SitesBLAST

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)
69% identity, 100% coverage: 1:445/447 of query aligns to 1:440/440 of 6oi8A

query
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6oi8A

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active site: K116 (= K116), K159 (= K159), D191 (≠ P196), H204 (= H209), R230 (= R235), T269 (= T274), E271 (= E276), E283 (= E288), N285 (= N290), R287 (= R292), E291 (= E296), R333 (= R338)
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 (= I157), K159 (= K159), M164 (= M169), E196 (= E201), Y198 (≠ F203), L199 (= L204), H204 (= H209), Q228 (= Q233), E271 (= E276), L273 (= L278), E283 (= E288), I432 (= I437)

P24182 Biotin carboxylase; Acetyl-coenzyme A carboxylase biotin carboxylase subunit A; EC 6.3.4.14 from Escherichia coli (strain K12) (see 3 papers)
71% identity, 100% coverage: 1:447/447 of query aligns to 1:447/449 of P24182

query
sites
P24182

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R19 (= R19) mutation to E: Loss of homodimerization. No effect on ATP binding.
E23 (= E23) mutation to R: Loss of homodimerization. No effect on ATP binding.
K116 (= K116) binding ATP
K159 (= K159) binding ATP
GG 165:166 (= GG 165:166) binding ATP
EKYL 201:204 (≠ EKFL 201:204) binding ATP
H209 (= H209) binding ATP
H236 (= H236) binding ATP
K238 (= K238) binding hydrogencarbonate
E276 (= E276) binding ATP; binding Mg(2+)
E288 (= E288) binding ATP; binding Mg(2+)
R292 (= R292) active site; binding hydrogencarbonate
V295 (= V295) binding hydrogencarbonate
E296 (= E296) mutation to A: Severe reduction in catalytic activity.
R338 (= R338) binding biotin; binding hydrogencarbonate; mutation to A: Severe reduction in catalytic activity.
F363 (≠ P363) mutation to A: Loss of homodimerization. No effect on ATP binding.
R366 (= R366) mutation to E: Loss of homodimerization. No effect on ATP binding.

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)
71% identity, 100% coverage: 1:446/447 of query aligns to 1:446/446 of 6oi9A

query
sites
6oi9A

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T

F

F

I

L

P

P

S

S

P

P

G

G

P

K

I

I

K

T

L

R

F

F

H

H

A

A

P

P

G

G

P

F

G

G

I

V

R

R

I

W

D

E

S

S

H

H

L

I

Y

Y

S

A

G

G

Y

Y

T

T

V

V

P

P

H

Y

Y

Y

D

D

S

S

M

M

I

I

G

G

K

K

V

L

I

I

A

C

Y

Y

G

G

E

E

D

N

R

R

D

D

T

V

A

A

I

I

V

A

R

R

M

M

K

K

N

N

A

A

L

L

S

Q

E

E

M

L

V

I

I

I

E

D

G

G

I

I

K

K

T

T

N

N

I

V

P

D

L

L

H

Q

Q

I

E

R

I

I

F

M

N

N

H

D

A

E

A

N

F

F

K

Q

A

H

G

G

L

T

D

N

I
|
I

H

H

Y

Y

L

L

E

E

R

K

L

L

G

G

I

L

active site: E276 (= E276), E288 (= E288), N290 (= N290), E296 (= E296), R338 (= R338)
binding 7-[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-2-amine: K159 (= K159), M169 (= M169), E201 (= E201), Y203 (≠ F203), L204 (= L204), H209 (= H209), Q233 (= Q233), H236 (= H236), E276 (= E276), L278 (= L278), E288 (= E288), I437 (= I437)

2w71A Crystal structure of biotin carboxylase from e. Coli in complex with the imidazole-pyrimidine inhibitor (see paper)
71% identity, 100% coverage: 1:446/447 of query aligns to 1:446/446 of 2w71A

query
sites
2w71A

M

M

L

L

E

D

K

K

V

I

V

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

L

L

R

R

A

A

C

C

R

K

E

E

L

L

G

G

I

I

K

K

T

T

V

V

A

A

V

V

H

H

S

S

T

S

A

A

D

D

F

R

N

D

L

L

Q

K

H

H

V

V

L

L

A

A

D

D

E

E

S

T

V

V

C

C

I

I

G

G

P

P

P

A

A

P

S

S

K

V

D

K

S

S

Y

Y

L

L

N

N

M

I

P

P

A

A

I

I

S

S

A

A

E

E

V

I

T

T

D

G

S

A

V

V

A

A

I

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

R

Q

V

V

E

E

K

R

S

S

G

G

F

F

I

I

F

F

V

I

G

G

P

P

K

K

A

A

E

E

T

T

I

I

R

R

L

L

M

M

G

G

D

D

K
|
K

V

V

S

S

A

A

I

I

R

A

L

A

M

M

K

K

A

K

A

A

G

G

V

V

P

P

C

C

V

V

P

P

G

G

S

S

G

D

G

G

P

P

L

L

G

G

G

D

E

D

P

M

D

D

E

K

N

N

F

R

R

A

I

I

A

A

R

K

E

R

L

I

G

G

Y

Y

P

P

V

V

I

I

K
|
K

A

A

A

S

G

G

R

R

G

G

M

M

R

R

V

V

H

R

S

G

E

D

A

A

T

E

L

L

L

A

N

Q

A

S

I

I

N

S

V

M

T

T

Q

R

A

A

E

E

A

A

A

K

A

A

F

F

G

S

N

N

P
x
D

E

M

V

V

Y

Y

M

M

E

E

K

K

F
x
Y

L
|
L

E

E

K

N

P

P

R

R

H
|
H

I

V

E

E

I

I

Q

Q

V

V

L

L

A

A

D

D

H

G

Y

Q

G

G

N

N

V

A

V

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q
|
Q

R

R

R
|
R

H
|
H

Q

Q

K

K

V

V

I

V

E

E

A

A

P

P

A

A

P

P

G

G

I

I

S

T

V

P

K

E

Q

L

R

R

K

R

S

Y

I

I

G

G

D

E

R

R

C

C

I

A

A

K

A

A

C

C

R

V

E

D

V

I

G

G

Y

Y

R

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

F

F

L
|
L

Y

F

Q

E

D

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

V

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

Q

M

I

I

T

T

G

G

I

V

D

D

I

L

V

I

K

K

A

E

Q

Q

L

L

R

R

I

I

A

A

G

G

E

Q

R

P

L

L

P

S

W

I

A

K

Q

Q

N

E

D

E

I

V

V

H

F

V

R

R

G

G

H

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

N

N

G

T

F

F

I

L

P

P

S

S

P

P

G

G

P

K

I

I

K

T

L

R

F

F

H

H

A

A

P

P

G

G

P

F

G

G

I

V

R

R

I

W

D

E

S

S

H

H

L

I

Y

Y

S

A

G

G

Y

Y

T

T

V

V

P

P

H

Y

Y

Y

D

D

S

S

M

M

I

I

G

G

K

K

V

L

I

I

A

C

Y

Y

G

G

E

E

D

N

R

R

D

D

T

V

A

A

I

I

V

A

R

R

M

M

K

K

N

N

A

A

L

L

S

Q

E

E

M

L

V

I

I

I

E

D

G

G

I

I

K

K

T

T

N

N

I

V

P

D

L

L

H

Q

Q

I

E

R

I

I

F

M

N

N

H

D

A

E

A

N

F

F

K

Q

A

H

G

G

L

T

D

N

I
|
I

H

H

Y

Y

L

L

E

E

R

K

L

L

G

G

I

L

active site: K116 (= K116), K159 (= K159), D196 (≠ P196), H209 (= H209), R235 (= R235), T274 (= T274), E276 (= E276), E288 (= E288), N290 (= N290), R292 (= R292), E296 (= E296), R338 (= R338)
binding 4-[1-(2,6-dichlorobenzyl)-2-methyl-1H-imidazol-4-yl]pyrimidin-2-amine: K159 (= K159), Y203 (≠ F203), L204 (= L204), H209 (= H209), Q233 (= Q233), H236 (= H236), L278 (= L278), I437 (= I437)

2w70A Crystal structure of biotin carboxylase from e. Coli in complex with the amino-thiazole-pyrimidine fragment (see paper)
71% identity, 100% coverage: 1:446/447 of query aligns to 1:446/446 of 2w70A

query
sites
2w70A

M

M

L

L

E

D

K

K

V

I

V

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

L

L

R

R

A

A

C

C

R

K

E

E

L

L

G

G

I

I

K

K

T

T

V

V

A

A

V

V

H

H

S

S

T

S

A

A

D

D

F

R

N

D

L

L

Q

K

H

H

V

V

L

L

A

A

D

D

E

E

S

T

V

V

C

C

I

I

G

G

P

P

P

A

A

P

S

S

K

V

D

K

S

S

Y

Y

L

L

N

N

M

I

P

P

A

A

I

I

S

S

A

A

E

E

V

I

T

T

D

G

S

A

V

V

A

A

I

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

R

Q

V

V

E

E

K

R

S

S

G

G

F

F

I

I

F

F

V

I

G

G

P

P

K

K

A

A

E

E

T

T

I

I

R

R

L

L

M

M

G

G

D

D

K
|
K

V

V

S

S

A

A

I

I

R

A

L

A

M

M

K

K

A

K

A

A

G

G

V

V

P

P

C

C

V

V

P

P

G

G

S

S

G

D

G

G

P

P

L

L

G

G

G

D

E

D

P

M

D

D

E

K

N

N

F

R

R

A

I

I

A

A

R

K

E

R

L

I

G

G

Y

Y

P

P

V

V

I
|
I

I

I

K
|
K

A

A

A

S

G

G

G
|
G

R

R

G

G

M
|
M

R

R

V

V

H

R

S

G

E

D

A

A

T

E

L

L

L

A

N

Q

A

S

I

I

N

S

V

M

T

T

Q

R

A

A

E

E

A

A

A

K

A

A

F

F

G

S

N

N

P
x
D

E

M

V

V

Y

Y

M

M

E
|
E

K

K

F
x
Y

L
|
L

E

E

K

N

P

P

R

R

H
|
H

I

V

E

E

I

I

Q

Q

V

V

L

L

A

A

D

D

H

G

Y

Q

G

G

N

N

V

A

V

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q

Q

R

R

R
|
R

H

H

Q

Q

K

K

V

V

I

V

E

E

A

A

P

P

A

A

P

P

G

G

I

I

S

T

V

P

K

E

Q

L

R

R

K

R

S

Y

I

I

G

G

D

E

R

R

C

C

I

A

A

K

A

A

C

C

R

V

E

D

V

I

G

G

Y

Y

R

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

F

F

L
|
L

Y

F

Q

E

D

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

V

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

Q

M

I

I

T

T

G

G

I

V

D

D

I

L

V

I

K

K

A

E

Q

Q

L

L

R

R

I

I

A

A

G

G

E

Q

R

P

L

L

P

S

W

I

A

K

Q

Q

N

E

D

E

I

V

V

H

F

V

R

R

G

G

H

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

N

N

G

T

F

F

I

L

P

P

S

S

P

P

G

G

P

K

I

I

K

T

L

R

F

F

H

H

A

A

P

P

G

G

P

F

G

G

I

V

R

R

I

W

D

E

S

S

H

H

L

I

Y

Y

S

A

G

G

Y

Y

T

T

V

V

P

P

H

Y

Y

Y

D

D

S

S

M

M

I

I

G

G

K

K

V

L

I

I

A

C

Y

Y

G

G

E

E

D

N

R

R

D

D

T

V

A

A

I

I

V

A

R

R

M

M

K

K

N

N

A

A

L

L

S

Q

E

E

M

L

V

I

I

I

E

D

G

G

I

I

K

K

T

T

N

N

I

V

P

D

L

L

H

Q

Q

I

E

R

I

I

F

M

N

N

H

D

A

E

A

N

F

F

K

Q

A

H

G

G

L

T

D

N

I

I

H

H

Y

Y

L

L

E

E

R

K

L

L

G

G

I

L

active site: K116 (= K116), K159 (= K159), D196 (≠ P196), H209 (= H209), R235 (= R235), T274 (= T274), E276 (= E276), E288 (= E288), N290 (= N290), R292 (= R292), E296 (= E296), R338 (= R338)
binding 4-(2-amino-1,3-thiazol-4-yl)pyrimidin-2-amine: I157 (= I157), K159 (= K159), G166 (= G166), M169 (= M169), E201 (= E201), Y203 (≠ F203), L204 (= L204), L278 (= L278)

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)
71% identity, 100% coverage: 1:446/447 of query aligns to 1:446/446 of 2w6zA

query
sites
2w6zA

M

M

L

L

E

D

K

K

V

I

V

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

L

L

R

R

A

A

C

C

R

K

E

E

L

L

G

G

I

I

K

K

T

T

V

V

A

A

V

V

H

H

S

S

T

S

A

A

D

D

F

R

N

D

L

L

Q

K

H

H

V

V

L

L

A

A

D

D

E

E

S

T

V

V

C

C

I

I

G

G

P

P

P

A

A

P

S

S

K

V

D

K

S

S

Y

Y

L

L

N

N

M

I

P

P

A

A

I

I

S

S

A

A

E

E

V

I

T

T

D

G

S

A

V

V

A

A

I

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

R

Q

V

V

E

E

K

R

S

S

G

G

F

F

I

I

F

F

V

I

G

G

P

P

K

K

A

A

E

E

T

T

I

I

R

R

L

L

M

M

G

G

D

D

K
|
K

V

V

S

S

A

A

I

I

R

A

L

A

M

M

K

K

A

K

A

A

G

G

V

V

P

P

C

C

V

V

P

P

G

G

S

S

G

D

G

G

P

P

L

L

G

G

G

D

E

D

P

M

D

D

E

K

N

N

F

R

R

A

I

I

A

A

R

K

E

R

L

I

G

G

Y

Y

P

P

V

V

I

I

K
|
K

A

A

A

S

G

G

R

R

G

G

M

M

R

R

V

V

H

R

S

G

E

D

A

A

T

E

L

L

L

A

N

Q

A

S

I

I

N

S

V

M

T

T

Q

R

A

A

E

E

A

A

A

K

A

A

F

F

G

S

N

N

P
x
D

E

M

V

V

Y

Y

M

M

E

E

K

K

F
x
Y

L
|
L

E

E

K

N

P

P

R

R

H
|
H

I

V

E

E

I

I

Q

Q

V

V

L

L

A

A

D

D

H

G

Y

Q

G

G

N

N

V

A

V

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q

Q

R

R

R
|
R

H

H

Q

Q

K

K

V

V

I

V

E

E

A

A

P

P

A

A

P

P

G

G

I

I

S

T

V

P

K

E

Q

L

R

R

K

R

S

Y

I

I

G

G

D

E

R

R

C

C

I

A

A

K

A

A

C

C

R

V

E

D

V

I

G

G

Y

Y

R

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

F

F

L
|
L

Y

F

Q

E

D

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

V

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

Q

M

I

I

T

T

G

G

I

V

D

D

I

L

V

I

K

K

A

E

Q

Q

L

L

R

R

I

I

A

A

G

G

E

Q

R

P

L

L

P

S

W

I

A

K

Q

Q

N

E

D

E

I

V

V

H

F

V

R

R

G

G

H

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

N

N

G

T

F

F

I

L

P

P

S

S

P

P

G

G

P

K

I

I

K

T

L

R

F

F

H

H

A

A

P

P

G

G

P

F

G

G

I

V

R

R

I

W

D

E

S

S

H

H

L

I

Y

Y

S

A

G

G

Y

Y

T

T

V

V

P

P

H

Y

Y

Y

D

D

S

S

M

M

I

I

G

G

K

K

V

L

I

I

A

C

Y

Y

G

G

E

E

D

N

R

R

D

D

T

V

A

A

I

I

V

A

R

R

M

M

K

K

N

N

A

A

L

L

S

Q

E

E

M

L

V

I

I

I

E

D

G

G

I

I

K

K

T

T

N

N

I

V

P

D

L

L

H

Q

Q

I

E

R

I

I

F

M

N

N

H

D

A

E

A

N

F

F

K

Q

A

H

G

G

L

T

D

N

I

I

H

H

Y

Y

L

L

E

E

R

K

L

L

G

G

I

L

active site: K116 (= K116), K159 (= K159), D196 (≠ P196), H209 (= H209), R235 (= R235), T274 (= T274), E276 (= E276), E288 (= E288), N290 (= N290), R292 (= R292), E296 (= E296), R338 (= R338)
binding 3-(3-methylbut-2-en-1-yl)-3H-purin-6-amine: K159 (= K159), Y203 (≠ F203), L204 (= L204), L278 (= L278)

2w6qA Crystal structure of biotin carboxylase from e. Coli in complex with the triazine-2,4-diamine fragment (see paper)
71% identity, 100% coverage: 1:446/447 of query aligns to 1:446/446 of 2w6qA

query
sites
2w6qA

M

M

L

L

E

D

K

K

V

I

V

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

L

L

R

R

A

A

C

C

R

K

E

E

L

L

G

G

I

I

K

K

T

T

V

V

A

A

V

V

H

H

S

S

T

S

A

A

D

D

F

R

N

D

L

L

Q

K

H

H

V

V

L

L

A

A

D

D

E

E

S

T

V

V

C

C

I

I

G

G

P

P

P

A

A

P

S

S

K

V

D

K

S

S

Y

Y

L

L

N

N

M

I

P

P

A

A

I

I

S

S

A

A

E

E

V

I

T

T

D

G

S

A

V

V

A

A

I

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

R

Q

V

V

E

E

K

R

S

S

G

G

F

F

I

I

F

F

V

I

G

G

P

P

K

K

A

A

E

E

T

T

I

I

R

R

L

L

M

M

G

G

D

D

K
|
K

V

V

S

S

A

A

I

I

R

A

L

A

M

M

K

K

A

K

A

A

G

G

V

V

P

P

C

C

V

V

P

P

G

G

S

S

G

D

G

G

P

P

L

L

G

G

G

D

E

D

P

M

D

D

E

K

N

N

F

R

R

A

I

I

A

A

R

K

E

R

L

I

G

G

Y

Y

P

P

V

V

I
|
I

I

I

K
|
K

A

A

A

S

G

G

R

R

G

G

M

M

R

R

V

V

H

R

S

G

E

D

A

A

T

E

L

L

L

A

N

Q

A

S

I

I

N

S

V

M

T

T

Q

R

A

A

E

E

A

A

A

K

A

A

F

F

G

S

N

N

P
x
D

E

M

V

V

Y

Y

M

M

E
|
E

K
|
K

F
x
Y

L
|
L

E

E

K

N

P

P

R

R

H
|
H

I

V

E

E

I

I

Q

Q

V

V

L

L

A

A

D

D

H

G

Y

Q

G

G

N

N

V

A

V

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q

Q

R

R

R
|
R

H
|
H

Q

Q

K

K

V

V

I

V

E

E

A

A

P

P

A

A

P

P

G

G

I

I

S

T

V

P

K

E

Q

L

R

R

K

R

S

Y

I

I

G

G

D

E

R

R

C

C

I

A

A

K

A

A

C

C

R

V

E

D

V

I

G

G

Y

Y

R

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

F

F

L
|
L

Y

F

Q

E

D

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

V

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

Q

M

I

I

T

T

G

G

I

V

D

D

I

L

V

I

K

K

A

E

Q

Q

L

L

R

R

I

I

A

A

G

G

E

Q

R

P

L

L

P

S

W

I

A

K

Q

Q

N

E

D

E

I

V

V

H

F

V

R

R

G

G

H

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

N

N

G

T

F

F

I

L

P

P

S

S

P

P

G

G

P

K

I

I

K

T

L

R

F

F

H

H

A

A

P

P

G

G

P

F

G

G

I

V

R

R

I

W

D

E

S

S

H

H

L

I

Y

Y

S

A

G

G

Y

Y

T

T

V

V

P

P

H

Y

Y

Y

D

D

S

S

M

M

I

I

G

G

K

K

V

L

I

I

A

C

Y

Y

G

G

E

E

D

N

R

R

D

D

T

V

A

A

I

I

V

A

R

R

M

M

K

K

N

N

A

A

L

L

S

Q

E

E

M

L

V

I

I

I

E

D

G

G

I

I

K

K

T

T

N

N

I

V

P

D

L

L

H

Q

Q

I

E

R

I

I

F

M

N

N

H

D

A

E

A

N

F

F

K

Q

A

H

G

G

L

T

D

N

I

I

H

H

Y

Y

L

L

E

E

R

K

L

L

G

G

I

L

active site: K116 (= K116), K159 (= K159), D196 (≠ P196), H209 (= H209), R235 (= R235), T274 (= T274), E276 (= E276), E288 (= E288), N290 (= N290), R292 (= R292), E296 (= E296), R338 (= R338)
binding 6-(2-phenoxyethoxy)-1,3,5-triazine-2,4-diamine: I157 (= I157), K159 (= K159), E201 (= E201), K202 (= K202), Y203 (≠ F203), L204 (= L204), H236 (= H236), L278 (= L278)

2w6pA Crystal structure of biotin carboxylase from e. Coli in complex with 5-methyl-6-phenyl-quinazoline-2,4-diamine (see paper)
71% identity, 100% coverage: 1:446/447 of query aligns to 1:446/446 of 2w6pA

query
sites
2w6pA

M

M

L

L

E

D

K

K

V

I

V

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

L

L

R

R

A

A

C

C

R

K

E

E

L

L

G

G

I

I

K

K

T

T

V

V

A

A

V

V

H

H

S

S

T

S

A

A

D

D

F

R

N

D

L

L

Q

K

H

H

V

V

L

L

A

A

D

D

E

E

S

T

V

V

C

C

I

I

G

G

P

P

P

A

A

P

S

S

K

V

D

K

S

S

Y

Y

L

L

N

N

M

I

P

P

A

A

I

I

S

S

A

A

E

E

V

I

T

T

D

G

S

A

V

V

A

A

I

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

R

Q

V

V

E

E

K

R

S

S

G

G

F

F

I

I

F

F

V

I

G

G

P

P

K

K

A

A

E

E

T

T

I

I

R

R

L

L

M

M

G

G

D

D

K
|
K

V

V

S

S

A

A

I

I

R

A

L

A

M

M

K

K

A

K

A

A

G

G

V

V

P

P

C

C

V

V

P

P

G

G

S

S

G

D

G

G

P

P

L

L

G

G

G

D

E

D

P

M

D

D

E

K

N

N

F

R

R

A

I

I

A

A

R

K

E

R

L

I

G

G

Y

Y

P

P

V

V

I

I

K
|
K

A

A

A

S

G

G

R

R

G

G

M

M

R

R

V

V

H

R

S

G

E

D

A

A

T

E

L

L

L

A

N

Q

A

S

I

I

N

S

V

M

T

T

Q

R

A

A

E

E

A

A

A

K

A

A

F

F

G

S

N

N

P
x
D

E

M

V

V

Y

Y

M

M

E

E

K

K

F
x
Y

L
|
L

E

E

K

N

P

P

R

R

H
|
H

I

V

E

E

I

I

Q

Q

V

V

L

L

A

A

D

D

H

G

Y

Q

G

G

N

N

V

A

V

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q
|
Q

R

R

R
|
R

H
|
H

Q

Q

K

K

V

V

I

V

E

E

A

A

P

P

A

A

P

P

G

G

I

I

S

T

V

P

K

E

Q

L

R

R

K

R

S

Y

I

I

G

G

D

E

R

R

C

C

I

A

A

K

A

A

C

C

R

V

E

D

V

I

G

G

Y

Y

R

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

F

F

L
|
L

Y

F

Q

E

D

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

V

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

Q

M

I

I

T

T

G

G

I

V

D

D

I

L

V

I

K

K

A

E

Q

Q

L

L

R

R

I

I

A

A

G

G

E

Q

R

P

L

L

P

S

W

I

A

K

Q

Q

N

E

D

E

I

V

V

H

F

V

R

R

G

G

H

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

N

N

G

T

F

F

I

L

P

P

S

S

P

P

G

G

P

K

I

I

K

T

L

R

F

F

H

H

A

A

P

P

G

G

P

F

G

G

I

V

R

R

I

W

D

E

S

S

H

H

L

I

Y

Y

S

A

G

G

Y

Y

T

T

V

V

P

P

H

Y

Y

Y

D

D

S

S

M

M

I

I

G

G

K

K

V

L

I

I

A

C

Y

Y

G

G

E

E

D

N

R

R

D

D

T

V

A

A

I

I

V

A

R

R

M

M

K

K

N

N

A

A

L

L

S

Q

E

E

M

L

V

I

I

I

E

D

G

G

I

I

K

K

T

T

N

N

I

V

P

D

L

L

H

Q

Q

I

E

R

I

I

F

M

N

N

H

D

A

E

A

N

F

F

K

Q

A

H

G

G

L

T

D

N

I
|
I

H

H

Y

Y

L

L

E

E

R

K

L

L

G

G

I

L

active site: K116 (= K116), K159 (= K159), D196 (≠ P196), H209 (= H209), R235 (= R235), T274 (= T274), E276 (= E276), E288 (= E288), N290 (= N290), R292 (= R292), E296 (= E296), R338 (= R338)
binding 5-methyl-6-phenylquinazoline-2,4-diamine: K159 (= K159), Y203 (≠ F203), L204 (= L204), Q233 (= Q233), H236 (= H236), L278 (= L278), I437 (= I437)

2w6mA Crystal structure of biotin carboxylase from e. Coli in complex with amino-oxazole fragment series (see paper)
71% identity, 100% coverage: 1:446/447 of query aligns to 1:446/446 of 2w6mA

query
sites
2w6mA

M

M

L

L

E

D

K

K

V

I

V

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

L

L

R

R

A

A

C

C

R

K

E

E

L

L

G

G

I

I

K

K

T

T

V

V

A

A

V

V

H

H

S

S

T

S

A

A

D

D

F

R

N

D

L

L

Q

K

H

H

V

V

L

L

A

A

D

D

E

E

S

T

V

V

C

C

I

I

G

G

P

P

P

A

A

P

S

S

K

V

D

K

S

S

Y

Y

L

L

N

N

M

I

P

P

A

A

I

I

S

S

A

A

E

E

V

I

T

T

D

G

S

A

V

V

A

A

I

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

R

Q

V

V

E

E

K

R

S

S

G

G

F

F

I

I

F

F

V

I

G

G

P

P

K

K

A

A

E

E

T

T

I

I

R

R

L

L

M

M

G

G

D

D

K
|
K

V

V

S

S

A

A

I

I

R

A

L

A

M

M

K

K

A

K

A

A

G

G

V

V

P

P

C

C

V

V

P

P

G

G

S

S

G

D

G

G

P

P

L

L

G

G

G

D

E

D

P

M

D

D

E

K

N

N

F

R

R

A

I

I

A

A

R

K

E

R

L

I

G

G

Y

Y

P

P

V

V

I
|
I

I

I

K
|
K

A

A

A

S

G

G

R

R

G

G

M
|
M

R

R

V

V

H

R

S

G

E

D

A

A

T

E

L

L

L

A

N

Q

A

S

I

I

N

S

V

M

T

T

Q

R

A

A

E

E

A

A

A

K

A

A

F

F

G

S

N

N

P
x
D

E

M

V

V

Y

Y

M

M

E
|
E

K
|
K

F
x
Y

L

L

E

E

K

N

P

P

R

R

H
|
H

I

V

E

E

I

I

Q

Q

V

V

L

L

A

A

D

D

H

G

Y

Q

G

G

N

N

V

A

V

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q

Q

R

R

R
|
R

H
|
H

Q

Q

K

K

V

V

I

V

E

E

A

A

P

P

A

A

P

P

G

G

I

I

S

T

V

P

K

E

Q

L

R

R

K

R

S

Y

I

I

G

G

D

E

R

R

C

C

I

A

A

K

A

A

C

C

R

V

E

D

V

I

G

G

Y

Y

R

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

F

F

L
|
L

Y

F

Q

E

D

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

V

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

Q

M

I

I

T

T

G

G

I

V

D

D

I

L

V

I

K

K

A

E

Q

Q

L

L

R

R

I

I

A

A

G

G

E

Q

R

P

L

L

P

S

W

I

A

K

Q

Q

N

E

D

E

I

V

V

H

F

V

R

R

G

G

H

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

N

N

G

T

F

F

I

L

P

P

S

S

P

P

G

G

P

K

I

I

K

T

L

R

F

F

H

H

A

A

P

P

G

G

P

F

G

G

I

V

R

R

I

W

D

E

S

S

H

H

L

I

Y

Y

S

A

G

G

Y

Y

T

T

V

V

P

P

H

Y

Y

Y

D

D

S

S

M

M

I

I

G

G

K

K

V

L

I

I

A

C

Y

Y

G

G

E

E

D

N

R

R

D

D

T

V

A

A

I

I

V

A

R

R

M

M

K

K

N

N

A

A

L

L

S

Q

E

E

M

L

V

I

I

I

E

D

G

G

I

I

K

K

T

T

N

N

I

V

P

D

L

L

H

Q

Q

I

E

R

I

I

F

M

N

N

H

D

A

E

A

N

F

F

K

Q

A

H

G

G

L

T

D

N

I
|
I

H

H

Y

Y

L

L

E

E

R

K

L

L

G

G

I

L

active site: K116 (= K116), K159 (= K159), D196 (≠ P196), H209 (= H209), R235 (= R235), T274 (= T274), E276 (= E276), E288 (= E288), N290 (= N290), R292 (= R292), E296 (= E296), R338 (= R338)
binding (2-amino-1,3-oxazol-5-yl)-(3-bromophenyl)methanone: I157 (= I157), K159 (= K159), M169 (= M169), E201 (= E201), K202 (= K202), Y203 (≠ F203), H236 (= H236), L278 (= L278), I437 (= I437)

2v5aA Crystal structure of biotin carboxylase from e.Coli in complex with potent inhibitor 3 (see paper)
71% identity, 100% coverage: 1:446/447 of query aligns to 1:446/446 of 2v5aA

query
sites
2v5aA

M

M

L

L

E

D

K

K

V

I

V

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

L

L

R

R

A

A

C

C

R

K

E

E

L

L

G

G

I

I

K

K

T

T

V

V

A

A

V

V

H

H

S

S

T

S

A

A

D

D

F

R

N

D

L

L

Q

K

H

H

V

V

L

L

A

A

D

D

E

E

S

T

V

V

C

C

I

I

G

G

P

P

P

A

A

P

S

S

K

V

D

K

S

S

Y

Y

L

L

N

N

M

I

P

P

A

A

I

I

S

S

A

A

E

E

V

I

T

T

D

G

S

A

V

V

A

A

I

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

R

Q

V

V

E

E

K

R

S

S

G

G

F

F

I

I

F

F

V

I

G

G

P

P

K

K

A

A

E

E

T

T

I

I

R

R

L

L

M

M

G

G

D

D

K
|
K

V

V

S

S

A

A

I

I

R

A

L

A

M

M

K

K

A

K

A

A

G

G

V

V

P

P

C

C

V

V

P

P

G

G

S

S

G

D

G

G

P

P

L

L

G

G

G

D

E

D

P

M

D

D

E

K

N

N

F

R

R

A

I

I

A

A

R

K

E

R

L

I

G

G

Y

Y

P

P

V

V

I
|
I

I

I

K
|
K

A

A

A

S

G

G

R

R

G

G

M
|
M

R

R

V

V

H

R

S

G

E

D

A

A

T

E

L

L

L

A

N

Q

A

S

I

I

N

S

V

M

T

T

Q

R

A

A

E

E

A

A

A

K

A

A

F

F

G

S

N

N

P
x
D

E

M

V

V

Y

Y

M

M

E
|
E

K

K

F
x
Y

L
|
L

E

E

K

N

P

P

R

R

H
|
H

I

V

E

E

I

I

Q

Q

V

V

L

L

A

A

D

D

H

G

Y

Q

G

G

N

N

V

A

V

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q
|
Q

R

R

R
|
R

H
|
H

Q

Q

K

K

V

V

I

V

E

E

A

A

P

P

A

A

P

P

G

G

I

I

S

T

V

P

K

E

Q

L

R

R

K

R

S

Y

I

I

G

G

D

E

R

R

C

C

I

A

A

K

A

A

C

C

R

V

E

D

V

I

G

G

Y

Y

R

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

F

F

L
|
L

Y

F

Q

E

D

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

V

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

Q

M

I

I

T

T

G

G

I

V

D

D

I

L

V

I

K

K

A

E

Q

Q

L

L

R

R

I

I

A

A

G

G

E

Q

R

P

L

L

P

S

W

I

A

K

Q

Q

N

E

D

E

I

V

V

H

F

V

R

R

G

G

H

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

N

N

G

T

F

F

I

L

P

P

S

S

P

P

G

G

P

K

I

I

K

T

L

R

F

F

H

H

A

A

P

P

G

G

P

F

G

G

I

V

R

R

I

W

D

E

S

S

H

H

L

I

Y

Y

S

A

G

G

Y

Y

T

T

V

V

P

P

H

Y

Y

Y

D

D

S

S

M

M

I

I

G

G

K

K

V

L

I

I

A

C

Y

Y

G

G

E

E

D

N

R

R

D

D

T

V

A

A

I

I

V

A

R

R

M

M

K

K

N

N

A

A

L

L

S

Q

E

E

M

L

V

I

I

I

E

D

G

G

I

I

K

K

T

T

N

N

I

V

P

D

L

L

H

Q

Q

I

E

R

I

I

F

M

N

N

H

D

A

E

A

N

F

F

K

Q

A

H

G

G

L

T

D

N

I
|
I

H

H

Y

Y

L

L

E

E

R

K

L

L

G

G

I

L

active site: K116 (= K116), K159 (= K159), D196 (≠ P196), H209 (= H209), R235 (= R235), T274 (= T274), E276 (= E276), E288 (= E288), N290 (= N290), R292 (= R292), E296 (= E296), R338 (= R338)
binding 7-(2,5-dihydropyrrol-1-yl)-6-phenyl-pyrido[6,5-d]pyrimidin-2-amine: I157 (= I157), K159 (= K159), M169 (= M169), E201 (= E201), Y203 (≠ F203), L204 (= L204), Q233 (= Q233), H236 (= H236), L278 (= L278), I437 (= I437)

2v58A Crystal structure of biotin carboxylase from e.Coli in complex with potent inhibitor 1 (see paper)
71% identity, 100% coverage: 1:446/447 of query aligns to 1:446/446 of 2v58A

query
sites
2v58A

M

M

L

L

E

D

K

K

V

I

V

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

L

L

R

R

A

A

C

C

R

K

E

E

L

L

G

G

I

I

K

K

T

T

V

V

A

A

V

V

H

H

S

S

T

S

A

A

D

D

F

R

N

D

L

L

Q

K

H

H

V

V

L

L

A

A

D

D

E

E

S

T

V

V

C

C

I

I

G

G

P

P

P

A

A

P

S

S

K

V

D

K

S

S

Y

Y

L

L

N

N

M

I

P

P

A

A

I

I

S

S

A

A

E

E

V

I

T

T

D

G

S

A

V

V

A

A

I

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

R

Q

V

V

E

E

K

R

S

S

G

G

F

F

I

I

F

F

V

I

G

G

P

P

K

K

A

A

E

E

T

T

I

I

R

R

L

L

M

M

G

G

D

D

K
|
K

V

V

S

S

A

A

I

I

R

A

L

A

M

M

K

K

A

K

A

A

G

G

V

V

P

P

C

C

V

V

P

P

G

G

S

S

G

D

G

G

P

P

L

L

G

G

G

D

E

D

P

M

D

D

E

K

N

N

F

R

R

A

I

I

A

A

R

K

E

R

L

I

G

G

Y

Y

P

P

V

V

I
|
I

I

I

K
|
K

A

A

A

S

G

G

R

R

G

G

M

M

R

R

V

V

H

R

S

G

E

D

A

A

T

E

L

L

L

A

N

Q

A

S

I

I

N

S

V

M

T

T

Q

R

A

A

E

E

A

A

A

K

A

A

F

F

G

S

N

N

P
x
D

E

M

V

V

Y

Y

M

M

E
|
E

K

K

F
x
Y

L
|
L

E

E

K

N

P

P

R

R

H
|
H

I

V

E

E

I

I

Q

Q

V

V

L

L

A

A

D

D

H

G

Y

Q

G

G

N

N

V

A

V

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q
|
Q

R

R

R
|
R

H
|
H

Q

Q

K

K

V

V

I

V

E

E

A

A

P

P

A

A

P

P

G

G

I

I

S

T

V

P

K

E

Q

L

R

R

K

R

S

Y

I

I

G

G

D

E

R

R

C

C

I

A

A

K

A

A

C

C

R

V

E

D

V

I

G

G

Y

Y

R

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

F

F

L
|
L

Y

F

Q

E

D

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

V

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

Q

M

I

I

T

T

G

G

I

V

D

D

I

L

V

I

K

K

A

E

Q

Q

L

L

R

R

I

I

A

A

G

G

E

Q

R

P

L

L

P

S

W

I

A

K

Q

Q

N

E

D

E

I

V

V

H

F

V

R

R

G

G

H

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

N

N

G

T

F

F

I

L

P

P

S

S

P

P

G

G

P

K

I

I

K

T

L

R

F

F

H

H

A

A

P

P

G

G

P

F

G

G

I

V

R

R

I

W

D

E

S

S

H

H

L

I

Y

Y

S

A

G

G

Y

Y

T

T

V

V

P

P

H

Y

Y

Y

D

D

S

S

M

M

I

I

G

G

K

K

V

L

I

I

A

C

Y

Y

G

G

E

E

D

N

R

R

D

D

T

V

A

A

I

I

V

A

R

R

M

M

K

K

N

N

A

A

L

L

S

Q

E

E

M

L

V

I

I

I

E

D

G

G

I

I

K

K

T

T

N

N

I

V

P

D

L

L

H

Q

Q

I

E

R

I

I

F

M

N

N

H

D

A

E

A

N

F

F

K

Q

A

H

G

G

L

T

D

N

I
|
I

H

H

Y

Y

L

L

E

E

R

K

L

L

G

G

I

L

active site: K116 (= K116), K159 (= K159), D196 (≠ P196), H209 (= H209), R235 (= R235), T274 (= T274), E276 (= E276), E288 (= E288), N290 (= N290), R292 (= R292), E296 (= E296), R338 (= R338)
binding 6-(2,6-dibromophenyl)pyrido[2,3-d]pyrimidine-2,7-diamine: I157 (= I157), K159 (= K159), E201 (= E201), Y203 (≠ F203), L204 (= L204), H209 (= H209), Q233 (= Q233), H236 (= H236), L278 (= L278), I437 (= I437)

3jziA Crystal structure of biotin carboxylase from e. Coli in complex with benzimidazole series (see paper)
71% identity, 100% coverage: 1:445/447 of query aligns to 1:445/445 of 3jziA

query
sites
3jziA

M

M

L

L

E

D

K

K

V

I

V

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

L

L

R

R

A

A

C

C

R

K

E

E

L

L

G

G

I

I

K

K

T

T

V

V

A

A

V

V

H

H

S

S

T

S

A

A

D

D

F

R

N

D

L

L

Q

K

H

H

V

V

L

L

A

A

D

D

E

E

S

T

V

V

C

C

I

I

G

G

P

P

P

A

A

P

S

S

K

V

D

K

S

S

Y

Y

L

L

N

N

M

I

P

P

A

A

I

I

S

S

A

A

E

E

V

I

T

T

D

G

S

A

V

V

A

A

I

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

R

Q

V

V

E

E

K

R

S

S

G

G

F

F

I

I

F

F

V

I

G

G

P

P

K

K

A

A

E

E

T

T

I

I

R

R

L

L

M

M

G

G

D

D

K
|
K

V

V

S

S

A

A

I

I

R

A

L

A

M

M

K

K

A

K

A

A

G

G

V

V

P

P

C

C

V

V

P

P

G

G

S

S

G

D

G

G

P

P

L

L

G

G

G

D

E

D

P

M

D

D

E

K

N

N

F

R

R

A

I

I

A

A

R

K

E

R

L

I

G

G

Y

Y

P

P

V

V

I

I

K
|
K

A
|
A

A

S

G

G

G
|
G

G

G

R

R

G

G

M
|
M

R

R

V

V

H

R

S

G

E

D

A

A

T

E

L

L

L

A

N

Q

A

S

I

I

N

S

V

M

T

T

Q

R

A

A

E

E

A

A

A

K

A

A

F

F

G

S

N

N

P
x
D

E

M

V

V

Y
|
Y

M

M

E
|
E

K
|
K

F
x
Y

L

L

E

E

K

N

P

P

R

R

H
|
H

I

V

E

E

I

I

Q

Q

V

V

L

L

A

A

D

D

H

G

Y

Q

G

G

N

N

V

A

V

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q
|
Q

R

R

R
|
R

H
|
H

Q

Q

K

K

V

V

I

V

E

E

A

A

P

P

A

A

P

P

G

G

I

I

S

T

V

P

K

E

Q

L

R

R

K

R

S

Y

I

I

G

G

D

E

R

R

C

C

I

A

A

K

A

A

C

C

R

V

E

D

V

I

G

G

Y

Y

R

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

F

F

L
|
L

Y

F

Q

E

D

N

G

G

E

E

F

F

Y

Y

F

F

I
|
I

E
|
E

M

M

N
|
N

T

T

R
|
R

V

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

Q

M

I

I

T

T

G

G

I

V

D

D

I

L

V

I

K

K

A

E

Q

Q

L

L

R

R

I

I

A

A

G

G

E

Q

R

P

L

L

P

S

W

I

A

K

Q

Q

N

E

D

E

I

V

V

H

F

V

R

R

G

G

H

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

N

N

G

T

F

F

I

L

P

P

S

S

P

P

G

G

P

K

I

I

K

T

L

R

F

F

H

H

A

A

P

P

G

G

P

F

G

G

I

V

R

R

I

W

D

E

S

S

H

H

L

I

Y

Y

S

A

G

G

Y

Y

T

T

V

V

P

P

H

Y

Y

Y

D

D

S

S

M

M

I

I

G

G

K

K

V

L

I

I

A

C

Y

Y

G

G

E

E

D

N

R

R

D

D

T

V

A

A

I

I

V

A

R

R

M

M

K

K

N

N

A

A

L

L

S

Q

E

E

M

L

V

I

I

I

E

D

G

G

I

I

K

K

T

T

N

N

I

V

P

D

L

L

H

Q

Q

I

E

R

I

I

F

M

N

N

H

D

A

E

A

N

F

F

K

Q

A

H

G

G

L

T

D

N

I

I

H

H

Y

Y

L

L

E

E

R

K

L

L

G

G

active site: K116 (= K116), K159 (= K159), D196 (≠ P196), H209 (= H209), R235 (= R235), T274 (= T274), E276 (= E276), E288 (= E288), N290 (= N290), R292 (= R292), E296 (= E296), R338 (= R338)
binding 7-amino-2-[(2-chlorobenzyl)amino]-1-{[(1S,2S)-2-hydroxycycloheptyl]methyl}-1H-benzimidazole-5-carboxamide: K116 (= K116), K159 (= K159), A160 (= A160), G164 (= G164), G165 (= G165), M169 (= M169), Y199 (= Y199), E201 (= E201), K202 (= K202), Y203 (≠ F203), H209 (= H209), Q233 (= Q233), H236 (= H236), L278 (= L278), I287 (= I287), E288 (= E288)

2w6oA Crystal structure of biotin carboxylase from e. Coli in complex with 4-amino-7,7-dimethyl-7,8-dihydro-quinazolinone fragment (see paper)
71% identity, 100% coverage: 1:445/447 of query aligns to 1:445/445 of 2w6oA

query
sites
2w6oA

M

M

L

L

E

D

K

K

V

I

V

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

L

L

R

R

A

A

C

C

R

K

E

E

L

L

G

G

I

I

K

K

T

T

V

V

A

A

V

V

H

H

S

S

T

S

A

A

D

D

F

R

N

D

L

L

Q

K

H

H

V

V

L

L

A

A

D

D

E

E

S

T

V

V

C

C

I

I

G

G

P

P

P

A

A

P

S

S

K

V

D

K

S

S

Y

Y

L

L

N

N

M

I

P

P

A

A

I

I

S

S

A

A

E

E

V

I

T

T

D

G

S

A

V

V

A

A

I

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

R

Q

V

V

E

E

K

R

S

S

G

G

F

F

I

I

F

F

V

I

G

G

P

P

K

K

A

A

E

E

T

T

I

I

R

R

L

L

M

M

G

G

D

D

K
|
K

V

V

S

S

A

A

I

I

R

A

L

A

M

M

K

K

A

K

A

A

G

G

V

V

P

P

C

C

V

V

P

P

G

G

S

S

G

D

G

G

P

P

L

L

G

G

G

D

E

D

P

M

D

D

E

K

N

N

F

R

R

A

I

I

A

A

R

K

E

R

L

I

G

G

Y

Y

P

P

V

V

I

I

K
|
K

A

A

A

S

G

G

R

R

G

G

M

M

R

R

V

V

H

R

S

G

E

D

A

A

T

E

L

L

L

A

N

Q

A

S

I

I

N

S

V

M

T

T

Q

R

A

A

E

E

A

A

A

K

A

A

F

F

G

S

N

N

P
x
D

E

M

V

V

Y

Y

M

M

E

E

K
|
K

F
x
Y

L
|
L

E

E

K

N

P

P

R

R

H
|
H

I

V

E

E

I

I

Q

Q

V

V

L

L

A

A

D

D

H

G

Y

Q

G

G

N

N

V

A

V

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q

Q

R

R

R
|
R

H

H

Q

Q

K

K

V

V

I

V

E

E

A

A

P

P

A

A

P

P

G

G

I

I

S

T

V

P

K

E

Q

L

R

R

K

R

S

Y

I

I

G

G

D

E

R

R

C

C

I

A

A

K

A

A

C

C

R

V

E

D

V

I

G

G

Y

Y

R

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

F

F

L
|
L

Y

F

Q

E

D

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

V

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

Q

M

I

I

T

T

G

G

I

V

D

D

I

L

V

I

K

K

A

E

Q

Q

L

L

R

R

I

I

A

A

G

G

E

Q

R

P

L

L

P

S

W

I

A

K

Q

Q

N

E

D

E

I

V

V

H

F

V

R

R

G

G

H

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

N

N

G

T

F

F

I

L

P

P

S

S

P

P

G

G

P

K

I

I

K

T

L

R

F

F

H

H

A

A

P

P

G

G

P

F

G

G

I

V

R

R

I

W

D

E

S

S

H

H

L

I

Y

Y

S

A

G

G

Y

Y

T

T

V

V

P

P

H

Y

Y

Y

D

D

S

S

M

M

I

I

G

G

K

K

V

L

I

I

A

C

Y

Y

G

G

E

E

D

N

R

R

D

D

T

V

A

A

I

I

V

A

R

R

M

M

K

K

N

N

A

A

L

L

S

Q

E

E

M

L

V

I

I

I

E

D

G

G

I

I

K

K

T

T

N

N

I

V

P

D

L

L

H

Q

Q

I

E

R

I

I

F

M

N

N

H

D

A

E

A

N

F

F

K

Q

A

H

G

G

L

T

D

N

I
|
I

H

H

Y

Y

L

L

E

E

R

K

L

L

G

G

active site: K116 (= K116), K159 (= K159), D196 (≠ P196), H209 (= H209), R235 (= R235), T274 (= T274), E276 (= E276), E288 (= E288), N290 (= N290), R292 (= R292), E296 (= E296), R338 (= R338)
binding 4-amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one: K159 (= K159), K202 (= K202), Y203 (≠ F203), L204 (= L204), L278 (= L278), I437 (= I437)

2w6nA Crystal structure of biotin carboxylase from e. Coli in complex with amino-oxazole fragment series (see paper)
71% identity, 100% coverage: 1:445/447 of query aligns to 1:445/445 of 2w6nA

query
sites
2w6nA

M

M

L

L

E

D

K

K

V

I

V

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

L

L

R

R

A

A

C

C

R

K

E

E

L

L

G

G

I

I

K

K

T

T

V

V

A

A

V

V

H

H

S

S

T

S

A

A

D

D

F

R

N

D

L

L

Q

K

H

H

V

V

L

L

A

A

D

D

E

E

S

T

V

V

C

C

I

I

G

G

P

P

P

A

A

P

S

S

K

V

D

K

S

S

Y

Y

L

L

N

N

M

I

P

P

A

A

I

I

S

S

A

A

E

E

V

I

T

T

D

G

S

A

V

V

A

A

I

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

R

Q

V

V

E

E

K

R

S

S

G

G

F

F

I

I

F

F

V

I

G

G

P

P

K

K

A

A

E

E

T

T

I

I

R

R

L

L

M

M

G

G

D

D

K
|
K

V

V

S

S

A

A

I

I

R

A

L

A

M

M

K

K

A

K

A

A

G

G

V

V

P

P

C

C

V

V

P

P

G

G

S

S

G

D

G

G

P

P

L

L

G

G

G

D

E

D

P

M

D

D

E

K

N

N

F

R

R

A

I

I

A

A

R

K

E

R

L

I

G

G

Y

Y

P

P

V

V

I
|
I

I

I

K
|
K

A

A

A

S

G

G

R

R

G

G

M
|
M

R

R

V

V

H

R

S

G

E

D

A

A

T

E

L

L

L

A

N

Q

A

S

I

I

N

S

V

M

T

T

Q

R

A

A

E

E

A

A

A

K

A

A

F

F

G

S

N

N

P
x
D

E

M

V

V

Y

Y

M

M

E
|
E

K
|
K

F
x
Y

L

L

E

E

K

N

P

P

R

R

H
|
H

I

V

E

E

I

I

Q

Q

V

V

L

L

A

A

D

D

H

G

Y

Q

G

G

N

N

V

A

V

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q

Q

R

R

R
|
R

H

H

Q

Q

K

K

V

V

I

V

E

E

A

A

P

P

A

A

P

P

G

G

I

I

S

T

V

P

K

E

Q

L

R

R

K

R

S

Y

I

I

G

G

D

E

R

R

C

C

I

A

A

K

A

A

C

C

R

V

E

D

V

I

G

G

Y

Y

R

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

F

F

L
|
L

Y

F

Q

E

D

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

V

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

Q

M

I

I

T

T

G

G

I

V

D

D

I

L

V

I

K

K

A

E

Q

Q

L

L

R

R

I

I

A

A

G

G

E

Q

R

P

L

L

P

S

W

I

A

K

Q

Q

N

E

D

E

I

V

V

H

F

V

R

R

G

G

H

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

N

N

G

T

F

F

I

L

P

P

S

S

P

P

G

G

P

K

I

I

K

T

L

R

F

F

H

H

A

A

P

P

G

G

P

F

G

G

I

V

R

R

I

W

D

E

S

S

H

H

L

I

Y

Y

S

A

G

G

Y

Y

T

T

V

V

P

P

H

Y

Y

Y

D

D

S

S

M

M

I

I

G

G

K

K

V

L

I

I

A

C

Y

Y

G

G

E

E

D

N

R

R

D

D

T

V

A

A

I

I

V

A

R

R

M

M

K

K

N

N

A

A

L

L

S

Q

E

E

M

L

V

I

I

I

E

D

G

G

I

I

K

K

T

T

N

N

I

V

P

D

L

L

H

Q

Q

I

E

R

I

I

F

M

N

N

H

D

A

E

A

N

F

F

K

Q

A

H

G

G

L

T

D

N

I

I

H

H

Y

Y

L

L

E

E

R

K

L

L

G

G

active site: K116 (= K116), K159 (= K159), D196 (≠ P196), H209 (= H209), R235 (= R235), T274 (= T274), E276 (= E276), E288 (= E288), N290 (= N290), R292 (= R292), E296 (= E296), R338 (= R338)
binding 2-amino-n,n-bis(phenylmethyl)-1,3-oxazole-5-carboxamide: I157 (= I157), K159 (= K159), M169 (= M169), E201 (= E201), K202 (= K202), Y203 (≠ F203), L278 (= L278)

2v59A Crystal structure of biotin carboxylase from e.Coli in complex with potent inhibitor 2 (see paper)
71% identity, 100% coverage: 1:445/447 of query aligns to 1:445/445 of 2v59A

query
sites
2v59A

M

M

L

L

E

D

K

K

V

I

V

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

L

L

R

R

A

A

C

C

R

K

E

E

L

L

G

G

I

I

K

K

T

T

V

V

A

A

V

V

H

H

S

S

T

S

A

A

D

D

F

R

N

D

L

L

Q

K

H

H

V

V

L

L

A

A

D

D

E

E

S

T

V

V

C

C

I

I

G

G

P

P

P

A

A

P

S

S

K

V

D

K

S

S

Y

Y

L

L

N

N

M

I

P

P

A

A

I

I

S

S

A

A

E

E

V

I

T

T

D

G

S

A

V

V

A

A

I

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

R

Q

V

V

E

E

K

R

S

S

G

G

F

F

I

I

F

F

V

I

G

G

P

P

K

K

A

A

E

E

T

T

I

I

R

R

L

L

M

M

G

G

D

D

K
|
K

V

V

S

S

A

A

I

I

R

A

L

A

M

M

K

K

A

K

A

A

G

G

V

V

P

P

C

C

V

V

P

P

G

G

S

S

G

D

G

G

P

P

L

L

G

G

G

D

E

D

P

M

D

D

E

K

N

N

F

R

R

A

I

I

A

A

R

K

E

R

L

I

G

G

Y

Y

P

P

V

V

I

I

K
|
K

A

A

A

S

G

G

R

R

G

G

M

M

R

R

V

V

H

R

S

G

E

D

A

A

T

E

L

L

L

A

N

Q

A

S

I

I

N

S

V

M

T

T

Q

R

A

A

E

E

A

A

A

K

A

A

F

F

G

S

N

N

P
x
D

E

M

V

V

Y

Y

M

M

E

E

K

K

F
x
Y

L
|
L

E

E

K

N

P

P

R

R

H
|
H

I

V

E

E

I

I

Q

Q

V

V

L

L

A

A

D

D

H

G

Y

Q

G

G

N

N

V

A

V

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q
|
Q

R

R

R
|
R

H
|
H

Q

Q

K

K

V

V

I

V

E

E

A

A

P

P

A

A

P

P

G

G

I

I

S

T

V

P

K

E

Q

L

R

R

K

R

S

Y

I

I

G

G

D

E

R

R

C

C

I

A

A

K

A

A

C

C

R

V

E

D

V

I

G

G

Y

Y

R

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

F

F

L
|
L

Y

F

Q

E

D

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

V

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

Q

M

I

I

T

T

G

G

I

V

D

D

I

L

V

I

K

K

A

E

Q

Q

L

L

R

R

I

I

A

A

G

G

E

Q

R

P

L

L

P

S

W

I

A

K

Q

Q

N

E

D

E

I

V

V

H

F

V

R

R

G

G

H

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

N

N

G

T

F

F

I

L

P

P

S

S

P

P

G

G

P

K

I

I

K

T

L

R

F

F

H

H

A

A

P

P

G

G

P

F

G

G

I

V

R

R

I

W

D

E

S

S

H

H

L

I

Y

Y

S

A

G

G

Y

Y

T

T

V

V

P

P

H

Y

Y

Y

D

D

S

S

M

M

I

I

G

G

K

K

V

L

I

I

A

C

Y

Y

G

G

E

E

D

N

R

R

D

D

T

V

A

A

I

I

V

A

R

R

M

M

K

K

N

N

A

A

L

L

S

Q

E

E

M

L

V

I

I

I

E

D

G

G

I

I

K

K

T

T

N

N

I

V

P

D

L

L

H

Q

Q

I

E

R

I

I

F

M

N

N

H

D

A

E

A

N

F

F

K

Q

A

H

G

G

L

T

D

N

I
|
I

H

H

Y

Y

L

L

E

E

R

K

L

L

G

G

active site: K116 (= K116), K159 (= K159), D196 (≠ P196), H209 (= H209), R235 (= R235), T274 (= T274), E276 (= E276), E288 (= E288), N290 (= N290), R292 (= R292), E296 (= E296), R338 (= R338)
binding 6-(2,6-dimethoxyphenyl)pyrido[2,3-d]pyrimidine-2,7-diamine: K159 (= K159), Y203 (≠ F203), L204 (= L204), H209 (= H209), Q233 (= Q233), H236 (= H236), L278 (= L278), I437 (= I437)

1dv2A The structure of biotin carboxylase, mutant e288k, complexed with atp (see paper)
71% identity, 100% coverage: 1:447/447 of query aligns to 4:450/450 of 1dv2A

query
sites
1dv2A

M

M

L

L

E

D

K

K

V

I

V

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

L

L

R

R

A

A

C

C

R

K

E

E

L

L

G

G

I

I

K

K

T

T

V

V

A

A

V

V

H

H

S

S

T

S

A

A

D

D

F

R

N

D

L

L

Q

K

H

H

V

V

L

L

A

A

D

D

E

E

S

T

V

V

C

C

I

I

G

G

P

P

P

A

A

P

S

S

K

V

D

K

S

S

Y

Y

L

L

N

N

M

I

P

P

A

A

I

I

S

S

A

A

E

E

V

I

T

T

D

G

S

A

V

V

A

A

I

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

N

F

F

A

A

E

E

R

Q

V

V

E

E

K

R

S

S

G

G

F

F

I

I

F

F

V

I

G

G

P

P

K

K

A

A

E

E

T

T

I

I

R

R

L

L

M

M

G

G

D

D

K
|
K

V

V

S

S

A

A

I

I

R

A

L

A

M

M

K

K

A

K

A

A

G

G

V

V

P

P

C

C

V

V

P

P

G

G

S

S

G

D

G

G

P

P

L

L

G

G

G

D

E

D

P

M

D

D

E

K

N

N

F

R

R

A

I

I

A

A

R

K

E

R

L

I

G

G

Y

Y

P

P

V

V

I

I

K
|
K

A

A

A

S

G

G

G
|
G

G

G

G
|
G

G

G

R

R

G

G

M
|
M

R

R

V

V

H

R

S

G

E

D

A

A

T

E

L

L

L

A

N

Q

A

S

I

I

N

S

V

M

T

T

Q

R

A

A

E

E

A

A

A

K

A

A

F

F

G

S

N

N

P
x
D

E

M

V

V

Y

Y

M

M

E
|
E

K
|
K

F
x
Y

L
|
L

E

E

K

N

P

P

R

R

H
|
H

I

V

E

E

I

I

Q

Q

V

V

L

L

A

A

D

D

H

G

Y

Q

G

G

N

N

V

A

V

I

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q

Q

R

R

R
|
R

H
|
H

Q

Q

K

K

V

V

I

V

E

E

A

A

P

P

A

A

P

P

G

G

I

I

S

T

V

P

K

E

Q

L

R

R

K

R

S

Y

I

I

G

G

D

E

R

R

C

C

I

A

A

K

A

A

C

C

R

V

E

D

V

I

G

G

Y

Y

R

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

F

F

L
|
L

Y

F

Q

E

D

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
x
K

M

M

N
|
N

T

T

R
|
R

V

I

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

T

E

E

Q

M

I

I

T

T

G

G

I

V

D

D

I

L

V

I

K

K

A

E

Q

Q

L

L

R

R

I

I

A

A

G

G

E

Q

R

P

L

L

P

S

W

I

A

K

Q

Q

N

E

D

E

I

V

V

H

F

V

R

R

G

G

H

H

A

A

I

V

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

N

N

G

T

F

F

I

L

P

P

S

S

P

P

G

G

P

K

I

I

K

T

L

R

F

F

H

H

A

A

P

P

G

G

P

F

G

G

I

V

R

R

I

W

D

E

S

S

H

H

L

I

Y

Y

S

A

G

G

Y

Y

T

T

V

V

P

P

H

Y

Y

Y

D

D

S

S

M

M

I

I

G

G

K

K

V

L

I

I

A

C

Y

Y

G

G

E

E

D

N

R

R

D

D

T

V

A

A

I

I

V

A

R

R

M

M

K

K

N

N

A

A

L

L

S

Q

E

E

M

L

V

I

I

I

E

D

G

G

I

I

K

K

T

T

N

N

I

V

P

D

L

L

H

Q

Q

I

E

R

I

I

F

M

N

N

H

D

A

E

A

N

F

F

K

Q

A

H

G

G

L

T

D

N

I

I

H

H

Y

Y

L

L

E

E

R

K

L

L

G

G

I

L

K

Q

active site: K119 (= K116), K162 (= K159), D199 (≠ P196), H212 (= H209), R238 (= R235), T277 (= T274), E279 (= E276), K291 (≠ E288), N293 (= N290), R295 (= R292), E299 (= E296), R341 (= R338)
binding adenosine-5'-triphosphate: K119 (= K116), K162 (= K159), G166 (= G163), G168 (= G165), M172 (= M169), E204 (= E201), K205 (= K202), Y206 (≠ F203), L207 (= L204), H239 (= H236), L281 (= L278), K291 (≠ E288)

4mv3A Crystal structure of biotin carboxylase from haemophilus influenzae in complex with amppcp and bicarbonate (see paper)
69% identity, 100% coverage: 1:445/447 of query aligns to 1:439/439 of 4mv3A

query
sites
4mv3A

M

M

L

L

E

E

K

K

V

V

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

L

L

R

R

A

A

C

C

R

K

E

E

L

L

G

G

I

I

K

K

T

T

V

V

A

A

V

V

H

H

S

S

T

T

A

A

D

D

F

R

N

D

L

L

Q

K

H

H

V

V

L

L

A

A

D

D

E

E

S

T

V

I

C

C

I

I

G

G

P

P

P

A

A

P

S

S

K

A

D

K

S

S

Y

Y

L

L

N

N

M

I

P

P

A

A

I

I

S

A

A

A

E

E

V

V

T

T

D

G

S

A

V

D

A

A

I

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

S

E

E

N

N

A

A

D

D

F

F

A

A

E

E

R

Q

V

V

E

E

K

R

S

S

G

G

F

F

I

T

F

F

V

I

G

G

P

P

K

T

A

A

E

D

T

V

I

I

R

R

L

L

M

M

G

G

D

D

K
|
K

V

V

S

S

A

A

I

I

R

K

L

A

M

M

K

K

A

K

A

A

G

G

V

V

P

P

C

C

V

V

P

P

G

G

S

S

G

D

G

G

P

P

L

V

G

S

G

N

E

D

P

I

D

A

E

K

N

N

F

K

R

E

I

I

A

A

R

K

E

R

L

I

G

G

Y

Y

P

P

V

I

I

I

K
|
K

A

A

A

S

G

G

G

-

R

-

G

-

M
|
M

R

R

V

V

H

R

S

S

E

E

A

D

T

A

L

L

L

E

N

E

A

S

I

I

N

A

V

M

T

T

Q

K

A

A

E

E

A

A

A

K

A

A

F

F

G

N

N

N

P
x
D

E

M

V

V

Y

Y

M

M

E
|
E

K

K

F
x
Y

L
|
L

E

E

K

N

P

P

R

R

H
|
H

I

V

E

E

I

I

Q

Q

V

V

L

L

A

A

D

D

H

T

Y

H

G

G

N

N

V

A

V

V

H

Y

L

L

G

A

E

E

R

R

D

D

C

C

S

S

L

M

Q

Q

R

R

R
|
R

H

H

Q

Q

K

K

V

V

I

V

E

E

A

A

P

P

A

A

P

P

G

G

I

I

S

T

V

E

K

E

Q

V

R

R

K

R

S

D

I

I

G

G

D

S

R

R

C

C

I

A

A

N

A

A

C

C

R

V

E

E

V

I

G

G

Y

Y

R

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

F

F

L
|
L

Y

Y

Q

E

D

N

G

G

E

E

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

V

I

Q
|
Q

V
|
V

E
|
E

H

H

P

P

V

V

T

T

E

E

Q

M

I

I

T

T

G

G

I

V

D

D

I

L

V

V

K

K

A

E

Q

Q

L

L

R

R

I

I

A

A

G

G

E

L

R

P

L

I

P

S

W

F

A

K

Q

Q

N

E

D

D

I

I

V

K

F

V

R

K

G

G

H

H

A

A

I

M

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

N

K

G

T

F

F

I

L

P

P

S

S

P

P

G

G

P

K

I

V

K

N

L

H

F

L

H

H

A

S

P

P

G

G

P

L

G

G

I

V

R

R

I

W

D

D

S

S

H

H

L

V

Y

Y

S

G

G

G

Y

Y

T

T

V

V

P

P

H

H

Y

Y

D

D

S

S

M

M

I

I

G

A

K

K

V

L

I

I

A

T

Y

Y

G

G

E

D

D

T

R

R

D

E

T

V

A

A

I

I

V

R

R

R

M

M

K

Q

N

N

A

A

L

L

S

S

E

E

M

T

V

I

I

I

E

D

G

G

I

I

K

K

T

T

N

N

I

I

P

P

L

L

H

H

Q

E

E

L

I

I

F

L

N

E

H

D

A

E

A

N

F

F

K

Q

A

K

G

G

L

T

D

N

I

I

H

H

Y

Y

L

L

E

E

R

K

L

L

G

G

active site: K116 (= K116), K159 (= K159), D190 (≠ P196), H203 (= H209), R229 (= R235), T268 (= T274), E270 (= E276), E282 (= E288), N284 (= N290), R286 (= R292), E290 (= E296), R332 (= R338)
binding phosphomethylphosphonic acid adenylate ester: K159 (= K159), M163 (= M169), E195 (= E201), Y197 (≠ F203), L198 (= L204), E270 (= E276), L272 (= L278), E282 (= E288)
binding bicarbonate ion: R286 (= R292), Q288 (= Q294), V289 (= V295)

2vqdA Crystal structure of biotin carboxylase from pseudomonas aeruginosa complexed with ampcp (see paper)
70% identity, 100% coverage: 1:446/447 of query aligns to 1:446/447 of 2vqdA

query
sites
2vqdA

M

M

L

L

E

E

K

K

V

V

V

L

I

I

A

A

N

N

R

R

G

G

E

E

I

I

A

A

L

L

R

R

I

I

L

L

R

R

A

A

C

C

R

K

E

E

L

L

G

G

I

I

K

K

T

T

V

V

A

A

V

V

H

H

S

S

T

T

A

A

D

D

F

R

N

E

L

L

Q

M

H

H

V

L

L

S

L

L

A

A

D

D

E

E

S

S

V

V

C

C

I

I

G

G

P

P

P

A

A

P

S

A

K

T

D

Q

S

S

Y

Y

L

L

N

Q

M

I

P

P

A

A

I

I

S

A

A

A

E

E

V

V

T

T

D

G

S

A

V

T

A

A

I

I

H

H

P

P

G

G

Y

Y

G

G

F

F

L

L

S

A

E

E

N

N

A

A

D

D

F

F

A

A

E

E

R

Q

V

I

E

E

K

R

S

S

G

G

F

F

I

T

F

F

V

V

G

G

P

P

K

T

A

A

E

E

T

V

I

I

R

R

L

L

M

M

G

G

D

D

K
|
K

V

V

S

S

A

A

I

K

R

D

L

A

M

M

K

K

A

R

A

A

G

G

V

V

P

P

C

T

V

V

P

P

G

G

S

S

G

D

G

G

P

P

L

L

G

P

G

E

E

D

P

E

D

E

E

T

N

A

F

L

R

A

I

I

A

A

R

R

E

E

L

V

G

G

Y

Y

P

P

V

V

I
|
I

I

I

K
|
K

A

A

G

G

G
|
G

G

G

G
|
G

R

R

G

G

M

M

R

R

V

V

H

Y

S

D

E

E

A

S

T

E

L

L

L

I

N

K

A

S

I

A

N

K

V

L

T

T

Q

R

A

T

E

E

A

A

A

G

A

A

F

F

G

G

N

N

P
|
P

E

M

V

V

Y

Y

M

L

E

E

K

K

F
|
F

L
|
L

E

T

K

N

P

P

R

R

H
|
H

I

V

E

E

I

V

Q

Q

V

V

L

L

A

S

D

D

H

G

Y

Q

G

G

N

N

V

A

V

I

H

H

L

L

G

G

E

D

R

R

D

D

C

C

S

S

L

L

Q
|
Q

R

R

R
|
R

H
|
H

Q

Q

K

K

V

V

I

I

E

E

A

A

P

P

A

A

P

P

G

G

I

I

S

D

V

E

K

K

Q

A

R

R

K

Q

S

E

I

V

G

F

D

A

R

R

C

C

I

V

A

Q

A

A

C

C

R

I

E

E

V

I

G

G

Y

Y

R

R

G

G

A

A

G

G

T
|
T

L

F

E
|
E

F

F

L
|
L

Y

Y

Q

E

D

N

G

G

E

R

F

F

Y

Y

F

F

I

I

E
|
E

M

M

N
|
N

T

T

R
|
R

V

V

Q

Q

V

V

E
|
E

H

H

P

P

V

V

T

S

E

E

Q

M

I

V

T

T

G

G

I

V

D

D

I

I

V

V

K

K

A

E

Q

M

L

L

R

R

I

I

A

A

A

S

G

G

E

E

R

K

L

L

P

S

W

I

A

R

Q

Q

N

E

D

D

I

V

V

V

F

I

R

R

G

G

H

H

A

A

I

L

E

E

C

C

R
|
R

I

I

N

N

A

A

E

E

D

D

P

P

N

K

G

T

F

F

I

M

P

P

S

S

P

P

G

G

P

K

I

V

K

K

L

H

F

F

H

H

A

A

P

P

G

G

P

N

G

G

I

V

R

R

I

V

D

D

S

S

H

H

L

L

Y

Y

S

S

G

G

Y

Y

T

S

V

V

P

P

H

N

Y

Y

D

D

S

S

M

L

I

V

G

G

K

K

V

V

I

I

A

T

Y

Y

G

G

E

A

D

D

R

R

D

D

T

E

A

A

I

L

V

A

R

R

M

M

K

R

N

N

A

A

L

L

S

D

E

E

M

L

V

I

I

V

E

D

G

G

I

I

K

K

T

T

N

N

I

T

P

E

L

L

H

H

Q

K

E

D

I

L

F

V

N

R

H

D

A

A

F

F

K

C

A

K

G

G

L

V

D

N

I
|
I

H

H

Y

Y

L

L

E

E

R

K

L

L

G

G

I

M

active site: K116 (= K116), K159 (= K159), P196 (= P196), H209 (= H209), R235 (= R235), T274 (= T274), E276 (= E276), E288 (= E288), N290 (= N290), R292 (= R292), E296 (= E296), R338 (= R338)
binding phosphomethylphosphonic acid adenosyl ester: K116 (= K116), I157 (= I157), K159 (= K159), G164 (= G164), G166 (= G166), F203 (= F203), L204 (= L204), H209 (= H209), Q233 (= Q233), H236 (= H236), L278 (= L278), E288 (= E288), I437 (= I437)
binding magnesium ion: E276 (= E276), E288 (= E288)

Query Sequence

>WP_066921524.1 NCBI__GCF_001579945.1:WP_066921524.1
MLEKVVIANRGEIALRILRACRELGIKTVAVHSTADFNLQHVLLADESVCIGPPASKDSY
LNMPAIISAAEVTDSVAIHPGYGFLSENADFAERVEKSGFIFVGPKAETIRLMGDKVSAI
RLMKAAGVPCVPGSGGPLGGEPDENFRIARELGYPVIIKAAGGGGGRGMRVVHSEATLLN
AINVTQAEAAAAFGNPEVYMEKFLEKPRHIEIQVLADHYGNVVHLGERDCSLQRRHQKVI
EEAPAPGISVKQRKSIGDRCIAACREVGYRGAGTLEFLYQDGEFYFIEMNTRVQVEHPVT
EQITGIDIVKAQLRIAAGERLPWAQNDIVFRGHAIECRINAEDPNGFIPSPGPIKLFHAP
GGPGIRIDSHLYSGYTVPPHYDSMIGKVIAYGEDRDTAIVRMKNALSEMVIEGIKTNIPL
HQEIFNHAAFKAGGLDIHYLERRLGIK

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