SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_068000975.1 NCBI__GCF_001623255.1:WP_068000975.1 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)
60% identity, 97% coverage: 1:443/455 of query aligns to 1:441/442 of 4mv4A

query
sites
4mv4A

M

M

F

L

S

E

K

K

I

V

L

V

I

I

A

A

N

N

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R

G

G

E

E

I

I

A

A

L

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I

I

L

L

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R

A

A

C

C

K

K

E

E

L

L

G

G

I

I

R

K

T

T

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V

A

A

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H

H

S

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T

T

A

A

D

D

E

R

D

D

A

L

M

K

H

H

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R

L

L

L

A

A

D

D

E

E

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I

C

C

I

I

G

G

P

P

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A

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A

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A

D

K

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S

Y

Y

L

L

N

N

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Q

A

I

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L

I

A

A

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A

C

A

E

E

I

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G

A

A

D

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

R

D

F

F

A

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E

E

I

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L

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E

E

A

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G

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F

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G

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E

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K

I

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A

A

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K

T

A

A

M

I

K

E

K

L

A

G

G

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C

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V

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P

G

G

S

S

D

D

G

G

G

P

I

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T

S

P

-

E

-

D

N

D

D

V

I

-

A

-

K

-

N

H

K

A

E

I

I

A

A

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I

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G

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Y

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K

A

A

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A

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G

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-

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M

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A

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A

A

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G

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D

A

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Y

Y

M

M

E
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E

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Y
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Y

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L

G

E

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H

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E

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I

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Q

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L

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A

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D

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H

G

G

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N

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Y

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H

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A

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A

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T

I

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L

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E

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N

G

G

E

E

F

F

Y

Y

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F

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E

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N

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R

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E

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E

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M

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T

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H

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Y

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V

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H

H

Y

Y

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D

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M

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A

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K

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L

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E

E

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C

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M

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M

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R

N

A

A

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L

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S

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E

F

T

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D

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G

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V

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P

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F

H

T

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E

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L

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L

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D

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E

D

N

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active site: K116 (= K116), K159 (= K158), D193 (= D195), H206 (= H208), R232 (= R234), 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)

2vr1A Crystal structure of biotin carboxylase from e. Coli in complex with atp analog, adpcf2p. (see paper)
62% identity, 97% coverage: 1:443/455 of query aligns to 1:442/444 of 2vr1A

query
sites
2vr1A

M

M

F

L

S

D

K

K

I

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

L

L

R

R

A

A

C

C

K

K

E

E

L

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

E

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

S

T

V

V

C

C

I

I

G

G

P

P

P

A

V

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A

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D

K

S

S

Y

Y

L

L

N

N

I

I

P

P

Q

A

I

I

L

I

A

S

A

A

C

A

E

E

I

I

T

T

G

G

A

A

D

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

R

N

F

F

A

A

E

E

I

Q

L

V

E

E

A

R

H

S

G

G

I

F

T

I

F

F

I

I

G

G

P

P

T

K

S

A

E

E

H

T

I

I

R

R

V

L

M

M

G

G

D

D

K
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K

I

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S

A

A

K

I

T

A

T

A

A

M

I

K

E

K

L

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

G

P

I

L

T

G

P

D

E

D

-

M

D

D

D

K

V

N

H

R

A

A

I

I

A

A

A

K

E

R

I

I

G

G

Y

Y

P

P

V

V

L

I

V

I

K
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K

A

A

A

S

A

-

G

-

G

G

G

G

G

G

R
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R

G

G

M
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M

K

R

V

V

A

V

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G

A

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E

A

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E

L

L

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A

L

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I

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M

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R

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A

E

E

S

A

K

K

A

A

A

A

F

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G

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D
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D

A

M

L

V

Y

Y

M

M

E

E

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Y
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Y

L
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L

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E

K

N

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H
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H

I

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E

E

V

I

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L

G

A

D

D

G

G

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Q

G

G

N

N

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A

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Y

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L

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A

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E

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R

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T

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A

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P

H

Y

Y

Y

D

D

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S

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M

I

I

G

G

K

K

L

L

I

I

V

C

H

Y

G

G

R

E

S

N

R

R

V

D

E

V

C

A

M

I

M

A

R

R

L

M

R

K

R

N

A

A

L

L

S

Q

E

E

F

L

V

I

V

I

D

D

G

G

I

I

N

K

T

T

T

N

V

V

P

D

L

L

F

Q

T

I

E

R

L

I

L

M

D

N

N

D

Q

E

D

N

I

F

A

Q

N

H

G

G

A

G

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I
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H

H

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Y

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L

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E

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K

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K

L

L

active site: K116 (= K116), K159 (= K158), D194 (= D195), H207 (= H208), R233 (= R234), T272 (= T273), E274 (= E275), E286 (= E287), N288 (= N289), R290 (= R291), E294 (= E295), R336 (= R337)
binding phosphodifluoromethylphosphonic acid-adenylate ester: K159 (= K158), R165 (= R166), M167 (= M168), Y201 (= Y202), L202 (= L203), E274 (= E275), L276 (= L277), E286 (= E287), N288 (= N289), I435 (= I436)

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)
60% identity, 97% coverage: 1:443/455 of query aligns to 1:439/440 of 6oi8A

query
sites
6oi8A

M

M

F

L

S

E

K

K

I

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

L

L

R

R

A

A

C

C

K

K

E

E

L

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

E

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

S

T

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I

C

C

I

I

G

G

P

P

P

A

V

P

A

S

R

A

D

K

S

S

Y

Y

L

L

N

N

I

I

P

P

Q

A

I

I

L

I

A

A

A

A

C

A

E

E

I

V

T

T

G

G

A

A

D

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

R

D

F

F

A

A

E

E

I

Q

L

V

E

E

A

R

H

S

G

G

I

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T

T

F

F

I

I

G

G

P

P

T

T

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A

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D

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V

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L

M

M

G

G

D

D

K
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K

I

V

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S

A

A

K

I

T

K

T

A

A

M

I

K

E

K

L

A

G

G

I

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P

V

C

V

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P

P

G

G

S

S

D

D

G

G

G

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I

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P

-

E

-

D

N

D

D

V

I

-

A

-

K

-

N

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K

A

E

I

I

A

A

A

K

E

R

I

I

G

G

Y

Y

P

P

V

I

L
x
I

V

I

K
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K

A

A

A

S

A

G

G

G

G

-

G

-

G

-

R

-

G

-

M
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M

K

R

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D

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A

L

L

D

E

L

E

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R

K

S

A

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E

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A

K

K

A

A

A

A

F

F

G

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N

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D

A

M

L

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

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H
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H

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E

E

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I

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L

L

G

A

D

D

G

T

Q

H

G

G

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E

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R

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I

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E

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L

Y

Y

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E

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N

G

G

E

E

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F

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Y

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E

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M

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R

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E

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E

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M

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A

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E

D

D

V

I

R

K

F

V

T

K

G

G

H

H

A

A

I

M

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

H

D

P

P

L

K

T

T

F

F

A

L

P

P

S

S

P

P

G

G

T

K

I

V

T

N

Y

H

Y

L

H

H

P

S

P

P

G

G

G

G

L

L

G

G

V

V

R

R

V

W

D

D

S

S

G

H

V

V

Y

Y

Q

G

G

G

Y

Y

K

T

V

V

P

P

P

P

H

H

Y

Y

D

D

S

S

L

M

I

I

G

A

K

K

L

L

I

I

V

T

H

Y

G

G

R

D

S

T

R

R

V

E

E

V

C

A

M

I

M

R

R

R

L

M

R

Q

R

N

A

A

L

L

S

S

E

E

F

T

V

I

V

I

D

D

G

G

I

I

N

K

T

T

T

N

V

I

P

P

L

L

F

H

T

E

E

L

L

I

L

L

D

E

N

D

Q

E

D

N

I

F

A

Q

N

K

G

G

A

G

Y

T

D

N

I
|
I

H

H

W

Y

L

L

E

E

K

K

F

K

L

L

active site: K116 (= K116), K159 (= K158), D191 (= D195), H204 (= H208), R230 (= R234), 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)
60% identity, 97% coverage: 1:443/455 of query aligns to 1:438/439 of 4mv3A

query
sites
4mv3A

M

M

F

L

S

E

K

K

I

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

L

L

R

R

A

A

C

C

K

K

E

E

L

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

E

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

S

T

V

I

C

C

I

I

G

G

P

P

P

A

V

P

A

S

R

A

D

K

S

S

Y

Y

L

L

N

N

I

I

P

P

Q

A

I

I

L

I

A

A

A

A

C

A

E

E

I

V

T

T

G

G

A

A

D

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

R

D

F

F

A

A

E

E

I

Q

L

V

E

E

A

R

H

S

G

G

I

F

T

T

F

F

I

I

G

G

P

P

T

T

S

A

E

D

H

V

I

I

R

R

V

L

M

M

G

G

D

D

K
|
K

I

V

Q

S

A

A

K

I

T

K

T

A

A

M

I

K

E

K

L

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

G

P

I

V

T

S

P

-

E

-

D

N

D

D

V

I

-

A

-

K

-

N

H

K

A

E

I

I

A

A

A

K

E

R

I

I

G

G

Y

Y

P

P

V

I

L

I

V

I

K
|
K

A

A

A

S

A

-

G

-

G

-

G

-

G

-

R

-

G

G

M
|
M

K

R

V

V

A

V

P

R

T

S

A

E

E

D

D

A

L

L

D

E

L

E

A

S

I

I

S

A

T

M

A

T

R

K

S

A

E

E

S

A

K

K

A

A

A

A

F

F

G

N

D

N

D
|
D

A

M

L

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

V

I

Q

Q

V

V

L

L

G

A

D

D

G

T

Q

H

G

G

N

N

A

A

I

V

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q

Q

R

R

R
|
R

H

H

Q

Q

K

K

V

V

F

V

E

E

E

E

C

A

P

P

S

A

P

P

A

G

L

I

N

T

E

E

E

E

Q

V

R

R

Q

R

N

D

I

I

G

G

E

S

I

R

C

C

A

A

V

N

A

A

M

C

R

V

K

E

L

I

K

G

Y

Y

R

R

G

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

V

V

T

T

E

E

M

M

V

I

T

T

G

G

I

V

D

D

L

L

V

V

I

K

E

E

Q

Q

I

L

R

R

I

I

A

A

A

A

G

G

A

L

N

P

L

I

S

S

I

F

N

K

Q

Q

E

E

D

D

V

I

R

K

F

V

T

K

G

G

H

H

A

A

I

M

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

H

D

P

P

L

K

T

T

F

F

A

L

P

P

S

S

P

P

G

G

T

K

I

V

T

N

Y

H

Y

L

H

H

P

S

P

P

G

G

G

G

L

L

G

G

V

V

R

R

V

W

D

D

S

S

G

H

V

V

Y

Y

Q

G

G

G

Y

Y

K

T

V

V

P

P

P

P

H

H

Y

Y

D

D

S

S

L

M

I

I

G

A

K

K

L

L

I

I

V

T

H

Y

G

G

R

D

S

T

R

R

V

E

E

V

C

A

M

I

M

R

R

R

L

M

R

Q

R

N

A

A

L

L

S

S

E

E

F

T

V

I

V

I

D

D

G

G

I

I

N

K

T

T

T

N

V

I

P

P

L

L

F

H

T

E

E

L

L

I

L

L

D

E

N

D

Q

E

D

N

I

F

A

Q

N

K

G

G

A

G

Y

T

D

N

I

I

H

H

W

Y

L

L

E

E

K

K

F

K

L

L

active site: K116 (= K116), K159 (= K158), D190 (= D195), H203 (= H208), R229 (= R234), 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)

2vqdA Crystal structure of biotin carboxylase from pseudomonas aeruginosa complexed with ampcp (see paper)
62% identity, 97% coverage: 1:443/455 of query aligns to 1:444/447 of 2vqdA

query
sites
2vqdA

M

M

F

L

S

E

K

K

I

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

L

L

R

R

A

A

C

C

K

K

E

E

L

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

E

R

D

E

A

L

M

M

H

H

V

L

R

S

L

L

A

A

D

D

E

E

S

S

V

V

C

C

I

I

G

G

P

P

P

A

V

P

A

A

R

T

D

Q

S

S

Y

Y

L

L

N

Q

I

I

P

P

Q

A

I

I

L

I

A

A

A

A

C

A

E

E

I

V

T

T

G

G

A

A

D

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

R

D

F

F

A

A

E

E

I

Q

L

I

E

E

A

R

H

S

G

G

I

F

T

T

F

F

I

V

G

G

P

P

T

T

S

A

E

E

H

V

I

I

R

R

V

L

M

M

G

G

D

D

K
|
K

I

V

Q

S

A

A

K

K

T

D

T

A

A

M

I

K

E

R

L

A

G

G

I

V

P

P

V

T

V

V

P

P

G

G

S

S

D

D

G

G

G

P

I

L

T

-

P

P

E

E

D

D

D

E

-

E

-

T

V

A

H

L

A

A

I

I

A

A

A

R

E

E

I

V

G

G

Y

Y

P

P

V

V

L
x
I

V

I

K
|
K

A

A

A

A

A

G

G

G

G
|
G

G

G

G
|
G

R

R

G

G

M

M

K

R

V

V

A

V

P

Y

T

D

A

E

E

S

D

E

L

L

D

I

L

K

A

S

I

A

S

K

T

L

A

T

R

R

S

T

E

E

S

A

K

G

A

A

A

A

F

F

G

G

D

N

D
x
P

A

M

L

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

V

V

Q

Q

V

V

L

L

G

S

D

D

G

G

Q

Q

G

G

N

N

A

A

I

I

H

H

L

L

G

G

E

D

R

R

D

D

C

C

S

S

L

L

Q
|
Q

R

R

R
|
R

H
|
H

Q

Q

K

K

V

V

F

I

E

E

E

E

C

A

P

P

S

A

P

P

A

G

L

I

N

D

E

E

E

K

Q

A

R

R

Q

Q

N

E

I

V

G

F

E

A

I

R

C

C

A

V

V

Q

A

A

M

C

R

I

K

E

L

I

K

G

Y

Y

R

R

G

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

V

V

T

S

E

E

M

M

V

V

T

T

G

G

I

V

D

D

L

I

V

V

I

K

E

E

Q

M

I

L

R

R

I

I

A

A

A

S

G

G

A

E

N

K

L

L

S

S

I

I

N

R

Q

Q

E

E

D

D

V

V

R

V

F

I

T

R

G

G

H

H

A

A

I

L

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

H

D

P

P

L

K

T

T

F

F

A

M

P

P

S

S

P

P

G

G

T

K

I

V

T

K

Y

H

Y

F

H

H

P

A

P

P

G

G

G

G

L

N

G

G

V

V

R

R

V

V

D

D

S

S

G

H

V

L

Y

Y

Q

S

G

G

Y

Y

K

S

V

V

P

P

P

P

H

N

Y

Y

D

D

S

S

L

L

I

V

G

G

K

K

L

V

I

I

V

T

H

Y

G

G

R

A

S

D

R

R

V

D

E

E

C

A

M

L

M

A

R

R

L

M

R

R

R

N

A

A

L

L

S

D

E

E

F

L

V

I

V

V

D

D

G

G

I

I

N

K

T

T

T

N

V

T

P

E

L

L

F

H

T

K

E

D

L

L

L

V

D

R

N

D

Q

A

D

A

I

F

A

C

N

K

G

G

A

G

Y

V

D

N

I
|
I

H

H

W

Y

L

L

E

E

K

K

F

K

L

L

active site: K116 (= K116), K159 (= K158), P196 (≠ D195), H209 (= H208), R235 (= R234), 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)

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)
61% identity, 97% coverage: 1:443/455 of query aligns to 1:444/448 of P43873

query
sites
P43873

M

M

F

L

S

E

K

K

I

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

L

L

R

R

A

A

C

C

K

K

E

E

L

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

E

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

S

T

V

I

C

C

I

I

G

G

P

P

P

A

V

P

A

S

R

A

D

K

S

S

Y

Y

L

L

N

N

I

I

P

P

Q

A

I

I

L

I

A

A

A

A

C

A

E

E

I

V

T

T

G

G

A

A

D

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

R

D

F

F

A

A

E

E

I

Q

L

V

E

E

A

R

H

S

G

G

I

F

T

T

F

F

I

I

G

G

P

P

T

T

S

A

E

D

H

V

I

I

R

R

V

L

M

M

G

G

D

D

K
|
K

I

V

Q

S

A

A

K

I

T

K

T

A

A

M

I

K

E

K

L

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

G

P

I

V

T

S

P

-

E

-

D

N

D

D

V

I

-

A

-

K

-

N

H

K

A

E

I

I

A

A

A

K

E

R

I

I

G

G

Y

Y

P

P

V

I

L

I

V

I

K
|
K

A

A

A

S

A

G

G

G

G

G

G

G

G

G

R

R

G

G

M

M

K

R

V

V

A

V

P

R

T

S

A

E

E

D

D

A

L

L

D

E

L

E

A

S

I

I

S

A

T

M

A

T

R

K

S

A

E

E

S

A

K

K

A

A

A

A

F

F

G

N

D

N

D

D

A

M

L

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

V

I

Q

Q

V

V

L

L

G

A

D

D

G

T

Q

H

G

G

N

N

A

A

I

V

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q

Q

R

R

R

R

H

H

Q

Q

K

K

V

V

F

V

E

E

E

E

C

A

P

P

S

A

P

P

A

G

L

I

N

T

E

E

E

E

Q

V

R

R

Q

R

N

D

I

I

G

G

E

S

I

R

C

C

A

A

V

N

A

A

M

C

R

V

K

E

L

I

K

G

Y

Y

R

R

G

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

V

V

T

T

E

E

M

M

V

I

T

T

G

G

I

V

D

D

L

L

V

V

I

K

E

E

Q

Q

I

L

R

R

I

I

A

A

A

A

G

G

A

L

N

P

L

I

S

S

I

F

N

K

Q

Q

E

E

D

D

V

I

R

K

F

V

T

K

G

G

H

H

A

A

I

M

E

E

C

C

R

R

I

I

N

N

A

A

E

E

H

D

P

P

L

K

T

T

F

F

A

L

P

P

S

S

P

P

G

G

T

K

I

V

T

N

Y

H

Y

L

H

H

P

S

P

P

G

G

G

G

L

L

G

G

V

V

R

R

V

W

D

D

S

S

G

H

V

V

Y

Y

Q

G

G

G

Y

Y

K

T

V

V

P

P

P

P

H

H

Y

Y

D

D

S

S

L

M

I

I

G

A

K

K

L

L

I

I

V

T

H

Y

G

G

R

D

S

T

R

R

V

E

E

V

C

A

M

I

M

R

R

R

L

M

R

Q

R

N

A

A

L

L

S

S

E

E

F

T

V

I

V

I

D

D

G

G

I

I

N

K

T

T

T

N

V

I

P

P

L

L

F

H

T

E

E

L

L

I

L

L

D

E

N

D

Q

E

D

N

I

F

A

Q

N

K

G

G

A

G

Y

T

D

N

I

I

H

H

W

Y

L

L

E

E

K

K

F

K

L

L

K116 (= K116) binding ATP
K159 (= K158) binding ATP
EKYL 201:204 (= EKYL 200:203) binding ATP
E276 (= E275) binding ATP; binding Mg(2+)
E288 (= E287) binding ATP; binding Mg(2+)
N290 (= N289) binding Mg(2+)

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
61% identity, 97% coverage: 1:443/455 of query aligns to 1:444/445 of 6ojhA

query
sites
6ojhA

M

M

F

L

S

E

K

K

I

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

L

L

R

R

A

A

C

C

K

K

E

E

L

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

E

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

S

T

V

I

C

C

I

I

G

G

P

P

P

A

V

P

A

S

R

A

D

K

S

S

Y

Y

L

L

N

N

I

I

P

P

Q

A

I

I

L

I

A

A

A

A

C

A

E

E

I

V

T

T

G

G

A

A

D

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

R

D

F

F

A

A

E

E

I

Q

L

V

E

E

A

R

H

S

G

G

I

F

T

T

F

F

I

I

G

G

P

P

T

T

S

A

E

D

H

V

I

I

R

R

V

L

M

M

G

G

D

D

K
|
K

I

V

Q

S

A

A

K

I

T

K

T

A

A

M

I

K

E

K

L

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

G

P

I

V

T

S

P

-

E

-

D

N

D

D

V

I

-

A

-

K

-

N

H

K

A

E

I

I

A

A

A

K

E

R

I

I

G

G

Y

Y

P

P

V

I

L

I

V

I

K
|
K

A

A

A

S

A

G

G

G

G

G

G

G

G

G

R

R

G

G

M
|
M

K

R

V

V

A

V

P

R

T

S

A

E

E

D

D

A

L

L

D

E

L

E

A

S

I

I

S

A

T

M

A

T

R

K

S

A

E

E

S

A

K

K

A

A

A

A

F

F

G

N

D

N

D
|
D

A

M

L

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

V

I

Q

Q

V

V

L

L

G

A

D

D

G

T

Q

H

G

G

N

N

A

A

I

V

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q

Q

R

R

R
|
R

H
|
H

Q

Q

K

K

V

V

F

V

E

E

E

E

C

A

P

P

S

A

P

P

A

G

L

I

N

T

E

E

E

E

Q

V

R

R

Q

R

N

D

I

I

G

G

E

S

I

R

C

C

A

A

V

N

A

A

M

C

R

V

K

E

L

I

K

G

Y

Y

R

R

G

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

V

V

T

T

E

E

M

M

V

I

T

T

G

G

I

V

D

D

L

L

V

V

I

K

E

E

Q

Q

I

L

R

R

I

I

A

A

A

A

G

G

A

L

N

P

L

I

S

S

I

F

N

K

Q

Q

E

E

D

D

V

I

R

K

F

V

T

K

G

G

H

H

A

A

I

M

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

H

D

P

P

L

K

T

T

F

F

A

L

P

P

S

S

P

P

G

G

T

K

I

V

T

N

Y

H

Y

L

H

H

P

S

P

P

G

G

G

G

L

L

G

G

V

V

R

R

V

W

D

D

S

S

G

H

V

V

Y

Y

Q

G

G

G

Y

Y

K

T

V

V

P

P

P

P

H

H

Y

Y

D

D

S

S

L

M

I

I

G

A

K

K

L

L

I

I

V

T

H

Y

G

G

R

D

S

T

R

R

V

E

E

V

C

A

M

I

M

R

R

R

L

M

R

Q

R

N

A

A

L

L

S

S

E

E

F

T

V

I

V

I

D

D

G

G

I

I

N

K

T

T

T

N

V

I

P

P

L

L

F

H

T

E

E

L

L

I

L

L

D

E

N

D

Q

E

D

N

I

F

A

Q

N

K

G

G

A

G

Y

T

D

N

I
|
I

H

H

W

Y

L

L

E

E

K

K

F

K

L

L

active site: K116 (= K116), K159 (= K158), D196 (= D195), H209 (= H208), R235 (= R234), 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)

8uz2C E. Coli acetyl-coa carboxylase, narrow helical local reconstruction, 3.18 angstrom
62% identity, 97% coverage: 1:443/455 of query aligns to 1:444/446 of 8uz2C

query
sites
8uz2C

M

M

F

L

S

D

K

K

I

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

L

L

R

R

A

A

C

C

K

K

E

E

L

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

E

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

S

T

V

V

C

C

I

I

G

G

P

P

P

A

V

P

A

S

R

V

D

K

S

S

Y

Y

L

L

N

N

I

I

P

P

Q

A

I

I

L

I

A

S

A

A

C

A

E

E

I

I

T

T

G

G

A

A

D

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

R

N

F

F

A

A

E

E

I

Q

L

V

E

E

A

R

H

S

G

G

I

F

T

I

F

F

I

I

G

G

P

P

T

K

S

A

E

E

H

T

I

I

R

R

V

L

M

M

G

G

D

D

K
|
K

I

V

Q

S

A

A

K

I

T

A

T

A

A

M

I

K

E

K

L

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

G

P

I

L

T

G

P

D

E

D

-

M

D

D

D

K

V

N

H

R

A

A

I

I

A

A

A

K

E

R

I

I

G

G

Y

Y

P

P

V

V

L

I

V

I

K
|
K

A

A

A

S

A

G

G

G

G
|
G

G
|
G

G
|
G

R

R

G

G

M
|
M

K

R

V

V

A

V

P

R

T

G

A

D

E

A

D

E

L

L

D

A

L

Q

A

S

I

I

S

S

T

M

A

T

R

R

S

A

E

E

S

A

K

K

A

A

A

A

F

F

G

S

D

N

D

D

A

M

L

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

V

I

Q

Q

V

V

L

L

G

A

D

D

G

G

Q

Q

G

G

N

N

A

A

I

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q
|
Q

R

R

R

R

H
|
H

Q

Q

K

K

V

V

F

V

E

E

E

E

C

A

P

P

S

A

P

P

A

G

L

I

N

T

E

P

E

E

Q

L

R

R

Q

R

N

Y

I

I

G

G

E

E

I

R

C

C

A

A

V

K

A

A

M

C

R

V

K

D

L

I

K

G

Y

Y

R

R

G

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

V

V

T

T

E

E

M

M

V

I

T

T

G

G

I

V

D

D

L

L

V

I

I

K

E

E

Q

Q

I

L

R

R

I

I

A

A

A

A

G

G

A

Q

N

P

L

L

S

S

I

I

N

K

Q

Q

E

E

D

E

V

V

R

H

F

V

T

R

G

G

H

H

A

A

I

V

E

E

C

C

R

R

I

I

N

N

A

A

E

E

H

D

P

P

L

N

T

T

F

F

A

L

P

P

S

S

P

P

G

G

T

K

I

I

T

T

Y
x
R

Y

F

H

H

P

A

P

P

G

G

G

G

L

F

G

G

V

V

R

R

V

W

D

E

S

S

G

H

V

I

Y

Y

Q

A

G

G

Y

Y

K

T

V

V

P

P

P

P

H

Y

Y

Y

D

D

S

S

L

M

I

I

G

G

K

K

L

L

I

I

V

C

H

Y

G

G

R

E

S

N

R

R

V

D

E

V

C

A

M

I

M

A

R

R

L

M

R

K

R

N

A

A

L

L

S

Q

E

E

F

L

V
x
I

V

I

D

D

G

G

I

I

N

K

T

T

T

N

V

V

P

D

L

L

F

Q

T

I

E

R

L

I

L

M

D

N

N

D

Q

E

D

N

I

F

A

Q

N

H

G

G

A

G

Y

T

D

N

I
|
I

H

H

W

Y

L

L

E

E

K

K

F

K

L

L

binding adenosine-5'-diphosphate: K116 (= K116), K159 (= K158), G164 (= G163), G165 (= G164), G166 (= G165), M169 (= M168), H209 (= H208), Q233 (= Q232), H236 (= H235), L278 (= L277), E288 (= E287), I437 (= I436)
binding magnesium ion: E276 (= E275), E288 (= E287)
binding : R356 (≠ Y355), I410 (≠ V409)

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)
62% identity, 97% coverage: 1:443/455 of query aligns to 1:444/446 of 6oi9A

query
sites
6oi9A

M

M

F

L

S

D

K

K

I

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

L

L

R

R

A

A

C

C

K

K

E

E

L

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

E

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

S

T

V

V

C

C

I

I

G

G

P

P

P

A

V

P

A

S

R

V

D

K

S

S

Y

Y

L

L

N

N

I

I

P

P

Q

A

I

I

L

I

A

S

A

A

C

A

E

E

I

I

T

T

G

G

A

A

D

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

R

N

F

F

A

A

E

E

I

Q

L

V

E

E

A

R

H

S

G

G

I

F

T

I

F

F

I

I

G

G

P

P

T

K

S

A

E

E

H

T

I

I

R

R

V

L

M

M

G

G

D

D

K

K

I

V

Q

S

A

A

K

I

T

A

T

A

A

M

I

K

E

K

L

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

G

P

I

L

T

G

P

D

E

D

-

M

D

D

D

K

V

N

H

R

A

A

I

I

A

A

A

K

E

R

I

I

G

G

Y

Y

P

P

V

V

L

I

V

I

K
|
K

A

A

A

S

A

G

G

G

G

G

G

G

G

G

R

R

G

G

M
|
M

K

R

V

V

A

V

P

R

T

G

A

D

E

A

D

E

L

L

D

A

L

Q

A

S

I

I

S

S

T

M

A

T

R

R

S

A

E

E

S

A

K

K

A

A

A

A

F

F

G

S

D

N

D

D

A

M

L

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

V

I

Q

Q

V

V

L

L

G

A

D

D

G

G

Q

Q

G

G

N

N

A

A

I

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q
|
Q

R

R

R

R

H
|
H

Q

Q

K

K

V

V

F

V

E

E

E

E

C

A

P

P

S

A

P

P

A

G

L

I

N

T

E

P

E

E

Q

L

R

R

Q

R

N

Y

I

I

G

G

E

E

I

R

C

C

A

A

V

K

A

A

M

C

R

V

K

D

L

I

K

G

Y

Y

R

R

G

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

V

V

T

T

E

E

M

M

V

I

T

T

G

G

I

V

D

D

L

L

V

I

I

K

E

E

Q

Q

I

L

R

R

I

I

A

A

A

A

G

G

A

Q

N

P

L

L

S

S

I

I

N

K

Q

Q

E

E

D

E

V

V

R

H

F

V

T

R

G

G

H

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

H

D

P

P

L

N

T

T

F

F

A

L

P

P

S

S

P

P

G

G

T

K

I

I

T

T

Y

R

Y

F

H

H

P

A

P

P

G

G

G

G

L

F

G

G

V

V

R

R

V

W

D

E

S

S

G

H

V

I

Y

Y

Q

A

G

G

Y

Y

K

T

V

V

P

P

P

P

H

Y

Y

Y

D

D

S

S

L

M

I

I

G

G

K

K

L

L

I

I

V

C

H

Y

G

G

R

E

S

N

R

R

V

D

E

V

C

A

M

I

M

A

R

R

L

M

R

K

R

N

A

A

L

L

S

Q

E

E

F

L

V

I

V

I

D

D

G

G

I

I

N

K

T

T

T

N

V

V

P

D

L

L

F

Q

T

I

E

R

L

I

L

M

D

N

N

D

Q

E

D

N

I

F

A

Q

N

H

G

G

A

G

Y

T

D

N

I
|
I

H

H

W

Y

L

L

E

E

K

K

F

K

L

L

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)
62% identity, 97% coverage: 1:443/455 of query aligns to 1:444/446 of 2w71A

query
sites
2w71A

M

M

F

L

S

D

K

K

I

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

L

L

R

R

A

A

C

C

K

K

E

E

L

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

E

R

D

D

A

L

M

K

H

H

V

V

R

L

L

L

A

A

D

D

E

E

S

T

V

V

C

C

I

I

G

G

P

P

P

A

V

P

A

S

R

V

D

K

S

S

Y

Y

L

L

N

N

I

I

P

P

Q

A

I

I

L

I

A

S

A

A

C

A

E

E

I

I

T

T

G

G

A

A

D

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

R

N

F

F

A

A

E

E

I

Q

L

V

E

E

A

R

H

S

G

G

I

F

T

I

F

F

I

I

G

G

P

P

T

K

S

A

E

E

H

T

I

I

R

R

V

L

M

M

G

G

D

D

K
|
K

I

V

Q

S

A

A

K

I

T

A

T

A

A

M

I

K

E

K

L

A

G

G

I

V

P

P

V

C

V

V

P

P

G

G

S

S

D

D

G

G

G

P

I

L

T

G

P

D

E

D

-

M

D

D

D

K

V

N

H

R

A

A

I

I

A

A

A

K

E

R

I

I

G

G

Y

Y

P

P

V

V

L

I

V

I

K
|
K

A

A

A

S

A

G

G

G

G

G

G

G

G

G

R

R

G

G

M

M

K

R

V

V

A

V

P

R

T

G

A

D

E

A

D

E

L

L

D

A

L

Q

A

S

I

I

S

S

T

M

A

T

R

R

S

A

E

E

S

A

K

K

A

A

A

A

F

F

G

S

D

N

D
|
D

A

M

L

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

V

I

Q

Q

V

V

L

L

G

A

D

D

G

G

Q

Q

G

G

N

N

A

A

I

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q
|
Q

R

R

R
|
R

H
|
H

Q

Q

K

K

V

V

F

V

E

E

E

E

C

A

P

P

S

A

P

P

A

G

L

I

N

T

E

P

E

E

Q

L

R

R

Q

R

N

Y

I

I

G

G

E

E

I

R

C

C

A

A

V

K

A

A

M

C

R

V

K

D

L

I

K

G

Y

Y

R

R

G

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

V

V

T

T

E

E

M

M

V

I

T

T

G

G

I

V

D

D

L

L

V

I

I

K

E

E

Q

Q

I

L

R

R

I

I

A

A

A

A

G

G

A

Q

N

P

L

L

S

S

I

I

N

K

Q

Q

E

E

D

E

V

V

R

H

F

V

T

R

G

G

H

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

H

D

P

P

L

N

T

T

F

F

A

L

P

P

S

S

P

P

G

G

T

K

I

I

T

T

Y

R

Y

F

H

H

P

A

P

P

G

G

G

G

L

F

G

G

V

V

R

R

V

W

D

E

S

S

G

H

V

I

Y

Y

Q

A

G

G

Y

Y

K

T

V

V

P

P

P

P

H

Y