SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_089214379.1 NCBI__GCF_900188185.1:WP_089214379.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

8gqnA X-ray structure of thiolase with coa
62% identity, 98% coverage: 7:395/395 of query aligns to 3:390/390 of 8gqnA

query
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8gqnA

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binding coenzyme a: L147 (= L151), Q217 (= Q222), I226 (= I231), L229 (= L234), A241 (= A246), A242 (= A247), S245 (= S250), I247 (= I252)

P45359 Acetyl-CoA acetyltransferase; Acetoacetyl-CoA thiolase; CaTHL; EC 2.3.1.9 from Clostridium acetobutylicum (strain ATCC 824 / DSM 792 / JCM 1419 / IAM 19013 / LMG 5710 / NBRC 13948 / NRRL B-527 / VKM B-1787 / 2291 / W) (see paper)
47% identity, 98% coverage: 7:393/395 of query aligns to 4:390/392 of P45359

query
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P45359

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V77 (≠ K80) mutation to Q: 3-fold increase in thiolase activity, prevents disulfide bond formation under oxidized condition and results in the loss of regulatory mechanism based on redox-switch modulation; when associated with Y-153 and K-286.
C88 (= C91) modified: Disulfide link with 378, In inhibited form
S96 (≠ I99) binding acetate
N153 (≠ D156) mutation to Y: 3-fold increase in thiolase activity, prevents disulfide bond formation under oxidized condition and results in the loss of regulatory mechanism based on redox-switch modulation; when associated with Q-77 and K-286.
GS 279:280 (≠ AA 282:283) binding acetate
A286 (≠ K289) mutation to K: 3-fold increase in thiolase activity, prevents disulfide bond formation under oxidized condition and results in the loss of regulatory mechanism based on redox-switch modulation; when associated with Q-77 and Y-153.
C378 (= C381) modified: Disulfide link with 88, In inhibited form
A386 (= A389) binding acetate

4xl4A Crystal structure of thiolase from clostridium acetobutylicum in complex with coa (see paper)
47% identity, 98% coverage: 7:393/395 of query aligns to 4:390/392 of 4xl4A

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4xl4A

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active site: C88 (= C91), H348 (= H351), S378 (≠ C381), G380 (= G383)
binding coenzyme a: L148 (= L151), H156 (≠ A160), R220 (≠ G224), L231 (= L234), A243 (= A246), S247 (= S250), F319 (= F322), H348 (= H351)

7cw5B Acetyl-coa acetyltransferase from bacillus cereus atcc 14579 (see paper)
48% identity, 98% coverage: 8:394/395 of query aligns to 4:391/394 of 7cw5B

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7cw5B

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E

I

V

Y

I

M

F

G

G

C

T

V

V

L

I

P

Q

A

G

G

G

L

Q

G

G

Q

Q

A

I

P

P

A

S

R

R

Q

Q

A

A

A

A

I

R

K

A

A

A

G

G

L

I

P

P

K

W

S

E

V

V

Q

Q

A

T

T

E

T

T

V

V

N

N

K

K

V

V

C
|
C

G

A

S

S

G

G

M

L

Q

R

T

A

V

V

I

T

M

L

G

A

A

D

E

Q

A

I

L

I

A

R

A

T

G

G

S

D

I

Q

D

S

L

L

A

I

V

V

A

A

G

G

G

G

M

M

E

E

S

S

M

M

T

S

N

N

A

S

P

P

Y

Y

L

I

L

L

K

R

K

G

H

A

R

R

S

W

G

G

A

Y

R

R

I

M

G

G

H

N

D

N

T

E

A

V

Y

I

D

D

H

L

M

N

F

V

L

A

D

D

G

G

L
|
L

E

T

D

C

A

A

Y

F

D

-

A

S

G

G

R

T

A
x
H

M
|
M

G

G

T

V

F

Y

A

G

Q

G

D

E

T

V

A

A

D

K

A

E

Y

D

Q

G

L

I

S

S

R

R

Q

E

A

A

Q

Q

D

D

D

E

Y

W

A

A

I

Y

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R

S

S

L

H

R

Q

R

R

A

A

Q

V

A

S

A

A

I

H

A

K

D

E

G

G

A

R

F

F

A

E

A

E

E

E

I

I

T

V

P

P

V

V

T

T

L

I

T

P

T

Q

R

R

K

K

G

G

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-

P

V

I

V

V

V

V

D

A

T

K

D

D

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E

Q

A

P

P

G
x
R

K

E

G

D

N
x
T

P

T

-

I

D

E

K

K

I

L

P

A

T

K

L

L

R

K

P

P

A

V

F

F

A

D

K

K

D

T

G

A

T

T

I

V

T

T

A
|
A

A

G

T

N

S

A

S
x
P

S

G

I
x
L

S

N

D

D

G

G

A

G

A

A

A

A

V

L

V

V

L

L

T

M

R

S

Q

E

S

D

V

R

A

A

E

K

K

Q

K

E

G

G

A

R

K

K

P

P

V

L

A

A

K

T

L

I

V

L

A

A

H

H

A

T

A

A

H

I

A

A

Q

V

E

E

P

S

K

K

D

D

F

F

T

P

V

R

A

T

P

P

I

G

G

Y

A

A

I

I

N

N

K

A

V

L

L

L

A

E

K

K

A

T

G

G

W

K

S

T

I

I

G

E

D

D

V

I

D

D

L

L

F

F

E

E

V

I

N

N

E

E

A

A

F

F

A

A

C

A

V

V

A

A

M

I

F

A

A

S

M

T

H

E

D

I

L

A

G

G

I

I

P

D

H

P

D

E

R

K

I

L

N

N

V

V

N

N

G

G

G

G

A

A

T

V

A

A

L

M

G

G

H
|
H

P

P

I

I

G

G

A

A

S

S

G

G

T

A

R

R

I

I

I

I

A

V

T

T

L

L

I

I

A

H

A

A

L

L

Q

K

N

Q

R

R

G

G

K

G

K

G

R

I

G

G

I

I

A

A

S

S

L

I

C
|
C

I

S

G
|
G

G

G

G

G

E

Q

A

G

T

D

A

A

V

V

A

M

I

I

E

E

L

V

active site: C87 (= C91), H348 (= H351), C378 (= C381), G380 (= G383)
binding coenzyme a: L147 (= L151), H155 (≠ A160), M156 (= M161), R220 (≠ G224), T223 (≠ N227), A243 (= A246), P247 (≠ S250), L249 (≠ I252), H348 (= H351)

6aqpA Aspergillus fumigatus cytosolic thiolase: acetylated enzyme in complex with coa and potassium ions
46% identity, 100% coverage: 1:395/395 of query aligns to 2:397/397 of 6aqpA

query
sites
6aqpA

M

M

T

S

A

S

T

L

D

P

P

A

V

V

V

Y

F

I

L

V

S

S

Y

S

A

A

R

R

T

T

P

P

M

V

G

G

G

S

M

F

Q

L

G

G

V

S

L

L

S

S

D

S

A

L

S

T

A

A

T

P

D

Q

L

L

G

G

A

A

T

H

A

A

V

I

K

K

A

A

A

A

V

L

E

A

R

K

A

V

-

D

G

G

V

L

K

K

G

P

E

S

D

D

V

V

E

Q

R

E

I

V

Y

F

M

F

G

G

C

N

V

V

L

I

P

S

A

A

G

N

L

V

G

G

Q

Q

A

N

P

P

A

A

R

R

Q

Q

A

C

A

A

I

L

K

G

A

A

G

G

L

L

P

E

K

E

S

S

V

T

Q

I

A

C

T

T

T

T

V

V

N

N

K

K

V

V

C
|
C

G

A

S

S

G

G

M

L

Q

K

T

A

V

I

I

I

M

L

G

G

A

A

E

Q

A

T

L

I

A

M

A

T

G

G

S

N

I

A

D

D

L

V

A

V

V

V

A

A

G

G

G

G

M

T

E

E

S

S

M

M

T

S

N

N

A

A

P

P

Y

H

L

Y

L

L

K

P

K

N

H

L

R

R

S

T

G

G

A

A

R

K

I

Y

G

G

H

H

D

Q

T

S

A

L

Y

V

D

D

H

G

M

I

F

M

L

K

D

D

G

G

L
|
L

E

T

D

D

A

A

Y

G

D

K

A

Q

G

-

R

E

A

L

M

M

G

G

T

L

F

Q

A

A

Q

E

D

E

T

C

A

A

D

Q

A

D

Y

H

Q

G

L

F

S

S

R

R

Q

E

A

Q

Q

Q

D

D

D

E

Y

Y

A

A

I

I

E

R

S

T

L
x
Y

R

E

R

K

A

A

Q

Q

A

A

A

A

I

Q

A

K

D

A

G

G

A

L

F

F

A

D

A

E

E

E

I

I

T

A

P

P

V

I

T

Q

L

L

T

P

T

G

R

G

K

K

G

P

E

D

V

V

V

T

V

V

D

T

T

Q

D

D

E

E

Q

E

P

P

G

K

K
x
N

G

L

N
|
N

P

P

D

E

K
|
K

I

L

P

R

T

A

L

I

R

K

P

P

A

A

F

F

A

I

K

P

-

G

D

S

G

G

T

T

I

V

T

T

A
|
A

A
x
P

T

N

S

S

S
|
S

S

P

I

L

S

N

D

D

G

G

A

A

A

A

A

A

V

V

V

V

L

L

T

V

R

S

Q

E

S

A

V

K

A

L

E

K

K

E

K

L

G

N

A

L

K

K

P

P

V

V

A

A

K

K

L

I

V

L

A

G

H

W

A

G

A

D

H

A

A

A

Q

Q

E

Q

P

P

K

S

D

K

F

F

T

T

V

T

A

A

P

P

I

A

G

L

A

A

I

I

N

P

K

K

V

A

L

L

A

K

K

H

A

A

G

G

W

V

S

G

I

Q

G

D

D

A

V

I

D

D

L

A

F

F

E

E

V

I

N

N

E

E

A
|
A

F
|
F

A

S

C

V

V

V

A

A

M

L

F

A

A

N

M

M

H

K

D

L

L

L

G

G

I

I

P

P

H

E

D

E

R

K

I

V

N

N

V

L

N

H

G

G

G

G

A

A

T

V

A

A

L

I

G

G

H
|
H

P

P

I

I

G

G

A

A

S

S

G

G

T

A

R

R

I

I

I

L

A

T

T

T

L

L

I

L

A

G

A

V

L

L

Q

K

N

A

R

K

G

K

K

G

K

K

R

L

G

G

I

C

A

A

S

G

L

I

C
|
C

I

N

G
|
G

G

G

G

G

E

G

A

A

T

S

A

A

V

L

A

V

I

V

E

E

L

L

V

L

active site: C93 (= C91), H353 (= H351), C383 (= C381), G385 (= G383)
binding coenzyme a: C93 (= C91), L153 (= L151), Y188 (≠ L187), N226 (≠ K225), N228 (= N227), K231 (= K230), A248 (= A246), P249 (≠ A247), S252 (= S250), A323 (= A321), F324 (= F322), H353 (= H351)

6bn2A Crystal structure of acetyl-coa acetyltransferase from elizabethkingia anophelis nuhp1
45% identity, 98% coverage: 7:393/395 of query aligns to 4:390/393 of 6bn2A

query
sites
6bn2A

V

V

V

F

F

I

L

V

S

S

Y

A

A

V

R

R

T

T

P

P

M

M

G

G

G

S

M

F

Q

M

G

G

V

S

L

L

S

S

D

G

A

V

S

P

A

A

T

T

D

Q

L

L

G

G

A

A

T

V

A

A

V

I

K

K

A

G

A

A

V

L

E

D

R

K

A

I

G

N

V

L

K

N

G

P

E

A

D

E

V

I

E

Q

R

D

I

V

Y

Y

M

M

G

G

C

N

V

V

L

L

P

Q

A

A

G

G

L

E

G

G

Q

Q

A

A

P

P

A

A

R

K

Q

Q

A

A

A

A

I

L

K

G

A

A

G

G

L

L

P

P

K

N

S

T

V

T

Q

P

A

T

T

T

T

A

V

V

N

N

K

K

V

V

C
|
C

G

A

S

S

G

G

M

M

Q

K

T

A

V

V

I

M

M

M

G

A

A

A

E

Q

A

A

L

V

A

K

A

A

G

G

S

D

I

V

D

E

L

A

A

I

V

V

A

A

G

G

G

G

M

M

E

E

S

N

M

M

T

S

N

Q

A

V

P

P

Y

H

L

Y

L

I

K

D

K

-

H

G

R

R

S

N

G

G

A

V

R

K

I

L

G

G

H

D

D

I

T

K

A

L

Y

Q

D

D

H

G

M

L

F

L

L

K

D

D

G

G

L

L

E

T

D

D

A

V

Y

Y

D

-

A

S

G

K

R

Q

A

H

M

M

G

G

T

N

F

C

A

A

Q

E

D

L

T

C

A

A

D

K

A

E

Y

Y

Q

N

L

I

S

T

R

R

Q

E

A

E

Q

Q

D

D

D

A

Y

F

A

A

I

I

E

Q

S

S

L
x
Y

R

E

R

R

A

S

Q

A

A

K

A

A

I

W

A

S

D

E

G

G

A

K

F

F

A

K

A

E

E

E

I

V

T

V

P

P

V

V

T

S

L

I

T

P

T

Q

R

R

K

K

G

G

E

E

-

P

V

I

V

I

V

F

D

A

T

E

D

D

E

E

Q

E

P

Y

G

K

K

N

G

V

N

K

P

F

D

D

K

R

I

I

P

P

T

T

L

L

R

P

P

T

A

V

F

F

A

Q

K

K

-

E

D

N

G

G

T

T

I

V

T

T

A
|
A

A
|
A

T

N

S
x
A

S

S

S

T

I

L

S

N

D

D

G

G

A

A

A

S

A

A

V

L

V

V

L

L

T

M

R

S

Q

K

S

E

V

K

A

M

E

E

K

S

K

L

G

G

A

L

K

K

P

P

V

L

A

A

K

K

L

I

V

V

A

S

H

Y

A

A

A

D

H

A

A

A

Q

Q

E

A

P

P

K

E

D

W

F

F

T

T

V

T

A

A

P

P

I

A

G

K

A

A

I

L

N

P

K

I

V

A

L

L

A

A

K

K

A

A

G

N

W

L

S

T

I

I

G

N

D

D

V

I

D

D

L

F

F

F

E

E

V

F

N

N

E

E

A

A

F

F

A

S

C

V

V

V

A

G

M

L

F

A

A

N

M

N

H

K

D

I

L

L

G

G

I

L

P

D

H

A

D

A

R

K

I

V

N

N

V

V

N

N

G

G

G

G

A

A

T
x
V

A

A

L

L

G

G

H
|
H

P

P

I

L

G

G

A

S

S

S

G

G

T

S

R

R

I

I

I

I

A

V

T

T

L

L

I

I

A

N

A

V

L

L

Q

K

N

Q

R

N

G

N

K

A

K

K

R

Y

G

G

I

A

A

A

S

A

L

I

C
|
C

I

N

G
|
G

G

G

G

G

E

G

A

A

T

S

A

A

V

I

A

V

I

I

E

E

active site: C88 (= C91), H348 (= H351), C378 (= C381), G380 (= G383)
binding calcium ion: Y182 (≠ L187), A243 (= A246), A244 (= A247), A246 (≠ S249), V344 (≠ T347)

1ou6A Biosynthetic thiolase from zoogloea ramigera in complex with acetyl-o- pantetheine-11-pivalate
46% identity, 99% coverage: 3:393/395 of query aligns to 1:390/392 of 1ou6A

query
sites
1ou6A

A

S

T

T

D

P

P

S

V

I

V

V

F

I

L

A

S

S

Y

A

A

A

R

R

T

T

P

A

M

V

G

G

G

S

M

F

Q

N

G

G

V

A

L

F

S

A

D

N

A

T

S

P

A

A

T

H

D

E

L

L

G

G

A

A

T

T

A

V

V

I

K

S

A

A

A

V

V

L

E

E

R

R

A

A

G

G

V

V

K

A

G

A

E

G

D

E

V

V

E

N

R

E

I

V

Y

I

M

L

G

G

C

Q

V

V

L

L

P

P

A

A

G

G

L

E

G

G

Q

Q

A

N

P

P

A

A

R

R

Q

Q

A

A

A

A

I

M

K

K

A

A

G

G

L

V

P

P

K

Q

S

E

V

A

Q

T

A

A

T

W

T

G

V

M

N

N

K

Q

V

L

C
|
C

G

G

S

S

G

G

M

L

Q

R

T

A

V

V

I

A

M

L

G

G

A

M

E

Q

A

Q

L

I

A

A

A

T

G

G

S

D

I

A

D

S

L

I

A

I

V

V

A

A

G

G

G

G

M

M

E

E

S

S

M

M

T

S

N

M

A

A

P

P

Y

H

L

C

L

-

K

A

K

H

H

L

R

R

S

G

G

G

A

V

R

K

I

M

G

G

H

D

D

F

T

K

A

M

Y

I

D

D

H

T

M

M

F

I

L

K

D

D

G

G

L
|
L

E

T

D

D

A

A

Y

F

D

-

A

Y

G

G

R

Y

A
x
H

M
|
M

G

G

T

T

F

T

A

A

Q

E

D

N

T

V

A

A

D

K

A

Q

Y

W

Q

Q

L

L

S

S

R

R

Q

D

A

E

Q

Q

D

D

D

A

Y

F

A

A

I

V

E

A

S

S

L

Q

R

N

R

K

A

A

Q

E

A

A

A

A

I

Q

A

K

D

D

G

G

A

R

F

F

A

K

A

D

E

E

I

I

T

V

P

P

V

F

T

I

L

V

T

K

T

G

R

R

K

K

G

G

E

D

V

I

V

T

V

V

D

D

T

A

D

D

E

E

Q

Y

P

I

G

R

K

H

G

G

-

A

N

T

P

L

D

D

K

S

I

M

P

A

T

K

L

L

R

R

P

P

A

A

F
|
F

A

D

K

K

D

E

G

G

T

T

I

V

T

T

A
|
A

A

G

T

N

S

A

S
|
S

S

G

I

L

S

N

D

D

G

G

A

A

A

A

A

A

V

A

V

L

L

L

T

M

R

S

Q

E

S

A

V

E

A

A

E

S

K

R

K

R

G

G

A

I

K

Q

P

P

V

L

A

G

K

R

L

I

V

V

A

S

H

W

A

A

A

T

H

V

A

G

Q

V

E

D

P

P

K

K

D

V

F

M

T

G

V

T

A

G

P

P

I

I

G

P

A

A

I

S

N

R

K

K

V

A

L

L

A

E

K

R

A

A

G

G

W

W

S

K

I

I

G

G

D

D

V

L

D

D

L

L

F

V

E

E

V

A

N

N

E

E

A
|
A

F
|
F

A

A

C

A

V

Q

A

A

M

C

F

A

A

V

M

N

H

K

D

D

L

L

G

G

I

W

P

D

H

P

D

S

R

I

I

V

N

N

V

V

N

N

G

G

G

G

A

A

T

I

A

A

L

I

G

G

H
|
H

P

P

I

I

G

G

A

A

S

S

G

G

T

A

R

R

I

I

I

L

A

N

T

T

L

L

I

L

A

F

A

E

L

M

Q

K

N

R

R

R

G

G

K

A

K

R

R

K

G

G

I

L

A

A

S

T

L

L

C
|
C

I

I

G
|
G

G

G

G

G

E

M

A

G

T

V

A

A

V

M

A

C

I

I

E

E

active site: C89 (= C91), H348 (= H351), C378 (= C381), G380 (= G383)
binding pantothenyl-aminoethanol-acetate pivalic acid: L148 (= L151), H156 (≠ A160), M157 (= M161), F235 (= F238), A243 (= A246), S247 (= S250), A318 (= A321), F319 (= F322), H348 (= H351)

6aqpC Aspergillus fumigatus cytosolic thiolase: acetylated enzyme in complex with coa and potassium ions
45% identity, 100% coverage: 1:395/395 of query aligns to 2:399/399 of 6aqpC

query
sites
6aqpC

M

M

T

S

A

S

T

L

D

P

P

A

V

V

V

Y

F

I

L

V

S

S

Y

S

A

A

R

R

T

T

P

P

M

V

G

G

G

S

M

F

Q

L

G

G

V

S

L

L

S

S

D

S

A

L

S

T

A

A

T

P

D

Q

L

L

G

G

A

A

T

H

A

A

V

I

K

K

A

A

A

A

V

L

E

A

R

K

A

V

-

D

G

G

V

L

K

K

G

P

E

S

D

D

V

V

E

Q

R

E

I

V

Y

F

M

F

G

G

C

N

V

V

L

I

P

S

A

A

G

N

L

V

G

G

Q

Q

A

N

P

P

A

A

R

R

Q

Q

A

C

A

A

I

L

K

G

A

A

G

G

L

L

P

E

K

E

S

S

V

T

Q

I

A

C

T

T

T

T

V

V

N

N

K

K

V

V

C
|
C

G

A

S

S

G

G

M

L

Q

K

T

A

V

I

I

I

M

L

G

G

A

A

E

Q

A

T

L

I

A

M

A

T

G

G

S

N

I

A

D

D

L

V

A

V

V

V

A

A

G

G

G

G

M

T

E

E

S

S

M

M

T

S

N

N

A

A

P

P

Y

H

L

Y

L

L

K

P

K

N

H

L

R

R

S

T

G

G

A

A

R

K

I

Y

G

G

H

H

D

Q

T

S

A

L

Y

V

D

D

H

G

M

I

F

M

L

K

D

D

G

G

L
|
L

E

T

D

D

A

A

Y

G

D

K

A

Q

G

-

R

E

A

L

M
|
M

G

G

T

L

F

Q

A

A

Q

E

D

E

T

C

A

A

D

Q

A

D

Y

H

Q

G

L

F

S

S

R

R

Q

E

A

Q

Q

Q

D

D

D

E

Y

Y

A

A

I

I

E

R

S

T

L
x
Y

R

E

R

K

A

A

Q

Q

A

A

A

A

I

Q

A

K

D

A

G

G

A

L

F

F

A

D

A

E

E

E

I

I

T

A

P

P

V

I

T

Q

L

L

T

P

T

G

R

F

K

R

G

G

-

K

-

P

E

D

V

V

V

T

V

V

D

T

T

Q

D

D

E

E

Q

E

P

P

G

K

K

N

G

L

N
|
N

P

P

D

E

K
|
K

I
x
L

P

R

T

A

L
x
I

R

K

P

P

A

A

F

F

A

I

K

P

-

G

D

S

G

G

T

T

I

V

T

T

A
|
A

A
x
P

T

N

S

S

S
|
S

S

P

I

L

S

N

D

D

G

G

A

A

A

A

A

A

V

V

V

V

L

L

T

V

R

S

Q

E

S

A

V

K

A

L

E

K

K

E

K

L

G

N

A

L

K

K

P

P

V

V

A

A

K

K

L

I

V

L

A

G

H

W

A

G

A

D

H

A

A

A

Q

Q

E

Q

P

P

K

S

D

K

F
|
F

T

T

V

T

A

A

P

P

I

A

G

L

A

A

I

I

N

P

K

K

V

A

L

L

A

K

K

H

A

A

G

G

W

V

S

G

I

Q

G

D

D

A

V

I

D

D

L

A

F

F

E

E

V

I

N

N

E

E

A
|
A

F
|
F

A

S

C

V

V

V

A

A

M

L

F

A

A

N

M

M

H

K

D

L

L

L

G

G

I

I

P

P

H

E

D

E

R

K

I

V

N

N

V

L

N

H

G

G

G

G

A

A

T

V

A

A

L

I

G

G

H
|
H

P

P

I

I

G

G

A

A

S

S

G

G

T

A

R

R

I

I

I

L

A

T

T

T

L

L

I

L

A

G

A

V

L

L

Q

K

N

A

R

K

G

K

K

G

K

K

R

L

G

G

I

C

A

A

S

G

L

I

C
|
C

I

N

G
|
G

G

G

G

G

E

G

A

A

T

S

A

A

V

L

A

V

I

V

E

E

L

L

V

L

active site: C93 (= C91), H355 (= H351), C385 (= C381), G387 (= G383)
binding acetyl coenzyme *a: C93 (= C91), L153 (= L151), M162 (= M161), Y188 (≠ L187), N230 (= N227), K233 (= K230), L234 (≠ I231), I237 (≠ L234), A250 (= A246), P251 (≠ A247), S254 (= S250), F295 (= F291), A325 (= A321), F326 (= F322), H355 (= H351)

2vu1A Biosynthetic thiolase from z. Ramigera. Complex of with o-pantheteine- 11-pivalate. (see paper)
46% identity, 99% coverage: 4:393/395 of query aligns to 1:389/391 of 2vu1A

query
sites
2vu1A

T

T

D

P

P

S

V

I

V

V

F

I

L

A

S

S

Y

A

A

A

R

R

T

T

P

A

M

V

G

G

G

S

M

F

Q

N

G

G

V

A

L

F

S

A

D

N

A

T

S

P

A

A

T

H

D

E

L

L

G

G

A

A

T

T

A

V

V

I

K

S

A

A

A

V

V

L

E

E

R

R

A

A

G

G

V

V

K

A

G

A

E

G

D

E

V

V

E

N

R

E

I

V

Y

I

M

L

G

G

C

Q

V

V

L

L

P

P

A

A

G

G

L

E

G

G

Q

Q

A

N

P

P

A

A

R

R

Q

Q

A

A

A

A

I

M

K

K

A

A

G

G

L

V

P

P

K

Q

S

E

V

A

Q

T

A

A

T

W

T

G

V

M

N

N

K

Q

V

L

C
|
C

G

G

S

S

G

G

M

L

Q

R

T

A

V

V

I

A

M

L

G

G

A

M

E

Q

A

Q

L

I

A

A

A

T

G

G

S

D

I

A

D

S

L

I

A

I

V

V

A

A

G

G

G

G

M

M

E

E

S

S

M

M

T

S

N

M

A

A

P

P

Y

H

L

C

L

-

K

A

K

H

H

L

R

R

S

G

G

G

A

V

R

K

I

M

G

G

H

D

D

F

T

K

A

M

Y

I

D

D

H

T

M

M

F

I

L

K

D

D

G

G

L

L

E

T

D

D

A

A

Y

F

D

-

A

Y

G

G

R

Y

A
x
H

M

M

G

G

T

T

F

T

A

A

Q

E

D

N

T

V

A

A

D

K

A

Q

Y

W

Q

Q

L

L

S

S

R

R

Q

D

A

E

Q

Q

D

D

D

A

Y

F

A

A

I

V

E

A

S

S

L

Q

R

N

R

K

A

A

Q

E

A

A

A

A

I

Q

A

K

D

D

G

G

A

R

F

F

A

K

A

D

E

E

I

I

T

V

P

P

V

F

T

I

L

V

T

K

T

G

R

R

K

K

G

G

E

D

V

I

V

T

V

V

D

D

T

A

D

D

E

E

Q

Y

P

I

G

R

K

H

G

G

-

A

N

T

P

L

D

D

K

S

I

M

P

A

T

K

L

L

R

R

P

P

A

A

F
|
F

A

D

K

K

D

E

G

G

T

T

I

V

T

T

A

A

A

G

T

N

S

A

S
|
S

S

G

I

L

S

N

D

D

G

G

A

A

A

A

A

A

V

A

V

L

L

L

T

M

R

S

Q

E

S

A

V

E

A

A

E

S

K

R

K

R

G

G

A

I

K

Q

P

P

V

L

A

G

K

R

L

I

V

V

A

S

H

W

A

A

A

T

H

V

A

G

Q

V

E

D

P

P

K

K

D

V

F

M

T

G

V

T

A

G

P

P

I

I

G

P

A

A

I

S

N

R

K

K

V

A

L

L

A

E

K

R

A

A

G

G

W

W

S

K

I

I

G

G

D

D

V

L

D

D

L

L

F

V

E

E

V

A

N

N

E

E

A
|
A

F
|
F

A

A

C

A

V

Q

A

A

M

C

F

A

A

V

M

N

H

K

D

D

L

L

G

G

I

W

P

D

H

P

D

S

R

I

I

V

N

N

V

V

N

N

G

G

G

G

A

A

T

I

A

A

L

I

G

G

H
|
H

P

P

I

I

G

G

A

A

S

S

G

G

T

A

R

R

I

I

I

L

A

N

T

T

L

L

I

L

A

F

A

E

L

M

Q

K

N

R

R

R

G

G

K

A

K

R

R

K

G

G

I

L

A

A

S

T

L

L

C
|
C

I

I

G
|
G

G

G

G

G

E

M

A

G

T

V

A

A

V

M

A

C

I

I

E

E

active site: C88 (= C91), H347 (= H351), C377 (= C381), G379 (= G383)
binding pantothenyl-aminoethanol-11-pivalic acid: H155 (≠ A160), F234 (= F238), S246 (= S250), A317 (= A321), F318 (= F322), H347 (= H351)

Q4WCL5 Acetyl-CoA acetyltransferase erg10B, cytosolic; Acetoacetyl-CoA thiolase erg10B; ACAT; Cytosolic thiolase erg10B; CT; Ergosterol biosynthesis protein 10B; EC 2.3.1.9 from Aspergillus fumigatus (strain ATCC MYA-4609 / CBS 101355 / FGSC A1100 / Af293) (Neosartorya fumigata)
45% identity, 100% coverage: 1:395/395 of query aligns to 1:398/398 of Q4WCL5

query
sites
Q4WCL5

M

M

T

S

A

S

T

L

D

P

P

A

V

V

V

Y

F

I

L

V

S

S

Y

S

A

A

R

R

T

T

P

P

M

V

G

G

G

S

M

F

Q

L

G

G

V

S

L

L

S

S

D

S

A

L

S

T

A

A

T

P

D

Q

L

L

G

G

A

A

T

H

A

A

V

I

K

K

A

A

A

A

V

L

E

A

R

K

A

V

-

D

G

G

V

L

K

K

G

P

E

S

D

D

V

V

E

Q

R

E

I

V

Y

F

M

F

G

G

C

N

V

V

L

I

P

S

A

A

G

N

L

V

G

G

Q

Q

A

N

P

P

A

A

R

R

Q

Q

A

C

A

A

I

L

K

G

A

A

G

G

L

L

P

E

K

E

S

S

V

T

Q

I

A

C

T

T

T

T

V

V

N

N

K

K

V

V

C

C

G

A

S

S

G

G

M

L

Q

K

T

A

V

I

I

I

M

L

G

G

A

A

E

Q

A

T

L

I

A

M

A

T

G

G

S

N

I

A

D

D

L

V

A

V

V

V

A

A

G

G

G

G

M

T

E

E

S

S

M

M

T

S

N

N

A

A

P

P

Y

H

L

Y

L

L

K

P

K

N

H

L

R

R

S

T

G

G

A

A

R

K

I

Y

G

G

H

H

D

Q

T

S

A

L

Y

V

D

D

H

G

M

I

F

M

L

K

D

D

G

G

L

L

E

T

D

D

A

A

Y

G

D

K

A

Q

G

-

R

E

A

L

M

M

G

G

T

L

F

Q

A

A

Q

E

D

E

T

C

A

A

D

Q

A

D

Y

H

Q

G

L

F

S

S

R

R

Q

E

A

Q

Q

Q

D

D

D

E

Y

Y

A

A

I

I

E

R

S

T

L
x
Y

R

E

R

K

A

A

Q

Q

A

A

A

A

I

Q

A

K

D

A

G

G

A

L

F

F

A

D

A

E

E

E

I

I

T

A

P

P

V

I

T

Q

L

L

T

P

T

G

R

F

K

R

G

G

-

K

-

P

E

D

V

V

V

T

V

V

D

T

T

Q

D

D

E

E

Q

E

P

P

G

K

K

N

G

L

N
|
N

P

P

D

E

K
|
K

I

L

P

R

T

A

L

I

R

K

P

P

A

A

F

F

A

I

K

P

-

G

D

S

G

G

T

T

I

V

T

T

A
|
A

A
x
P

T

N

S
|
S

S
|
S

S

P

I

L

S

N

D

D

G

G

A

A

A

A

A

A

V

V

V

V

L

L

T

V

R

S

Q

E

S

A

V

K

A

L

E

K

K

E

K

L

G

N

A

L

K

K

P

P

V

V

A

A

K

K

L

I

V

L

A

G

H

W

A

G

A

D

H

A

A

A

Q

Q

E

Q

P

P

K

S

D

K

F

F

T

T

V

T

A

A

P

P

I

A

G

L

A

A

I

I

N

P

K

K

V

A

L

L

A

K

K

H

A

A

G

G

W

V

S

G

I

Q

G

D

D

A

V

I

D

D

L

A

F

F

E

E

V

I

N

N

E

E

A

A

F

F

A

S

C

V

V

V

A

A

M

L

F

A

A

N

M

M

H

K

D

L

L

L

G

G

I

I

P

P

H

E

D

E

R

K

I

V

N

N

V

L

N

H

G

G

G

G

A

A

T
x
V

A

A

L

I

G

G

H

H

P

P

I

I

G

G

A

A

S

S

G

G

T

A

R

R

I

I

I

L

A

T

T

T

L

L

I

L

A

G

A

V

L

L

Q

K

N

A

R

K

G

K

K

G

K

K

R

L

G

G

I

C

A

A

S

G

L

I

C

C

I
x
N

G

G

G

G

G

G

E

G

A

A

T

S

A

A

V

L

A

V

I

V

E

E

L

L

V

L

Y187 (≠ L187) binding K(+)
N229 (= N227) binding CoA
K232 (= K230) binding CoA
A249 (= A246) binding K(+)
P250 (≠ A247) binding K(+)
S252 (= S249) binding K(+)
S253 (= S250) binding CoA
V350 (≠ T347) binding K(+)
N385 (≠ I382) binding chloride

2vu2A Biosynthetic thiolase from z. Ramigera. Complex with s-pantetheine-11- pivalate. (see paper)
46% identity, 98% coverage: 7:393/395 of query aligns to 2:387/389 of 2vu2A

query
sites
2vu2A

V

I

V

V

F

I

L

A

S

S

Y

A

A

A

R

R

T

T

P

A

M

V

G

G

G

S

M

F

Q

N

G

G

V

A

L

F

S

A

D

N

A

T

S

P

A

A

T

H

D

E

L

L

G

G

A

A

T

T

A

V

V

I

K

S

A

A

A

V

V

L

E

E

R

R

A

A

G

G

V

V

K

A

G

A

E

G

D

E

V

V

E

N

R

E

I

V

Y

I

M

L

G

G

C

Q

V

V

L

L

P

P

A

A

G

G

L

E

G

G

Q

Q

A

N

P

P

A

A

R

R

Q

Q

A

A

A

A

I

M

K

K

A

A

G

G

L

V

P

P

K

Q

S

E

V

A

Q

T

A

A

T

W

T

G

V

M

N

N

K

Q

V

L

C
|
C

G

G

S

S

G

G

M

L

Q

R

T

A

V

V

I

A

M

L

G

G

A

M

E

Q

A

Q

L

I

A

A

A

T

G

G

S

D

I

A

D

S

L

I

A

I

V

V

A

A

G

G

G

G

M

M

E

E

S

S

M

M

T

S

N

M

A

A

P

P

Y

H

L

C

L

-

K

A

K

H

H

L

R

R

S

G

G

G

A

V

R

K

I

M

G

G

H

D

D

F

T

K

A

M

Y

I

D

D

H

T

M

M

F

I

L

K

D

D

G

G

L

L

E

T

D

D

A

A

Y

F

D

-

A

Y

G

G

R

Y

A
x
H

M
|
M

G

G

T

T

F

T

A

A

Q

E

D

N

T

V

A

A

D

K

A

Q

Y

W

Q

Q

L

L

S

S

R

R

Q

D

A

E

Q

Q

D

D

D

A

Y

F

A

A

I

V

E

A

S

S

L

Q

R

N

R

K

A

A

Q

E

A

A

A

A

I

Q

A

K

D

D

G

G

A

R

F

F

A

K

A

D

E

E

I

I

T

V

P

P

V

F

T

I

L

V

T

K

T

G

R

R

K

K

G

G

E

D

V

I

V

T

V

V

D

D

T

A

D

D

E

E

Q

Y

P

I

G

R

K

H

G

G

-

A

N

T

P

L

D

D

K

S

I

M

P

A

T

K

L

L

R

R

P

P

A

A

F
|
F

A

D

K

K

D

E

G

G

T

T

I

V

T

T

A

A

A

G

T

N

S

A

S
|
S

S
x
G

I

L

S

N

D

D

G

G

A

A

A

A

A

A

V

A

V

L

L

L

T

M

R

S

Q

E

S

A

V

E

A

A

E

S

K

R

K

R

G

G

A

I

K

Q

P

P

V

L

A

G

K

R

L

I

V

V

A

S

H

W

A

A

A

T

H

V

A

G

Q

V

E

D

P

P

K

K

D

V

F

M

T

G

V

T

A

G

P

P

I

I

G

P

A

A

I

S

N

R

K

K

V

A

L

L

A

E

K

R

A

A

G

G

W

W

S

K

I

I

G

G

D

D

V

L

D

D

L

L

F

V

E

E

V

A

N

N

E

E

A

A

F
|
F

A

A

C

A

V

Q

A

A

M

C

F

A

A

V

M

N

H

K

D

D

L

L

G

G

I

W

P

D

H

P

D

S

R

I

I

V

N

N

V

V

N

N

G

G

G

G

A

A

T

I

A

A

L

I

G

G

H
|
H

P

P

I

I

G

G

A

A

S

S

G

G

T

A

R

R

I

I

I

L

A

N

T

T

L

L

I

L

A

F

A

E

L

M

Q

K

N

R

R

R

G

G

K

A

K

R

R

K

G

G

I

L

A

A

S

T

L

L

C
|
C

I

I

G
|
G

G

G

G

G

E

M

A

G

T

V

A

A

V

M

A

C

I

I

E

E

active site: C86 (= C91), H345 (= H351), C375 (= C381), G377 (= G383)
binding (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-dimethylpropanoate: H153 (≠ A160), M154 (= M161), F232 (= F238), S244 (= S250), G245 (≠ S251), F316 (= F322), H345 (= H351)

1dm3A Acetylated biosynthetic thiolase from zoogloea ramigera in complex with acetyl-coa (see paper)
46% identity, 98% coverage: 7:393/395 of query aligns to 2:387/389 of 1dm3A

query
sites
1dm3A

V

I

V

V

F

I

L

A

S

S

Y

A

A

A

R

R

T

T

P

A

M

V

G

G

G

S

M

F

Q

N

G

G

V

A

L

F

S

A

D

N

A

T

S

P

A

A

T

H

D

E

L

L

G

G

A

A

T

T

A

V

V

I

K

S

A

A

A

V

V

L

E

E

R

R

A

A

G

G

V

V

K

A

G

A

E

G

D

E

V

V

E

N

R

E

I

V

Y

I

M

L

G

G

C

Q

V

V

L

L

P

P

A

A

G

G

L

E

G

G

Q

Q

A

N

P

P

A

A

R

R

Q

Q

A

A

A

A

I

M

K

K

A

A

G

G

L

V

P

P

K

Q

S

E

V

A

Q

T

A

A

T

W

T

G

V

M

N

N

K

Q

V

L

C
|
C

G

G

S

S

G

G

M

L

Q

R

T

A

V

V

I

A

M

L

G

G

A

M

E

Q

A

Q

L

I

A

A

A

T

G

G

S

D

I

A

D

S

L

I

A

I

V

V

A

A

G

G

G

G

M

M

E

E

S

S

M

M

T

S

N

M

A

A

P

P

Y

H

L

C

L

-

K

A

K

H

H

L

R

R

S

G

G

G

A

V

R

K

I

M

G

G

H

D

D

F

T

K

A

M

Y

I

D

D

H

T

M

M

F

I

L

K

D

D

G

G

L
|
L

E

T

D

D

A

A

Y

F

D

-

A

Y

G

G

R

Y

A
x
H

M
|
M

G

G

T

T

F

T

A

A

Q

E

D

N

T

V

A

A

D

K

A

Q

Y

W

Q

Q

L

L

S

S

R

R

Q

D

A

E

Q

Q

D

D

D

A

Y

F

A

A

I

V

E

A

S

S

L

Q

R

N

R

K

A

A

Q

E

A

A

A

A

I

Q

A

K

D

D

G

G

A

R

F

F

A

K

A

D

E

E

I

I

T

V

P

P

V

F

T

I

L

V

T

K

T

G

R

R

K

K

G

G

E

D

V

I

V

T

V

V

D

D

T

A

D

D

E

E

Q

Y

P

I