SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_000488665.1 NCBI__GCF_000382825.1:WP_000488665.1 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)

2vpqB Crystal structure of biotin carboxylase from s. Aureus complexed with amppnp (see paper)
56% identity, 97% coverage: 3:443/455 of query aligns to 1:440/448 of 2vpqB

query
sites
2vpqB

R

K

K

K

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N

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active site: V116 (≠ N118), K156 (= K158), H206 (= H208), R232 (≠ N234), T271 (= T273), E273 (= E275), E287 (= E289), N289 (= N291), R291 (= R293), E295 (= E297), R337 (= R339)
binding phosphoaminophosphonic acid-adenylate ester: K114 (= K116), I154 (≠ M156), K156 (= K158), G161 (= G163), G163 (= G165), I166 (= I168), F200 (≠ V202), I201 (= I203), E273 (= E275), I275 (≠ L277), M286 (= M288), E287 (= E289)
binding magnesium ion: E273 (= E275), E287 (= E289)

2vr1A Crystal structure of biotin carboxylase from e. Coli in complex with atp analog, adpcf2p. (see paper)
53% identity, 97% coverage: 1:443/455 of query aligns to 1:438/444 of 2vr1A

query
sites
2vr1A

M

M

F

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K

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L

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F

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active site: K116 (= K116), K159 (= K158), D194 (≠ G195), H207 (= H208), R233 (≠ N234), T272 (= T273), E274 (= E275), E286 (= E289), N288 (= N291), R290 (= R293), E294 (= E297), R336 (= R339)
binding phosphodifluoromethylphosphonic acid-adenylate ester: K159 (= K158), R165 (≠ K166), M167 (≠ I168), Y201 (≠ V202), L202 (≠ I203), E274 (= E275), L276 (= L277), E286 (= E289), N288 (= N291), I435 (≠ T440)

2vqdA Crystal structure of biotin carboxylase from pseudomonas aeruginosa complexed with ampcp (see paper)
53% identity, 97% coverage: 1:443/455 of query aligns to 1:440/447 of 2vqdA

query
sites
2vqdA

M

M

F

L

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E

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K

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L

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N

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C

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K

I

V

T

K

N

H

L

F

Y

H

L

A

P

P

S

-

G

G

V

N

G

G

L

V

R

R

V

V

D

D

S

S

A

H

V

L

Y

Y

P

S

G

G

Y

Y

T

S

I

V

P

P

Y

N

Y

Y

D

D

S

S

M

L

I

V

A

G

K

K

I

V

I

I

V

T

H

Y

G

G

E

A

N

D

R

R

F

D

D

E

A

A

L

L

M

A

K

R

M

M

Q

R

R

N

A

A

L

L

Y

D

E

E

L

L

D

I

I

V

E

D

G

G

V

I

Q

K

T

T

N

N

A

T

D

E

F

L

Q

H

L

K

D

D

L

L

I

V

S

R

D

D

R

A

V

F

I

C

A

K

G

G

D

G

Y

V

D

N

T
x
I

S

H

F

Y

L

L

active site: K116 (= K116), K159 (= K158), P196 (≠ G195), H209 (= H208), R235 (≠ N234), T274 (= T273), E276 (= E275), E288 (= E289), N290 (= N291), R292 (= R293), E296 (= E297), R338 (= R339)
binding phosphomethylphosphonic acid adenosyl ester: K116 (= K116), I157 (≠ M156), K159 (= K158), G164 (= G163), G166 (= G165), F203 (≠ V202), L204 (≠ I203), H209 (= H208), Q233 (= Q232), H236 (≠ N235), L278 (= L277), E288 (= E289), I437 (≠ T440)
binding magnesium ion: E276 (= E275), E288 (= E289)

4mv4A Crystal structure of biotin carboxylase from haemophilus influenzae in complex with amppcp and mg2 (see paper)
52% identity, 97% coverage: 1:443/455 of query aligns to 1:437/442 of 4mv4A

query
sites
4mv4A

M

M

F

L

R

E

K

K

I

V

L

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

R

K

E

E

L

L

G

G

I

I

A

K

T

T

V

V

A

A

V

V

Y

H

S

S

T

T

A

A

D

D

K

R

E

D

A

L

L

K

H

H

T

V

L

L

A

A

D

D

E

E

A

T

I

I

C

C

I

I

G

G

P

P

G

A

K

P

A

S

T

A

E

K

S

S

Y

Y

L

L

N

N

I

I

N

P

A

A

I

I

L

I

S

A

A

A

V

E

L

V

T

T

E

G

A

A

E

D

A

A

I

I

H

H

P

P

G

G

F

Y

G

G

F

F

L

L

S

S

E

E

N

N

S

A

K

D

F

F

A

A

T

E

M

Q

C

V

D

E

E

R

V

S

G

G

I

F

K

T

F

F

I

I

G

G

P

P

S

T

G

A

A

D

V

V

M

I

D

R

T

L

M

M

G

G

D

D

K
|
K

I

V

N

S

A

A

R

I

E

K

Q

A

M

M

I

K

K

K

A

A

G

G

V

V

P

P

V

C

I

V

P

P

G

G

S

S

D

D

G

G

E

P

V

V

-

S

H

N

T

D

A

I

E

A

E

K

A

N

L

K

A

E

V

I

A

A

E

K

K

R

I

I

G

G

Y

Y

P

P

V

I

M

I

L

I

K
|
K

A

A

S

S

A

G

G

G

G
|
G

G

G

G
x
M

K

R

G

V

I

V

R

R

K

S

V

E

E

D

K

A

A

L

E

E

D

E

L

S

V

I

A

A

A

-

F

-

E

-

T

M

A

T

S

K

S

A

E

E

A

A

K

K

A

A

N

A

F

F

G

N

N

N

G
x
D

A

M

M

V

Y

Y

L

M

E
|
E

R

K

V
x
Y

I
x
L

Y

E

P

N

A

P

R

R

H
|
H

I

V

E

E

V

I

Q

Q

I

V

L

L

A

A

D

D

Q

T

E

H

G

G

H

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

N
x
R

N
x
H

Q

Q

K

K

V

V

L

V

E

E

S

A

P

P

S

A

I

P

A

G

I

I

G

T

K

E

T

E

L

V

R

R

N

R

E

D

I

I

G

G

A

S

A

R

A

C

V

A

R

N

A

A

A

C

E

V

S

E

V

I

G

G

Y

Y

E

R

N

G

A

A

G

G

T
|
T

I

F

E
|
E

F

F

L
|
L

L

Y

D

E

E

-

A

-

S

N

G

G

N

E

F

F

Y

Y

F

F

M

I

E
|
E

M

M

N
|
N

T

T

R
|
R

V

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

F

M

V

I

S

T

G

G

V

V

D

D

I

L

V

V

K

K

E

E

Q

Q

I

L

R

R

I

I

A

A

G

G

Q

L

P

P

L

I

P

S

F

F

K

K

Q

Q

E

E

D

D

I

I

V

K

L

V

R

K

G

G

H

H

A

A

I

M

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

N

D

P

P

A

K

F

-

N

T

F

F

A

L

P

P

S

S

P

P

G

G

K

K

I

V

T

N

N

H

L

L

Y

H

L

S

P

P

S

-

G

G

V

L

G

G

L

V

R

R

V

W

D

D

S

S

A

H

V

V

Y

Y

P

G

G

G

Y

Y

T

T

I

V

P

P

Y

H

Y

Y

D

D

S

S

M

M

I

I

A

A

K

K

I

L

I

I

V

T

H

Y

G

G

E

D

N

T

R

R

F

E

D

V

A

A

L

I

M

R

K

R

M

M

Q

Q

R

N

A

A

L

L

Y

S

E

E

L

T

D

I

I

I

E

D

G

G

V

I

Q

K

T

T

N

N

A

I

D

P

F

L

Q

H

L

E

D

L

L

I

I

L

S

E

D

D

R

E

R

N

V

F

I

Q

A

K

G

G

D

G

Y

T

D

N

T

I

S

H

F

Y

L

L

active site: K116 (= K116), K159 (= K158), D193 (≠ G195), H206 (= H208), R232 (≠ N234), T271 (= T273), E273 (= E275), E285 (= E289), N287 (= N291), R289 (= R293), E293 (= E297), R335 (= R339)
binding phosphomethylphosphonic acid adenylate ester: K159 (= K158), G164 (= G163), M166 (≠ G165), E198 (= E200), Y200 (≠ V202), L201 (≠ I203), H233 (≠ N235), L275 (= L277), E285 (= E289)
binding magnesium ion: E273 (= E275), E285 (= E289)

3rupA Crystal structure of e.Coli biotin carboxylase in complex with two adp and two ca ions (see paper)
53% identity, 97% coverage: 1:443/455 of query aligns to 1:440/444 of 3rupA

query
sites
3rupA

M

M

F

L

R

D

K

K

I

I

L

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

R

K

E

E

L

L

G

G

I

I

A

K

T

T

V

V

A

A

V

V

Y

H

S

S

T

S

A

A

D

D

K

R

E

D

A

L

L

K

H

H

T

V

L

L

A

A

D

D

E

E

A

T

I

V

C

C

I

I

G

G

P

P

G

A

K

P

A

S

T

V

E

K

S

S

Y

Y

L

L

N

N

I

I

N

P

A

A

I

I

L

I

S

S

A

A

V

E

L

I

T

T

E

G

A

A

E

V

A

A

I

I

H

H

P

P

G

G

F
x
Y

G
|
G

F

F

L

L

S

S

E
|
E

N

N

S

A

K

N

F

F

A

A

T

E

M

Q

C

V

D

E

E

R

V

S

G

G

I

F

K

I

F

F

I

I

G

G

P

P

S

K

G

A

A

E

V

T

M

I

D

R

T

L

M

M

G

G

D

D

K
|
K

I

V

N

S

A

A

R

I

E

A

Q

A

M

M

I

K

K

K

A

A

G

G

V

V

P

P

V

C

I

V

P

P

G

G

S

S

D

D

G

G

E

P

V

L

-

G

H

D

T

D

A

M

E

D

E

K

A

N

L

R

A

A

V

I

A

A

E

K

K

R

I

I

G

G

Y

Y

P

P

V

V

M

I

L

I

K
|
K

A

A

S

S

A

G

G

G

G
|
G

K
x
R

G

G

I
x
M

R

R

K

V

V

V

E

R

K

G

A

D

E

A

D

E

L

L

V

A

A

Q

A

S

F

I

E

S

T

M

A

T

S

R

S

A

E

E

A

A

K

K

A

A

N

A

F
|
F

G

S

N

N

G
x
D

A

M

M

V

Y

Y

L

M

E
|
E

R
x
K

V
x
Y

I
x
L

Y

E

P

N

A

P

R

R

H
|
H

I

V

E

E

V

I

Q

Q

I

V

L

L

A

A

D

D

Q

G

E

Q

G

G

H

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

N
x
R

N
x
H

Q

Q

K
|
K

V

V

L

V

E

E

S

A

P

P

S

A

I

P

A

G

I

I

G

T

K

P

T

E

L

L

R

R

N

R

E

Y

I

I

G

G

A

E

A

R

A

C

V

A

R

K

A

A

A

C

E

V

S

D

V

I

G

G

Y

Y

E

R

N

G

A

A

G

G

T
|
T

I

F

E
|
E

F

F

L
|
L

L

F

D

E

E

-

A

-

S

N

G

G

N

E

F

F

Y

Y

F

F

M

I

E
|
E

M

M

N
|
N

T

T

R
|
R

V

I

Q

Q

V
|
V

E
|
E

H

H

P

P

V

V

T

T

E

E

F

M

V

I

S

T

G

G

V

V

D

D

I

L

V

I

K

K

E

E

Q

Q

I

L

R

R

I

I

A

A

G

G

Q

Q

P

P

L

L

P

S

F

I

K

K

Q

Q

E

E

D

E

I

V

V

H

L

V

R

R

G

G

H

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

N

D

P

P

A

N

F

-

N

T

F

F

A

L

P

P

S

S

P

P

G

G

K

K

I

I

T

T

N

R

L

F

Y

H

L

A

P

P

S

-

G

G

V

F

G

G

L

V

R

R

V

W

D

E

S

S

A

H

V

I

Y

Y

P

A

G

G

Y

Y

T

T

I

V

P

P

Y

Y

D
|
D

S

S

M

M

I

I

A

G

K

K

I

L

I

I

V

C

H

Y

G

G

E

E

N

N

R

R

F

D

D

V

A

A

L

I

M

A

K

R

M

M

Q

K

R

N

A

A

L

L

Y

Q

E

E

L

L

D

I

I

I

E

D

G

G

V

I

Q

K

T

T

N

N

A

V

D

D

F

L

Q

Q

L

I

D

R

L

I

I

M

S

N

D

D

R

E

R

N

V

F

I

Q

A

H

G

G

D

G

Y

T

D

N

T
x
I

S

H

F

Y

L

L

active site: K116 (= K116), K159 (= K158), D196 (≠ G195), H209 (= H208), R235 (≠ N234), T274 (= T273), E276 (= E275), E288 (= E289), N290 (= N291), R292 (= R293), E296 (= E297), R338 (= R339)
binding adenosine-5'-diphosphate: Y82 (≠ F82), G83 (= G83), K116 (= K116), K159 (= K158), G164 (= G163), G164 (= G163), G165 (= G164), G166 (= G165), R167 (≠ K166), M169 (≠ I168), F193 (= F192), E201 (= E200), K202 (≠ R201), Y203 (≠ V202), L204 (≠ I203), H209 (= H208), Q233 (= Q232), H236 (≠ N235), K238 (= K237), L278 (= L277), E288 (= E289), R292 (= R293), V295 (= V296), E296 (= E297), R338 (= R339), D382 (= D385), I437 (≠ T440)
binding calcium ion: E87 (= E87), E276 (= E275), E288 (= E289), E288 (= E289), N290 (= N291)

3g8cA Crystal structure of biotin carboxylase in complex with biotin, bicarbonate, adp and mg ion (see paper)
53% identity, 97% coverage: 1:443/455 of query aligns to 1:440/444 of 3g8cA

query
sites
3g8cA

M

M

F

L

R

D

K

K

I

I

L

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

R

K

E

E

L

L

G

G

I

I

A

K

T

T

V

V

A

A

V

V

Y

H

S

S

T

S

A

A

D

D

K

R

E

D

A

L

L

K

H

H

T

V

L

L

A

A

D

D

E

E

A

T

I

V

C

C

I

I

G

G

P

P

G

A

K

P

A

S

T

V

E

K

S

S

Y

Y

L

L

N

N

I

I

N

P

A

A

I

I

L

I

S

S

A

A

V

E

L

I

T

T

E

G

A

A

E

V

A

A

I

I

H

H

P

P

G

G

F
x
Y

G

G

F
|
F

L

L

S

S

E

E

N

N

S

A

K

N

F

F

A

A

T

E

M

Q

C

V

D

E

E

R

V

S

G

G

I

F

K

I

F

F

I

I

G

G

P

P

S

K

G

A

A

E

V

T

M

I

D

R

T

L

M

M

G

G

D

D

K
|
K

I

V

N

S

A

A

R

I

E

A

Q

A

M

M

I

K

K

K

A

A

G

G

V

V

P

P

V

C

I

V

P

P

G

G

S

S

D

D

G

G

E

P

V

L

-

G

H

D

T

D

A

M

E

D

E

K

A

N

L

R

A

A

V

I

A

A

E

K

K

R

I

I

G

G

Y

Y

P

P

V

V

M
x
I

L

I

K
|
K

A

A

S

S

A

G

G

G

G
|
G

G

G

K

R

G

G

I
x
M

R

R

K

V

V

V

E

R

K

G

A

D

E

A

D

E

L

L

V

A

A

Q

A

S

F

I

E

S

T

M

A

T

S

R

S

A

E

E

A

A

K

K

A

A

N

A

F

F

G

S

N

N

G
x
D

A

M

M

V

Y

Y

L

M

E
|
E

R
x
K

V
x
Y

I
x
L

Y

E

P

N

A

P

R

R

H
|
H

I

V

E

E

V

I

Q

Q

I

V

L

L

A

A

D

D

Q

G

E

Q

G

G

H

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

N
x
R

N
x
H

Q

Q

K
|
K

V

V

L

V

E

E

S

A

P

P

S

A

I

P

A

G

I

I

G

T

K

P

T

E

L

L

R

R

N

R

E

Y

I

I

G

G

A

E

A

R

A

C

V

A

R

K

A

A

A

C

E

V

S

D

V

I

G

G

Y

Y

E

R

N

G

A

A

G

G

T
|
T

I

F

E
|
E

F

F

L
|
L

L

F

D

E

E

-

A

-

S

N

G

G

N

E

F

F

Y

Y

F

F

M

I

E
|
E

M

M

N
|
N

T

T

R
|
R

V

I

Q
|
Q

V
|
V

E
|
E

H

H

P

P

V

V

T

T

E

E

F

M

V

I

S

T

G

G

V

V

D

D

I

L

V

I

K

K

E

E

Q

Q

I

L

R

R

I

I

A

A

G

G

Q

Q

P

P

L

L

P

S

F

I

K

K

Q

Q

E

E

D

E

I

V

V

H

L

V

R

R

G

G

H

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

N

D

P

P

A

N

F

-

N

T

F

F

A

L

P

P

S

S

P

P

G

G

K

K

I

I

T

T

N

R

L

F

Y

H

L

A

P

P

S

-

G

G

V

F

G

G

L

V

R

R

V

W

D

E

S

S

A

H

V

I

Y

Y

P

A

G

G

Y

Y

T

T

I

V

P

P

Y

Y

D
|
D

S

S

M

M

I

I

A

G

K

K

I

L

I

I

V

C

H

Y

G

G

E

E

N

N

R

R

F

D

D

V

A

A

L

I

M

A

K

R

M

M

Q

K

R

N

A

A

L

L

Y

Q

E

E

L

L

D

I

I

I

E

D

G

G

V

I

Q

K

T

T

N

N

A

V

D

D

F

L

Q

Q

L

I

D

R

L

I

I

M

S

N

D

D

R

E

R

N

V

F

I

Q

A

H

G

G

D

G

Y

T

D

N

T
x
I

S

H

F

Y

L

L

active site: K116 (= K116), K159 (= K158), D196 (≠ G195), H209 (= H208), R235 (≠ N234), T274 (= T273), E276 (= E275), E288 (= E289), N290 (= N291), R292 (= R293), E296 (= E297), R338 (= R339)
binding adenosine-5'-diphosphate: I157 (≠ M156), K159 (= K158), G164 (= G163), M169 (≠ I168), E201 (= E200), K202 (≠ R201), Y203 (≠ V202), L204 (≠ I203), Q233 (= Q232), H236 (≠ N235), L278 (= L277), E288 (= E289), I437 (≠ T440)
binding bicarbonate ion: K238 (= K237), R292 (= R293), Q294 (= Q295), V295 (= V296), E296 (= E297)
binding biotin: Y82 (≠ F82), F84 (= F84), R292 (= R293), V295 (= V296), R338 (= R339), D382 (= D385)
binding magnesium ion: E276 (= E275), E288 (= E289)

3jziA Crystal structure of biotin carboxylase from e. Coli in complex with benzimidazole series (see paper)
53% identity, 97% coverage: 1:443/455 of query aligns to 1:440/445 of 3jziA

query
sites
3jziA

M

M

F

L

R

D

K

K

I

I

L

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

R

K

E

E

L

L

G

G

I

I

A

K

T

T

V

V

A

A

V

V

Y

H

S

S

T

S

A

A

D

D

K

R

E

D

A

L

L

K

H

H

T

V

L

L

A

A

D

D

E

E

A

T

I

V

C

C

I

I

G

G

P

P

G

A

K

P

A

S

T

V

E

K

S

S

Y

Y

L

L

N

N

I

I

N

P

A

A

I

I

L

I

S

S

A

A

V

E

L

I

T

T

E

G

A

A

E

V

A

A

I

I

H

H

P

P

G

G

F

Y

G

G

F

F

L

L

S

S

E

E

N

N

S

A

K

N

F

F

A

A

T

E

M

Q

C

V

D

E

E

R

V

S

G

G

I

F

K

I

F

F

I

I

G

G

P

P

S

K

G

A

A

E

V

T

M

I

D

R

T

L

M

M

G

G

D

D

K
|
K

I

V

N

S

A

A

R

I

E

A

Q

A

M

M

I

K

K

K

A

A

G

G

V

V

P

P

V

C

I

V

P

P

G

G

S

S

D

D

G

G

E

P

V

L

-

G

H

D

T

D

A

M

E

D

E

K

A

N

L

R

A

A

V

I

A

A

E

K

K

R

I

I

G

G

Y

Y

P

P

V

V

M

I

L

I

K
|
K

A
|
A

S

S

A

G

G

G

G
|
G

G

G

K

R

G

G

I
x
M

R

R

K

V

V

V

E

R

K

G

A

D

E

A

D

E

L

L

V

A

A

Q

A

S

F

I

E

S

T

M

A

T

S

R

S

A

E

E

A

A

K

K

A

A

N

A

F

F

G

S

N

N

G
x
D

A

M

M

V

Y
|
Y

L

M

E
|
E

R
x
K

V
x
Y

I

L

Y

E

P

N

A

P

R

R

H
|
H

I

V

E

E

V

I

Q

Q

I

V

L

L

A

A

D

D

Q

G

E

Q

G

G

H

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

N
x
R

N
x
H

Q

Q

K

K

V

V

L

V

E

E

S

A

P

P

S

A

I

P

A

G

I

I

G

T

K

P

T

E

L

L

R

R

N

R

E

Y

I

I

G

G

A

E

A

R

A

C

V

A

R

K

A

A

A

C

E

V

S

D

V

I

G

G

Y

Y

E

R

N

G

A

A

G

G

T
|
T

I

F

E
|
E

F

F

L
|
L

L

F

D

E

E

-

A

-

S

N

G

G

N

E

F

F

Y

Y

F

F

M
x
I

E
|
E

M

M

N
|
N

T

T

R
|
R

V

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

F

M

V

I

S

T

G

G

V

V

D

D

I

L

V

I

K

K

E

E

Q

Q

I

L

R

R

I

I

A

A

G

G

Q

Q

P

P

L

L

P

S

F

I

K

K

Q

Q

E

E

D

E

I

V

V

H

L

V

R

R

G

G

H

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

N

D

P

P

A

N

F

-

N

T

F

F

A

L

P

P

S

S

P

P

G

G

K

K

I

I

T

T

N

R

L

F

Y

H

L

A

P

P

S

-

G

G

V

F

G

G

L

V

R

R

V

W

D

E

S

S

A

H

V

I

Y

Y

P

A

G

G

Y

Y

T

T

I

V

P

P

Y

Y

D

D

S

S

M

M

I

I

A

G

K

K

I

L

I

I

V

C

H

Y

G

G

E

E

N

N

R

R

F

D

D

V

A

A

L

I

M

A

K

R

M

M

Q

K

R

N

A

A

L

L

Y

Q

E

E

L

L

D

I

I

I

E

D

G

G

V

I

Q

K

T

T

N

N

A

V

D

D

F

L

Q

Q

L

I

D

R

L

I

I

M

S

N

D

D

R

E

R

N

V

F

I

Q

A

H

G

G

D

G

Y

T

D

N

T

I

S

H

F

Y

L

L

active site: K116 (= K116), K159 (= K158), D196 (≠ G195), H209 (= H208), R235 (≠ N234), T274 (= T273), E276 (= E275), E288 (= E289), N290 (= N291), R292 (= R293), E296 (= E297), R338 (= R339)
binding 7-amino-2-[(2-chlorobenzyl)amino]-1-{[(1S,2S)-2-hydroxycycloheptyl]methyl}-1H-benzimidazole-5-carboxamide: K116 (= K116), K159 (= K158), A160 (= A159), G164 (= G163), G165 (= G164), M169 (≠ I168), Y199 (= Y198), E201 (= E200), K202 (≠ R201), Y203 (≠ V202), H209 (= H208), Q233 (= Q232), H236 (≠ N235), L278 (= L277), I287 (≠ M288), E288 (= E289)

2w6oA Crystal structure of biotin carboxylase from e. Coli in complex with 4-amino-7,7-dimethyl-7,8-dihydro-quinazolinone fragment (see paper)
53% identity, 97% coverage: 1:443/455 of query aligns to 1:440/445 of 2w6oA

query
sites
2w6oA

M

M

F

L

R

D

K

K

I

I

L

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

R

K

E

E

L

L

G

G

I

I

A

K

T

T

V

V

A

A

V

V

Y

H

S

S

T

S

A

A

D

D

K

R

E

D

A

L

L

K

H

H

T

V

L

L

A

A

D

D

E

E

A

T

I

V

C

C

I

I

G

G

P

P

G

A

K

P

A

S

T

V

E

K

S

S

Y

Y

L

L

N

N

I

I

N

P

A

A

I

I

L

I

S

S

A

A

V

E

L

I

T

T

E

G

A

A

E

V

A

A

I

I

H

H

P

P

G

G

F

Y

G

G

F

F

L

L

S

S

E

E

N

N

S

A

K

N

F

F

A

A

T

E

M

Q

C

V

D

E

E

R

V

S

G

G

I

F

K

I

F

F

I

I

G

G

P

P

S

K

G

A

A

E

V

T

M

I

D

R

T

L

M

M

G

G

D

D

K
|
K

I

V

N

S

A

A

R

I

E

A

Q

A

M

M

I

K

K

K

A

A

G

G

V

V

P

P

V

C

I

V

P

P

G

G

S

S

D

D

G

G

E

P

V

L

-

G

H

D

T

D

A

M

E

D

E

K

A

N

L

R

A

A

V

I

A

A

E

K

K

R

I

I

G

G

Y

Y

P

P

V

V

M

I

L

I

K
|
K

A

A

S

S

A

G

G

G

K

R

G

G

I

M

R

R

K

V

V

V

E

R

K

G

A

D

E

A

D

E

L

L

V

A

A

Q

A

S

F

I

E

S

T

M

A

T

S

R

S

A

E

E

A

A

K

K

A

A

N

A

F

F

G

S

N

N

G
x
D

A

M

M

V

Y

Y

L

M

E

E

R
x
K

V
x
Y

I
x
L

Y

E

P

N

A

P

R

R

H
|
H

I

V

E

E

V

I

Q

Q

I

V

L

L

A

A

D

D

Q

G

E

Q

G

G

H

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

N
x
R

N

H

Q

Q

K

K

V

V

L

V

E

E

S

A

P

P

S

A

I

P

A

G

I

I

G

T

K

P

T

E

L

L

R

R

N

R

E

Y

I

I

G

G

A

E

A

R

A

C

V

A

R

K

A

A

A

C

E

V

S

D

V

I

G

G

Y

Y

E

R

N

G

A

A

G

G

T
|
T

I

F

E
|
E

F

F

L
|
L

L

F

D

E

E

-

A

-

S

N

G

G

N

E

F

F

Y

Y

F

F

M

I

E
|
E

M

M

N
|
N

T

T

R
|
R

V

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

F

M

V

I

S

T

G

G

V

V

D

D

I

L

V

I

K

K

E

E

Q

Q

I

L

R

R

I

I

A

A

G

G

Q

Q

P

P

L

L

P

S

F

I

K

K

Q

Q

E

E

D

E

I

V

V

H

L

V

R

R

G

G

H

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

N

D

P

P

A

N

F

-

N

T

F

F

A

L

P

P

S

S

P

P

G

G

K

K

I

I

T

T

N

R

L

F

Y

H

L

A

P

P

S

-

G

G

V

F

G

G

L

V

R

R

V

W

D

E

S

S

A

H

V

I

Y

Y

P

A

G

G

Y

Y

T

T

I

V

P

P

Y

Y

D

D

S

S

M

M

I

I

A

G

K

K

I

L

I

I

V

C

H

Y

G

G

E

E

N

N

R

R

F

D

D

V

A

A

L

I

M

A

K

R

M

M

Q

K

R

N

A

A

L

L

Y

Q

E

E

L

L

D

I

I

I

E

D

G

G

V

I

Q

K

T

T

N

N

A

V

D

D

F

L

Q

Q

L

I

D

R

L

I

I

M

S

N

D

D

R

E

R

N

V

F

I

Q

A

H

G

G

D

G

Y

T

D

N

T
x
I

S

H

F

Y

L

L

active site: K116 (= K116), K159 (= K158), D196 (≠ G195), H209 (= H208), R235 (≠ N234), T274 (= T273), E276 (= E275), E288 (= E289), N290 (= N291), R292 (= R293), E296 (= E297), R338 (= R339)
binding 4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one: K159 (= K158), K202 (≠ R201), Y203 (≠ V202), L204 (≠ I203), L278 (= L277), I437 (≠ T440)

2w6nA Crystal structure of biotin carboxylase from e. Coli in complex with amino-oxazole fragment series (see paper)
53% identity, 97% coverage: 1:443/455 of query aligns to 1:440/445 of 2w6nA

query
sites
2w6nA

M

M

F

L

R

D

K

K

I

I

L

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

R

K

E

E

L

L

G

G

I

I

A

K

T

T

V

V

A

A

V

V

Y

H

S

S

T

S

A

A

D

D

K

R

E

D

A

L

L

K

H

H

T

V

L

L

A

A

D

D

E

E

A

T

I

V

C

C

I

I

G

G

P

P

G

A

K

P

A

S

T

V

E

K

S

S

Y

Y

L

L

N

N

I

I

N

P

A

A

I

I

L

I

S

S

A

A

V

E

L

I

T

T

E

G

A

A

E

V

A

A

I

I

H

H

P

P

G

G

F

Y

G

G

F

F

L

L

S

S

E

E

N

N

S

A

K

N

F

F

A

A

T

E

M

Q

C

V

D

E

E

R

V

S

G

G

I

F

K

I

F

F

I

I

G

G

P

P

S

K

G

A

A

E

V

T

M

I

D

R

T

L

M

M

G

G

D

D

K
|
K

I

V

N

S

A

A

R

I

E

A

Q

A

M

M

I

K

K

K

A

A

G

G

V

V

P

P

V

C

I

V

P

P

G

G

S

S

D

D

G

G

E

P

V

L

-

G

H

D

T

D

A

M

E

D

E

K

A

N

L

R

A

A

V

I

A

A

E

K

K

R

I

I

G

G

Y

Y

P

P

V

V

M
x
I

L

I

K
|
K

A

A

S

S

A

G

G

G

K

R

G

G

I
x
M

R

R

K

V

V

V

E

R

K

G

A

D

E

A

D

E

L

L

V

A

A

Q

A

S

F

I

E

S

T

M

A

T

S

R

S

A

E

E

A

A

K

K

A

A

N

A

F

F

G

S

N

N

G
x
D

A

M

M

V

Y

Y

L

M

E
|
E

R
x
K

V
x
Y

I

L

Y

E

P

N

A

P

R

R

H
|
H

I

V

E

E

V

I

Q

Q

I

V

L

L

A

A

D

D

Q

G

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Q

G

G

H

N

V

A

V

I

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Y

L

L

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A

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E

R

R

D

D

C

C

S

S

L

M

Q

Q

R

R

N
x
R

N

H

Q

Q

K

K

V

V

L

V

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E

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A

P

P

S

A

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A

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I

I

G

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K

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L

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N

R

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A

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Y

Y

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N

G

A

A

G

G

T
|
T

I

F

E
|
E

F

F

L
|
L

L

F

D

E

E

-

A

-

S

N

G

G

N

E

F

F

Y

Y

F

F

M

I

E
|
E

M

M

N
|
N

T

T

R
|
R

V

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

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E

F

M

V

I

S

T

G

G

V

V

D

D

I

L

V

I

K

K

E

E

Q

Q

I

L

R

R

I

I

A

A

G

G

Q

Q

P

P

L

L

P

S

F

I

K

K

Q

Q

E

E

D

E

I

V

V

H

L

V

R

R

G

G

H

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

N

D

P

P

A

N

F

-

N

T

F

F

A

L

P

P

S

S

P

P

G

G

K

K

I

I

T

T

N

R

L

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L

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P

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-

G

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F

G

G

L

V

R

R

V

W

D

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A

H

V

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Y

Y

P

A

G

G

Y

Y

T

T

I

V

P

P

Y

Y

D

D

S

S

M

M

I

I

A

G

K

K

I

L

I

I

V

C

H

Y

G

G

E

E

N

N

R

R

F

D

D

V

A

A

L

I

M

A

K

R

M

M

Q

K

R

N

A

A

L

L

Y

Q

E

E

L

L

D

I

I

I

E

D

G

G

V

I

Q

K

T

T

N

N

A

V

D

D

F

L

Q

Q

L

I

D

R

L

I

I

M

S

N

D

D

R

E

R

N

V

F

I

Q

A

H

G

G

D

G

Y

T

D

N

T

I

S

H

F

Y

L

L

active site: K116 (= K116), K159 (= K158), D196 (≠ G195), H209 (= H208), R235 (≠ N234), T274 (= T273), E276 (= E275), E288 (= E289), N290 (= N291), R292 (= R293), E296 (= E297), R338 (= R339)
binding 2-amino-n,n-bis(phenylmethyl)-1,3-oxazole-5-carboxamide: I157 (≠ M156), K159 (= K158), M169 (≠ I168), E201 (= E200), K202 (≠ R201), Y203 (≠ V202), L278 (= L277)

2v59A Crystal structure of biotin carboxylase from e.Coli in complex with potent inhibitor 2 (see paper)
53% identity, 97% coverage: 1:443/455 of query aligns to 1:440/445 of 2v59A

query
sites
2v59A

M

M

F

L

R

D

K

K

I

I

L

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

I

I

L

R

R

A

A

A

C

R

K

E

E

L

L

G

G

I

I

A

K

T

T

V

V

A

A

V

V

Y

H

S

S

T

S

A

A

D

D

K

R

E

D

A

L

L

K

H

H

T

V

L

L

A

A

D

D

E

E

A

T

I

V

C

C

I

I

G

G

P

P

G

A

K

P

A

S

T

V

E

K

S

S

Y

Y

L

L

N

N

I

I

N

P

A

A

I

I

L

I

S

S

A

A

V

E

L

I

T

T

E

G

A

A

E

V

A

A

I

I

H

H

P

P

G

G

F

Y

G

G

F

F

L

L

S

S

E

E

N

N

S

A

K

N

F

F

A

A

T

E

M

Q

C

V

D

E

E

R

V

S

G

G

I

F

K

I

F

F

I

I

G

G

P

P

S

K

G

A

A

E

V

T

M

I

D

R

T

L

M

M

G

G

D

D

K
|
K

I

V

N

S

A

A

R

I

E

A

Q

A

M

M

I

K

K

K

A

A

G

G

V

V

P

P

V

C

I

V

P

P

G

G

S

S

D

D

G

G

E

P

V

L

-

G

H

D

T

D

A

M

E

D

E

K

A

N

L

R

A

A

V

I

A

A

E

K

K

R

I

I

G

G

Y

Y

P

P

V

V

M

I

L

I

K
|
K

A

A

S

S

A

G

G

G

K

R

G

G

I

M

R

R

K

V

V

V

E

R

K

G

A

D

E

A

D

E

L

L

V

A

A

Q

A

S

F

I

E

S

T

M

A

T

S

R

S

A

E

E

A

A

K

K

A

A

N

A

F

F

G

S

N

N

G
x
D

A

M

M

V

Y

Y

L

M

E

E

R

K

V
x
Y

I
x
L

Y

E

P

N

A

P

R

R

H
|
H

I

V

E

E

V

I

Q

Q

I

V

L

L

A

A

D

D

Q

G

E

Q

G

G

H

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

N
x
R

N
x
H

Q

Q

K

K

V

V

L

V

E

E

S

A

P

P

S

A

I

P

A

G

I

I

G

T

K

P

T

E

L

L

R

R

N

R

E

Y

I

I

G

G

A

E

A

R

A

C

V

A

R

K

A

A

A

C

E

V

S

D

V

I

G

G

Y

Y

E

R

N

G

A

A

G

G