SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing PP_5347 PP_5347 pyruvate carboxylase subunit A 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)
55% identity, 95% coverage: 1:449/471 of query aligns to 3:452/453 of 7kctA

query
sites
7kctA

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A

active site: E276 (= E274), E289 (= E286), N291 (= N288), E297 (= E294), R339 (= R336)
binding adenosine-5'-diphosphate: K117 (= K115), L157 (≠ M155), K159 (= K157), G164 (= G162), G165 (= G163), G166 (= G164), I169 (= I167), E201 (= E199), Y203 (≠ C201), I204 (= I202), H209 (= H207), Q233 (= Q231), Q237 (= Q235), K238 (= K236), I278 (≠ L276), E289 (= E286), R293 (= R290), Q295 (= Q292), V296 (= V293), E297 (= E294), R339 (= R336)
binding bicarbonate ion: D116 (= D114), R119 (≠ E117)
binding magnesium ion: E276 (= E274), E289 (= E286)

2vpqB Crystal structure of biotin carboxylase from s. Aureus complexed with amppnp (see paper)
55% identity, 93% coverage: 3:442/471 of query aligns to 1:443/448 of 2vpqB

query
sites
2vpqB

K

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active site: V116 (≠ E117), K156 (= K157), H206 (= H207), R232 (= R233), T271 (= T272), E273 (= E274), E287 (= E286), N289 (= N288), R291 (= R290), E295 (= E294), R337 (= R336)
binding phosphoaminophosphonic acid-adenylate ester: K114 (= K115), I154 (≠ M155), K156 (= K157), G161 (= G162), G163 (= G164), I166 (= I167), F200 (≠ C201), I201 (= I202), E273 (= E274), I275 (≠ L276), M286 (= M285), E287 (= E286)
binding magnesium ion: E273 (= E274), E287 (= E286)

A0A0H3JRU9 Pyruvate carboxylase; EC 6.4.1.1 from Staphylococcus aureus (strain Mu50 / ATCC 700699) (see 2 papers)
49% identity, 94% coverage: 2:445/471 of query aligns to 4:456/1150 of A0A0H3JRU9

query
sites
A0A0H3JRU9

I

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Y

A

A

L

I

Q

Q

F

C

R

R

I

I

N

T

A

T

E

E

D

D

P

P

K

L

N

N

N

D

F

F

L

M

P

P

S

D

F

T

G

G

K

T

I

I

T

I

R

A

Y

Y

Y

R

A

S

P

S

G

G

P

F

G

G

V

V

R

R

T

L

D

D

T

A

A

G

I

D

-

G

Y

F

T

Q

G

G

Y

A

T

E

I

I

P

S

P

P

F

Y

Y

Y

D

D

S

S

M

L

C

L

L

V

K

K

L

L

V

S

V

T

W

H

A

A

L

I

T

S

W

F

E

K

E

Q

A

A

M

E

D

E

R
x
K

G

M

L

V

R

R

A

S

L

L

D

R

D

E

M

M

R

R

V

I

Q

R

G

G

V

V

K

K

T

T

T

N

A

I

A

P

Y

F

Y

L

Q

I

E

N

I

V

L

M

R

K

N

N

P

K

E

K

F

F

R

T

S

S

G

G

Q

D

F

Y

N

T

T

T

S

K

F

F

V

I

E

E

S

E

H

T

P

P

E

E

L

L

R21 (= R19) mutation to A: Complete loss of catalytic activity.
K119 (= K115) binding
K161 (= K157) binding
H211 (= H207) binding
E278 (= E274) binding
K411 (≠ R400) mutation to A: Complete loss of catalytic activity.

Sites not aligning to the query:

541:545 binding
542 binding
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
741 binding
743 binding
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.

4mv4A Crystal structure of biotin carboxylase from haemophilus influenzae in complex with amppcp and mg2 (see paper)
51% identity, 93% coverage: 1:440/471 of query aligns to 1:438/442 of 4mv4A

query
sites
4mv4A

M

M

I

L

K

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

V

L

R

R

A

A

C

C

A

K

E

E

M

L

G

G

I

I

R

K

S

T

V

V

A

A

I

V

F

H

S

S

D

T

A

A

D

D

R

R

H

D

A

L

L

K

H

H

V

V

K

L

R

L

A

A

D

D

E

E

A

T

H

I

S

C

I

I

G

G

A

P

E

A

P

P

L

S

A

A

-

K

G

S

Y

Y

L

L

N

N

P

I

R

P

K

A

L

I

V

I

N

A

L

A

A

A

V

E

E

V

T

T

G

G

C

A

D

D

A

A

L

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

E

D

L

F

A

A

E

E

I

Q

C

V

A

E

E

R

R

S

G

G

I

F

K

T

F

F

I

I

G

G

P

P

A

T

A

A

D

D

V

V

I

I

R

R

R

L

M

M

G

G

D

D

K
|
K

T

V

E

S

A

A

R

I

R

K

T

A

M

M

I

K

A

K

A

A

G

G

V

V

P

P

V

C

T

V

P

P

G

G

T

S

E

D

G

G

N

P

V

V

A

S

-

N

D

D

I

I

H

A

E

K

A

N

L

K

S

E

E

I

G

A

D

K

R

R

I

I

G

G

Y

Y

P

P

V

I

M

I

L

I

K
|
K

A

A

T

S

S

G

G

G

G
|
G

G

G

G
x
M

R

R

G

V

I

V

R

R

R

-

C

-

N

-

S

S

R

E

E

D

E

A

L

L

E

E

Q

E

N

S

F

I

P

A

R

M

V

T

I

K

S

A

E

E

A

A

T

K

K

A

A

A

F

F

G

N

S

N

A
x
D

E

M

V

V

F

Y

L

M

E
|
E

K

K

C
x
Y

I
x
L

V

E

N

N

P

P

K

R

H
|
H

I

V

E

E

A

I

Q

Q

I

V

L

L

G

A

D

D

S

T

F

H

G

G

N

N

V

A

V

V

H

Y

L

L

F

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

I

V

E

E

I

E

A

A

P

P

S

A

P

P

Q

G

L

I

T

T

P

E

E

E

Q

V

R

R

A

R

Y

D

I

I

G

G

D

S

L

R

A

C

V

A

R

N

A

A

A

C

K

V

A

E

V

I

N

G

Y

Y

E

R

N

G

A

A

G

G

T
|
T

V

F

E
|
E

F

F

L
|
L

L

Y

A

E

D

N

G

G

E

E

V

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

T

P

I

V

T

T

E

E

E

M

I

I

T

T

G

G

I

V

D

D

I

L

V

V

R

K

E

E

Q

Q

I

L

R

R

I

I

A

A

S

A

G

G

L

L

P

P

L

I

S

S

V

F

K

K

Q

Q

E

E

D

D

I

I

Q

K

H

V

R

K

G

G

Y

H

A

A

L

M

Q

E

F

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

K

K

N

-

N

T

F

F

L

L

P

P

S

S

F

P

G

G

K

K

I

V

T

N

R

H

Y

L

Y

H

A

S

P

P

G

G

P

L

G

G

V

V

R

R

T

W

D

D

T

S

A

H

I

V

Y

Y

T

G

G

G

Y

Y

T

T

I

V

P

P

F

H

Y

Y

D

D

S

S

M

M

C

I

L

A

K

K

L

L

V

I

V

T

W

Y

A

G

L

D

T

T

W

R

E

E

E

V

A

A

M

I

D

R

R

R

G

M

L

Q

R

N

A

A

L

L

D

S

D

E

M

T

R

I

V

I

Q

D

G

G

V

I

K

K

T

T

T

N

A

I

A

P

Y

L

Y

H

Q

E

E

L

I

I

L

L

R

E

N

D

P

E

E

N

F

F

R

Q

S

K

G

G

Q

G

F

T

N

N

T

I

S

H

F

Y

V

L

E

E

active site: K116 (= K115), K159 (= K157), D193 (≠ A194), H206 (= H207), R232 (= R233), T271 (= T272), E273 (= E274), E285 (= E286), N287 (= N288), R289 (= R290), E293 (= E294), R335 (= R336)
binding phosphomethylphosphonic acid adenylate ester: K159 (= K157), G164 (= G162), M166 (≠ G164), E198 (= E199), Y200 (≠ C201), L201 (≠ I202), H233 (≠ N234), L275 (= L276), E285 (= E286)
binding magnesium ion: E273 (= E274), E285 (= E286)

2vr1A Crystal structure of biotin carboxylase from e. Coli in complex with atp analog, adpcf2p. (see paper)
50% identity, 93% coverage: 1:440/471 of query aligns to 1:439/444 of 2vr1A

query
sites
2vr1A

M

M

I

L

K

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

V

L

R

R

A

A

C

C

A

K

E

E

M

L

G

G

I

I

R

K

S

T

V

V

A

A

I

V

F

H

S

S

D

S

A

A

D

D

R

R

H

D

A

L

L

K

H

H

V

V

K

L

R

L

A

A

D

D

E

E

A

T

H

V

S

C

I

I

G

G

A

P

E

A

P

P

-

S

L

V

A

K

G

S

Y

Y

L

L

N

N

P

I

R

P

K

A

L

I

V

I

N

S

L

A

A

A

V

E

E

I

T

T

G

G

C

A

D

V

A

A

L

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

E

N

L

F

A

A

E

E

I

Q

C

V

A

E

E

R

R

S

G

G

I

F

K

I

F

F

I

I

G

G

P

P

A

K

A

A

D

E

V

T

I

I

R

R

R

L

M

M

G

G

D

D

K
|
K

T

V

E

S

A

A

R

I

R

A

T

A

M

M

I

K

A

K

A

A

G

G

V

V

P

P

V

C

T

V

P

P

G

G

T

S

E

D

G

G

N

P

V

L

A

G

D

D

-

D

I

M

H

D

E

K

A

N

L

R

S

A

E

I

G

A

D

K

R

R

I

I

G

G

Y

Y

P

P

V

V

M

I

L

I

K
|
K

A

A

T

S

S

-

G

-

G

G

R
|
R

G

G

I
x
M

R

R

R

V

C

V

N

R

S

G

R

D

E

A

E

E

L

L

E

A

Q

Q

N

S

F

I

P

S

R

M

V

T

I

R

S

A

E

E

A

A

T

K

K

A

A

A

F

F

G

S

S

N

A
x
D

E

M

V

V

F

Y

L

M

E

E

K

K

C
x
Y

I
x
L

V

E

N

N

P

P

K

R

H
|
H

I

V

E

E

A

I

Q

Q

I

V

L

L

G

A

D

D

S

G

F

Q

G

G

N

N

V

A

V

I

H

Y

L

L

F

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

I

V

E

E

I

E

A

A

P

P

S

A

P

P

Q

G

L

I

T

T

P

P

E

E

Q

L

R

R

A

R

Y

Y

I

I

G

G

D

E

L

R

A

C

V

A

R

K

A

A

A

C

K

V

A

D

V

I

N

G

Y

Y

E

R

N

G

A

A

G

G

T
|
T

V

F

E
|
E

F

F

L
|
L

L

F

A

E

D

N

G

G

E

E

V

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

T

P

I

V

T

T

E

E

E

M

I

I

T

T

G

G

I

V

D

D

I

L

V

I

R

K

E

E

Q

Q

I

L

R

R

I

I

A

A

S

A

G

G

L

Q

P

P

L

L

S

S

V

I

K

K

Q

Q

E

E

D

E

I

V

Q

H

H

V

R

R

G

G

Y

H

A

A

L

V

Q

E

F

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

K

-

N

N

N

T

F

F

L

L

P

P

S

S

F

P

G

G

K

K

I

I

T

T

R

R

Y

F

Y

H

A

A

P

P

G

G

P

F

G

G

V

V

R

R

T

W

D

E

T

S

A

H

I

I

Y

Y

T

A

G

G

Y

Y

T

T

I

V

P

P

F

Y

Y

Y

D

D

S

S

M

M

C

I

L

G

K

K

L

L

V

I

V

C

W

Y

A

G

L

E

T

N

W

R

E

D

E

V

A

A

M

I

D

A

R

R

G

M

L

K

R

N

A

A

L

L

D

Q

D

E

M

L

R

I

V

I

Q

D

G

G

V

I

K

K

T

T

T

N

A

V

A

D

Y

L

Y

Q

Q

I

E

R

I

I

L

M

R

N

N

D

P

E

E

N

F

F

R

Q

S

H

G

G

Q

G

F

T

N

N

T
x
I

S

H

F

Y

V

L

E

E

active site: K116 (= K115), K159 (= K157), D194 (≠ A194), H207 (= H207), R233 (= R233), T272 (= T272), E274 (= E274), E286 (= E286), N288 (= N288), R290 (= R290), E294 (= E294), R336 (= R336)
binding phosphodifluoromethylphosphonic acid-adenylate ester: K159 (= K157), R165 (= R165), M167 (≠ I167), Y201 (≠ C201), L202 (≠ I202), E274 (= E274), L276 (= L276), E286 (= E286), N288 (= N288), I435 (≠ T436)

Q05920 Pyruvate carboxylase, mitochondrial; Pyruvic carboxylase; PCB; EC 6.4.1.1 from Mus musculus (Mouse) (see paper)
49% identity, 94% coverage: 2:445/471 of query aligns to 37:487/1178 of Q05920

query
sites
Q05920

I

I

K

K

K
|
K

I

V

L

M

I

V

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

I

R

R

I

V

V

F

R

R

A

A

C

C

A

T

E

E

M

L

G

G

I

I

R

R

S

T

V

V

A

A

I

V

F

Y

S

S

D

E

A

Q

D

D

R

T

H

G

A

Q

L

M

H

H

V

R

K

Q

R
x
K

A

A

D

D

E

E

A

A

H

Y

S

L

I

I

G

G

-

R

-

G

A

L

E

A

P

P

L

V

A

Q

G

A

Y

Y

L

L

N

H

P

I

R

P

K

D

L

I

V

I

N

K

L

V

A

A

V

K

E

E

T

N

G

G

C

V

D

D

A

A

L

V

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

R

A

A

E

D

L

F

A

A

E

Q

I

A

C

C

A

Q

E

D

R

A

G

G

I

V

K

R

F

F

I

I

G

G

P

P

A

S

A

P

D

E

V

V

I

V

R

R

R
x
K

M

M

G

G

D

D

K
|
K

T

V

E

E

A

A

R

R

R

A

T

I

M

A

I

I

A

A

G

G

V

V

P

P

V

V

T

V

P

P

G

G

T

T

E

D

G

S

N

P

V

I

A

S

D

S

I

L

H

H

E

E

A

A

L

H

S

E

E

F

G

S

D

N

R

T

I

F

G

G

Y

F

P

P

V

I

M

I

L

F

K

K

A

A

T

A

S

Y

G

G

R

R

G

G

I

M

R

R

R

V

C

V

N

H

S

S

R

Y

E

E

L

L

E

E

Q

E

N

N

F

Y

P

T

R

R

V

A

I

Y

S

S

E

E

A

A

T

L

K

A

A

A

F

F

G

G

S

N

A

G

E

A

V

L

F

F

L

V

E

E

K

K

C

F

I

I

V

E

N
x
K

P

P

K

R

H

H

I

I

E

E

A

V

Q

Q

I

I

L

L

G

G

D

D

S

Q

F

Y

G

G

N

N

V

I

V

L

H

H

L

L

F

Y

E

E

R

R

D

D

C

C

S

S

I

I

Q

Q

R

R

N

H

Q

Q

K

K

L

V

I

V

E

E

I

I

A

A

P

P

S

A

P

T

Q

H

L

L

T

D

P

P

E

Q

Q

L

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R

A

S

Y

R

I

L

G

T

D

S

L

D

A

S

V

V

R

K

A

L

A

A

K

K

A

Q

V

V

N

G

Y

Y

E

E

N

N

A

A

G

G

T

T

V

V

E

E

F

F

L

L

L

V

-

D

A

K

D

H

G

G

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Y

F

F

M

I

E

E

M

V

N

N

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Q

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V

E

E

H

H

T

T

I

V

T

T

E

E

I

I

T

T

G

D

I

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D

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I

L

V

V

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E

A

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Q

I

I

R

H

I

V

A

S

S

E

G

G

-

R

-

S

L

L

P

P

-

D

L

L

S

G

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Q

E

E

D

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I

I

Q

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H

I

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N

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G

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C

A

A

L

I

Q

Q

F

C

R

R

I

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A

T

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E

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D

P

P

K

A

N

R

N

S

F

F

L

Q

P

P

S

D

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G

G

K

R

I

I

T

E

R

V

Y

F

Y

R

A

S

P

G

G

E

G

G

P

M

G

G

V

I

R

R

T

L

D

D

T

N

A

A

-

S

I

A

Y

F

T

Q

G

G

Y

A

T

V

I

I

P

S

P

P

F

H

Y

Y

D

D

S

S

M

L

C

L

L

V

K

K

L

V

V

I

V

A

W

H

A

G

L
x
K

T

D

W

H

E

P

E

T

A

A

M

A

D

T

R

K

G

M

L

S

R

R

A

A

L

L

D

A

D

E

M

F

R

R

V

V

Q

R

G

G

V

V

K

K

T

T

T

N

A

I

A

P

Y

F

Y

L

Q

Q

E

N

I

V

L

L

R

N

N

N

P

Q

E

Q

F

F

R

L

S

A

G

G

Q

T

F

V

N

D

T

T

S

Q

F

F

V

I

E

D

S

E

H

N

P

P

E

E

L

L

K39 (= K4) modified: N6-acetyllysine
K79 (≠ R44) modified: N6-acetyllysine; alternate; mutation K->Q,R: Reduced pyruvate carboxylase activity.
K148 (≠ R111) modified: N6-acetyllysine
K152 (= K115) modified: N6-acetyllysine; mutation K->Q,R: Reduced pyruvate carboxylase activity.
K241 (≠ N204) modified: N6-acetyllysine
K434 (≠ L392) modified: N6-acetyllysine

Sites not aligning to the query:

35 modified: N6-acetyllysine
589 modified: N6-acetyllysine
717 modified: N6-acetyllysine
748 modified: N6-acetyllysine; K→Q: Reduced pyruvate carboxylase activity.
892 modified: N6-acetyllysine
969 modified: N6-acetyllysine

3bg5A Crystal structure of staphylococcus aureus pyruvate carboxylase (see paper)
48% identity, 94% coverage: 2:445/471 of query aligns to 2:447/1137 of 3bg5A

query
sites
3bg5A

I

I

K

K

I

L

L

L

I

V

A

A

N

N

R

R

G

G

E

E

I

I

A

A

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I

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R

I

I

V

F

R

R

A

A

C

A

A

A

E

E

M

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D

I

I

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S

T

V

V

A

A

I

I

F

Y

S

S

D

N

A

E

D

D

R

K

H

S

A

S

L

L

H

H

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Y

R

K

A

A

D

D

E

E

A

S

H

Y

S

L

I

V

G

G

A

S

E

D

-

L

-

G

P

P

L

A

A

E

G

S

Y

Y

L

L

N

N

P

I

R

E

K

R

L

I

V

I

N

D

L

V

A

A

V

K

E

Q

T

A

G

N

C

V

D

D

A

A

L

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

E

E

Q

L

F

A

A

E

R

I

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C

A

A

E

E

R

E

G

G

I

I

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F

F

I

I

G

G

P

P

A

H

A

L

D

E

V

H

I

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M

F

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G

D

D

K
|
K

T

V

E

K

A

A

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T

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M

A

I

I

A

K

A

A

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D

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L

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G

T

T

E

D

G

G

N

P

V

I

A

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E

L

A

A

L

K

S

E

E

F

G

A

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E

I

A

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G

Y

F

P

P

V

L

M
|
M

L

I

K
|
K

A

A

T

T

S

S

G

-

R

-

G

-

I

-

R

R

R

I

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E

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L

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E

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D

N

A

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S

S

E

E

A

A

T

E

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A

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A
x
S

E

E

V

V

F

Y

L

I

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x
Y

I
|
I

V

D

N

N

P

P

K

K

H
|
H

I

I

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I

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G

D

D

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E

F

H

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G

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N

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L

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F

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E

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Q

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R
|
R

N
x
H

Q

Q

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I

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E

E

I

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A

A

P

P

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S

P

V

Q

G

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A

Q

Y

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C

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D

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A

A

A

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A

L

A

M

K

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A

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A

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T
|
T

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E
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E

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L

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D

G

G

D

E

E

V

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Y

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E
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E

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N
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N

T

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R

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E

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H

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T

I

I

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E

E

E

M

I

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I

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E

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Q

I

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A

A

S

A

G

G

L

A

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D

L

L

-

F

-

G

-

E

-

I

-

N

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M

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Q

Q

Q

E

K

D

D

I

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Y

Y

A

A

L

I

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R
|
R

I

I

N

T

A

T

E

E

D

D

P

P

K

L

N

N

N

D

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F

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P

S

D

F

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G

G

K

T

I

I

T

I

R

A

Y

Y

Y

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A

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P

S

G

G

P

F

G

G

V

V

R

R

T

L

D

D

T

A

A

G

I

D

-

G

Y

F

T

Q

G

G

Y

A

T

E

I

I

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S

P

P

F

Y

Y

Y

D

D

S

S

M

L

C

L

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K

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L

V

S

V

T

W

H

A

A

L

I

T

S

W

F

E

K

E

Q

A

A

M

E

D

E

R

K

G

M

L

V

R

R

A

S

L

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D

E

M

M

R

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V

I

Q

R

G

G

V

V

K

K

T

T

T

N

A

I

A

P

Y

F

Y

L

Q

I

E

N

I

V

L

M

R

K

N

N

P

K

E

K

F

F

R

T

S

S

G

G

Q

D

F

Y

N

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E

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E

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T

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P

E

E

L

L

active site: K117 (= K115), K159 (= K157), S189 (≠ A194), H202 (= H207), R228 (= R233), T267 (= T272), E269 (= E274), E281 (= E286), N283 (= N288), R285 (= R290), E289 (= E294), R337 (= R336)
binding adenosine-5'-triphosphate: K117 (= K115), M157 (= M155), K159 (= K157), Y196 (≠ C201), I197 (= I202), H202 (= H207), Q226 (= Q231), H229 (≠ N234), E269 (= E274), L271 (= L276), E281 (= E286), N283 (= N288)

Sites not aligning to the query:

active site: 533, 639, 703, 732, 734, 755, 761, 762, 801, 867, 869, 881, 883, 888
binding 5-(hexahydro-2-oxo-1h-thieno[3,4-d]imidazol-6-yl)pentanal: 463, 471, 472, 473, 579
binding manganese (ii) ion: 533, 732, 734
binding pyruvic acid: 603, 703

7wtdC Cryo-em structure of human pyruvate carboxylase with acetyl-coa in the intermediate state 1 (see paper)
49% identity, 94% coverage: 2:445/471 of query aligns to 5:455/1146 of 7wtdC

query
sites
7wtdC

I

I

K

K

I

V

L

M

I

V

A

A

N

N

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G

G

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E

I

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A

A

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I

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R

I

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x
F

R
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R

A

A

C

C

A
x
T

E

E

M

L

G

G

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A

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A

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D

D

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x
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x
Q

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x
K

A
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A

D
|
D

E
|
E

A

A

H

Y

S

L

I

I

G

G

-

R

-

G

A

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E

A

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P

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A

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G

A

Y

Y

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L

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H

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D

L

I

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I

N

K

L

V

A

A

V

K

E

E

T

N

G

N

C

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D

A

A

L

V

H

H

P

P

G

G

Y

Y

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G

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F

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E

N

R

A

A

E

D

L

F

A

A

E

Q

I

A

C

C

A

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R

A

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G

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K

R

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F

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G

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A

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E

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V

I

V

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M

M

G

G

D

D

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K

T

V

E

E

A

A

R

R

R

A

T

I

M

A

I

I

A

A

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G

V

V

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P

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V

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V

P

P

G

G

T

T

E

D

G

A

N

P

V

I

A

T

D

S

I

L

H

H

E

E

A

A

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N

R

T

I

Y

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G

Y

F

P

P

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I

M

I

L

F

K
|
K

A

A

T

A

S

Y

G

G

G
|
G

G

G

R

R

G

G

I

M

R

R

R

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C

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N

H

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S

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Y

E

E

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L

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E

N

N

F

Y

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A

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Y

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S

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E

A

A

T

L

K

A

A

A

F

F

G

G

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N

A

G

E

A

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L

F

F

L

V

E

E

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K

C
x
F

I

I

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E

N

K

P

P

K

R

H

H

I

I

E

E

A

V

Q

Q

I

I

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F

Y

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G

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N

V

I

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L

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H

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Y

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E

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R

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D

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C

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S

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I

Q
|
Q

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R

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x
H

Q

Q

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K

L

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I

V

E

E

I

I

A

A

P

P

S

A

P

A

Q

H

L

L

T

D

P

P

E

Q

Q

L

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A

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Y

R

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T

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S

L

D

A

S

V

V

R

K

A

L

A

A

K

K

A

Q

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V

N

G

Y

Y

E

E

N

N

A

A

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G

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T

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E

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F

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A

D

-

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D

H

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G

E

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Y

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M

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E
|
E

M

V

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A

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E

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G

-

R

-

S

L

L

P

P

-

D

L

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R

Q

Q

E

E

D

N

I

I

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H

I

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A

A

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I

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F

C

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I

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N

T

A

T

E

E

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D

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P

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A

N

R

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F

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F

Y
x
R

A

S

P

G

G

E

G

G

P

M

G

G

V

I

R

R

T

L

D

D

T

N

A

A

-

S

I

A

Y

F

T

Q

G

G

Y

A

T

V

I

I

P

S

P

P

F

H

Y

Y

D

D

S

S

M

L

C

L

L

V

K

K

L

V

V

I

V

A

W

H

A

G

L

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D

W

H

E

P

E

T

A

A

M

A

D

T

R

K

G

M

L

S

R
|
R

A

A

L

L

D
x
A

D

E

M

F

R
|
R

V

V

Q

R

G

G

V

V

K

K

T

T

T

N

A

I

A

A

Y

F

Y

L

Q

Q

E

N

I

V

L

L

R

N

N

N

P

Q

E

Q

F

F

R

L

S

A

G

G

Q

T

F

V

N

D

T

T

S

Q

F

F

V

I

E

D

S

E

H

N

P

P

E

E

L

L

binding adenosine-5'-triphosphate: K162 (= K157), G167 (= G162), G168 (= G163), F206 (≠ C201), Q236 (= Q231), H239 (≠ N234), E292 (= E286)
binding coenzyme a: F21 (≠ V18), R22 (= R19), T25 (≠ A22), R45 (≠ V42), Q46 (≠ K43), K47 (≠ R44), A48 (= A45), D49 (= D46), E50 (= E47), R366 (≠ Y357), R413 (= R403), A416 (≠ D406), R419 (= R409)

Sites not aligning to the query:

binding coenzyme a: 462, 464, 465, 466, 1024, 1053

7wtbB Cryo-em structure of human pyruvate carboxylase with acetyl-coa (see paper)
49% identity, 94% coverage: 2:445/471 of query aligns to 6:456/1147 of 7wtbB

query
sites
7wtbB

I

I

K

K

I

V

L

M

I

V

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

I

R

R

I

V

V
x
F

R

R

A

A

C

C

A
x
T

E

E

M

L

G

G

I

I

R

R

S

T

V

V

A

A

I

I

F

Y

S

S

D

E

A

Q

D

D

R

T

H

G

A

Q

L

M

H

H

V
x
R

K
x
Q

R
x
K

A
|
A

D
|
D

E

E

A

A

H

Y

S

L

I

I

G

G

-

R

-

G

A

L

E

A

P

P

L

V

A

Q

G

A

Y

Y

L

L

N

H

P

I

R

P

K

D

L

I

V

I

N

K

L

V

A

A

V

K

E

E

T

N

G

N

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binding acetyl coenzyme *a: F22 (≠ V18), T26 (≠ A22), R46 (≠ V42), Q47 (≠ K43), K48 (≠ R44), A49 (= A45), D50 (= D46), R367 (≠ Y357), R414 (= R403), E418 (≠ D407), R420 (= R409), R422 (≠ Q411)
binding phosphoaminophosphonic acid-adenylate ester: K163 (= K157), G168 (= G162), G169 (= G163), M173 (≠ I167), F207 (≠ C201), I208 (= I202), P211 (= P205), H240 (≠ N234)

Sites not aligning to the query:

P11498 Pyruvate carboxylase, mitochondrial; Pyruvic carboxylase; PCB; EC 6.4.1.1 from Homo sapiens (Human) (see 6 papers)
49% identity, 94% coverage: 2:445/471 of query aligns to 37:487/1178 of P11498

query
sites
P11498

I

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V145 (= V108) to A: in PC deficiency; mild; strongly reduced pyruvate carboxylase activity; dbSNP:rs28940591
R156 (= R119) to Q: in PC deficiency; dbSNP:rs119103241
R270 (= R233) to W: in PC deficiency; dbSNP:rs1258494752
Y304 (= Y267) to C: in PC deficiency
R451 (= R409) to C: in PC deficiency; mild; strongly reduced pyruvate carboxylase activity; dbSNP:rs113994143

Sites not aligning to the query:

572 binding
583 R → L: in PC deficiency; dbSNP:rs119103242
610 A → T: in PC deficiency; mild; dbSNP:rs28940589
631 R → Q: in PC deficiency; dbSNP:rs113994145
741 binding via carbamate group; modified: N6-carboxylysine
743 M → I: in PC deficiency; mild; dbSNP:rs28940590
771 binding
773 binding
1077 mutation F->A,E: Loss of tetramerization and enzyme activity, resulting in an inactive homodimer.
1131:1133 natural variant: Missing (in PC deficiency)
1144 modified: N6-biotinyllysine

6oi8A Crystal structure of haemophilus influenzae biotin carboxylase complexed with 7-((1r,5s,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl)- 6-(2-chloro-6-(pyridin-3-yl)phenyl)pyrido[2,3-d]pyrimidin-2-amine (see paper)
50% identity, 93% coverage: 1:440/471 of query aligns to 1:436/440 of 6oi8A

query
sites
6oi8A

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T

N

A

I

A

P

Y

L

Y

H

Q

E

E

L

I

I

L

L

R

E

N

D

P

E

E

N

F

F

R

Q

S

K

G

G

Q

G

F

T

N

N

T
x
I

S

H

F

Y

V

L

E

E

active site: K116 (= K115), K159 (= K157), D191 (≠ A194), H204 (= H207), R230 (= R233), T269 (= T272), E271 (= E274), E283 (= E286), N285 (= N288), R287 (= R290), E291 (= E294), R333 (= R336)
binding 7-[(1R,5S,6s)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-6-[2-chloro-6-(pyridin-3-yl)phenyl]pyrido[2,3-d]pyrimidin-2-amine: I157 (≠ M155), K159 (= K157), M164 (≠ I167), E196 (= E199), Y198 (≠ C201), L199 (≠ I202), H204 (= H207), Q228 (= Q231), E271 (= E274), L273 (= L276), E283 (= E286), I432 (≠ T436)

4mv3A Crystal structure of biotin carboxylase from haemophilus influenzae in complex with amppcp and bicarbonate (see paper)
50% identity, 93% coverage: 1:440/471 of query aligns to 1:435/439 of 4mv3A

query
sites
4mv3A

M

M

I

L

K

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

V

L

R

R

A

A

C

C

A

K

E

E

M

L

G

G

I

I

R

K

S

T

V

V

A

A

I

V

F

H

S

S

D

T

A

A

D

D

R

R

H

D

A

L

L

K

H

H

V

V

K

L

R

L

A

A

D

D

E

E

A

T

H

I

S

C

I

I

G

G

A

P

E

A

P

P

L

S

A

A

-

K

G

S

Y

Y

L

L

N

N

P

I

R

P

K

A

L

I

V

I

N

A

L

A

A

A

V

E

E

V

T

T

G

G

C

A

D

D

A

A

L

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

E

D

L

F

A

A

E

E

I

Q

C

V

A

E

E

R

R

S

G

G

I

F

K

T

F

F

I

I

G

G

P

P

A

T

A

A

D

D

V

V

I

I

R

R

R

L

M

M

G

G

D

D

K
|
K

T

V

E

S

A

A

R

I

R

K

T

A

M

M

I

K

A

K

A

A

G

G

V

V

P

P

V

C

T

V

P

P

G

G

T

S

E

D

G

G

N

P

V

V

A

S

-

N

D

D

I

I

H

A

E

K

A

N

L

K

S

E

E

I

G

A

D

K

R

R

I

I

G

G

Y

Y

P

P

V

I

M

I

L

I

K
|
K

A

A

T

S

S

-

G

-

R

-

G

G

I
x
M

R

R

R

V

C

V

N

R

S

S

R

E

E

D

E

A

L

L

E

E

Q

E

N

S

F

I

P

A

R

M

V

T

I

K

S

A

E

E

A

A

T

K

K

A

A

A

F

F

G

N

S

N

A
x
D

E

M

V

V

F

Y

L

M

E
|
E

K

K

C
x
Y

I
x
L

V

E

N

N

P

P

K

R

H
|
H

I

V

E

E

A

I

Q

Q

I

V

L

L

G

A

D

D

S

T

F

H

G

G

N

N

V

A

V

V

H

Y

L

L

F

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

I

V

E

E

I

E

A

A

P

P

S

A

P

P

Q

G

L

I

T

T

P

E

E

E

Q

V

R

R

A

R

Y

D

I

I

G

G

D

S

L

R

A

C

V

A

R

N

A

A

A

C

K

V

A

E

V

I

N

G

Y

Y

E

R

N

G

A

A

G

G

T
|
T

V

F

E
|
E

F

F

L
|
L

L

Y

A

E

D

N

G

G

E

E

V

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

T

P

I

V

T

T

E

E

E

M

I

I

T

T

G

G

I

V

D

D

I

L

V

V

R

K

E

E

Q

Q

I

L

R

R

I

I

A

A

S

A

G

G

L

L

P

P

L

I

S

S

V

F

K

K

Q

Q

E

E

D

D

I

I

Q

K

H

V

R

K

G

G

Y

H

A

A

L

M

Q

E

F

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

K

K

N

-

N

T

F

F

L

L

P

P

S

S

F

P

G

G

K

K

I

V

T

N

R

H

Y

L

Y

H

A

S

P

P

G

G

P

L

G

G

V

V

R

R

T

W

D

D

T

S

A

H

I

V

Y

Y

T

G

G

G

Y

Y

T

T

I

V

P

P

F

H

Y

Y

D

D

S

S

M

M

C

I

L

A

K

K

L

L

V

I

V

T

W

Y

A

G

L

D

T

T

W

R

E

E

E

V

A

A

M

I

D

R

R

R

G

M

L

Q

R

N

A

A

L

L

D

S

D

E

M

T

R

I

V

I

Q

D

G

G

V

I

K

K

T

T

T

N

A

I

A

P

Y

L

Y

H

Q

E

E

L

I

I

L

L

R

E

N

D

P

E

E

N

F

F

R

Q

S

K

G

G

Q

G

F

T

N

N

T

I

S

H

F

Y

V

L

E

E

active site: K116 (= K115), K159 (= K157), D190 (≠ A194), H203 (= H207), R229 (= R233), T268 (= T272), E270 (= E274), E282 (= E286), N284 (= N288), R286 (= R290), E290 (= E294), R332 (= R336)
binding phosphomethylphosphonic acid adenylate ester: K159 (= K157), M163 (≠ I167), E195 (= E199), Y197 (≠ C201), L198 (≠ I202), E270 (= E274), L272 (= L276), E282 (= E286)
binding bicarbonate ion: R286 (= R290), Q288 (= Q292), V289 (= V293)

P43873 Biotin carboxylase; Acetyl-coenzyme A carboxylase biotin carboxylase subunit A; EC 6.3.4.14 from Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) (see paper)
51% identity, 93% coverage: 1:440/471 of query aligns to 1:441/448 of P43873

query
sites
P43873

M

M

I

L

K

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

V

L

R

R

A

A

C

C

A

K

E

E

M

L

G

G

I

I

R

K

S

T

V

V

A

A

I

V

F

H

S

S

D

T

A

A

D

D

R

R

H

D

A

L

L

K

H

H

V

V

K

L

R

L

A

A

D

D

E

E

A

T

H

I

S

C

I

I

G

G

A

P

E

A

P

P

L

S

A

A

-

K

G

S

Y

Y

L

L

N

N

P

I

R

P

K

A

L

I

V

I

N

A

L

A

A

A

V

E

E

V

T

T

G

G

C

A

D

D

A

A

L

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

E

D

L

F

A

A

E

E

I

Q

C

V

A

E

E

R

R

S

G

G

I

F

K

T

F

F

I

I

G

G

P

P

A

T

A

A

D

D

V

V

I

I

R

R

R

L

M

M

G

G

D

D

K
|
K

T

V

E

S

A

A

R

I

R

K

T

A

M

M

I

K

A

K

A

A

G

G

V

V

P

P

V

C

T

V

P

P

G

G

T

S

E

D

G

G

N

P

V

V

A

S

-

N

D

D

I

I

H

A

E

K

A

N

L

K

S

E

E

I

G

A

D

K

R

R

I

I

G

G

Y

Y

P

P

V

I

M

I

L

I

K
|
K

A

A

T

S

S

G

G

G

R

R

G

G

I

M

R

R

R

V

C

V

N

R

S

S

R

E

E

D

E

A

L

L

E

E

Q

E

N

S

F

I

P

A

R

M

V

T

I

K

S

A

E

E

A

A

T

K

K

A

A

A

F

F

G

N

S

N

A

D

E

M

V

V

F

Y

L

M

E
|
E

K
|
K

C
x
Y

I
x
L

V

E

N

N

P

P

K

R

H

H

I

V

E

E

A

I

Q

Q

I

V

L

L

G

A

D

D

S

T

F

H

G

G

N

N

V

A

V

V

H

Y

L

L

F

A

E

E

R

R

D

D

C

C

S

S

I

M

Q

Q

R

R

N

H

Q

Q

K

K

L

V

I

V

E

E

I

E

A

A

P

P

S

A

P

P

Q

G

L

I

T

T

P

E

E

E

Q

V

R

R

A

R

Y

D

I

I

G

G

D

S

L

R

A

C

V

A

R

N

A

A

A

C

K

V

A

E

V

I

N

G

Y

Y

E

R

N

G

A

A

G

G

T

T

V

F

E
|
E

F

F

L

L

L

Y

A

E

D

N

G

G

E

E

V

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

T

P

I

V

T

T

E

E

E

M

I

I

T

T

G

G

I

V

D

D

I

L

V

V

R

K

E

E

Q

Q

I

L

R

R

I

I

A

A

S

A

G

G

L

L

P

P

L

I

S

S

V

F

K

K

Q

Q

E

E

D

D

I

I

Q

K

H

V

R

K

G

G

Y

H

A

A

L

M

Q

E

F

C

R

R

I

I

N

N

A

A

E

E

D

D

P

P

K

K

N

-

N

T

F

F

L

L

P

P

S

S

F

P

G

G

K

K

I

V

T

N

R

H

Y

L

Y

H

A

S

P

P

G

G

P

L

G

G

V

V

R

R

T

W

D

D

T

S

A

H

I

V

Y

Y

T

G

G

G

Y

Y

T

T

I

V

P

P

F

H

Y

Y

D

D

S

S

M

M

C

I

L

A

K

K

L

L

V

I

V

T

W

Y

A

G

L

D

T

T

W

R

E

E

E

V

A

A

M

I

D

R

R

R

G

M

L

Q

R

N

A

A

L

L

D

S

D

E

M

T

R

I

V

I

Q

D

G

G

V

I

K

K

T

T

T

N

A

I

A

P

Y

L

Y

H

Q

E

E

L

I

I

L

L

R

E

N

D

P

E

E

N

F

F

R

Q

S

K

G

G

Q

G

F

T

N

N

T

I

S

H

F

Y

V

L

E

E

K116 (= K115) binding
K159 (= K157) binding
EKYL 201:204 (≠ EKCI 199:202) binding
E276 (= E274) binding ; binding
E288 (= E286) binding ; binding
N290 (= N288) binding

6ojhA Crystal structure of haemophilus influenzae biotin carboxylase complexed with (r)-7-(3-aminopyrrolidin-1-yl)-6-(naphthalen-1-yl) pyrido[2,3-d]pyrimidin-2-amine
51% identity, 93% coverage: 1:440/471 of query aligns to 1:441/445 of 6ojhA

query
sites
6ojhA

M

M

I

L

K

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

V

L

R

R

A

A

C

C

A

K

E

E

M

L

G

G

I

I

R

K

S

T

V

V

A

A

I

V

F

H

S

S

D

T

A

A

D

D

R

R

H

D

A

L

L

K

H

H

V

V

K

L

R

L

A

A

D

D

E

E

A

T

H

I

S

C

I

I

G

G

A

P

E

A

P

P

L

S

A

A

-

K

G

S

Y

Y

L

L

N

N

P

I

R

P

K

A

L

I

V

I

N

A

L

A

A

A

V

E

E

V

T

T

G

G

C

A

D

D

A

A

L

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

E

D

L

F

A

A

E

E

I

Q

C

V

A

E

E

R

R

S

G

G

I

F

K

T

F

F

I

I

G

G

P

P

A

T

A

A

D

D

V

V

I

I

R

R

R

L

M

M

G

G

D

D

K
|
K

T

V

E

S

A

A

R

I

R

K

T

A

M

M

I

K

A

K

A

A

G

G

V

V

P

P

V

C

T

V

P

P

G

G

T

S

E

D

G

G

N

P

V

V

A

S

-

N

D

D

I

I

H

A

E

K

A

N

L

K

S

E

E

I

G

A

D

K

R

R

I

I

G

G

Y

Y

P

P

V

I

M

I

L

I

K
|
K

A

A

T

S

S

G

G

G

R

R

G

G

I
x
M

R

R

R

V

C

V

N

R

S

S

R

E

E

D

E

A

L

L

E

E

Q

E

N

S

F

I

P

A

R

M

V

T

I

K

S

A

E

E

A

A

T

K

K

A

A

A

F

F

G

N

S

N

A
x
D

E

M

V

V

F

Y

L

M

E
|
E

K

K

C
x
Y

I
x
L

V

E

N

N

P

P

K

R

H
|
H

I

V

E

E

A

I

Q

Q

I

V

L

L

G

A

D

D

S

T

F

H

G

G

N

N

V

A

V

V

H

Y

L

L

F

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

I

V

E

E

I

E

A

A

P

P

S

A

P

P

Q

G

L

I

T

T

P

E

E

E

Q

V

R

R

A

R

Y

D

I

I

G

G

D

S

L

R

A

C

V

A

R

N

A

A

A

C

K

V

A

E

V

I

N

G

Y

Y

E

R

N

G

A

A

G

G

T
|
T

V

F

E
|
E

F

F

L
|
L

L

Y

A

E

D

N

G

G

E

E

V

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

T

P

I

V

T

T

E

E

E

M

I

I

T

T

G

G

I

V

D

D

I

L

V

V

R

K

E

E

Q

Q

I

L

R

R

I

I

A

A

S

A

G

G

L

L

P

P

L

I

S

S

V

F

K

K

Q

Q

E

E

D

D

I

I

Q

K

H

V

R

K

G

G

Y

H

A

A

L

M

Q

E

F

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

K

K

N

-

N

T

F

F

L

L

P

P

S

S

F

P

G

G

K

K

I

V

T

N

R

H

Y

L

Y

H

A

S

P

P

G

G

P

L

G

G

V

V

R

R

T

W

D

D

T

S

A

H

I

V

Y

Y

T

G

G

G

Y

Y

T

T

I

V

P

P

F

H

Y

Y

D

D

S

S

M

M

C

I

L

A

K

K

L

L

V

I

V

T

W

Y

A

G

L

D

T

T

W

R

E

E

E

V

A

A

M

I

D

R

R

R

G

M

L

Q

R

N

A

A

L

L

D

S

D

E

M

T

R

I

V

I

Q

D

G

G

V

I

K

K

T

T

T

N

A

I

A

P

Y

L

Y

H

Q

E

E

L

I

I

L

L

R

E

N

D

P

E

E

N

F

F

R

Q

S

K

G

G

Q

G

F

T

N

N

T
x
I

S

H

F

Y

V

L

E

E

active site: K116 (= K115), K159 (= K157), D196 (≠ A194), H209 (= H207), R235 (= R233), T274 (= T272), E276 (= E274), E288 (= E286), N290 (= N288), R292 (= R290), E296 (= E294), R338 (= R336)
binding calcium ion: E276 (= E274), E288 (= E286), N290 (= N288)
binding 7-[(3R)-3-aminopyrrolidin-1-yl]-6-(naphthalen-1-yl)pyrido[2,3-d]pyrimidin-2-amine: K159 (= K157), M169 (≠ I167), E201 (= E199), Y203 (≠ C201), L204 (≠ I202), H236 (≠ N234), L278 (= L276), E288 (= E286), I437 (≠ T436)

8hz4A The tetrameric structure of biotin carboxylase from chloroflexus aurantiacus in complex with bicarbonate
50% identity, 96% coverage: 1:454/471 of query aligns to 1:452/456 of 8hz4A

query
sites
8hz4A

M

M

I

F

K

R

K

T

I

I

L

L

I

V

A

A

N

N

R

R

G

G

E

E

I

I

A

A

V

L

R

R

I

V

V

M

R

R

A

A

C

C

A

R

E

E

M

L

G

G

I

L

R

R

S

C

V

V

A

A

I

V

F
x
Y

S

S

D

E

A

A

D

D

R
|
R

H

D

A

A

L

P

H

H

V

V

K

A

R

Y

A

A

D

D

E
x
D

A
|
A

H
x
F

S
x
L

I

I

G

G

A

P

-

P

E

S

P

P

L

A

A

E

G

S

Y

Y

L

L

N

N

P

I

R

D

K

A

L

I

V

I

N

R

L

A

A

A

V

K

E

A

T

T

G

G

C

A

D

E

A

A

L

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

A

E

E

N

N

A

A

E

S

L

F

A

V

E

R

I

A

C

V

A

T

E

A

R

A

G

G

I

L

K

I

F

F

I

I

G

G

P

P

A

P

A

A

D

E

V

A

I

M

R

E

R

R

M

M

G

G

D

G

K

K

T

T

E

A

A

A

R

R

T

E

M

A

I

T

A

A

G

G

V

V

P

P

V

V

T

V

P

P

G

G

T

V

E

L

G

E

N

P

V

V

A

T

D

D

I

A

H

A

E

E

A

V

L

R

S

R

E

L

G

G

D

K

R

E

I

F

G

G

Y

Y

P

P

V

I

M

A

L

I

K

K

A

A

T

V

S

-

G

-

G

G

R

R

G

G

I

L

R

R

R

V

C

V

N

R

S

S

R

P

E

E

L

V

E

D

Q

E

N

A

F

F

P

A

R

A

V

A

I

R

S

R

E

E

A

A

T

E

K

V

A

A

F

F

G

K

S

N

A

G

E

E

V

L

F

Y

L

V

E

E

K

K

C

Y

I

L

V

D

N

D

P

P

K

R

H

H

I

I

E

E

A

I

Q

Q

I

V

L

L

G

A

D

D

S

R

F

Y

G

G

N

N

V

A

V

V

H

A

L

L

F

G

E

E

R

R

D

D

C

C

S

S

I

V

Q

Q

R

R

N

H

Q

Q

K

K

L

L

I

I

E

E

I

E

A

C

P

P

S

S

P

P

Q

A

L

L

T

T

P

P

E

E

Q

L

R

R

A

A

Y

E

I

M

G

G

D

A

L

A

A

A

V

V

R

R

A

L

A

A

K

K

A

A

V

V

N

G

Y

Y

E

V

N

S

A

A

G

G

T

T

V

L

E

E

F

F

L

L

L

F

A

Q

D

D

G

G

E

R

V

Y

Y

Y

F

F

M

L

E

E

M

M

N

N

T

T

R
|
R

V

I

Q
|
Q

V

V

E
|
E

H

H

T

T

I

V

T

T

E

E

E

M

I

V

T

Y

G

G

I

I

D

D

I

L

V

V

R

A

E

A

Q

Q

I

I

R

R

I

I

A

A

S

Q

G

G

L

E

P

K

L

L

S

W

V

F

K

K

Q

Q

E

E

D

D

I

V

Q

V

H

P

R

R

G

G

Y

H

A

A

L

I

Q

E

F

C

R

R

I

I

N

N

A

A

E

E

D

D

P

P

K

L

N

H

N

N

F

F

L

R

P

P

S

A

F

L

G

G

K

T

I

I

T

G

R

E

Y

Y

Y

H

A

E

P

P

G

V

G

G

P

F

G

G

V

V

R

R

T

V

D

D

T

S

A

G

I

V

Y

R

T

A

G

Y

Y

Y

T

T

I

V

P

P

P

S

F

H

Y

Y

D

D

S

S

M

L

C

L

L

A

K

K

L

L

V

I

V

T

W

W

A

G

L

S

T

D

W

R

E

Q

E

E

A

A

M

I

D

A

R

R

G

M

L

R

R

R

A

A

L

L

D

A

D

E

M

Y

R

R

V

I

Q

E

G

G

V

V

K

T

T

T

T

I

A

I

A

P

Y

F

Y

H

Q

Q

E

A

I

A

L

L

R

E

N

H

P

P

E

V

F

F

R

T

S

A

G

G

Q

A

F

A

N

T

T

V

S

N

F

F

V

I

E

P

S

R

H

H

P

P

E

E

L

L

T

F

N

S

Y

R

S

A

I

A

K

E

R

L

K

T

P

P

binding bicarbonate ion: R288 (= R290), Q290 (= Q292), E292 (= E294)
binding : Y32 (≠ F32), R37 (= R37), D47 (≠ E47), A48 (= A48), F49 (≠ H49), L50 (≠ S50)

P24182 Biotin carboxylase; Acetyl-coenzyme A carboxylase biotin carboxylase subunit A; EC 6.3.4.14 from Escherichia coli (strain K12) (see 3 papers)
50% identity, 93% coverage: 1:440/471 of query aligns to 1:441/449 of P24182

query
sites
P24182

M

M

I

L

K

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

V

L

R
|
R

A

A

C

C

A

K

E
|
E

M

L

G

G

I

I

R

K

S

T

V

V

A

A

I

V

F

H

S

S

D

S

A

A

D

D

R

R

H

D

A

L

L

K

H

H

V

V

K

L

R

L

A

A

D

D

E

E

A

T

H

V

S

C

I

I

G

G

A

P

E

A

P

P

-

S

L

V

A

K

G

S

Y

Y

L

L

N

N

P

I

R

P

K

A

L

I

V

I

N

S

L

A

A

A

V

E

E

I

T

T

G

G

C

A

D

V

A

A

L

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

E

N

L

F

A

A

E

E

I

Q

C

V

A

E

E

R

R

S

G

G

I

F

K

I

F

F

I

I

G

G

P

P

A

K

A

A

D

E

V

T

I

I

R

R

R

L

M

M

G

G

D

D

K
|
K

T

V

E

S

A

A

R

I

R

A

T

A

M

M

I

K

A

K

A

A

G

G

V

V

P

P

V

C

T

V

P

P

G

G

T

S

E

D

G

G

N

P

V

L

A

G

D

D

-

D

I

M

H

D

E

K

A

N

L

R

S

A

E

I

G

A

D

K

R

R

I

I

G

G

Y

Y

P

P

V

V

M

I

L

I

K
|
K

A

A

T

S

S

G

G

G

G
|
G

R

R

G

G

I

M

R

R

R

V

C

V

N

R

S

G

R

D

E

A

E

E

L

L

E

A

Q

Q

N

S

F

I

P

S

R

M

V

T

I

R

S

A

E

E

A

A

T

K

K

A

A

A

F

F

G

S

S

N

A

D

E

M

V

V

F

Y

L

M

E
|
E

K
|
K

C
x
Y

I
x
L

V

E

N

N

P

P

K

R

H
|
H

I

V

E

E

A

I

Q

Q

I

V

L

L

G

A

D

D

S

G

F

Q

G

G

N

N

V

A

V

I

H

Y

L

L

F

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

I

V

E

E

I

E

A

A

P

P

S

A

P

P

Q

G

L

I

T

T

P

P

E

E

Q

L

R

R

A

R

Y

Y

I

I

G

G

D

E

L

R

A

C

V

A

R

K

A

A

A

C

K

V

A

D

V

I

N

G

Y

Y

E

R

N

G

A

A

G

G

T

T

V

F

E
|
E

F

F

L

L

L

F

A

E

D

N

G

G

E

E

V

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

T

P

I

V

T

T

E

E

E

M

I

I

T

T

G

G

I

V

D

D

I

L

V

I

R

K

E

E

Q

Q

I

L

R

R

I

I

A

A

S

A

G

G

L

Q

P

P

L

L

S

S

V

I

K

K

Q

Q

E

E

D

E

I

V

Q

H

H

V

R

R

G

G

Y

H

A

A

L

V

Q

E

F

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

K

-

N

N

N

T

F

F

L

L

P

P

S

S

F

P

G

G

K

K

I

I

T

T

R

R

Y

F

Y

H

A

A

P

P

G

G

P
x
F

G

G

V

V

R
|
R

T

W

D

E

T

S

A

H

I

I

Y

Y

T

A

G

G

Y

Y

T

T

I

V

P

P

F

Y

Y

Y

D

D

S

S

M

M

C

I

L

G

K

K

L

L

V

I

V

C

W

Y

A

G

L

E

T

N

W

R

E

D

E

V

A

A

M

I

D

A

R

R

G

M

L

K

R

N

A

A

L

L

D

Q

D

E

M

L

R

I

V

I

Q

D

G

G

V

I

K

K

T

T

T

N

A

V

A

D

Y

L

Y

Q

Q

I

E

R

I

I

L

M

R

N

N

D

P

E

E

N

F

F

R

Q

S

H

G

G

Q

G

F

T

N

N

T

I

S

H

F

Y

V

L

E

E

R19 (= R19) mutation to E: Loss of homodimerization. No effect on ATP binding.
E23 (= E23) mutation to R: Loss of homodimerization. No effect on ATP binding.
K116 (= K115) binding
K159 (= K157) binding
GG 165:166 (= GG 163:164) binding
EKYL 201:204 (≠ EKCI 199:202) binding
H209 (= H207) binding
H236 (≠ N234) binding
K238 (= K236) binding
E276 (= E274) binding ; binding
E288 (= E286) binding ; binding
R292 (= R290) active site; binding
V295 (= V293) binding
E296 (= E294) mutation to A: Severe reduction in catalytic activity.
R338 (= R336) binding ; binding ; mutation to A: Severe reduction in catalytic activity.
F363 (≠ P362) mutation to A: Loss of homodimerization. No effect on ATP binding.
R366 (= R365) mutation to E: Loss of homodimerization. No effect on ATP binding.

3rupA Crystal structure of e.Coli biotin carboxylase in complex with two adp and two ca ions (see paper)
50% identity, 93% coverage: 1:440/471 of query aligns to 1:441/444 of 3rupA

query
sites
3rupA

M

M

I

L

K

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

V

L

R

R

A

A

C

C

A

K

E

E

M

L

G

G

I

I

R

K

S

T

V

V

A

A

I

V

F

H

S

S

D

S

A

A

D

D

R

R

H

D

A

L

L

K

H

H

V

V

K

L

R

L

A

A

D

D

E

E

A

T

H

V

S

C

I

I

G

G

A

P

E

A

P

P

-

S

L

V

A

K

G

S

Y

Y

L

L

N

N

P

I

R

P

K

A

L

I

V

I

N

S

L

A

A

A

V

E

E

I

T

T

G

G

C

A

D

V

A

A

L

I

H

H

P

P

G

G

Y
|
Y

G
|
G

F

F

L

L

S

S

E
|
E

N

N

A

A

E

N

L

F

A

A

E

E

I

Q

C

V

A

E

E

R

R

S

G

G

I

F

K

I

F

F

I

I

G

G

P

P

A

K

A

A

D

E

V

T

I

I

R

R

R

L

M

M

G

G

D

D

K
|
K

T

V

E

S

A

A

R

I

R

A

T

A

M

M

I

K

A

K

A

A

G

G

V

V

P

P

V

C

T

V

P

P

G

G

T

S

E

D

G

G

N

P

V

L

A

G

D

D

-

D

I

M

H

D

E

K

A

N

L

R

S

A

E

I

G

A

D

K

R

R

I

I

G

G

Y

Y

P

P

V

V

M

I

L

I

K
|
K

A

A

T

S

S

G

G

G

G
|
G

R
|
R

G

G

I
x
M

R

R

R

V

C

V

N

R

S

G

R

D

E

A

E

E

L

L

E

A

Q

Q

N

S

F

I

P

S

R

M

V

T

I

R

S

A

E

E

A

A

T

K

K

A

A

A

F
|
F

G

S

S

N

A
x
D

E

M

V

V

F

Y

L

M

E
|
E

K
|
K

C
x
Y

I
x
L

V

E

N

N

P

P

K

R

H
|
H

I

V

E

E

A

I

Q

Q

I

V

L

L

G

A

D

D

S

G

F

Q

G

G

N

N

V

A

V

I

H

Y

L

L

F

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

I

V

E

E

I

E

A

A

P

P

S

A

P

P

Q

G

L

I

T

T

P

P

E

E

Q

L

R

R

A

R

Y

Y

I

I

G

G

D

E

L

R

A

C

V

A

R

K

A

A

A

C

K

V

A

D

V

I

N

G

Y

Y

E

R

N

G

A

A

G

G

T
|
T

V

F

E
|
E

F

F

L
|
L

L

F

A

E

D

N

G

G

E

E

V

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

T

P

I

V

T

T

E

E

E

M

I

I

T

T

G

G

I

V

D

D

I

L

V

I

R

K

E

E

Q

Q

I

L

R

R

I

I

A

A

S

A

G

G

L

Q

P

P

L

L

S

S

V

I

K

K

Q

Q

E

E

D

E

I

V

Q

H

H

V

R

R

G

G

Y

H

A

A

L

V

Q

E

F

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

K

-

N

N

N

T

F

F

L

L

P

P

S

S

F

P

G

G

K

K

I

I

T

T

R

R

Y

F

Y

H

A

A

P

P

G

G

P

F

G

G

V

V

R

R

T

W

D

E

T

S

A

H

I

I

Y

Y

T

A

G

G

Y

Y

T

T

I

V

P

P

F

Y

Y

Y

D
|
D

S

S

M

M

C

I

L

G

K

K

L

L

V

I

V

C

W

Y

A

G

L

E

T

N

W

R

E

D

E

V

A

A

M

I

D

A

R

R

G

M

L

K

R

N

A

A

L

L

D

Q

D

E

M

L

R

I

V

I

Q

D

G

G

V

I

K

K

T

T

T

N

A

V

A

D

Y

L

Y

Q

Q

I

E

R

I

I

L

M

R

N

N

D

P

E

E

N

F

F

R

Q

S

H

G

G

Q

G

F

T

N

N

T
x
I

S

H

F

Y

V

L

E

E

active site: K116 (= K115), K159 (= K157), D196 (≠ A194), H209 (= H207), R235 (= R233), T274 (= T272), E276 (= E274), E288 (= E286), N290 (= N288), R292 (= R290), E296 (= E294), R338 (= R336)
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 (≠ C201), L204 (≠ I202), H209 (= H207), Q233 (= Q231), H236 (≠ N234), K238 (= K236), L278 (= L276), E288 (= E286), R292 (= R290), V295 (= V293), E296 (= E294), R338 (= R336), D382 (= D381), I437 (≠ T436)
binding calcium ion: E87 (= E86), E276 (= E274), E288 (= E286), E288 (= E286), N290 (= N288)

3g8cA Crystal structure of biotin carboxylase in complex with biotin, bicarbonate, adp and mg ion (see paper)
50% identity, 93% coverage: 1:440/471 of query aligns to 1:441/444 of 3g8cA

query
sites
3g8cA

M

M

I

L

K

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

V

L

R

R

A

A

C

C

A

K

E

E

M

L

G

G

I

I

R

K

S

T

V

V

A

A

I

V

F

H

S

S

D

S

A

A

D

D

R

R

H

D

A

L

L

K

H

H

V

V

K

L

R

L

A

A

D

D

E

E

A

T

H

V

S

C

I

I

G

G

A

P

E

A

P

P

-

S

L

V

A

K

G

S

Y

Y

L

L

N

N

P

I

R

P

K

A

L

I

V

I

N

S

L

A

A

A

V

E

E

I

T

T

G

G

C

A

D

V

A

A

L

I

H

H

P

P

G

G

Y
|
Y

G

G

F
|
F

L

L

S

S

E

E

N

N

A

A

E

N

L

F

A

A

E

E

I

Q

C

V

A

E

E

R

R

S

G

G

I

F

K

I

F

F

I

I

G

G

P

P

A

K

A

A

D

E

V

T

I

I

R

R

R

L

M

M

G

G

D

D

K
|
K

T

V

E

S

A

A

R

I

R

A

T

A

M

M

I

K

A

K

A

A

G

G

V

V

P

P

V

C

T

V

P

P

G

G

T

S

E

D

G

G

N

P

V

L

A

G

D

D

-

D

I

M

H

D

E

K

A

N

L

R

S

A

E

I

G

A

D

K

R

R

I

I

G

G

Y

Y

P

P

V

V

M
x
I

L

I

K
|
K

A

A

T

S

S

G

G

G

G
|
G

G

G

R

R

G

G

I
x
M

R

R

R

V

C

V

N

R

S

G

R

D

E

A

E

E

L

L

E

A

Q

Q

N

S

F

I

P

S

R

M

V

T

I

R

S

A

E

E

A

A

T

K

K

A

A

A

F

F

G

S

S

N

A
x
D

E

M

V

V

F

Y

L

M

E
|
E

K
|
K

C
x
Y

I
x
L

V

E

N

N

P

P

K

R

H
|
H

I

V

E

E

A

I

Q

Q

I

V

L

L

G

A

D

D

S

G

F

Q

G

G

N

N

V

A

V

I

H

Y

L

L

F

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

I

V

E

E

I

E

A

A

P

P

S

A

P

P

Q

G

L

I

T

T

P

P

E

E

Q

L

R

R

A

R

Y

Y

I

I

G

G

D

E

L

R

A

C

V

A

R

K

A

A

A

C

K

V

A

D

V

I

N

G

Y

Y

E

R

N

G

A

A

G

G

T
|
T

V

F

E
|
E

F

F

L
|
L

L

F

A

E

D

N

G

G

E

E

V

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

T

P

I

V

T

T

E

E

E

M

I

I

T

T

G

G

I

V

D

D

I

L

V

I

R

K

E

E

Q

Q

I

L

R

R

I

I

A

A

S

A

G

G

L

Q

P

P

L

L

S

S

V

I

K

K

Q

Q

E

E

D

E

I

V

Q

H

H

V

R

R

G

G

Y

H

A

A

L

V

Q

E

F

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

K

-

N

N

N

T

F

F

L

L

P

P

S

S

F

P

G

G

K

K

I

I

T

T

R

R

Y

F

Y

H

A

A

P

P

G

G

P

F

G

G

V

V

R

R

T

W

D

E

T

S

A

H

I

I

Y

Y

T

A

G

G

Y

Y

T

T

I

V

P

P

F

Y

Y

Y

D
|
D

S

S

M

M

C

I

L

G

K

K

L

L

V

I

V

C

W

Y

A

G

L

E

T

N

W

R

E

D

E

V

A

A

M

I

D

A

R

R

G

M

L

K

R

N

A

A

L

L

D

Q

D

E

M

L

R

I

V

I

Q

D

G

G

V

I

K

K

T

T

T

N

A

V

A

D

Y

L

Y

Q

Q

I

E

R

I

I

L

M

R

N

N

D

P

E

E

N

F

F

R

Q

S

H

G

G

Q

G

F

T

N

N

T
x
I

S

H

F

Y

V

L

E

E

active site: K116 (= K115), K159 (= K157), D196 (≠ A194), H209 (= H207), R235 (= R233), T274 (= T272), E276 (= E274), E288 (= E286), N290 (= N288), R292 (= R290), E296 (= E294), R338 (= R336)
binding adenosine-5'-diphosphate: I157 (≠ M155), K159 (= K157), G164 (= G162), M169 (≠ I167), E201 (= E199), K202 (= K200), Y203 (≠ C201), L204 (≠ I202), Q233 (= Q231), H236 (≠ N234), L278 (= L276), E288 (= E286), I437 (≠ T436)
binding bicarbonate ion: K238 (= K236), R292 (= R290), Q294 (= Q292), V295 (= V293), E296 (= E294)
binding biotin: Y82 (= Y81), F84 (= F83), R292 (= R290), V295 (= V293), R338 (= R336), D382 (= D381)
binding magnesium ion: E276 (= E274), E288 (= E286)

3jziA Crystal structure of biotin carboxylase from e. Coli in complex with benzimidazole series (see paper)
50% identity, 93% coverage: 1:440/471 of query aligns to 1:441/445 of 3jziA

query
sites
3jziA

M

M

I

L

K

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

V

L

R

R

A

A

C

C

A

K

E

E

M

L

G

G

I

I

R

K

S

T

V

V

A

A

I

V

F

H

S

S

D

S

A

A

D

D

R

R

H

D

A

L

L

K

H

H

V

V

K

L

R

L

A

A

D

D

E

E

A

T

H

V

S

C

I

I

G

G

A

P

E

A

P

P

-

S

L

V

A

K

G

S

Y

Y

L

L

N

N

P

I

R

P

K

A

L

I

V

I

N

S

L

A

A

A

V

E

E

I

T

T

G

G

C

A

D

V

A

A

L

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

E

N

L

F

A

A

E

E

I

Q

C

V

A

E

E

R

R

S

G

G

I

F

K

I

F

F

I

I

G

G

P

P

A

K

A

A

D

E

V

T

I

I

R

R

R

L

M

M

G

G

D

D

K
|
K

T

V

E

S

A

A

R

I

R

A

T

A

M

M

I

K

A

K

A

A

G

G

V

V

P

P

V

C

T

V

P

P

G

G

T

S

E

D

G

G

N

P

V

L

A

G

D

D

-

D

I

M

H

D

E

K

A

N

L

R

S

A

E

I

G

A

D

K

R

R

I

I

G

G

Y

Y

P

P

V

V

M

I

L

I

K
|
K

A
|
A

T

S

S

G

G

G

G
|
G

G

G

R

R

G

G

I
x
M

R

R

R

V

C

V

N

R

S

G

R

D

E

A

E

E

L

L

E

A

Q

Q

N

S

F

I

P

S

R

M

V

T

I

R

S

A

E

E

A

A

T

K

K

A

A

A

F

F

G

S

S

N

A
x
D

E

M

V

V

F
x
Y

L

M

E
|
E

K
|
K

C
x
Y

I

L

V

E

N

N

P

P

K

R

H
|
H

I

V

E

E

A

I

Q

Q

I

V

L

L

G

A

D

D

S

G

F

Q

G

G

N

N

V

A

V

I

H

Y

L

L

F

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

I

V

E

E

I

E

A

A

P

P

S

A

P

P

Q

G

L

I

T

T

P

P

E

E

Q

L

R

R

A

R

Y

Y

I

I

G

G

D

E

L

R

A

C

V

A

R

K

A

A

A

C

K

V

A

D

V

I

N

G

Y

Y

E

R

N

G

A

A

G

G

T
|
T

V

F

E
|
E

F

F

L
|
L

L

F

A

E

D

N

G

G

E

E

V

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

T

P

I

V

T

T

E

E

E

M

I

I

T

T

G

G

I

V

D

D

I

L

V

I

R

K

E

E

Q

Q

I

L

R

R

I

I

A

A

S

A

G

G

L

Q

P

P

L

L

S

S

V

I

K

K

Q

Q

E

E

D

E

I

V

Q

H

H

V

R

R

G

G

Y

H

A

A

L

V

Q

E

F

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

K

-

N

N

N

T

F

F

L

L

P

P

S

S

F

P

G

G

K

K

I

I

T

T

R

R

Y

F

Y

H

A

A

P

P

G

G

P

F

G

G

V

V

R

R

T

W

D

E

T

S

A

H

I

I

Y

Y

T

A

G

G

Y

Y

T

T

I

V

P

P

F

Y

Y

Y

D

D

S

S

M

M

C

I

L

G

K

K

L

L

V

I

V

C

W

Y

A

G

L

E

T

N

W

R

E

D

E

V

A

A

M

I

D

A

R

R

G

M

L

K

R

N

A

A

L

L

D

Q

D

E

M

L

R

I

V

I

Q

D

G

G

V

I

K

K

T

T

T

N

A

V

A

D

Y

L

Y

Q

Q

I

E

R

I

I

L

M

R

N

N

D

P

E

E

N

F

F

R

Q

S

H

G

G

Q

G

F

T

N

N

T

I

S

H

F

Y

V

L

E

E

active site: K116 (= K115), K159 (= K157), D196 (≠ A194), H209 (= H207), R235 (= R233), T274 (= T272), E276 (= E274), E288 (= E286), N290 (= N288), R292 (= R290), E296 (= E294), R338 (= R336)
binding 7-amino-2-[(2-chlorobenzyl)amino]-1-{[(1S,2S)-2-hydroxycycloheptyl]methyl}-1H-benzimidazole-5-carboxamide: K116 (= K115), K159 (= K157), A160 (= A158), G164 (= G162), G165 (= G163), M169 (≠ I167), Y199 (≠ F197), E201 (= E199), K202 (= K200), Y203 (≠ C201), H209 (= H207), Q233 (= Q231), H236 (≠ N234), L278 (= L276), I287 (≠ M285), E288 (= E286)

2w6oA Crystal structure of biotin carboxylase from e. Coli in complex with 4-amino-7,7-dimethyl-7,8-dihydro-quinazolinone fragment (see paper)
50% identity, 93% coverage: 1:440/471 of query aligns to 1:441/445 of 2w6oA

query
sites
2w6oA

M

M

I

L

K

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

V

L

R

R

A

A

C

C

A

K

E

E

M

L

G

G

I

I

R

K

S

T

V

V

A

A

I

V

F

H

S

S

D

S

A

A

D

D

R

R

H

D

A

L

L

K

H

H

V

V

K

L

R

L

A

A

D

D

E

E

A

T

H

V

S

C

I

I

G

G

A

P

E

A

P

P

-

S

L

V

A

K

G

S

Y

Y

L

L

N

N

P

I

R

P

K

A

L

I

V

I

N

S

L

A

A

A

V

E

E

I

T

T

G

G

C

A

D

V

A

A

L

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

E

N

L

F

A

A

E

E

I

Q

C

V

A

E

E

R

R

S

G

G

I

F

K

I

F

F

I

I

G

G

P

P

A

K

A

A

D

E

V

T

I

I

R

R

R

L

M

M

G

G

D

D

K
|
K

T

V

E

S

A

A

R

I

R

A

T

A

M

M

I

K

A

K

A

A

G

G

V

V

P

P

V

C

T

V

P

P

G

G

T

S

E

D

G

G

N

P

V

L

A

G

D

D

-

D

I

M

H

D

E

K

A

N

L

R

S

A

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I

G

A

D

K

R

R

I

I

G

G

Y

Y

P

P

V

V

M

I

L

I

K
|
K

A

A

T

S

S

G

G

G

R

R

G

G

I

M

R

R

R

V

C

V

N

R

S

G

R

D

E

A

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E

L

L

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A

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Q

N

S

F

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P

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M

V

T

I

R

S

A

E

E

A

A

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K

K

A

A

A

F

F

G

S

S

N

A
x
D

E

M

V

V

F

Y

L

M

E

E

K
|
K

C
x
Y

I
x
L

V

E

N

N

P

P

K

R

H
|
H

I

V

E

E

A

I

Q

Q

I

V

L

L

G

A

D

D

S

G

F

Q

G

G

N

N

V

A

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R

R

D

D

C

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|
R

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K

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|
T

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|
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|
L

L

F

A

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D

N

G

G

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F

Y

Y

F

F

M

I

E
|
E

M

M

N
|
N

T

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R
|
R

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Q

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V

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|
E

H

H

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K

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E

I

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H

V

R

R

G

G

Y

H

A

A

L

V

Q

E

F

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

K

-

N

N

N

T

F

F

L

L

P

P

S

S

F

P

G

G

K

K

I

I

T

T

R

R

Y

F

Y

H

A

A

P

P

G

G

P

F

G

G

V

V

R

R

T

W

D

E

T

S

A

H

I

I

Y

Y

T

A

G

G

Y

Y

T

T

I

V

P

P

F

Y

Y

Y

D

D

S

S

M

M

C

I

L

G

K

K

L

L

V

I

V

C

W

Y

A

G

L

E

T

N

W

R

E

D

E

V

A

A

M

I

D

A

R

R

G

M

L

K

R

N

A

A

L

L

D

Q

D

E

M

L

R

I

V

I

Q

D

G

G

V

I

K

K

T

T

T

N

A

V

A

D

Y

L

Y

Q

Q

I

E

R

I

I

L

M

R

N

N

D

P

E

E

N

F

F

R

Q

S

H

G

G

Q

G

F

T

N

N

T
x
I

S

H

F

Y

V

L

E

E

active site: K116 (= K115), K159 (= K157), D196 (≠ A194), H209 (= H207), R235 (= R233), T274 (= T272), E276 (= E274), E288 (= E286), N290 (= N288), R292 (= R290), E296 (= E294), R338 (= R336)
binding 4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one: K159 (= K157), K202 (= K200), Y203 (≠ C201), L204 (≠ I202), L278 (= L276), I437 (≠ T436)

Query Sequence

>PP_5347 PP_5347 pyruvate carboxylase subunit A
MIKKILIANRGEIAVRIVRACAEMGIRSVAIFSDADRHALHVKRADEAHSIGAEPLAGYL
NPRKLVNLAVETGCDALHPGYGFLSENAELAEICAERGIKFIGPAADVIRRMGDKTEARR
TMIAAGVPVTPGTEGNVADIHEALSEGDRIGYPVMLKATSGGGGRGIRRCNSREELEQNF
PRVISEATKAFGSAEVFLEKCIVNPKHIEAQILGDSFGNVVHLFERDCSIQRRNQKLIEI
APSPQLTPEQRAYIGDLAVRAAKAVNYENAGTVEFLLADGEVYFMEMNTRVQVEHTITEE
ITGIDIVREQIRIASGLPLSVKQEDIQHRGYALQFRINAEDPKNNFLPSFGKITRYYAPG
GPGVRTDTAIYTGYTIPPFYDSMCLKLVVWALTWEEAMDRGLRALDDMRVQGVKTTAAYY
QEILRNPEFRSGQFNTSFVESHPELTNYSIKRKPEELALAIAAAIAAHAGL

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