

E

A

V

I

A

A

A

K

S

R

I

I

G

G

Y

Y

P

P

V

V

L
x
I

I

I

K
|
K

A

A

T

S

A

G

G

G

K

R

G

G

M

M

K

R

V

V

A

V

R

R

N

G

A

D

E

A

E

E

L

L

V

A

E

Q

S

S

W

I

K

S

L

M

A

T

R

R

N

A

E

E

A

A

K

K

A

A

F

F

G

S

N

N

A
x
D

D

M

V

V

Y

Y

M

M

E
|
E

K
|
K

Y
|
Y

L
|
L

G

E

K

N

P

P

R

R

H
|
H

I

V

E

E

M

I

Q

Q

I

V

L

L

A

A

D

D

N

G

Y

Q

G

G

A

N

V

A

V

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q

Q

R

R

K
x
R

H
|
H

Q

Q

K

K

V

V

L

V

E

E

A

A

P

P

S

A

P

P

A

G

L

I

N

T

A

P

D

E

Q

L

R

R

A

R

R

Y

I

I

G

G

K

E

I

R

A

C

C

A

D

K

A

A

I

C

A

V

K

D

L

I

G

G

Y

Y

R

R

N

G

A

A

G

G

T
|
T

I

F

E
|
E

F

F

L
|
L

Y

F

E

E

N

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

L

I

Q

Q

V

V

E
|
E

H

H

P

P

I

V

T

T

E

E

A

M

I

I

T

T

G

G

I

V

D

D

L

L

V

I

R

K

E

E

Q

Q

I

L

R

R

I

I

A

A

G

G

A

Q

P

P

L

L

G

S

Y

I

T

K

Q

Q

A

E

D

E

V

V

R

H

F

V

A

R

G

G

H

H

A

A

L

V

E

E

C

C

R
|
R

V

I

N

N

A

A

E

E

D

D

P

P

V

N

T

T

F

F

T

L

P

P

C

S

P

P

G

G

R

K

I

I

E

T

G

R

Y

F

H

H

A

A

P

P

G

G

L

F

G

G

V

V

R

R

V

W

D

E

S

S

G

H

L

I

Y

Y

A

A

G

G

Y

Y

R

T

I

V

P

P

H

Y

Y

Y

D

D

S

S

M

M

I

I

A

G

K

K

L

L

I

I

V

C

F

Y

G

G

N

E

T

N

R

R

N

D

E

V

A

A

L

I

M

A

R

R

L

M

K

K

R

N

A

A

L

L

G

Q

E

E

Y

L

V

I

I

I

E

D

G

G

V

I

K

K

T

T

T

N

L

V

P

D

L

L

H

Q

N

I

R

R

L

I

V

M

Q

N

D

D

A

E

D

N

F

F

V

Q

N

H

G

G

D

G

Y

T

D

N

I

I

H

H

W

Y

L

L

E

E

K

K

active site: K116 (= K116), K159 (= K158), D196 (≠ A195), H209 (= H208), R235 (≠ K234), T274 (= T273), E276 (= E275), E288 (= E287), N290 (= N289), R292 (= R291), E296 (= E295), R338 (= R337)
binding 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine: I157 (≠ L156), K159 (= K158), E201 (= E200), K202 (= K201), Y203 (= Y202), L204 (= L203), H236 (= H235), L278 (= L277)

2w6pA Crystal structure of biotin carboxylase from e. Coli in complex with 5-methyl-6-phenyl-quinazoline-2,4-diamine (see paper)
60% identity, 99% coverage: 1:441/447 of query aligns to 1:442/446 of 2w6pA

query
sites
2w6pA

M

M

F

L

E

D

K

K

V

I

L

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

H

L

R

R

A

A

C

C

R

K

E

E

M

L

G

G

I

I

R

K

T

T

V

V

A

A

V

V

H

H

S

S

T

S

A

A

D

D

N

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

A

T

V

V

C

C

I

I

G

G

P

P

P

A

S

P

A

S

R

V

D

K

S

S

Y

Y

L

L

N

N

K

I

A

P

A

A

I

I

L

I

S

S

A

A

S

E

I

I

T

T

G

G

A

A

D

V

A

A

I

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

Q

E

M

Q

V

V

E

E

E

R

H

S

G

G

F

F

V

I

F

F

I

I

G

G

P

P

T

K

P

A

D

E

H

T

I

I

R

R

M

L

M

M

G

G

D

D

K
|
K

I

V

T

S

A

A

K

I

Q

A

A

A

V

M

K

K

D

K

A

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

S

P

V

L

-

G

D

D

T

D

E

M

E

D

T

K

A

N

L

R

E

A

V

I

A

A

A

K

S

R

I

I

G

G

Y

Y

P

P

V

V

L

I

I

I

K
|
K

A

A

T

S

A

G

G

G

K

R

G

G

M

M

K

R

V

V

A

V

R

R

N

G

A

D

E

A

E

E

L

L

V

A

E

Q

S

S

W

I

K

S

L

M

A

T

R

R

N

A

E

E

A

A

K

K

A

A

F

F

G

S

N

N

A
x
D

D

M

V

V

Y

Y

M

M

E

E

K

K

Y
|
Y

L
|
L

G

E

K

N

P

P

R

R

H
|
H

I

V

E

E

M

I

Q

Q

I

V

L

L

A

A

D

D

N

G

Y

Q

G

G

A

N

V

A

V

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q
|
Q

R

R

K
x
R

H
|
H

Q

Q

K

K

V

V

L

V

E

E

A

A

P

P

S

A

P

P

A

G

L

I

N

T

A

P

D

E

Q

L

R

R

A

R

R

Y

I

I

G

G

K

E

I

R

A

C

C

A

D

K

A

A

I

C

A

V

K

D

L

I

G

G

Y

Y

R

R

N

G

A

A

G

G

T
|
T

I

F

E
|
E

F

F

L
|
L

Y

F

E

E

N

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

L

I

Q

Q

V

V

E
|
E

H

H

P

P

I

V

T

T

E

E

A

M

I

I

T

T

G

G

I

V

D

D

L

L

V

I

R

K

E

E

Q

Q

I

L

R

R

I

I

A

A

G

G

A

Q

P

P

L

L

G

S

Y

I

T

K

Q

Q

A

E

D

E

V

V

R

H

F

V

A

R

G

G

H

H

A

A

L

V

E

E

C

C

R
|
R

V

I

N

N

A

A

E

E

D

D

P

P

V

N

T

T

F

F

T

L

P

P

C

S

P

P

G

G

R

K

I

I

E

T

G

R

Y

F

H

H

A

A

P

P

G

G

L

F

G

G

V

V

R

R

V

W

D

E

S

S

G

H

L

I

Y

Y

A

A

G

G

Y

Y

R

T

I

V

P

P

H

Y

Y

Y

D

D

S

S

M

M

I

I

A

G

K

K

L

L

I

I

V

C

F

Y

G

G

N

E

T

N

R

R

N

D

E

V

A

A

L

I

M

A

R

R

L

M

K

K

R

N

A

A

L

L

G

Q

E

E

Y

L

V

I

I

I

E

D

G

G

V

I

K

K

T

T

T

N

L

V

P

D

L

L

H

Q

N

I

R

R

L

I

V

M

Q

N

D

D

A

E

D

N

F

F

V

Q

N

H

G

G

D

G

Y

T

D

N

I
|
I

H

H

W

Y

L

L

E

E

K

K

active site: K116 (= K116), K159 (= K158), D196 (≠ A195), H209 (= H208), R235 (≠ K234), T274 (= T273), E276 (= E275), E288 (= E287), N290 (= N289), R292 (= R291), E296 (= E295), R338 (= R337)
binding 5-methyl-6-phenylquinazoline-2,4-diamine: K159 (= K158), Y203 (= Y202), L204 (= L203), Q233 (= Q232), H236 (= H235), L278 (= L277), I437 (= I436)

2w6mA Crystal structure of biotin carboxylase from e. Coli in complex with amino-oxazole fragment series (see paper)
60% identity, 99% coverage: 1:441/447 of query aligns to 1:442/446 of 2w6mA

query
sites
2w6mA

M

M

F

L

E

D

K

K

V

I

L

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

H

L

R

R

A

A

C

C

R

K

E

E

M

L

G

G

I

I

R

K

T

T

V

V

A

A

V

V

H

H

S

S

T

S

A

A

D

D

N

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

A

T

V

V

C

C

I

I

G

G

P

P

P

A

S

P

A

S

R

V

D

K

S

S

Y

Y

L

L

N

N

K

I

A

P

A

A

I

I

L

I

S

S

A

A

S

E

I

I

T

T

G

G

A

A

D

V

A

A

I

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

Q

E

M

Q

V

V

E

E

E

R

H

S

G

G

F

F

V

I

F

F

I

I

G

G

P

P

T

K

P

A

D

E

H

T

I

I

R

R

M

L

M

M

G

G

D

D

K
|
K

I

V

T

S

A

A

K

I

Q

A

A

A

V

M

K

K

D

K

A

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

S

P

V

L

-

G

D

D

T

D

E

M

E

D

T

K

A

N

L

R

E

A

V

I

A

A

A

K

S

R

I

I

G

G

Y

Y

P

P

V

V

L
x
I

I

I

K
|
K

A

A

T

S

A

G

G

G

K

R

G

G

M
|
M

K

R

V

V

A

V

R

R

N

G

A

D

E

A

E

E

L

L

V

A

E

Q

S

S

W

I

K

S

L

M

A

T

R

R

N

A

E

E

A

A

K

K

A

A

F

F

G

S

N

N

A
x
D

D

M

V

V

Y

Y

M

M

E
|
E

K
|
K

Y
|
Y

L

L

G

E

K

N

P

P

R

R

H
|
H

I

V

E

E

M

I

Q

Q

I

V

L

L

A

A

D

D

N

G

Y

Q

G

G

A

N

V

A

V

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q

Q

R

R

K
x
R

H
|
H

Q

Q

K

K

V

V

L

V

E

E

A

A

P

P

S

A

P

P

A

G

L

I

N

T

A

P

D

E

Q

L

R

R

A

R

R

Y

I

I

G

G

K

E

I

R

A

C

C

A

D

K

A

A

I

C

A

V

K

D

L

I

G

G

Y

Y

R

R

N

G

A

A

G

G

T
|
T

I

F

E
|
E

F

F

L
|
L

Y

F

E

E

N

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

L

I

Q

Q

V

V

E
|
E

H

H

P

P

I

V

T

T

E

E

A

M

I

I

T

T

G

G

I

V

D

D

L

L

V

I

R

K

E

E

Q

Q

I

L

R

R

I

I

A

A

G

G

A

Q

P

P

L

L

G

S

Y

I

T

K

Q

Q

A

E

D

E

V

V

R

H

F

V

A

R

G

G

H

H

A

A

L

V

E

E

C

C

R
|
R

V

I

N

N

A

A

E

E

D

D

P

P

V

N

T

T

F

F

T

L

P

P

C

S

P

P

G

G

R

K

I

I

E

T

G

R

Y

F

H

H

A

A

P

P

G

G

L

F

G

G

V

V

R

R

V

W

D

E

S

S

G

H

L

I

Y

Y

A

A

G

G

Y

Y

R

T

I

V

P

P

H

Y

Y

Y

D

D

S

S

M

M

I

I

A

G

K

K

L

L

I

I

V

C

F

Y

G

G

N

E

T

N

R

R

N

D

E

V

A

A

L

I

M

A

R

R

L

M

K

K

R

N

A

A

L

L

G

Q

E

E

Y

L

V

I

I

I

E

D

G

G

V

I

K

K

T

T

T

N

L

V

P

D

L

L

H

Q

N

I

R

R

L

I

V

M

Q

N

D

D

A

E

D

N

F

F

V

Q

N

H

G

G

D

G

Y

T

D

N

I
|
I

H

H

W

Y

L

L

E

E

K

K

active site: K116 (= K116), K159 (= K158), D196 (≠ A195), H209 (= H208), R235 (≠ K234), T274 (= T273), E276 (= E275), E288 (= E287), N290 (= N289), R292 (= R291), E296 (= E295), R338 (= R337)
binding (2-amino-1,3-oxazol-5-yl)-(3-bromophenyl)methanone: I157 (≠ L156), K159 (= K158), M169 (= M168), E201 (= E200), K202 (= K201), Y203 (= Y202), H236 (= H235), L278 (= L277), I437 (= I436)

2v5aA Crystal structure of biotin carboxylase from e.Coli in complex with potent inhibitor 3 (see paper)
60% identity, 99% coverage: 1:441/447 of query aligns to 1:442/446 of 2v5aA

query
sites
2v5aA

M

M

F

L

E

D

K

K

V

I

L

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

H

L

R

R

A

A

C

C

R

K

E

E

M

L

G

G

I

I

R

K

T

T

V

V

A

A

V

V

H

H

S

S

T

S

A

A

D

D

N

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

A

T

V

V

C

C

I

I

G

G

P

P

P

A

S

P

A

S

R

V

D

K

S

S

Y

Y

L

L

N

N

K

I

A

P

A

A

I

I

L

I

S

S

A

A

S

E

I

I

T

T

G

G

A

A

D

V

A

A

I

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

Q

E

M

Q

V

V

E

E

E

R

H

S

G

G

F

F

V

I

F

F

I

I

G

G

P

P

T

K

P

A

D

E

H

T

I

I

R

R

M

L

M

M

G

G

D

D

K
|
K

I

V

T

S

A

A

K

I

Q

A

A

A

V

M

K

K

D

K

A

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

S

P

V

L

-

G

D

D

T

D

E

M

E

D

T

K

A

N

L

R

E

A

V

I

A

A

A

K

S

R

I

I

G

G

Y

Y

P

P

V

V

L
x
I

I

I

K
|
K

A

A

T

S

A

G

G

G

K

R

G

G

M
|
M

K

R

V

V

A

V

R

R

N

G

A

D

E

A

E

E

L

L

V

A

E

Q

S

S

W

I

K

S

L

M

A

T

R

R

N

A

E

E

A

A

K

K

A

A

F

F

G

S

N

N

A
x
D

D

M

V

V

Y

Y

M

M

E
|
E

K

K

Y
|
Y

L
|
L

G

E

K

N

P

P

R

R

H
|
H

I

V

E

E

M

I

Q

Q

I

V

L

L

A

A

D

D

N

G

Y

Q

G

G

A

N

V

A

V

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q
|
Q

R

R

K
x
R

H
|
H

Q

Q

K

K

V

V

L

V

E

E

A

A

P

P

S

A

P

P

A

G

L

I

N

T

A

P

D

E

Q

L

R

R

A

R

R

Y

I

I

G

G

K

E

I

R

A

C

C

A

D

K

A

A

I

C

A

V

K

D

L

I

G

G

Y

Y

R

R

N

G

A

A

G

G

T
|
T

I

F

E
|
E

F

F

L
|
L

Y

F

E

E

N

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

L

I

Q

Q

V

V

E
|
E

H

H

P

P

I

V

T

T

E

E

A

M

I

I

T

T

G

G

I

V

D

D

L

L

V

I

R

K

E

E

Q

Q

I

L

R

R

I

I

A

A

G

G

A

Q

P

P

L

L

G

S

Y

I

T

K

Q

Q

A

E

D

E

V

V

R

H

F

V

A

R

G

G

H

H

A

A

L

V

E

E

C

C

R
|
R

V

I

N

N

A

A

E

E

D

D

P

P

V

N

T

T

F

F

T

L

P

P

C

S

P

P

G

G

R

K

I

I

E

T

G

R

Y

F

H

H

A

A

P

P

G

G

L

F

G

G

V

V

R

R

V

W

D

E

S

S

G

H

L

I

Y

Y

A

A

G

G

Y

Y

R

T

I

V

P

P

H

Y

Y

Y

D

D

S

S

M

M

I

I

A

G

K

K

L

L

I

I

V

C

F

Y

G

G

N

E

T

N

R

R

N

D

E

V

A

A

L

I

M

A

R

R

L

M

K

K

R

N

A

A

L

L

G

Q

E

E

Y

L

V

I

I

I

E

D

G

G

V

I

K

K

T

T

T

N

L

V

P

D

L

L

H

Q

N

I

R

R

L

I

V

M

Q

N

D

D

A

E

D

N

F

F

V

Q

N

H

G

G

D

G

Y

T

D

N

I
|
I

H

H

W

Y

L

L

E

E

K

K

active site: K116 (= K116), K159 (= K158), D196 (≠ A195), H209 (= H208), R235 (≠ K234), T274 (= T273), E276 (= E275), E288 (= E287), N290 (= N289), R292 (= R291), E296 (= E295), R338 (= R337)
binding 7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine: I157 (≠ L156), K159 (= K158), M169 (= M168), E201 (= E200), Y203 (= Y202), L204 (= L203), Q233 (= Q232), H236 (= H235), L278 (= L277), I437 (= I436)

Query Sequence

>WP_043746657.1 AMB_RS13620 acetyl-CoA carboxylase biotin carboxylase subunit
MFEKVLIANRGEIALRIHRACREMGIRTVAVHSTADNDAMHVRLADEAVCIGPPSARDSY
LNKAAILSAASITGADAIHPGYGFLSENADFAQMVEEHGFVFIGPTPDHIRMMGDKITAK
QAVKDAGIPVVPGSDGSVDTEETALEVAASIGYPVLIKATAGGGGKGMKVARNAEELVES
WKLARNEAKAAFGNADVYMEKYLGKPRHIEMQILADNYGAVVHLGERDCSLQRKHQKVLE
EAPSPALNADQRARIGKIACDAIAKLGYRNAGTIEFLYENGEFYFIEMNTRLQVEHPITE
AITGIDLVREQIRIAAGAPLGYTQADVRFAGHALECRVNAEDPVTFTPCPGRIEGYHAPG
GLGVRVDSGLYAGYRIPPHYDSMIAKLIVFGNTRNEALMRLKRALGEYVIEGVKTTLPLH
NRLVQDADFVNGDYDIHWLEKFVAQHS

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