SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012991309.1 NCBI__GCF_000025605.1:WP_012991309.1 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)

7kctA Crystal structure of the hydrogenobacter thermophilus 2-oxoglutarate carboxylase (ogc) biotin carboxylase (bc) domain dimer in complex with adenosine 5'-diphosphate magnesium salt (mgadp), adenosine 5'- diphosphate (adp, and bicarbonate anion (hydrogen carbonate/hco3-) (see paper)
91% identity, 96% coverage: 1:451/472 of query aligns to 3:453/453 of 7kctA

query
sites
7kctA

M

M

F

F

K

K

V

V

L

L

V

V

A

A

N

N

R

R

G

G

E

E

I

I

A

A

C

C

R

R

I

V

I

I

R

R

A

A

C

C

K

K

E

E

L

L

G

G

I

I

R

Q

T

T

V

V

A

A

I

I

Y

Y

N

N

E

E

I

I

E

E

S

S

T

T

A

A

R

R

H

H

V

V

K

K

M

M

A

A

D

D

E

E

A

A

Y

Y

M

M

I

I

G

G

V

V

N

N

P

P

L

L

D

D

T

T

Y

Y

L

L

N

N

A

A

E

E

R

R

I

I

V

V

D

D

L

L

A

A

L

L

E

E

V

V

G

G

A

A

D

E

A

A

I

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

A

A

E

E

N

N

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E

H

H

F

F

A

A

R

R

L

L

C

C

E

E

R

K

G

G

I

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T

F

F

I

I

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G

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P

H

H

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W

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K

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V

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E

L

L

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M

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G

D
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D

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K

A

A

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R

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S

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K

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E

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M

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A

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G

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L
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K

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A

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G
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G

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I

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C

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R

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L

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L

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R

N

N

Y

Y

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E

N

N

A

A

Y

Y

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N

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E

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A

L

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K

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A

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F

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G

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R

G

G

D

D

L

L

E
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E

K

K

Y
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Y

I
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I

E

E

N

N

P

P

K

K

H
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H

I

I

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E

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F

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Q

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V

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L

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G

D

D

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K

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Y

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N

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V

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I

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L

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G

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E

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R

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D

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C

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Q

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N

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L

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V

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E

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M

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N

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H

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M

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D

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N

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G

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V

K

K

T

T

I

I

P

P

L

L

I

I

N

N

I

I

M

M

K

K

D

D

P

K

D

D

F

F

R

R

A

D

G

G

K

K

F

F

T

T

R

R

Y

Y

L

L

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E

active site: E276 (= E274), E289 (= E287), N291 (= N289), E297 (= E295), R339 (= R337)
binding adenosine-5'-diphosphate: K117 (= K115), L157 (= L155), K159 (= K157), G164 (= G162), G165 (= G163), G166 (= G164), I169 (= I167), E201 (= E199), Y203 (= Y201), I204 (= I202), H209 (= H207), Q233 (= Q231), Q237 (= Q235), K238 (= K236), I278 (= I276), E289 (= E287), R293 (= R291), Q295 (= Q293), V296 (= V294), E297 (= E295), R339 (= R337)
binding bicarbonate ion: D116 (= D114), R119 (= R117)
binding magnesium ion: E276 (= E274), E289 (= E287)

2vpqB Crystal structure of biotin carboxylase from s. Aureus complexed with amppnp (see paper)
56% identity, 94% coverage: 3:448/472 of query aligns to 1:448/448 of 2vpqB

query
sites
2vpqB

K

K

V

V

L

L

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

C

V

R

R

I

I

R

R

A

A

C

C

K

R

E

D

L

L

G

G

I

I

R

Q

T

T

V

V

A

A

I

I

Y

Y

N

S

E

E

I

G

E

D

S

K

T

D

A

A

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L

H

H

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K

Q

M

I

A

A

D

D

E

E

A

A

Y

Y

M

C

I

V

G

G

V

P

N

T

-

L

P

S

L

K

D

D

T

S

Y

Y

L

L

N

N

A

I

E

P

R

N

I

I

V

L

D

S

L

I

A

A

L

T

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S

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T

G

G

A

C

D

D

A

G

I

V

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

A

A

E

E

N

N

E

A

H

D

F

F

A

A

R

E

L

L

C

C

E

E

E

A

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C

G

Q

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F

I

I

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G

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P

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L

K

M

M

G

G

D

I

K
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K

A

D

R
x
V

S

A

K

K

E

A

V

E

V

M

K

I

K

K

A

A

G

N

L

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G

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S

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D

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G

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D

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A

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K

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G

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Y

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x
I

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K

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A

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G

G

G
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G

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G

G
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I

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F

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N

G

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G

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L

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Y

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M

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K

Y
x
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I
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H
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H

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D

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A

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G

G

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K

D

T

T

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I

P

P

L

F

L

H

I

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N

K

I

L

M

L

K

N

D

N

P

D

D

I

F

F

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R

A

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G

G

K

K

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F

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D

active site: V116 (≠ R117), K156 (= K157), H206 (= H207), R232 (= R233), T271 (= T272), E273 (= E274), E287 (= E287), N289 (= N289), R291 (= R291), E295 (= E295), R337 (= R337)
binding phosphoaminophosphonic acid-adenylate ester: K114 (= K115), I154 (≠ L155), K156 (= K157), G161 (= G162), G163 (= G164), I166 (= I167), F200 (≠ Y201), I201 (= I202), E273 (= E274), I275 (= I276), M286 (≠ I286), E287 (= E287)
binding magnesium ion: E273 (= E274), E287 (= E287)

A0A0H3JRU9 Pyruvate carboxylase; EC 6.4.1.1 from Staphylococcus aureus (strain Mu50 / ATCC 700699) (see 2 papers)
49% identity, 96% coverage: 3:455/472 of query aligns to 5:465/1150 of A0A0H3JRU9

query
sites
A0A0H3JRU9

K

K

V

L

L

L

V

V

A

A

N

N

R

R

G

G

E

E

I

I

A

A

C

I

R

R

I

I

I

F

R
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R

A

A

C

A

K

A

E

E

L

L

G

D

I

I

R

S

T

T

V

V

A

A

I

I

Y

Y

N

S

E

N

I

E

E

D

S

K

T

S

A

S

R

L

H

H

V

R

K

Y

M

K

A

A

D

D

E

E

A

S

Y

Y

M

L

I

V

G

G

-

S

-

D

V

L

N

G

P

P

L

A

D

E

T

S

Y

Y

L

L

N

N

A

I

E

E

R

R

I

I

V

I

D

D

L

V

A

A

L

K

E

Q

V

A

G

N

A

V

D

D

A

A

I

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

A

S

E

E

N

N

E

E

H

Q

F

F

A

A

R

R

L

R

C

C

E

A

E

E

R

E

G

G

I

I

T

K

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F

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I

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G

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P

H

H

W

L

K

E

V

H

I

L

E

D

L

M

M

F

G

G

D

D

K
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K

A

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R

K

S

A

K

R

E

T

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T

V

A

K

I

K

K

A

A

G

D

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L

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P

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G

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D

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R

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I

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V

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E

E

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L

L

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Y

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A

A

Y

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N

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E

A

A

L

E

K

K

A

S

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F

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E

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L

Y

L

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K

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Y

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K

H
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H

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E

F

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Q

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G

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D

K

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Y

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H

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L

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F

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E

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D

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G

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T

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E

F

F

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S

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T

E

E

D

D

P

P

K

L

K

N

N

D

F

F

A

M

P

P

S

D

I

T

G

G

T

T

I

I

E

I

R

A

Y

Y

Y

R

V

S

P

S

G

G

F

F

G

G

I

V

R

R

V

L

E

D

H

A

A

G

A

D

S

G

-

F

R

Q

G

G

Y

A

E

E

V

I

T

S

P

P

Y

Y

D

D

S

S

M

L

I

L

A

V

K

K

L

L

I

S

V

T

W

H

G

A

P

I

T

S

W

F

E

K

V

Q

A

A

V

E

D

E

R
x
K

M

M

R

V

A

R

A

S

L

L

E

R

T

E

Y

M

E

R

I

I

T

R

G

G

V

V

K

K

T

T

T

N

I

I

P

P

L

F

L

L

I

I

N

N

I

V

M

M

K

K

D

N

P

K

D

K

F

F

R

T

A

S

G

G

K

D

F

Y

T

T

R

K

Y

F

L

I

E

E

H

T

P

P

H

E

L

L

F

F

D

D

Y

I

P

Q

E

P

H

S

R

L

D

D

K

R

R21 (= R19) mutation to A: Complete loss of catalytic activity.
K119 (= K115) binding ATP
K161 (= K157) binding ATP
H211 (= H207) binding ATP
E278 (= E274) binding ATP
K411 (≠ R401) mutation to A: Complete loss of catalytic activity.

Sites not aligning to the query:

541:545 binding substrate
542 binding Mn(2+)
580 A→T: Complete loss of catalytic activity.
614 R→A: Complete loss of catalytic activity.
621 Y→A: Complete loss of catalytic activity.
712 binding Mn(2+)
741 binding Mn(2+)
743 binding Mn(2+)
838 Q→A: About 2.5-fold loss of catalytic activity.
876 T→A: Complete loss of catalytic activity.
879 S→A: About 2-fold loss of catalytic activity.
880 K→T: Complete loss of catalytic activity.

2vr1A Crystal structure of biotin carboxylase from e. Coli in complex with atp analog, adpcf2p. (see paper)
53% identity, 94% coverage: 1:442/472 of query aligns to 1:440/444 of 2vr1A

query
sites
2vr1A

M

M

F

L

K

D

K

K

V

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

C

L

R

R

I

I

I

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

I

V

Y

H

N

S

E

S

I

A

E

D

S

R

T

D

A

L

R

K

H

H

V

V

K

L

M

L

A

A

D

D

E

E

A

T

Y

V

M

C

I

I

G

G

V

P

N

A

P

P

-

S

L

V

D

K

T

S

Y

Y

L

L

N

N

A

I

E

P

R

A

I

I

V

I

D

S

L

A

A

A

L

E

E

I

V

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

A

S

E

E

N

N

E

A

H

N

F

F

A

A

R

E

L

Q

C

V

E

E

E

R

R

S

G

G

I

F

T

I

F

F

I

I

G

G

P

P

H

K

W

A

K

E

V

T

I

I

E

R

L

L

M

M

G

G

D

D

K
|
K

A

V

R

S

S

A

K

I

E

A

V

A

V

M

K

K

A

A

G

G

L

V

P

P

T

C

V

V

P

P

G

G

S

S

D

D

G

G

V

P

L

L

K

G

D

D

E

D

Q

M

E

D

A

K

-

N

K

R

Q

A

I

I

A

A

R

K

E

R

V

I

G

G

Y

Y

P

P

V

V

L

I

K
|
K

A

A

S

S

A

-

G

-

G

G

R
|
R

G

G

I
x
M

R

R

I

V

C

V

R

R

N

G

E

D

E

A

E

E

L

L

L

A

R

Q

N

S

Y

I

E

S

N

M

A

T

Y

R

N

A

E

E

A

A

L

K

K

A

A

A

F

F

G

S

R

N

G
x
D

D

M

L

V

L

Y

L

M

E

E

K

K

Y
|
Y

I
x
L

E

E

N

N

P

P

K

R

H
|
H

I

V

E

E

F

I

Q

Q

V

V

L

L

G

A

D

D

K

G

Y

Q

G

G

H

N

V

A

I

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

I

M

Q

Q

R

R

R
|
R

N

H

Q

Q

K

K

L

V

V

V

E

E

I

E

A

A

P

P

S

A

L

P

L

G

L

I

T

T

P

P

E

E

K

L

R

R

E

R

Y

Y

Y

I

G

G

E

E

L

R

V

C

V

A

K

K

A

A

A

C

K

V

E

D

I

I

G

G

Y

Y

Y

R

N

G

A

A

G

G

T
|
T

M

F

E
|
E

F

F

I
x
L

A

F

D

-

E

E

E

N

G

G

N

E

L

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

I

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

M

M

V

I

T

T

G

G

I

V

D

D

I

L

V

I

K

K

W

E

Q

Q

I

L

R

R

I

I

A

A

G

G

E

Q

P

P

L

L

R

S

Y

I

K

K

Q

Q

E

E

D

E

I

V

K

H

F

V

N

R

G

G

Y

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

K

-

K

N

N

T

F

F

A

L

P

P

S

S

I

P

G

G

T

K

I

I

E

T

R

R

Y

F

Y

H

V

A

P

P

G

G

F

F

G

G

I

V

R

R

V

W

E

E

H

S

A

H

A

I

S

Y

R

A

G

G

Y

Y

E

T

V

V

T

P

P

P

Y

Y

D

D

S

S

M

M

I

I

A

G

K

K

L

L

I

I

V

C

W

Y

G

G

P

E

T

N

W

R

E

D

V

V

A

A

V

I

D

A

R

R

M

M

R

K

A

N

A

A

L

L

E

Q

T

E

Y

L

E

I

I

I

T

D

G

G

V

I

K

K

T

T

T

N

I

V

P

D

L

L

L

Q

I

I

N

R

I

I

M

M

K

N

D

D

P

E

D

N

F

F

R

Q

A

H

G

G

K

G

F

T

T

N

T
x
I

R

H

Y

Y

L

L

E

E

E

K

active site: K116 (= K115), K159 (= K157), D194 (≠ G194), H207 (= H207), R233 (= R233), T272 (= T272), E274 (= E274), E286 (= E287), N288 (= N289), R290 (= R291), E294 (= E295), R336 (= R337)
binding phosphodifluoromethylphosphonic acid-adenylate ester: K159 (= K157), R165 (= R165), M167 (≠ I167), Y201 (= Y201), L202 (≠ I202), E274 (= E274), L276 (≠ I276), E286 (= E287), N288 (= N289), I435 (≠ T437)

4mv4A Crystal structure of biotin carboxylase from haemophilus influenzae in complex with amppcp and mg2 (see paper)
53% identity, 94% coverage: 1:442/472 of query aligns to 1:439/442 of 4mv4A

query
sites
4mv4A

M

M

F

L

K

E

K

K

V

V

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

C

L

R

R

I

I

I

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

I

V

Y

H

N

S

E

T

I

A

E

D

S

R

T

D

A

L

R

K

H

H

V

V

K

L

M

L

A

A

D

D

E

E

A

T

Y

I

M

C

I

I

G

G

V

P

N

A

P

P

-

S

L

A

D

K

T

S

Y

Y

L

L

N

N

A

I

E

P

R

A

I

I

V

I

D

A

L

A

A

A

L

E

E

V

V

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

A

S

E

E

N

N

E

A

H

D

F

F

A

A

R

E

L

Q

C

V

E

E

E

R

R

S

G

G

I

F

T

T

F

F

I

I

G

G

P

P

H

T

W

A

K

D

V

V

I

I

E

R

L

L

M

M

G

G

D

D

K
|
K

A

V

R

S

S

A

K

I

E

K

V

A

V

M

K

K

A

A

G

G

L

V

P

P

T

C

V

V

P

P

G

G

S

S

D

D

G

G

-

P

V

V

L

S

K

N

D

D

E

I

Q

A

E

K

A

N

K

K

Q

E

I

I

A

A

R

K

E

R

V

I

G

G

Y

Y

P

P

V

I

L

I

K
|
K

A

A

S

S

A

G

G

G

G
|
G

G

G

G

-

R

-

G

-

I
x
M

R

R

I

V

C

V

R

R

N

S

E

E

E

D

E

A

L

L

L

E

R

E

N

S

Y

I

E

A

N

M

A

T

Y

K

N

A

E

E

A

A

L

K

K

A

A

A

F

F

G

N

R

N

G
x
D

D

M

L

V

L

Y

L

M

E
|
E

K

K

Y
|
Y

I
x
L

E

E

N

N

P

P

K

R

H
|
H

I

V

E

E

F

I

Q

Q

V

V

L

L

G

A

D

D

K

T

Y

H

G

G

H

N

V

A

I

V

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

I

M

Q

Q

R

R

R
|
R

N
x
H

Q

Q

K

K

L

V

V

V

E

E

I

E

A

A

P

P

S

A

L

P

L

G

L

I

T

T

P

E

E

E

K

V

R

R

E

R

Y

D

Y

I

G

G

E

S

L

R

V

C

V

A

K

N

A

A

A

C

K

V

E

E

I

I

G

G

Y

Y

Y

R

N

G

A

A

G

G

T
|
T

M

F

E
|
E

F

F

I
x
L

A

Y

D

-

E

E

E

N

G

G

N

E

L

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

I

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

M

M

V

I

T

T

G

G

I

V

D

D

I

L

V

V

K

K

W

E

Q

Q

I

L

R

R

I

I

A

A

G

G

E

L

P

P

L

I

R

S

Y

F

K

K

Q

Q

E

E

D

D

I

I

K

K

F

V

N

K

G

G

Y

H

A

A

I

M

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

K

-

K

K

N

T

F

F

A

L

P

P

S

S

I

P

G

G

T

K

I

V

E

N

R

H

Y

L

Y

H

V

S

P

P

G

G

F

L

G

G

I

V

R

R

V

W

E

D

H

S

A

H

A

V

S

Y

R

G

G

G

Y

Y

E

T

V

V

T

P

P

P

Y

H

Y

Y

D

D

S

S

M

M

I

I

A

A

K

K

L

L

I

I

V

T

W

Y

G

G

P

D

T

T

W

R

E

E

V

V

A

A

V

I

D

R

R

R

M

M

R

Q

A

N

A

A

L

L

E

S

T

E

Y

T

E

I

I

I

T

D

G

G

V

I

K

K

T

T

T

N

I

I

P

P

L

L

L

H

I

E

N

L

I

I

M

L

K

E

D

D

P

E

D

N

F

F

R

Q

A

K

G

G

K

G

F

T

T

N

T

I

R

H

Y

Y

L

L

E

E

E

K

active site: K116 (= K115), K159 (= K157), D193 (≠ G194), H206 (= H207), R232 (= R233), T271 (= T272), E273 (= E274), E285 (= E287), N287 (= N289), R289 (= R291), E293 (= E295), R335 (= R337)
binding phosphomethylphosphonic acid adenylate ester: K159 (= K157), G164 (= G162), M166 (≠ I167), E198 (= E199), Y200 (= Y201), L201 (≠ I202), H233 (≠ N234), L275 (≠ I276), E285 (= E287)
binding magnesium ion: E273 (= E274), E285 (= E287)

7ybuA Human propionyl-coenzyme a carboxylase (see paper)
49% identity, 99% coverage: 2:470/472 of query aligns to 5:479/670 of 7ybuA

query
sites
7ybuA

F

F

K

D

K

K

V

I

L

L

V

V

A

A

N

N

R

R

G

G

E

E

I

I

A

A

C

C

R

R

I

V

I

I

R

R

A

T

C

C

K

K

E

K

L

M

G

G

I

I

R

K

T

T

V

V

A

A

I

I

Y

H

N

S

E

D

I

V

E

D

S

A

T

S

A

S

R

V

H

H

V

V

K

K

M

M

A

A

D

D

E

E

A

A

Y

V

M

C

I

V

G

G

V

P

N

A

P

P

L

T

D

S

-

K

T

S

Y

Y

L

L

N

N

A

M

E

D

R

A

I

I

V

M

D

E

L

A

A

I

L

K

E

K

V

T

G

R

A

A

D

Q

A

A

I

V

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

A

S

E

E

N

N

E

K

H

E

F

F

A

A

R

R

L

C

C

L

E

A

R

E

G

D

I

V

T

V

F

F

I

I

G

G

P

P

H

D

W

T

K

H

V

A

I

I

E

Q

L

A

M

M

G

G

D

D

K

K

A

I

R

E

S

S

K

K

E

L

V

L

V

A

K

K

A

A

G

E

L

V

P

N

T

T

V

I

P

P

G

G

S

F

D

D

G

G

V

V

L

V

K

K

D

D

E

A

Q

E

E

E

A

A

K

V

Q

R

I

I

A

A

R

R

E

E

V

I

G

G

Y

Y

P

P

V

V

L

M

L

I

K

K

A

A

S

S

A

A

G

G

R

K

G

G

I

M

R

R

I

I

C

A

R

W

N

D

E

D

E

E

L

T

L

R

R

D

N

G

Y

F

E

R

N

L

A

S

Y

S

N

Q

E

E

A

A

L

A

K

S

A

S

F

F

G

G

R

D

G

D

D

R

L

L

L

I

E

E

K

K

Y

F

I

I

E

D

N

N

P

P

K

R

H

H

I

I

E

E

F

I

Q

Q

V

V

L

L

G

G

D

D

K

K

Y

H

G

G

H

N

V

A

I

L

H

W

L

L

G

N

E

E

R

R

D

E

C

C

S

S

I

I

Q

Q

R

R

N

N

Q

Q

K

K

L

V

V

V

E

E

I

E

A

A

P

P

S

S

L

I

L

F

L

L

T

D

P

A

E

E

K

T

R

R

E

R

Y

A

Y

M

G

G

E

E

L

Q

V

A

V

V

K

A

A

L

A

A

K

R

E

A

I

V

G

K

Y

Y

Y

S

N

S

A

A

G

G

T

T

M

V

E

E

F

F

I

L

A

V

D

D

E

S

E

K

G

K

N

N

L

F

Y

Y

F

F

I

L

E

E

M

M

N

N

T

T

R

R

I

L

Q

Q

V

V

E

E

H

H

P

P

V

V

T

T

E

E

M

C

V

I

T

T

G

G

I

L

D

D

I

L

V

V

K

Q

W

E

Q

M

I

I

R

R

I

V

A

A

A

K

G

G

E

Y

P

P

L

L

R

R

Y

H

K

K

Q

Q

E

A

D

D

I

I

K

R

F

I

N

N

G

G

Y

W

A

A

I

V

E

E

C

C

R

R

I

V

N

Y

A

A

E

E

D

D

P

P

K

Y

K

K

N

S

F

F

A

G

-

L

P

P

S

S

I

I

G

G

T

R

I

L

E

S

R

Q

Y

Y

Y

Q

V

E

P

P

G

L

G

H

F

L

-

P

G

G

I

V

R

R

V

V

E

D

H

S

A

G

A

I

S

Q

R

P

G

G

Y

S

E

D

V

I

T

S

P

I

Y

Y

D

D

S

P

M

M

I

I

A

S

K

K

L

L

I

I

V

T

W

Y

G

G

P

S

T

D

W

R

E

T

V

E

A

A

V

L

D

K

R

R

M

M

R

A

A

D

A

A

L

L

E

D

T

N

Y

Y

E

V

I

I

T

R

G

G

V

V

K

T

T

H

T

N

I

I

P

A

L

L

I

R

N

E

I

V

M

I

K

I

D

N

P

S

D

R

F

F

R

V

A

K

G

G

K

D

F

I

T

S

T

T

R

K

Y

F

L

L

E

S

E

D

-

V

H

Y

P

P

H

D

L

G

F

F

D

K

-

G

-

H

Y

M

P

L

E

T

H

K

R

S

D

E

K

K

E

N

D

Q

F

L

V

L

A

A

F

I

I

A

S

S

A

S

A

L

I

F

T

V

A

A

Y

F

H

Q

Sites not aligning to the query:

binding 5-(hexahydro-2-oxo-1h-thieno[3,4-d]imidazol-6-yl)pentanal: 635, 636

8xl5A Structure of human propionyl-coa carboxylase in complex with propionyl-coa (pcc-pco)
49% identity, 99% coverage: 2:470/472 of query aligns to 3:477/668 of 8xl5A

query
sites
8xl5A

F

F

K

D

K

K

V

I

L

L

V

V

A

A

N

N

R

R

G

G

E

E

I

I

A

A

C

C

R

R

I

V

I

I

R

R

A

T

C

C

K

K

E

K

L

M

G

G

I

I

R

K

T

T

V

V

A

A

I

I

Y

H

N

S

E

D

I

V

E

D

S

A

T

S

A

S

R

V

H

H

V

V

K

K

M

M

A

A

D

D

E

E

A

A

Y

V

M

C

I

V

G

G

V

P

N

A

P

P

L

T

D

S

-

K

T

S

Y

Y

L

L

N

N

A

M

E

D

R

A

I

I

V

M

D

E

L

A

A

I

L

K

E

K

V

T

G

R

A

A

D

Q

A

A

I

V

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

A

S

E

E

N

N

E

K

H

E

F

F

A

A

R

R

L

C

C

L

E

A

R

E

G

D

I

V

T

V

F

F

I

I

G

G

P

P

H

D

W

T

K

H

V

A

I

I

E

Q

L

A

M

M

G

G

D

D

K

K

A

I

R

E

S

S

K

K

E

L

V

L

V

A

K

K

A

A

G

E

L

V

P

N

T

T

V

I

P

P

G

G

S

F

D

D

G

G

V

V

L

V

K

K

D

D

E

A

Q

E

E

E

A

A

K

V

Q

R

I

I

A

A

R

R

E

E

V

I

G

G

Y

Y

P

P

V

V

L

M

L

I

K

K

A

A

S

S

A

A

G

G

R

K

G

G

I

M

R

R

I

I

C

A

R

W

N

D

E

D

E

E

L

T

L

R

R

D

N

G

Y

F

E

R

N

L

A

S

Y

S

N

Q

E

E

A

A

L

A

K

S

A

S

F

F

G

G

R

D

G

D

D

R

L

L

L

I

E

E

K

K

Y

F

I

I

E

D

N

N

P

P

K

R

H

H

I

I

E

E

F

I

Q

Q

V

V

L

L

G

G

D

D

K

K

Y

H

G

G

H

N

V

A

I

L

H

W

L

L

G

N

E

E

R

R

D

E

C

C

S

S

I

I

Q

Q

R

R

N

N

Q

Q

K

K

L

V

V

V

E

E

I

E

A

A

P

P

S

S

L

I

L

F

L

L

T

D

P

A

E

E

K

T

R

R

E

R

Y

A

Y

M

G

G

E

E

L

Q

V

A

V

V

K

A

A

L

A

A

K

R

E

A

I

V

G

K

Y

Y

Y

S

N

S

A

A

G

G

T

T

M

V

E

E

F

F

I

L

A

V

D

D

E

S

E

K

G

K

N

N

L

F

Y

Y

F

F

I

L

E

E

M

M

N

N

T

T

R

R

I

L

Q

Q

V

V

E

E

H

H

P

P

V

V

T

T

E

E

M

C

V

I

T

T

G

G

I

L

D

D

I

L

V

V

K

Q

W

E

Q

M

I

I

R

R

I

V

A

A

A

K

G

G

E

Y

P

P

L

L

R

R

Y

H

K

K

Q

Q

E

A

D

D

I

I

K

R

F

I

N

N

G

G

Y

W

A

A

I

V

E

E

C

C

R

R

I

V

N

Y

A

A

E

E

D

D

P

P

K

Y

K

K

N

S

F

F

A

G

-

L

P

P

S

S

I

I

G

G

T

R

I

L

E

S

R

Q

Y

Y

Y

Q

V

E

P

P

G

L

G

H

F

L

-

P

G

G

I

V

R

R

V

V

E

D

H

S

A

G

A

I

S

Q

R

P

G

G

Y

S

E

D

V

I

T

S

P

I

Y

Y

D

D

S

P

M

M

I

I

A

S

K

K

L

L

I

I

V

T

W

Y

G

G

P

S

T

D

W

R

E

T

V

E

A

A

V

L

D

K

R

R

M

M

R

A

A

D

A

A

L

L

E

D

T

N

Y

Y

E

V

I

I

T

R

G

G

V

V

K

T

T

H

T

N

I

I

P

A

L

L

I

R

N

E

I

V

M

I

K

I

D

N

P

S

D

R

F

F

R

V

A

K

G

G

K

D

F

I

T

S

T

T

R

K

Y

F

L

L

E

S

E

D

-

V

H

Y

P

P

H

D

L

G

F

F

D

K

-

G

-

H

Y

M

P

L

E

T

H

K

R

S

D

E

K

K

E

N

D

Q

F

L

V

L

A

A

F

I

I

A

S

S

A

S

A

L

I

F

T

V

A

A

Y

F

H

Q

Sites not aligning to the query:

binding biotin: 633, 634

P05165 Propionyl-CoA carboxylase alpha chain, mitochondrial; PCCase subunit alpha; Propanoyl-CoA:carbon dioxide ligase subunit alpha; EC 6.4.1.3 from Homo sapiens (Human) (see 6 papers)
49% identity, 99% coverage: 2:470/472 of query aligns to 63:537/728 of P05165

query
sites
P05165

F

F

K

D

K

K

V

I

L

L

V

V

A

A

N

N

R

R

G

G

E

E

I

I

A
|
A

C

C

R
|
R

I

V

I

I

R

R

A

T

C

C

K

K

E

K

L

M

G

G

I

I

R

K

T

T

V

V

A

A

I

I

Y

H

N

S

E

D

I

V

E

D

S

A

T

S

A

S

R

V

H

H

V

V

K

K

M

M

A

A

D

D

E

E

A

A

Y

V

M

C

I

V

G

G

V

P

N

A

P

P

L

T

D

S

-

K

T

S

Y

Y

L

L

N

N

A

M

E

D

R

A

I

I

V

M

D

E

L

A

A

I

L

K

E

K

V

T

G

R

A

A

D

Q

A
|
A

I

V

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

A

S

E

E

N

N

E

K

H

E

F

F

A

A

R

R

L

C

C

L

E

A

R

E

G

D

I

V

T

V

F

F

I
|
I

G

G

P

P

H

D

W

T

K

H

V

A

I

I

E

Q

L

A

M

M

G

G

D

D

K

K

A

I

R

E

S

S

K

K

E

L

V

L

V

A

K

K

A

A

G

E

L

V

P

N

T

T

V

I

P

P

G

G

S

F

D

D

G
|
G

V

V

L

V

K

K

D

D

E

A

Q

E

E

E

A

A

K

V

Q

R

I

I

A

A

R

R

E

E

V

I

G

G

Y

Y

P

P

V

V

L

M

L

I

K

K

A

A

S

S

A

A

G

G

R

K

G

G

I
x
M

R

R

I

I

C

A

R

W

N

D

E

D

E

E

L

T

L

R

R

D

N

G

Y

F

E

R

N

L

A

S

Y

S

N

Q

E

E

A

A

L

A

K

S

A

S

F

F

G

G

R

D

G

D

D

R

L

L

L

I

E

E

K

K

Y

F

I

I

E

D

N

N

P

P

K

R

H

H

I

I

E

E

F

I

Q

Q

V

V

L

L

G

G

D

D

K

K

Y

H

G

G

H

N

V

A

I

L

H

W

L

L

G

N

E

E

R

R

D

E

C

C

S

S

I

I

Q

Q

R

R

N

N

Q
|
Q

K

K

L

V

V

V

E

E

I

E

A

A

P

P

S

S

L

I

L

F

L

L

T

D

P

A

E

E

K

T

R

R

E

R

Y

A

Y

M

G

G

E

E

L

Q

V

A

V

V

K

A

A

L

A

A

K

R

E

A

I

V

G

K

Y

Y

Y

S

N

S

A

A

G

G

T

T

M

V

E

E

F

F

I

L

A

V

D

D

E

S

E

K

G

K

N

N

L

F

Y

Y

F

F

I

L

E

E

M

M

N

N

T

T

R

R

I

L

Q

Q

V

V

E

E

H

H

P

P

V

V

T

T

E

E

M

C

V

I

T

T

G

G

I

L

D
|
D

I

L

V

V

K

Q

W

E

Q
x
M

I

I

R

R

I

V

A

A

A

K

G
|
G

E

Y

P

P

L

L

R

R

Y

H

K

K

Q

Q

E

A

D

D

I

I

K

R

F

I

N

N

G

G

Y

W

A

A

I

V

E

E

C
|
C

R
|
R

I

V

N

Y

A

A

E

E

D

D

P

P

K

Y

K

K

N

S

F

F

A

G

-

L

P

P

S

S

I

I

G

G

T

R

I

L

E

S

R

Q

Y

Y

Y

Q

V

E

P
|
P

G

L

G

H

F

L

-

P

G

G

I

V

R

R

V

V

E

D

H

S

A

G

A

I

S

Q

R

P

G

G

Y

S

E

D

V

I

T

S

P

I

Y

Y

D

D

S

P

M

M

I

I

A

S

K

K

L

L

I

I

V

T

W

Y

G

G

P

S

T

D

W

R

E

T

V

E

A

A

V

L

D

K

R

R

M

M

R

A

A

D

A

A

L

L

E

D

T

N

Y

Y

E

V

I

I

T

R

G

G

V

V

K

T

T

H

T

N

I

I

P

A

L

L

I

R

N

E

I

V

M

I

K

I

D

N

P

S

D

R

F

F

R

V

A

K

G

G

K

D

F

I

T

S

T

T

R

K

Y

F

L

L

E

S

E

D

-

V

H

Y

P

P

H

D

L

G

F

F

D

K

-

G

-

H

Y

M

P

L

E

T

H

K

R

S

D

E

K

K

E

N

D

Q

F

L

V

L

A

A

F

I

I

A

S

S

A

S

A
x
L

I

F

T

V

A

A

Y

F

H

Q

A75 (= A14) to P: in PA-1; dbSNP:rs794727479
R77 (= R16) to W: in PA-1; loss of function; dbSNP:rs141371306
A138 (= A76) to T: in PA-1; loss of function; dbSNP:rs202247814
I164 (= I102) to T: in PA-1; loss of function; dbSNP:rs202247815
G197 (= G135) to E: in PA-1
M229 (≠ I167) to K: in PA-1; dbSNP:rs375628794
Q297 (= Q235) to R: in PA-1; dbSNP:rs2063109875
D368 (= D306) to G: in PA-1
M373 (≠ Q311) to K: in PA-1; unstable protein; loss of function; dbSNP:rs121964958
G379 (= G317) to V: in PA-1; dbSNP:rs794727087
C398 (= C336) to R: in PA-1
R399 (= R337) to Q: in PA-1; dbSNP:rs1301904623
P423 (= P360) to L: in PA-1; dbSNP:rs1443858896
L532 (≠ A465) natural variant: Missing (in PA-1)

Sites not aligning to the query:

1:52 modified: transit peptide, Mitochondrion
551 V → F: in dbSNP:rs61749895
559 W → L: in PA-1; dbSNP:rs118169528
631 G → R: in PA-1; loss of function; dbSNP:rs796052018
668 G → R: in PA-1; loss of biotinylation; dbSNP:rs771438170
694 modified: N6-biotinyllysine; by HLCS
712 natural variant: Missing (in PA-1; loss of biotinylation)

3rupA Crystal structure of e.Coli biotin carboxylase in complex with two adp and two ca ions (see paper)
53% identity, 94% coverage: 1:442/472 of query aligns to 1:442/444 of 3rupA

query
sites
3rupA

M

M

F

L

K

D

K

K

V

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

C

L

R

R

I

I

I

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

I

V

Y

H

N

S

E

S

I

A

E

D

S

R

T

D

A

L

R

K

H

H

V

V

K

L

M

L

A

A

D

D

E

E

A

T

Y

V

M

C

I

I

G

G

V

P

N

A

P

P

-

S

L

V

D

K

T

S

Y

Y

L

L

N

N

A

I

E

P

R

A

I

I

V

I

D

S

L

A

A

A

L

E

E

I

V

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

A

S

E
|
E

N

N

E

A

H

N

F

F

A

A

R

E

L

Q

C

V

E

E

E

R

R

S

G

G

I

F

T

I

F

F

I

I

G

G

P

P

H

K

W

A

K

E

V

T

I

I

E

R

L

L

M

M

G

G

D

D

K
|
K

A

V

R

S

S

A

K

I

E

A

V

A

V

M

K

K

A

A

G

G

L

V

P

P

T

C

V

V

P

P

G

G

S

S

D

D

G

G

V

P

L

L

K

G

D

D

E

D

Q

M

E

D

A

K

-

N

K

R

Q

A

I

I

A

A

R

K

E

R

V

I

G

G

Y

Y

P

P

V

V

L

I

K
|
K

A

A

S

S

A

G

G

G

G
|
G

R
|
R

G

G

I
x
M

R

R

I

V

C

V

R

R

N

G

E

D

E

A

E

E

L

L

L

A

R

Q

N

S

Y

I

E

S

N

M

A

T

Y

R

N

A

E

E

A

A

L

K

K

A

A

A

F
|
F

G

S

R

N

G
x
D

D

M

L

V

L

Y

L

M

E
|
E

K
|
K

Y
|
Y

I
x
L

E

E

N

N

P

P

K

R

H
|
H

I

V

E

E

F

I

Q

Q

V

V

L

L

G

A

D

D

K

G

Y

Q

G

G

H

N

V

A

I

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

I

M

Q
|
Q

R

R

R
|
R

N
x
H

Q

Q

K
|
K

L

V

V

V

E

E

I

E

A

A

P

P

S

A

L

P

L

G

L

I

T

T

P

P

E

E

K

L

R

R

E

R

Y

Y

Y

I

G

G

E

E

L

R

V

C

V

A

K

K

A

A

A

C

K

V

E

D

I

I

G

G

Y

Y

Y

R

N

G

A

A

G

G

T
|
T

M

F

E
|
E

F

F

I
x
L

A

F

D

-

E

E

E

N

G

G

N

E

L

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

I

I

Q

Q

V
|
V

E
|
E

H

H

P

P

V

V

T

T

E

E

M

M

V

I

T

T

G

G

I

V

D

D

I

L

V

I

K

K

W

E

Q

Q

I

L

R

R

I

I

A

A

G

G

E

Q

P

P

L

L

R

S

Y

I

K

K

Q

Q

E

E

D

E

I

V

K

H

F

V

N

R

G

G

Y

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

K

-

K

N

N

T

F

F

A

L

P

P

S

S

I

P

G

G

T

K

I

I

E

T

R

R

Y

F

Y

H

V

A

P

P

G

G

F

F

G

G

I

V

R

R

V

W

E

E

H

S

A

H

A

I

S

Y

R

A

G

G

Y

Y

E

T

V

V

T

P

P

P

Y

Y

D
|
D

S

S

M

M

I

I

A

G

K

K

L

L

I

I

V

C

W

Y

G

G

P

E

T

N

W

R

E

D

V

V

A

A

V

I

D

A

R

R

M

M

R

K

A

N

A

A

L

L

E

Q

T

E

Y

L

E

I

I

I

T

D

G

G

V

I

K

K

T

T

T

N

I

V

P

D

L

L

L

Q

I

I

N

R

I

I

M

M

K

N

D

D

P

E

D

N

F

F

R

Q

A

H

G

G

K

G

F

T

T

N

T
x
I

R

H

Y

Y

L

L

E

E

E

K

active site: K116 (= K115), K159 (= K157), D196 (≠ G194), H209 (= H207), R235 (= R233), T274 (= T272), E276 (= E274), E288 (= E287), N290 (= N289), R292 (= R291), E296 (= E295), R338 (= R337)
binding adenosine-5'-diphosphate: Y82 (= Y81), G83 (= G82), K116 (= K115), K159 (= K157), G164 (= G162), G164 (= G162), G165 (= G163), G166 (= G164), R167 (= R165), M169 (≠ I167), F193 (= F191), E201 (= E199), K202 (= K200), Y203 (= Y201), L204 (≠ I202), H209 (= H207), Q233 (= Q231), H236 (≠ N234), K238 (= K236), L278 (≠ I276), E288 (= E287), R292 (= R291), V295 (= V294), E296 (= E295), R338 (= R337), D382 (= D382), I437 (≠ T437)
binding calcium ion: E87 (= E86), E276 (= E274), E288 (= E287), E288 (= E287), N290 (= N289)

3g8cA Crystal structure of biotin carboxylase in complex with biotin, bicarbonate, adp and mg ion (see paper)
53% identity, 94% coverage: 1:442/472 of query aligns to 1:442/444 of 3g8cA

query
sites
3g8cA

M

M

F

L

K

D

K

K

V

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

C

L

R

R

I

I

I

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

I

V

Y

H

N

S

E

S

I

A

E

D

S

R

T

D

A

L

R

K

H

H

V

V

K

L

M

L

A

A

D

D

E

E

A

T

Y

V

M

C

I

I

G

G

V

P

N

A

P

P

-

S

L

V

D

K

T

S

Y

Y

L

L

N

N

A

I

E

P

R

A

I

I

V

I

D

S

L

A

A

A

L

E

E

I

V

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

A

S

E

E

N

N

E

A

H

N

F

F

A

A

R

E

L

Q

C

V

E

E

E

R

R

S

G

G

I

F

T

I

F

F

I

I

G

G

P

P

H

K

W

A

K

E

V

T

I

I

E

R

L

L

M

M

G

G

D

D

K
|
K

A

V

R

S

S

A

K

I

E

A

V

A

V

M

K

K

A

A

G

G

L

V

P

P

T

C

V

V

P

P

G

G

S

S

D

D

G

G

V

P

L

L

K

G

D

D

E

D

Q

M

E

D

A

K

-

N

K

R

Q

A

I

I

A

A

R

K

E

R

V

I

G

G

Y

Y

P

P

V

V

L
x
I

L

I

K
|
K

A

A

S

S

A

G

G

G

G
|
G

G

G

R

R

G

G

I
x
M

R

R

I

V

C

V

R

R

N

G

E

D

E

A

E

E

L

L

L

A

R

Q

N

S

Y

I

E

S

N

M

A

T

Y

R

N

A

E

E

A

A

L

K

K

A

A

A

F

F

G

S

R

N

G
x
D

D

M

L

V

L

Y

L

M

E
|
E

K
|
K

Y
|
Y

I
x
L

E

E

N

N

P

P

K

R

H
|
H

I

V

E

E

F

I

Q

Q

V

V

L

L

G

A

D

D

K

G

Y

Q

G

G

H

N

V

A

I

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

I

M

Q
|
Q

R

R

R
|
R

N
x
H

Q

Q

K
|
K

L

V

V

V

E

E

I

E

A

A

P

P

S

A

L

P

L

G

L

I

T

T

P

P

E

E

K

L

R

R

E

R

Y

Y

Y

I

G

G

E

E

L

R

V

C

V

A

K

K

A

A

A

C

K

V

E

D

I

I

G

G

Y

Y

Y

R

N

G

A

A

G

G

T
|
T

M

F

E
|
E

F

F

I
x
L

A

F

D

-

E

E

E

N

G

G

N

E

L

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

I

I

Q
|
Q

V
|
V

E
|
E

H

H

P

P

V

V

T

T

E

E

M

M

V

I

T

T

G

G

I

V

D

D

I

L

V

I

K

K

W

E

Q

Q

I

L

R

R

I

I

A

A

G

G

E

Q

P

P

L

L

R

S

Y

I

K

K

Q

Q

E

E

D

E

I

V

K

H

F

V

N

R

G

G

Y

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

K

-

K

N

N

T

F

F

A

L

P

P

S

S

I

P

G

G

T

K

I

I

E

T

R

R

Y

F

Y

H

V

A

P

P

G

G

F

F

G

G

I

V

R

R

V

W

E

E

H

S

A

H

A

I

S

Y

R

A

G

G

Y

Y

E

T

V

V

T

P

P

P

Y

Y

D
|
D

S

S

M

M

I

I

A

G

K

K

L

L

I

I

V

C

W

Y

G

G

P

E

T

N

W

R

E

D

V

V

A

A

V

I

D

A

R

R

M

M

R

K

A

N

A

A

L

L

E

Q

T

E

Y

L

E

I

I

I

T

D

G

G

V

I

K

K

T

T

T

N

I

V

P

D

L

L

L

Q

I

I

N

R

I

I

M

M

K

N

D

D

P

E

D

N

F

F

R

Q

A

H

G

G

K

G

F

T

T

N

T
x
I

R

H

Y

Y

L

L

E

E

E

K

active site: K116 (= K115), K159 (= K157), D196 (≠ G194), H209 (= H207), R235 (= R233), T274 (= T272), E276 (= E274), E288 (= E287), N290 (= N289), R292 (= R291), E296 (= E295), R338 (= R337)
binding adenosine-5'-diphosphate: I157 (≠ L155), K159 (= K157), G164 (= G162), M169 (≠ I167), E201 (= E199), K202 (= K200), Y203 (= Y201), L204 (≠ I202), Q233 (= Q231), H236 (≠ N234), L278 (≠ I276), E288 (= E287), I437 (≠ T437)
binding bicarbonate ion: K238 (= K236), R292 (= R291), Q294 (= Q293), V295 (= V294), E296 (= E295)
binding biotin: Y82 (= Y81), F84 (= F83), R292 (= R291), V295 (= V294), R338 (= R337), D382 (= D382)
binding magnesium ion: E276 (= E274), E288 (= E287)

3jzfB Crystal structure of biotin carboxylase from e. Coli in complex with benzimidazoles series (see paper)
53% identity, 94% coverage: 1:442/472 of query aligns to 3:444/447 of 3jzfB

query
sites
3jzfB

M

M

F

L

K

D

K

K

V

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

C

L

R

R

I

I

I

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

I

V

Y

H

N

S

E

S

I

A

E

D

S

R

T

D

A

L

R

K

H

H

V

V

K

L

M

L

A

A

D

D

E

E

A

T

Y

V

M

C

I

I

G

G

V

P

N

A

P

P

-

S

L

V

D

K

T

S

Y

Y

L

L

N

N

A

I

E

P

R

A

I

I

V

I

D

S

L

A

A

A

L

E

E

I

V

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

A

S

E

E

N

N

E

A

H

N

F

F

A

A

R

E

L

Q

C

V

E

E

E

R

R

S

G

G

I

F

T

I

F

F

I

I

G

G

P

P

H

K

W

A

K

E

V

T

I

I

E

R

L

L

M

M

G

G

D

D

K
|
K

A

V

R

S

S

A

K

I

E

A

V

A

V

M

K

K

A

A

G

G

L

V

P

P

T

C

V

V

P

P

G

G

S

S

D

D

G

G

V

P

L

L

K

G

D

D

E

D

Q

M

E

D

A

K

-

N

K

R

Q

A

I

I

A

A

R

K

E

R

V

I

G

G

Y

Y

P

P

V

V

L

I

K
|
K

A
|
A

S

S

A

G

G

G

G
|
G

G

G

G
|
G

R
|
R

G
|
G

I
x
M

R

R

I

V

C

V

R

R

N

G

E

D

E

A

E

E

L

L

L

A

R

Q

N

S

Y

I

E

S

N

M

A

T

Y

R

N

A

E

E

A

A

L

K

K

A

A

A

F

F

G

S

R

N

G
x
D

D

M

L

V

L
x
Y

L

M

E
|
E

K
|
K

Y
|
Y

I

L

E

E

N

N

P

P

K

R

H
|
H

I

V

E

E

F

I

Q

Q

V

V

L

L

G

A

D

D

K

G

Y

Q

G

G

H

N

V

A

I

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

I

M

Q

Q

R

R

R
|
R

N
x
H

Q

Q

K

K

L

V

V

V

E

E

I

E

A

A

P

P

S

A

L

P

L

G

L

I

T

T

P

P

E

E

K

L

R

R

E

R

Y

Y

Y

I

G

G

E

E

L

R

V

C

V

A

K

K

A

A

A

C

K

V

E

D

I

I

G

G

Y

Y

Y

R

N

G

A

A

G

G

T
|
T

M

F

E
|
E

F

F

I
x
L

A

F

D

-

E

E

E

N

G

G

N

E

L

F

Y

Y

F

F

I
|
I

E
|
E

M

M

N
|
N

T

T

R
|
R

I

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

M

M

V

I

T

T

G

G

I

V

D

D

I

L

V

I

K

K

W

E

Q

Q

I

L

R

R

I

I

A

A

G

G

E

Q

P

P

L

L

R

S

Y

I

K

K

Q

Q

E

E

D

E

I

V

K

H

F

V

N

R

G

G

Y

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

K

-

K

N

N

T

F

F

A

L

P

P

S

S

I

P

G

G

T

K

I

I

E

T

R

R

Y

F

Y

H

V

A

P

P

G

G

F

F

G

G

I

V

R

R

V

W

E

E

H

S

A

H

A

I

S

Y

R

A

G

G

Y

Y

E

T

V

V

T

P

P

P

Y

Y

D

D

S

S

M

M

I

I

A

G

K

K

L

L

I

I

V

C

W

Y

G

G

P

E

T

N

W

R

E

D

V

V

A

A

V

I

D

A

R

R

M

M

R

K

A

N

A

A

L

L

E

Q

T

E

Y

L

E

I

I

I

T

D

G

G

V

I

K

K

T

T

T

N

I

V

P

D

L

L

L

Q

I

I

N

R

I

I

M

M

K

N

D

D

P

E

D

N

F

F

R

Q

A

H

G

G

K

G

F

T

T

N

T

I

R

H

Y

Y

L

L

E

E

E

K

active site: K118 (= K115), K161 (= K157), D198 (≠ G194), H211 (= H207), R237 (= R233), T276 (= T272), E278 (= E274), E290 (= E287), N292 (= N289), R294 (= R291), E298 (= E295), R340 (= R337)
binding 2-[(2-chlorobenzyl)amino]-1-(cyclohexylmethyl)-1H-benzimidazole-5-carboxamide: K118 (= K115), K161 (= K157), A162 (= A158), G166 (= G162), G168 (= G164), R169 (= R165), G170 (= G166), M171 (≠ I167), Y201 (≠ L197), E203 (= E199), K204 (= K200), Y205 (= Y201), H211 (= H207), H238 (≠ N234), L280 (≠ I276), I289 (= I286), E290 (= E287)

8uz2C E. Coli acetyl-coa carboxylase, narrow helical local reconstruction, 3.18 angstrom
53% identity, 94% coverage: 1:442/472 of query aligns to 1:442/446 of 8uz2C

query
sites
8uz2C

M

M

F

L

K

D

K

K

V

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

C

L

R

R

I

I

I

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

I

V

Y

H

N

S

E

S

I

A

E

D

S

R

T

D

A

L

R

K

H

H

V

V

K

L

M

L

A

A

D

D

E

E

A

T

Y

V

M

C

I

I

G

G

V

P

N

A

P

P

-

S

L

V

D

K

T

S

Y

Y

L

L

N

N

A

I

E

P

R

A

I

I

V

I

D

S

L

A

A

A

L

E

E

I

V

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

A

S

E

E

N

N

E

A

H

N

F

F

A

A

R

E

L

Q

C

V

E

E

E

R

R

S

G

G

I

F

T

I

F

F

I

I

G

G

P

P

H

K

W

A

K

E

V

T

I

I

E

R

L

L

M

M

G

G

D

D

K
|
K

A

V

R

S

S

A

K

I

E

A

V

A

V

M

K

K

A

A

G

G

L

V

P

P

T

C

V

V

P

P

G

G

S

S

D

D

G

G

V

P

L

L

K

G

D

D

E

D

Q

M

E

D

A

K

-

N

K

R

Q

A

I

I

A

A

R

K

E

R

V

I

G

G

Y

Y

P

P

V

V

L

I

K
|
K

A

A

S

S

A

G

G

G

G
|
G

R

R

G

G

I
x
M

R

R

I

V

C

V

R

R

N

G

E

D

E

A

E

E

L

L

L

A

R

Q

N

S

Y

I

E

S

N

M

A

T

Y

R

N

A

E

E

A

A

L

K

K

A

A

A

F

F

G

S

R

N

G

D

D

M

L

V

L

Y

L

M

E

E

K

K

Y

Y

I

L

E

E

N

N

P

P

K

R

H
|
H

I

V

E

E

F

I

Q

Q

V

V

L

L

G

A

D

D

K

G

Y

Q

G

G

H

N

V

A

I

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

I

M

Q
|
Q

R

R

N
x
H

Q

Q

K

K

L

V

V

V

E

E

I

E

A

A

P

P

S

A

L

P

L

G

L

I

T

T

P

P

E

E

K

L

R

R

E

R

Y

Y

Y

I

G

G

E

E

L

R

V

C

V

A

K

K

A

A

A

C

K

V

E

D

I

I

G

G

Y

Y

Y

R

N

G

A

A

G

G

T

T

M

F

E
|
E

F

F

I
x
L

A

F

D

-

E

E

E

N

G

G

N

E

L

F

Y

Y

F

F

I

I

E
|
E

M

M

N

N

T

T

R

R

I

I

Q

Q

V

V

E

E

H

H

P

P

V

V

T

T

E

E

M

M

V

I

T

T

G

G

I

V

D

D

I

L

V

I

K

K

W

E

Q

Q

I

L

R

R

I

I

A

A

G

G

E

Q

P

P

L

L

R

S

Y

I

K

K

Q

Q

E

E

D

E

I

V

K

H

F

V

N

R

G

G

Y

H

A

A

I

V

E

E

C

C

R

R

I

I

N

N

A

A

E

E

D

D

P

P

K

-

K

N

N

T

F

F

A

L

P

P

S

S

I

P

G

G

T

K

I

I

E

T

R
|
R

Y

F

Y

H

V

A

P

P

G

G

F

F

G

G

I

V

R

R

V

W

E

E

H

S

A

H

A

I

S

Y

R

A

G

G

Y

Y

E

T

V

V

T

P

P

P

Y

Y

D

D

S

S

M

M

I

I

A

G

K

K

L

L

I

I

V

C

W

Y

G

G

P

E

T

N

W

R

E

D

V

V

A

A

V

I

D

A

R

R

M

M

R

K

A

N

A

A

L

L

E

Q

T

E

Y

L

E
x
I

I

I

T

D

G

G

V

I

K

K

T

T

T

N

I

V

P

D

L

L

L

Q

I

I

N

R

I

I

M

M

K

N

D

D

P

E

D

N

F

F

R

Q

A

H

G

G

K

G

F

T

T

N

T
x
I

R

H

Y

Y

L

L

E

E

E

K

binding adenosine-5'-diphosphate: K116 (= K115), K159 (= K157), G164 (= G162), G165 (= G163), G166 (= G164), M169 (≠ I167), H209 (= H207), Q233 (= Q231), H236 (≠ N234), L278 (≠ I276), E288 (= E287), I437 (≠ T437)
binding magnesium ion: E276 (= E274), E288 (= E287)
binding : R356 (= R356), I410 (≠ E410)

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)
53% identity, 94% coverage: 1:442/472 of query aligns to 1:442/446 of 6oi9A

query
sites
6oi9A

M

M

F

L

K

D

K

K

V

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

C

L

R

R

I

I

I

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

I

V

Y

H

N

S

E

S

I

A

E

D

S

R

T

D

A

L

R

K

H

H

V

V

K

L

M

L

A

A

D

D

E

E

A

T

Y

V

M

C

I

I

G

G

V

P

N

A

P

P

-

S

L

V

D

K

T

S

Y

Y

L

L

N

N

A

I

E

P

R

A

I

I

V

I

D

S

L

A

A

A

L

E

E

I

V

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

A

S

E

E

N

N

E

A

H

N

F

F

A

A

R

E

L

Q

C

V

E

E

E

R

R

S

G

G

I

F

T

I

F

F

I

I

G

G

P

P

H

K

W

A

K

E

V

T

I

I

E

R

L

L

M

M

G

G

D

D

K

K

A

V

R

S

S

A

K

I

E

A

V

A

V

M

K

K

A

A

G

G

L

V

P

P

T

C

V

V

P

P

G

G

S

S

D

D

G

G

V

P

L

L

K

G

D

D

E

D

Q

M

E

D

A

K

-

N

K

R

Q

A

I

I

A

A

R

K

E

R

V

I

G

G

Y

Y

P

P

V

V

L

I

K
|
K

A

A

S

S

A

G

G

G

R

R

G

G

I
x
M

R

R

I

V

C

V

R

R

N

G

E

D

E

A

E

E

L

L

L

A

R

Q

N

S

Y

I

E

S

N

M

A

T

Y

R

N

A

E

E

A

A

L

K

K

A

A

A

F

F

G

S

R

N

G

D

D

M

L

V

L

Y

L

M

E
|
E

K

K

Y
|
Y

I
x
L

E

E

N

N

P

P

K

R

H
|
H

I

V

E

E

F

I

Q

Q

V

V

L

L

G

A

D

D

K

G

Y

Q

G

G

H

N

V

A

I

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

I

M

Q
|
Q

R

R

N
x
H

Q

Q

K

K

L

V

V

V

E

E

I

E

A

A

P

P

S

A

L

P

L

G

L

I

T

T

P

P

E

E

K

L

R

R

E

R

Y

Y

Y

I

G

G

E

E

L

R

V

C

V

A

K

K

A

A

A

C

K

V

E

D

I

I

G

G

Y

Y

Y

R

N

G

A

A

G

G

T

T

M

F

E
|
E

F

F

I
x
L

A

F

D

-

E

E

E

N

G

G

N

E

L

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R

R

I

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

M

M

V

I

T

T

G

G

I

V

D

D

I

L

V

I

K

K

W

E

Q

Q

I

L

R

R

I

I

A

A

G

G

E

Q

P

P

L

L

R

S

Y

I

K

K

Q

Q

E

E

D

E

I

V

K

H

F

V

N

R

G

G

Y

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

K

-

K

N

N

T

F

F

A

L

P

P

S

S

I

P

G

G

T

K

I

I

E

T

R

R

Y

F

Y

H

V

A

P

P

G

G

F

F

G

G

I

V

R

R

V

W

E

E

H

S

A

H

A

I

S

Y

R

A

G

G

Y

Y

E

T

V

V

T

P

P

P

Y

Y

D

D

S

S

M

M

I

I

A

G

K

K

L

L

I

I

V

C

W

Y

G

G

P

E

T

N

W

R

E

D

V

V

A

A

V

I

D

A

R

R

M

M

R

K

A

N

A

A

L

L

E

Q

T

E

Y

L

E

I

I

I

T

D

G

G

V

I

K

K

T

T

T

N

I

V

P

D

L

L

L

Q

I

I

N

R

I

I

M

M

K

N

D

D

P

E

D

N

F

F

R

Q

A

H

G

G

K

G

F

T

T

N

T
x
I

R

H

Y

Y

L

L

E

E

E

K

active site: E276 (= E274), 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 (= K157), M169 (≠ I167), E201 (= E199), Y203 (= Y201), L204 (≠ I202), H209 (= H207), Q233 (= Q231), H236 (≠ N234), E276 (= E274), L278 (≠ I276), E288 (= E287), I437 (≠ T437)

2w71A Crystal structure of biotin carboxylase from e. Coli in complex with the imidazole-pyrimidine inhibitor (see paper)
53% identity, 94% coverage: 1:442/472 of query aligns to 1:442/446 of 2w71A

query
sites
2w71A

M

M

F

L

K

D

K

K

V

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

C

L

R

R

I

I

I

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

I

V

Y

H

N

S

E

S

I

A

E

D

S

R

T

D

A

L

R

K

H

H

V

V

K

L

M

L

A

A

D

D

E

E

A

T

Y

V

M

C

I

I

G

G

V

P

N

A

P

P

-

S

L

V

D

K

T

S

Y

Y

L

L

N

N

A

I

E

P

R

A

I

I

V

I

D

S

L

A

A

A

L

E

E

I

V

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

A

S

E

E

N

N

E

A

H

N

F

F

A

A

R

E

L

Q

C

V

E

E

E

R

R

S

G

G

I

F

T

I

F

F

I

I

G

G

P

P

H

K

W

A

K

E

V

T

I

I

E

R

L

L

M

M

G

G

D

D

K
|
K

A

V

R

S

S

A

K

I

E

A

V

A

V

M

K

K

A

A

G

G

L

V

P

P

T

C

V

V

P

P

G

G

S

S

D

D

G

G

V

P

L

L

K

G

D

D

E

D

Q

M

E

D

A

K

-

N

K

R

Q

A

I

I

A

A

R

K

E

R

V

I

G

G

Y

Y

P

P

V

V

L

I

K
|
K

A

A

S

S

A

G

G

G

R

R

G

G

I

M

R

R

I

V

C

V

R

R

N

G

E

D

E

A

E

E

L

L

L

A

R

Q

N

S

Y

I

E

S

N

M

A

T

Y

R

N

A

E

E

A

A

L

K

K

A

A

A

F

F

G

S

R

N

G
x
D

D

M

L

V

L

Y

L

M

E

E

K

K

Y
|
Y

I
x
L

E

E

N

N

P

P

K

R

H
|
H

I

V

E

E

F

I

Q

Q

V

V

L

L

G

A

D

D

K

G

Y

Q

G

G

H

N

V

A

I

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

I

M

Q
|
Q

R

R

R
|
R

N
x
H

Q

Q

K

K

L

V

V

V

E

E

I

E

A

A

P

P

S

A

L

P

L

G

L

I

T

T

P

P

E

E

K

L

R

R

E

R

Y

Y

Y

I

G

G

E

E

L

R

V

C

V

A

K

K

A

A

A

C

K

V

E

D

I

I

G

G

Y

Y

Y

R

N

G

A

A

G

G

T
|
T

M

F

E
|
E

F

F

I
x
L

A

F

D

-

E

E

E

N

G

G

N

E

L

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

I

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

M

M

V

I

T

T

G

G

I

V

D

D

I

L

V

I

K

K

W

E

Q

Q

I

L

R

R

I

I

A

A

G

G

E

Q

P

P

L

L

R

S

Y

I

K

K

Q

Q

E

E

D

E

I

V

K

H

F

V

N

R

G

G

Y

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

K

-

K

N

N

T

F

F

A

L

P

P

S

S

I

P

G

G

T

K

I

I

E

T

R

R

Y

F

Y

H

V

A

P

P

G

G

F

F

G

G

I

V

R

R

V

W

E

E

H

S

A

H

A

I

S

Y

R

A

G

G

Y

Y

E

T

V

V

T

P

P

P

Y

Y

D

D

S

S

M

M

I

I

A

G

K

K

L

L

I

I

V

C

W

Y

G

G

P

E

T

N

W

R

E

D

V

V

A

A

V

I

D

A

R

R

M

M

R

K

A

N

A

A

L

L

E

Q

T

E

Y

L

E

I

I

I

T

D

G

G

V

I

K

K

T

T

T

N

I

V

P

D

L

L

L

Q

I

I

N

R

I

I

M

M

K

N

D

D

P

E

D

N

F

F

R

Q

A

H

G

G

K

G

F

T

T

N

T
x
I

R

H

Y

Y

L

L

E

E

E

K

active site: K116 (= K115), K159 (= K157), D196 (≠ G194), H209 (= H207), R235 (= R233), T274 (= T272), E276 (= E274), 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 (= K157), Y203 (= Y201), L204 (≠ I202), H209 (= H207), Q233 (= Q231), H236 (≠ N234), L278 (≠ I276), I437 (≠ T437)

2w70A Crystal structure of biotin carboxylase from e. Coli in complex with the amino-thiazole-pyrimidine fragment (see paper)
53% identity, 94% coverage: 1:442/472 of query aligns to 1:442/446 of 2w70A

query
sites
2w70A

M

M

F

L

K

D

K

K

V

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

C

L

R

R

I

I

I

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

I

V

Y

H

N

S

E

S

I

A

E

D

S

R

T

D

A

L

R

K

H

H

V

V

K

L

M

L

A

A

D

D

E

E

A

T

Y

V

M

C

I

I

G

G

V

P

N

A

P

P

-

S

L

V

D

K

T

S

Y

Y

L

L

N

N

A

I

E

P

R

A

I

I

V

I

D

S

L

A

A

A

L

E

E

I

V

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

A

S

E

E

N

N

E

A

H

N

F

F

A

A

R

E

L

Q

C

V

E

E

E

R

R

S

G

G

I

F

T

I

F

F

I

I

G

G

P

P

H

K

W

A

K

E

V

T

I

I

E

R

L

L

M

M

G

G

D

D

K
|
K

A

V

R

S

S

A

K

I

E

A

V

A

V

M

K

K

A

A

G

G

L

V

P

P

T

C

V

V

P

P

G

G

S

S

D

D

G

G

V

P

L

L

K

G

D

D

E

D

Q

M

E

D

A

K

-

N

K

R

Q

A

I

I

A

A

R

K

E

R

V

I

G

G

Y

Y

P

P

V

V

L
x
I

L

I

K
|
K

A

A

S

S

A

G

G

G

G
|
G

R

R

G

G

I
x
M

R

R

I

V

C

V

R

R

N

G

E

D

E

A

E

E

L

L

L

A

R

Q

N

S

Y

I

E

S

N

M

A

T

Y

R

N

A

E

E

A

A

L

K

K

A

A

A

F

F

G

S

R

N

G
x
D

D

M

L

V

L

Y

L

M

E
|
E

K

K

Y
|
Y

I
x
L

E

E

N

N

P

P

K

R

H
|
H

I

V

E

E

F

I

Q

Q

V

V

L

L

G

A

D

D

K

G

Y

Q

G

G

H

N

V

A

I

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

I

M

Q

Q

R

R

R
|
R

N

H

Q

Q

K

K

L

V

V

V

E

E

I

E

A

A

P

P

S

A

L

P

L

G

L

I

T

T

P

P

E

E

K

L

R

R

E

R

Y

Y

Y

I

G

G

E

E

L

R

V

C

V

A

K

K

A

A

A

C

K

V

E

D

I

I

G

G

Y

Y

Y

R

N

G

A

A

G

G

T
|
T

M

F

E
|
E

F

F

I
x
L

A

F

D

-

E

E

E

N

G

G

N

E

L

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

I

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

M

M

V

I

T

T

G

G

I

V

D

D

I

L

V

I

K

K

W

E

Q

Q

I

L

R

R

I

I

A

A

G

G

E

Q

P

P

L

L

R

S

Y

I

K

K

Q

Q

E

E

D

E

I

V

K

H

F

V

N

R

G

G

Y

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

K

-

K

N

N

T

F

F

A

L

P

P

S

S

I

P

G

G

T

K

I

I

E

T

R

R

Y

F

Y

H

V

A

P

P

G

G

F

F

G

G

I

V

R

R

V

W

E

E

H

S

A

H

A

I

S

Y

R

A

G

G

Y

Y

E

T

V

V

T

P

P

P

Y

Y

D

D

S

S

M

M

I

I

A

G

K

K

L

L

I

I

V

C

W

Y

G

G

P

E

T

N

W

R

E

D

V

V

A

A

V

I

D

A

R

R

M

M

R

K

A

N

A

A

L

L

E

Q

T

E

Y

L

E

I

I

I

T

D

G

G

V

I

K

K

T

T

T

N

I

V

P

D

L

L

L

Q

I

I

N

R

I

I

M

M

K

N

D

D

P

E

D

N

F

F

R

Q

A

H

G

G

K

G

F

T

T

N

T

I

R

H

Y

Y

L

L

E

E

E

K

active site: K116 (= K115), K159 (= K157), D196 (≠ G194), H209 (= H207), R235 (= R233), T274 (= T272), E276 (= E274), E288 (= E287), N290 (= N289), R292 (= R291), E296 (= E295), R338 (= R337)
binding 4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine: I157 (≠ L155), K159 (= K157), G166 (= G164), M169 (≠ I167), E201 (= E199), Y203 (= Y201), L204 (≠ I202), L278 (≠ I276)

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)
53% identity, 94% coverage: 1:442/472 of query aligns to 1:442/446 of 2w6zA

query
sites
2w6zA

M

M

F

L

K

D

K

K

V

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

C

L

R

R

I

I

I

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

I

V

Y

H

N

S

E

S

I

A

E

D

S

R

T

D

A

L

R

K

H

H

V

V

K

L

M

L

A

A

D

D

E

E

A

T

Y

V

M

C

I

I

G

G

V

P

N

A

P

P

-

S

L

V

D

K

T

S

Y

Y

L

L

N

N

A

I

E

P

R

A

I

I

V

I

D

S

L

A

A

A

L

E

E

I

V

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

A

S

E

E

N

N

E

A

H

N

F

F

A

A

R

E

L

Q

C

V

E

E

E

R

R

S

G

G

I

F

T

I

F

F

I

I

G

G

P

P

H

K

W

A

K

E

V

T

I

I

E

R

L

L

M

M

G

G

D

D

K
|
K

A

V

R

S

S

A

K

I

E

A

V

A

V

M

K

K

A

A

G

G

L

V

P

P

T

C

V

V

P

P

G

G

S

S

D

D

G

G

V

P

L

L

K

G

D

D

E

D

Q

M

E

D

A

K

-

N

K

R

Q

A

I

I

A

A

R

K

E

R

V

I

G

G

Y

Y

P

P

V

V

L

I

K
|
K

A

A

S

S

A

G

G

G

R

R

G

G

I

M

R

R

I

V

C

V

R

R

N

G

E

D

E

A

E

E

L

L

L

A

R

Q

N

S

Y

I

E

S

N

M

A

T

Y

R

N

A

E

E

A

A

L

K

K

A

A

A

F

F

G

S

R

N

G
x
D

D

M

L

V

L

Y

L

M

E

E

K

K

Y
|
Y

I
x
L

E

E

N

N

P

P

K

R

H
|
H

I

V

E

E

F

I

Q

Q

V

V

L

L

G

A

D

D

K

G

Y

Q

G

G

H

N

V

A

I

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

I

M

Q

Q

R

R

R
|
R

N

H

Q

Q

K

K

L

V

V

V

E

E

I

E

A

A

P

P

S

A

L

P

L

G

L

I

T

T

P

P

E

E

K

L

R

R

E

R

Y

Y

Y

I

G

G

E

E

L

R

V

C

V

A

K

K

A

A

A

C

K

V

E

D

I

I

G

G

Y

Y

Y

R

N

G

A

A

G

G

T
|
T

M

F

E
|
E

F

F

I
x
L

A

F

D

-

E

E

E

N

G

G

N

E

L

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

I

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

M

M

V

I

T

T

G

G

I

V

D

D

I

L

V

I

K

K

W

E

Q

Q

I

L

R

R

I

I

A

A

G

G

E

Q

P

P

L

L

R

S

Y

I

K

K

Q

Q

E

E

D

E

I

V

K

H

F

V

N

R

G

G

Y

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

K

-

K

N

N

T

F

F

A

L

P

P

S

S

I

P

G

G

T

K

I

I

E

T

R

R

Y

F

Y

H

V

A

P

P

G

G

F

F

G

G

I

V

R

R

V

W

E

E

H

S

A

H

A

I

S

Y

R

A

G

G

Y

Y

E

T

V

V

T

P

P

P

Y

Y

D

D

S

S

M

M

I

I

A

G

K

K

L

L

I

I

V

C

W

Y

G

G

P

E

T

N

W

R

E

D

V

V

A

A

V

I

D

A

R

R

M

M

R

K

A

N

A

A

L

L

E

Q

T

E

Y

L

E

I

I

I

T

D

G

G

V

I

K

K

T

T

T

N

I

V

P

D

L

L

L

Q

I

I

N

R

I

I

M

M

K

N

D

D

P

E

D

N

F

F

R

Q

A

H

G

G

K

G

F

T

T

N

T

I

R

H

Y

Y

L

L

E

E

E

K

active site: K116 (= K115), K159 (= K157), D196 (≠ G194), H209 (= H207), R235 (= R233), T274 (= T272), E276 (= E274), E288 (= E287), N290 (= N289), R292 (= R291), E296 (= E295), R338 (= R337)
binding 3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine: K159 (= K157), Y203 (= Y201), L204 (≠ I202), L278 (≠ I276)

2w6qA Crystal structure of biotin carboxylase from e. Coli in complex with the triazine-2,4-diamine fragment (see paper)
53% identity, 94% coverage: 1:442/472 of query aligns to 1:442/446 of 2w6qA

query
sites
2w6qA

M

M

F

L

K

D

K

K

V

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

C

L

R

R

I

I

I

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

I

V

Y

H

N

S

E

S

I

A

E

D

S

R

T

D

A

L

R

K

H

H

V

V

K

L

M

L

A

A

D

D

E

E

A

T

Y

V

M

C

I

I

G

G

V

P

N

A

P

P

-

S

L

V

D

K

T

S

Y

Y

L

L

N

N

A

I

E

P

R

A

I

I

V

I

D

S

L

A

A

A

L

E

E

I

V

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

A

S

E

E

N

N

E

A

H

N

F

F

A

A

R

E

L

Q

C

V

E

E

E

R

R

S

G

G

I

F

T

I

F

F

I

I

G

G

P

P

H

K

W

A

K

E

V

T

I

I

E

R

L

L

M

M

G

G

D

D

K
|
K

A

V

R

S

S

A

K

I

E

A

V

A

V

M

K

K

A

A

G

G

L

V

P

P

T

C

V

V

P

P

G

G

S

S

D

D

G

G

V

P

L

L

K

G

D

D

E

D

Q

M

E

D

A

K

-

N

K

R

Q

A

I

I

A

A

R

K

E

R

V

I

G

G

Y

Y

P

P

V

V

L
x
I

L

I

K
|
K

A

A

S

S

A

G

G

G

R

R

G

G

I

M

R

R

I

V

C

V

R

R

N

G

E

D

E

A

E

E

L

L

L

A

R

Q

N

S

Y

I

E

S

N

M

A

T

Y

R

N

A

E

E

A

A

L

K

K

A

A

A

F

F

G

S

R

N

G
x
D

D

M

L

V

L

Y

L

M

E
|
E

K
|
K

Y
|
Y

I
x
L

E

E

N

N

P

P

K

R

H
|
H

I

V

E

E

F

I

Q

Q

V

V

L

L

G

A

D

D

K

G

Y

Q

G

G

H

N

V

A

I

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

I

M

Q

Q

R

R

R
|
R

N
x
H

Q

Q

K

K

L

V

V

V

E

E

I

E

A

A

P

P

S

A

L

P

L

G

L

I

T

T

P

P

E

E

K

L

R

R

E

R

Y

Y

Y

I

G

G

E

E

L

R

V

C

V

A

K

K

A

A

A

C

K

V

E

D

I

I

G

G

Y

Y

Y

R

N

G

A

A

G

G

T
|
T

M

F

E
|
E

F

F

I
x
L

A

F

D

-

E

E

E

N

G

G

N

E

L

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

I

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

M

M

V

I

T

T

G

G

I

V

D

D

I

L

V

I

K

K

W

E

Q

Q

I

L

R

R

I

I

A

A

G

G

E

Q

P

P

L

L

R

S

Y

I

K

K

Q

Q

E

E

D

E

I

V

K

H

F

V

N

R

G

G

Y

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

K

-

K

N

N

T

F

F

A

L

P

P

S

S

I

P

G

G

T

K

I

I

E

T

R

R

Y

F

Y

H

V

A

P

P

G

G

F

F

G

G

I

V

R

R

V

W

E

E

H

S

A

H

A

I

S

Y

R

A

G

G

Y

Y

E

T

V

V

T

P

P

P

Y

Y

D

D

S

S

M

M

I

I

A

G

K

K

L

L

I

I

V

C

W

Y

G

G

P

E

T

N

W

R

E

D

V

V

A

A

V

I

D

A

R

R

M

M

R

K

A

N

A

A

L

L

E

Q

T

E

Y

L

E

I

I

I

T

D

G

G

V

I

K

K

T

T

T

N

I

V

P

D

L

L

L

Q

I

I

N

R

I

I

M

M

K

N

D

D

P

E

D

N

F

F

R

Q

A

H

G

G

K

G

F

T

T

N

T

I

R

H

Y

Y

L

L

E

E

E

K

active site: K116 (= K115), K159 (= K157), D196 (≠ G194), H209 (= H207), R235 (= R233), T274 (= T272), E276 (= E274), E288 (= E287), N290 (= N289), R292 (= R291), E296 (= E295), R338 (= R337)
binding 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine: I157 (≠ L155), K159 (= K157), E201 (= E199), K202 (= K200), Y203 (= Y201), L204 (≠ I202), H236 (≠ N234), L278 (≠ I276)

2w6pA Crystal structure of biotin carboxylase from e. Coli in complex with 5-methyl-6-phenyl-quinazoline-2,4-diamine (see paper)
53% identity, 94% coverage: 1:442/472 of query aligns to 1:442/446 of 2w6pA

query
sites
2w6pA

M

M

F

L

K

D

K

K

V

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

C

L

R

R

I

I

I

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

I

V

Y

H

N

S

E

S

I

A

E

D

S

R

T

D

A

L

R

K

H

H

V

V

K

L

M

L

A

A

D

D

E

E

A

T

Y

V

M

C

I

I

G

G

V

P

N

A

P

P

-

S

L

V

D

K

T

S

Y

Y

L

L

N

N

A

I

E

P

R

A

I

I

V

I

D

S

L

A

A

A

L

E

E

I

V

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

A

S

E

E

N

N

E

A

H

N

F

F

A

A

R

E

L

Q

C

V

E

E

E

R

R

S

G

G

I

F

T

I

F

F

I

I

G

G

P

P

H

K

W

A

K

E

V

T

I

I

E

R

L

L

M

M

G

G

D

D

K
|
K

A

V

R

S

S

A

K

I

E

A

V

A

V

M

K

K

A

A

G

G

L

V

P

P

T

C

V

V

P

P

G

G

S

S

D

D

G

G

V

P

L

L

K

G

D

D

E

D

Q

M

E

D

A

K

-

N

K

R

Q

A

I

I

A

A

R

K

E

R

V

I

G

G

Y

Y

P

P

V

V

L

I

K
|
K

A

A

S

S

A

G

G

G

R

R

G

G

I

M

R

R

I

V

C

V

R

R

N

G

E

D

E

A

E

E

L

L

L

A

R

Q

N

S

Y

I

E

S

N

M

A

T

Y

R

N

A

E

E

A

A

L

K

K

A

A

A

F

F

G

S

R

N

G
x
D

D

M

L

V

L

Y

L

M

E

E

K

K

Y
|
Y

I
x
L

E

E

N

N

P

P

K

R

H
|
H

I

V

E

E

F

I

Q

Q

V

V

L

L

G

A

D

D

K

G

Y

Q

G

G

H

N

V

A

I

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

I

M

Q
|
Q

R

R

R
|
R

N
x
H

Q

Q

K

K

L

V

V

V

E

E

I

E

A

A

P

P

S

A

L

P

L

G

L

I

T

T

P

P

E

E

K

L

R

R

E

R

Y

Y

Y

I

G

G

E

E

L

R

V

C

V

A

K

K

A

A

A

C

K

V

E

D

I

I

G

G

Y

Y

Y

R

N

G

A

A

G

G

T
|
T

M

F

E
|
E

F

F

I
x
L

A

F

D

-

E

E

E

N

G

G

N

E

L

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

I

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

M

M

V

I

T

T

G

G

I

V

D

D

I

L

V

I

K

K

W

E

Q

Q

I

L

R

R

I

I

A

A

G

G

E

Q

P

P

L

L

R

S

Y

I

K

K

Q

Q

E

E

D

E

I

V

K

H

F

V

N

R

G

G

Y

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

K

-

K

N

N

T

F

F

A

L

P

P

S

S

I

P

G

G

T

K

I

I

E

T

R

R

Y

F

Y

H

V

A

P

P

G

G

F

F

G

G

I

V

R

R

V

W

E

E

H

S

A

H

A

I

S

Y

R

A

G

G

Y

Y

E

T

V

V

T

P

P

P

Y

Y

D

D

S

S

M

M

I

I

A

G

K

K

L

L

I

I

V

C

W

Y

G

G

P

E

T

N

W

R

E

D

V

V

A

A

V

I

D

A

R

R

M

M

R

K

A

N

A

A

L

L

E

Q

T

E

Y

L

E

I

I

I

T

D

G

G

V

I

K

K

T

T

T

N

I

V

P

D

L

L

L

Q

I

I

N

R

I

I

M

M

K

N

D

D

P

E

D

N

F

F

R

Q

A

H

G

G

K

G

F

T

T

N

T
x
I

R

H

Y

Y

L

L

E

E

E

K

active site: K116 (= K115), K159 (= K157), D196 (≠ G194), H209 (= H207), R235 (= R233), T274 (= T272), E276 (= E274), E288 (= E287), N290 (= N289), R292 (= R291), E296 (= E295), R338 (= R337)
binding 5-methyl-6-phenylquinazoline-2,4-diamine: K159 (= K157), Y203 (= Y201), L204 (≠ I202), Q233 (= Q231), H236 (≠ N234), L278 (≠ I276), I437 (≠ T437)

2w6mA Crystal structure of biotin carboxylase from e. Coli in complex with amino-oxazole fragment series (see paper)
53% identity, 94% coverage: 1:442/472 of query aligns to 1:442/446 of 2w6mA

query
sites
2w6mA

M

M

F

L

K

D

K

K

V

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

C

L

R

R

I

I

I

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

I

V

Y

H

N

S

E

S

I

A

E

D

S

R

T

D

A

L

R

K

H

H

V

V

K

L

M

L

A

A

D

D

E

E

A

T

Y

V

M

C

I

I

G

G

V

P

N

A

P

P

-

S

L

V

D

K

T

S

Y

Y

L

L

N

N

A

I

E

P

R

A

I

I

V

I

D

S

L

A

A

A

L

E

E

I

V

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

A

S

E

E

N

N

E

A

H

N

F

F

A

A

R

E

L

Q

C

V

E

E

E

R

R

S

G

G

I

F

T

I

F

F

I

I

G

G

P

P

H

K

W

A

K

E

V

T

I

I

E

R

L

L

M

M

G

G

D

D

K
|
K

A

V

R

S

S

A

K

I

E

A

V

A

V

M

K

K

A

A

G

G

L

V

P

P

T

C

V

V

P

P

G

G

S

S

D

D

G

G

V

P

L

L

K

G

D

D

E

D

Q

M

E

D

A

K

-

N

K

R

Q

A

I

I

A

A

R

K

E

R

V

I

G

G

Y

Y

P

P

V

V

L
x
I

L

I

K
|
K

A

A

S

S

A

G

G

G

R

R

G

G

I
x
M

R

R

I

V

C

V

R

R

N

G

E

D

E

A

E

E

L

L

L

A

R

Q

N

S

Y

I

E

S

N

M

A

T

Y

R

N

A

E

E

A

A

L

K

K

A

A

A

F

F

G

S

R

N

G
x
D

D

M

L

V

L

Y

L

M

E
|
E

K
|
K

Y
|
Y

I

L

E

E

N

N

P

P

K

R

H
|
H

I

V

E

E

F

I

Q

Q

V

V

L

L

G

A

D

D

K

G

Y

Q

G

G

H

N

V

A

I

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

I

M

Q

Q

R

R

R
|
R

N
x
H

Q

Q

K

K

L

V

V

V

E

E

I

E

A

A

P

P

S

A

L

P

L

G

L

I

T

T

P

P

E

E

K

L

R

R

E

R

Y

Y

Y

I

G

G

E

E

L

R

V

C

V

A

K

K

A

A

A

C

K

V

E

D

I

I

G

G

Y

Y

Y

R

N

G

A

A

G

G

T
|
T

M

F

E
|
E

F

F

I
x
L

A

F

D

-

E

E

E

N

G

G

N

E

L

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

I

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

M

M

V

I

T

T

G

G

I

V

D

D

I

L

V

I

K

K

W

E

Q

Q

I

L

R

R

I

I

A

A

G

G

E

Q

P

P

L

L

R

S

Y

I

K

K

Q

Q

E

E

D

E

I

V

K

H

F

V

N

R

G

G

Y

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

K

-

K

N

N

T

F

F

A

L

P

P

S

S

I

P

G

G

T

K

I

I

E

T

R

R

Y

F

Y

H

V

A

P

P

G

G

F

F

G

G

I

V

R

R

V

W

E

E

H

S

A

H

A

I

S

Y

R

A

G

G

Y

Y

E

T

V

V

T

P

P

P

Y

Y

D

D

S

S

M

M

I

I

A

G

K

K

L

L

I

I

V

C

W

Y

G

G

P

E

T

N

W

R

E

D

V

V

A

A

V

I

D

A

R

R

M

M

R

K

A

N

A

A

L

L

E

Q

T

E

Y

L

E

I

I

I

T

D

G

G

V

I

K

K

T

T

T

N

I

V

P

D

L

L

L

Q

I

I

N

R

I

I

M

M

K

N

D

D

P

E

D

N

F

F

R

Q

A

H

G

G

K

G

F

T

T

N

T
x
I

R

H

Y

Y

L

L

E

E

E

K

active site: K116 (= K115), K159 (= K157), D196 (≠ G194), H209 (= H207), R235 (= R233), T274 (= T272), E276 (= E274), E288 (= E287), N290 (= N289), R292 (= R291), E296 (= E295), R338 (= R337)
binding (2-amino-1,3-oxazol-5-yl)-(3-bromophenyl)methanone: I157 (≠ L155), K159 (= K157), M169 (≠ I167), E201 (= E199), K202 (= K200), Y203 (= Y201), H236 (≠ N234), L278 (≠ I276), I437 (≠ T437)

2v5aA Crystal structure of biotin carboxylase from e.Coli in complex with potent inhibitor 3 (see paper)
53% identity, 94% coverage: 1:442/472 of query aligns to 1:442/446 of 2v5aA

query
sites
2v5aA

M

M

F

L

K

D

K

K

V

I

L

V

V

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

C

L

R

R

I

I

I

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

I

V

Y

H

N

S

E

S

I

A

E

D

S

R

T

D

A

L

R

K

H

H

V

V

K

L

M

L

A

A

D

D

E

E

A

T

Y

V

M

C

I

I

G

G

V

P

N

A

P

P

-

S

L

V

D

K

T

S

Y

Y

L

L

N

N

A

I

E

P

R

A

I

I

V

I

D

S

L

A

A

A

L

E

E

I

V

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

A

S

E

E

N

N

E

A

H

N

F

F

A

A

R

E

L

Q

C

V

E

E

E

R

R

S

G

G

I

F

T

I

F

F

I

I

G

G

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A

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I

V

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N

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A

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G

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K

G

F

T

T

N

T
x
I

R

H

Y

Y

L

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E

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K

active site: K116 (= K115), K159 (= K157), D196 (≠ G194), H209 (= H207), R235 (= R233), T274 (= T272), E276 (= E274), 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 (≠ L155), K159 (= K157), M169 (≠ I167), E201 (= E199), Y203 (= Y201), L204 (≠ I202), Q233 (= Q231), H236 (≠ N234), L278 (≠ I276), I437 (≠ T437)

Query Sequence

>WP_012991309.1 NCBI__GCF_000025605.1:WP_012991309.1
MFKKVLVANRGEIACRIIRACKELGIRTVAIYNEIESTARHVKMADEAYMIGVNPLDTYL
NAERIVDLALEVGADAIHPGYGFLAENEHFARLCEERGITFIGPHWKVIELMGDKARSKE
VVKKAGLPTVPGSDGVLKDEQEAKQIAREVGYPVLLKASAGGGGRGIRICRNEEELLRNY
ENAYNEALKAFGRGDLLLEKYIENPKHIEFQVLGDKYGHVIHLGERDCSIQRRNQKLVEI
APSLLLTPEKREYYGELVVKAAKEIGYYNAGTMEFIADEEGNLYFIEMNTRIQVEHPVTE
MVTGIDIVKWQIRIAAGEPLRYKQEDIKFNGYAIECRINAEDPKKNFAPSIGTIERYYVP
GGFGIRVEHAASRGYEVTPYYDSMIAKLIVWGPTWEVAVDRMRAALETYEITGVKTTIPL
LINIMKDPDFRAGKFTTRYLEEHPHLFDYPEHRDKEDFVAFISAAITAYHGL

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