SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_037573406.1 NCBI__GCF_000744815.1:WP_037573406.1 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)

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)
45% identity, 100% coverage: 1:404/406 of query aligns to 1:391/392 of P45359

query
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P45359

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K

V77 (vs. gap) 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 (= C90) modified: Disulfide link with 378, In inhibited form
S96 (≠ R98) binding acetate
N153 (≠ H158) 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 (≠ GV 292:293) binding acetate
A286 (≠ E299) 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 (= C391) modified: Disulfide link with 88, In inhibited form
A386 (= A399) binding acetate

4xl4A Crystal structure of thiolase from clostridium acetobutylicum in complex with coa (see paper)
45% identity, 100% coverage: 1:404/406 of query aligns to 1:391/392 of 4xl4A

query
sites
4xl4A

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active site: C88 (= C90), H348 (= H361), S378 (≠ C391), G380 (= G393)
binding coenzyme a: L148 (≠ R149), H156 (≠ R161), R220 (= R233), L231 (= L244), A243 (= A256), S247 (≠ C260), F319 (= F332), H348 (= H361)

8gqmA Crystal structure of thiolase complexed with acetyl coenzyme a
43% identity, 98% coverage: 5:403/406 of query aligns to 4:373/377 of 8gqmA

query
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8gqmA

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E

binding acetyl coenzyme *a: K18 (= K19), S89 (≠ C90), M124 (≠ N125), M146 (= M173), R205 (= R233), T208 (≠ V236), L213 (≠ V241), L216 (= L244), A226 (= A256), A227 (≠ G257), S229 (≠ C259), S230 (≠ C260), M271 (= M301), A301 (= A331), H331 (= H361), L333 (≠ F363)

2d3tC Fatty acid beta-oxidation multienzyme complex from pseudomonas fragi, form v (see paper)
41% identity, 99% coverage: 3:405/406 of query aligns to 6:390/390 of 2d3tC

query
sites
2d3tC

E

D

A

V

V

V

I

I

V

V

S

D

A

F

A

G

R

R

S

T

P

P

I

M

G

G

R

R

A

S

F

K

K

G

G

G

S

M

L

H

K

R

D

N

V

T

R

R

P

A

D

E

D

D

L

M

S

S

A

A

Q

H

I

L

I

I

K

S

A

K

A

V

L

L

D

E

K

R

V

N

P

S

E

K

L

V

D

D

P

P

T

G

Q

E

I

V

D

E

D

D

L

V

M

I

L

W

G

G

C

C

G

V

L

N

P

Q

G

T

G

L

E

E

Q

Q

G

G

H

W

N

N

L

I

A

A

R

R

V

M

I

A

A

S

V

L

Q

M

M

T

G

Q

M

I

D

P

H

H

L

T

P

S

G

A

A

A

-

Q

T

T

I

V

T

S

R

R

Y

L

C
|
C

S

G

S

S

L

M

Q

S

T

A

S

L

R

H

M

T

A

A

L

A

H

Q

A

A

I

I

K

M

A

T

G

G

E

N

G

G

D

D

V

V

F

F

I

V

S

V

A

G

G

G

V

V

E

E

C

H

V

M

S

G

R

-

Q

H

V

V

N

S

G

M

S

M

S

H

D

G

G

V

M

D

P

P

G

N

T

P

H

H

N

M

P

S

V

L

F

Y

A

-

D

-

A

-

E

-

A

-

R

-

T

-

Q

-

A

A

R

A

S

K

A

A

E

S

G

G

A

-

D

-

A

-

W

-

H

-

D

-

P

-

R

-

Q

-

D

-

G

-

Q

-

V

-

P

-

D

-

V

-

Y

-

I

-

A

M

M

M

G

G

Q

L

T

T

A

A

E

E

N

M

L

L

A

G

Q

K

L

M

K

H

G

G

I

I

T

S

R

R

Q

E

E

Q

M

Q

D

D

E

A

F

F

G

A

V

V

R

R

S

S

Q

H

N

Q

L

L

A

A

E

H

K

K

A

A

I

T

A

V

D

E

G

G

F

K

W

F

A

K

R

D

E

E

I

I

T

I

P

P

V

M

T

Q

L

G

P

Y

D

D

G

E

T

N

-

G

-

F

-

L

-

K

V

I

V

F

G

D

K

Y

D

D

D

E

G

T

P

I

R
|
R

A

P

G

D

V

T

T

T

L

L

E

E

G

S

V
x
L

S

A

G

A

L
|
L

K

K

P

P

V

A

F

F

R

N

P

P

D

K

-

G

G

G

T

T

V

V

T

T

A
|
A

G
|
G

N

T

C

S

C
x
S

P

Q

L
x
I

N

T

D

D

G

G

A

A

A

S

A

C

L

M

V

I

I

V

M

M

S

S

D

A

T

Q

K

R

A

A

R

K

E

D

L

L

G

G

L

L

T

E

P

P

L

L

A

A

R

V

I

I

V

R

S

S

T

M

G

A

V

V

T

A

G

G

L

V

S

D

P

P

E

A

I

I

M

M

G

G

Y

Y

G

G

P

P

V

V

E

P

A

A

S

T

K

Q

Q

K

A

A

L

L

K

K

R

R

A

A

G

G

L

L

S

N

I

M

G

A

D

D

I

I

D

D

L

F

V

I

E

E

I

L

N

N

E

E

A
|
A

F
|
F

A

A

Q

Q

V

A

I

L

P

P

S

V

Y

L

R

K

D

D

L

L

G

K

I

V

D

-

L

L

D

D

R

K

L

M

-

N

-

E

-

K

-

V

N

N

V

L

N

H

G

G

A

A

I

I

A

A

V

L

G

G

H
|
H

P

P

F

F

G

G

M

C

T

S

G

G

A

A

R

R

I

I

T

S

T

G

T

T

L

L

I

L

N

N

S

V

L

M

Q

K

W

Q

H

N

D

G

K

G

Q

T

F

F

G

G

L

L

E

S

T

T

M

M

C
|
C

V

I

G
|
G

G

L

G

G

Q

Q

G

G

M

I

A

A

M

T

V

V

I

F

E

E

R

R

L

V

active site: C94 (= C90), H346 (= H361), C376 (= C391), G378 (= G393)
binding acetyl coenzyme *a: C94 (= C90), R214 (= R233), L222 (≠ V241), L225 (= L244), A238 (= A256), G239 (= G257), S242 (≠ C260), I244 (≠ L262), A313 (= A331), F314 (= F332), H346 (= H361), C376 (= C391)

5f38B X-ray crystal structure of a thiolase from escherichia coli at 1.8 a resolution (see paper)
43% identity, 100% coverage: 1:405/406 of query aligns to 1:391/391 of 5f38B

query
sites
5f38B

M

M

P

K

E

N

A

C

V

V

I

I

V

V

S

S

A

A

A

V

R

R

S

T

P

A

I

I

G

G

R

-

A

S

F

F

K

N

G

G

S

S

L

L

K

A

D

S

V

T

R

S

P

A

D

I

D

D

L

L

S

G

A

A

Q

T

I

V

I

I

K

K

A

A

L

I

D

E

K

R

V

-

P

A

E

K

L

I

D

D

P

S

T

Q

Q

H

I

V

D

D

D

E

L

V

M

I

L

M

G

G

C

N

G

V

L

L

P

Q

G

A

G

G

E

-

Q

L

G

G

H

Q

N

N

L

P

A

A

R

R

V

Q

I

A

A

L

V

L

Q

K

M

S

G

G

M

L

-

A

D

E

H

T

L

V

P

C

G

G

A

F

T

T

I

V

T

N

R

K

Y

V

C
|
C

S

G

S

S

S

G

L

L

Q

K

T

S

S

V

R

A

M

L

A

A

L

A

H

Q

A

A

I

I

K

Q

A

A

G

G

E

Q

G

A

D

Q

V

S

F

I

I

V

S

A

A

G

G

G

V

M

E

E

C

N

V

M

S

S

R

L

Q

A

V

-

N

-

G

-

S

-

D

-

G

-

M

-

P

-

G

-

T

-

H

-

N

-

P

P

V

Y

F

L

A

L

D

D

A

A

E

K

A

A

R

R

T

S

Q

G

A

Y

R

R

S

L

A

G

E

D

G

G

A

-

D

Q

A

V

W

Y

H

D

D

V

P

I

R

L

Q

R

D

D

G

G

Q
x
L

V

M

P

C

D

A

V

T

Y

H

-

G

I

Y

A

H

M

M

G

G

Q

I

T

T

A

A

E

E

N

N

L

V

A

A

Q

K

L

E

K

Y

G

G

I

I

T

T

R

R

Q

E

E

M

M

Q

D

D

E

E

F

L

G

A

V

L

R

H

S

S

Q

Q

N

R

L

K

A

A

E

A

K

A

A

A

I

I

A

E

D

S

G

G

F

A

W

F

A

T

R

A

E

E

I

I

T

V

P

P

V

V

T

N

L

V

P

V

D

T

G

K

T

T

V

F

V

V

-

F

G

S

K

Q

D

D

D

E

G

F

P

P

R
x
K

A

A

G

N

V

S

T

T

L

A

E

E

G

A

V

L

S

G

G

A

L

L

K

R

P

P

V

A

F
|
F

R

D

P

K

D

A

G

G

T

T

V

V

T

T

A
|
A

G

G

N

N

C

A

C
x
S

P

G

L

I

N

N

D

D

G

G

A

A

L

L

V

V

I

I

M

M

S

E

D

E

T

S

K

A

A

A

R

L

E

A

L

A

G

G

L

L

T

T

P

P

L

L

A

A

R

R

I

I

V

K

S

S

T

Y

G

A

V

S

T

G

G

G

L

V

S

P

P

P

E

A

I

L

M

M

G

G

Y

M

G

G

P

P

V

V

E

P

A

A

S

T

K

Q

Q

K

A

A

L

L

K

Q

R

L

A

A

G

G

L

L

S

Q

I

L

G

A

D

D

I

I

D

D

L

L

V

I

E

E

I

A

N

N

E

E

A
|
A

F
|
F

A

A

Q

Q

V

F

I

L

P

A

S

V

Y

G

R

K

D

N

L

L

G

G

I

F

D

D

L

S

D

E

R

K

L

V

N

N

V

V

N

N

G

G

A

A

I

I

A

A

V

L

G

G

H
|
H

P

P

F

I

G

G

M

A

T

S

G

G

A

A

R

R

I

I

T

L

T

V

T

T

L

L

I

L

N

H

S

A

L

M

Q

Q

W

A

H

R

D

D

K

K

Q

T

F

L

G

G

L

L

E

A

T

T

M

L

C
|
C

V

I

G
|
G

G

G

Q

Q

G

G

M

I

A

A

M

M

V

V

I

I

E

E

R

R

L

L

active site: C88 (= C90), H347 (= H361), C377 (= C391), G379 (= G393)
binding coenzyme a: C88 (= C90), L149 (≠ Q165), K219 (≠ R233), F234 (= F248), A242 (= A256), S246 (≠ C260), A317 (= A331), F318 (= F332), H347 (= H361)

5f38D X-ray crystal structure of a thiolase from escherichia coli at 1.8 a resolution (see paper)
43% identity, 100% coverage: 1:404/406 of query aligns to 3:394/394 of 5f38D

query
sites
5f38D

M

M

P

K

E

N

A

C

V

V

I

I

V

V

S

S

A

A

A

V

R

R

S

T

P

A

I

I

G

G

R

-

A

S

F

F

K

N

G

G

S

S

L

L

K

A

D

S

V

T

R

S

P

A

D

I

D

D

L

L

S

G

A

A

Q

T

I

V

I

I

K

K

A

A

L

I

D

E

K

R

V

-

P

A

E

K

L

I

D

D

P

S

T

Q

Q

H

I

V

D

D

D

E

L

V

M

I

L

M

G

G

C

N

G

V

L

L

P

Q

G

A

G

G

E

-

Q

L

G

G

H

Q

N

N

L

P

A

A

R

R

V

Q

I

A

A

L

V

L

Q

K

M

S

G

G

M

L

-

A

D

E

H

T

L

V

P

C

G

G

A

F

T

T

I

V

T

N

R

K

Y

V

C
|
C

S

G

S

S

S

G

L

L

Q

K

T

S

S

V

R

A

M

L

A

A

L

A

H

Q

A

A

I

I

K

Q

A

A

G

G

E

Q

G

A

D

Q

V

S

F

I

I

V

S

A

A

G

G

G

V

M

E

E

C

N

V

M

S

S

R

L

Q

A

V

-

N

-

G

-

S

-

D

-

G

-

M

-

P

-

G

-

T

-

H

-

N

-

P

P

V

Y

F

L

A

L

D

D

A

A

E

K

A

A

R

R

T

S

Q

G

A

Y

R

R

S

L

A

G

E

D

G

G

A

-

D

Q

A

V

W

Y

H

D

D

V

P

I

R

L

Q

R

D

D

G

G

Q
x
L

V

M

P

C

D

A

V

T

Y

H

-

G

I

Y

A

H

M

M

G

G

Q

I

T

T

A

A

E

E

N

N

L

V

A

A

Q

K

L

E

K

Y

G

G

I

I

T

T

R

R

Q

E

E

M

M

Q

D

D

E

E

F

L

G

A

V

L

R

H

S

S

Q

Q

N

R

L

K

A

A

E

A

K

A

A

A

I

I

A

E

D

S

G

G

F

A

W

F

A

T

R

A

E

E

I

I

T

V

P

P

V

V

-

N

-

V

T

T

L

R

P

K

D

K

G

T

T

F

V

V

V

F

G

S

K

Q

D

D

D

E

G

F

P

P

R

K

A

A

G

N

V

S

T

T

L

A

E

E

G

A

V

L

S

G

G

A

L

L

K

R

P

P

V

A

F

F

R

D

P

K

D

A

G

G

T

T

V

V

T

T

A
|
A

G

G

N

N

C

A

C
x
S

P

G

L
x
I

N

N

D

D

G

G

A

A

L

L

V

V

I

I

M

M

S

E

D

E

T

S

K

A

A

A

R

L

E

A

L

A

G

G

L

L

T

T

P

P

L

L

A

A

R

R

I

I

V

K

S

S

T

Y

G

A

V

S

T

G

G

G

L

V

S

P

P

P

E

A

I

L

M

M

G

G

Y

M

G

G

P

P

V

V

E

P

A

A

S

T

K

Q

Q

K

A

A

L

L

K

Q

R

L

A

A

G

G

L

L

S

Q

I

L

G

A

D

D

I

I

D

D

L

L

V

I

E

E

I

A

N

N

E

E

A
|
A

F
|
F

A

A

Q

Q

V

F

I

L

P

A

S

V

Y

G

R

K

D

N

L

L

G

G

I

F

D

D

L

S

D

E

R

K

L

V

N

N

V

V

N

N

G

G

A

A

I

I

A
|
A

V

L

G

G

H
|
H

P

P

F

I

G

G

M

A

T

S

G

G

A

A

R

R

I

I

T

L

T

V

T

T

L

L

I

L

N

H

S

A

L

M

Q

Q

W

A

H

R

D

D

K

K

Q

T

F

L

G

G

L

L

E
x
A

T

T

M
x
L

C

C

V

I

G

G

Q

Q

G

G

M

I

A

A

M

M

V

V

I

I

E

E

R

R

active site: C90 (= C90), A348 (= A358), A378 (≠ E388), L380 (≠ M390)
binding [(3~{S})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(2-sulfanylethylamino)propyl]amino]butyl] phosphono hydrogen phosphate: C90 (= C90), L151 (≠ Q165), A246 (= A256), S250 (≠ C260), I252 (≠ L262), A321 (= A331), F322 (= F332), H351 (= H361)

P14611 Acetyl-CoA acetyltransferase; Acetoacetyl-CoA thiolase; Beta-ketothiolase; EC 2.3.1.9 from Cupriavidus necator (strain ATCC 17699 / DSM 428 / KCTC 22496 / NCIMB 10442 / H16 / Stanier 337) (Ralstonia eutropha) (see paper)
43% identity, 100% coverage: 1:404/406 of query aligns to 1:392/393 of P14611

query
sites
P14611

M

M

P

T

E

D

A

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I

I

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A

A

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-

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C

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-

G

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N

N

L

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A

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C

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-

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-

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-

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-

D

-

G

-

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-

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-

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D

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Y

-

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-

Q

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A
x
H

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M

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G

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A

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E

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N

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M

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N

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x
S

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L

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C88 (= C90) active site, Acyl-thioester intermediate; mutation to S: Almost complete loss of acetoacetyl-CoA thiolase activity.
H156 (≠ A172) mutation to A: Almost complete loss of acetoacetyl-CoA thiolase activity.
F219 (≠ G231) mutation to A: About 50% loss of acetoacetyl-CoA thiolase activity.; mutation to Y: 2-fold increase of acetoacetyl-CoA thiolase activity.
R221 (= R233) mutation to A: Almost complete loss of acetoacetyl-CoA thiolase activity.
S248 (≠ C260) mutation to A: About 40% loss of acetoacetyl-CoA thiolase activity.
H349 (= H361) mutation to A: Almost complete loss of acetoacetyl-CoA thiolase activity.
C379 (= C391) mutation to S: Almost complete loss of acetoacetyl-CoA thiolase activity.

4o9cC Crystal structure of beta-ketothiolase (phaa) from ralstonia eutropha h16 (see paper)
42% identity, 100% coverage: 1:404/406 of query aligns to 1:392/393 of 4o9cC

query
sites
4o9cC

M

M

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x
S

S

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A

A

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-

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L

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active site: S88 (≠ C90), H349 (= H361), C379 (= C391), G381 (= G393)
binding coenzyme a: S88 (≠ C90), L148 (≠ A154), R221 (= R233), F236 (= F248), A244 (= A256), S248 (≠ C260), L250 (= L262), A319 (= A331), F320 (= F332), H349 (= H361)

8jg2A Crystal structure of a biosynthetic thiolase from megasphaera hexanoica soaked with hexanoyl-coa
40% identity, 99% coverage: 1:403/406 of query aligns to 2:390/393 of 8jg2A

query
sites
8jg2A

M

M

P

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E

N

A

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I

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S

A

A

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-

A

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F

F

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N

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D

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A

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A

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L

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N

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A

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A

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G

M

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A

A

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-

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-

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-

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-

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N

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A

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A

A

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K

A

A

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G

A

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R

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A

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G

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D

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L

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C

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N

Y

G

I

Y

A
x
H

M

M

G

G

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T

T

A

A

E

E

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N

L

I

A

A

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F

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T

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R

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E

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Q

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M

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A

A

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A

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K

A

A

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A

A

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E

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F

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A

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I

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L

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-

T

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V

I

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K

D

D

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|
R

A

P

G

E

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x
T

T

T

L

L

E

E

G

G

V

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A

G

K

L

L

K

K

P

P

V

A

F

F

R

T

P

K

D

D

G

G

T

T

V

V

T

T

A
|
A

G

G

N

N

C

A

C
x
S

P

G

L
x
I

N

N

D

D

G

A

A

A

A

C

A

A

L

L

V

V

I

L

M

M

S

S

D

K

T

K

K

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A

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E

E

E

L

L

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P

L

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A

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I

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G

A

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T

A

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P

E

A

I

I

M

M

G

G

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T

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I

E

P

A

A

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K

A

L

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F

K

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K

A

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G

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L

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I

M

G

E

D

D

I

F

D

E

L

L

V

V

E

E

I

L

N

N

E

E

A
|
A

F
|
F

A

A

Q

Q

V

A

I

V

P

Y

S

C

Y

C

R

Q

D

Q

L

L

G

G

I

A

D

D

L

M

D

S

R

K

L

T

N

N

V

I

N

Y

G

G

G

S

A

G

I

I

A

S

V

L

G

G

H
|
H

P

P

F

V

G

G

M

C

T

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G

G

A

A

R

R

I

I

T

L

T

T

L

L

I

L

N

Y

S

A

L

L

Q

A

-

E

-

P

-

G

W

R

H

N

D

G

K

S

Q

R

F

Y

G

G

L

L

E

A

T

S

M

L

C

C

V

I

G

G

Q

Q

G

G

M

T

A

A

M

V

V

A

I

I

E

K

binding coenzyme a: L149 (≠ G164), H157 (≠ A172), R217 (= R233), T220 (≠ V236), A240 (= A256), S244 (≠ C260), I246 (≠ L262), A315 (= A331), F316 (= F332), H345 (= H361)

2vu1A Biosynthetic thiolase from z. Ramigera. Complex of with o-pantheteine- 11-pivalate. (see paper)
39% identity, 100% coverage: 2:405/406 of query aligns to 2:391/391 of 2vu1A

query
sites
2vu1A

P

P

E

S

A

I

V

V

I

I

V

A

S

S

A

A

R

R

S

T

P

A

I

V

G

G

R

-

A

S

F

F

K

N

G

G

S

A

L

F

K

A

D

N

V

T

R

P

P

A

D

H

D

E

L

L

S

G

A

A

Q

T

I

V

I

I

K

S

A

A

A

V

L

L

D

E

K

R

V

A

P

G

E

-

L

V

D

A

P

A

T

G

Q

E

I

V

D

N

D

E

L

V

M

I

L

L

G

G

C

Q

G

V

L

L

P

P

G

A

G

G

E

E

Q

-

G

G

H

Q

N

N

L

P

A

A

R

R

V

Q

I

A

A

A

V

M

Q

K

M

A

G

G

M

V

D

P

H

Q

L

E

P

A

G

T

A

A

T

W

-

G

I

M

T

N

R

Q

Y

L

C
|
C

S

G

S

S

S

G

L

L

Q

R

T

A

S

V

R

A

M

L

A

G

L

M

H

Q

A

Q

I

I

K

A

A

T

G

G

E

D

G

A

D

S

V

I

F

I

I

V

S

A

A

G

G

G

V

M

E

E

C

S

V

M

S

S

R

M

Q

A

V

-

N

-

G

-

S

-

D

-

G

-

M

-

P

-

G

-

T

-

H

-

N

-

P

P

V

H

F

C

A

A

D

H

A

L

E

R

A

G

R

G

T

V

Q

K

A

M

R

G

S

D

A

F

E

K

G

M

A

I

D

D

A

T

W

M

H

I

D

-

P

-

R

-

Q

K

D

D

G

G

Q

L

V

T

P

D

D

A

V

F

Y

Y

-

G

I

Y

A
x
H

M

M

G

G

Q

T

T

T

A

A

E

E

N

N

L

V

A

A

Q

K

L

Q

K

W

G

Q

I

L

T

S

R

R

Q

D

E

E

M

Q

D

D

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A

F

F

G

A

V

V

R

A

S

S

Q

Q

N

N

L

K

A

A

E

E

K

A

A

A

I

Q

A

K

D

D

G

G

F

R

W

F

A

K

R

D

E

E

I

I

T

V

P

P

V

F

T

I

L

V

P

K

D

G

-

R

-

K

-

G

G

D

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I

V

T

V

V

G

D

K

A

D

D

D

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G

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L

L

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D

G

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V

M

S

A

G

K

L

L

K

R

P

P

V

A

F
|
F

R

D

P

K

D

E

G

G

T

T

V

V

T

T

A

A

G

G

N

N

C

A

C
x
S

P

G

L

L

N

N

D

D

G

G

A

A

L

A

V

L

I

L

M

M

S

S

D

E

T

A

K

E

A

A

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S

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L

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G

L

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P

L

L

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G

R

R

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I

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W

G

A

V

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T

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G

G

L

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P

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M

M

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G

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G

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S

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K

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L

L

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G

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I

I

G

G

D

D

I

L

D

D

L

L

V

V

E

E

I

A

N

N

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E

A
|
A

F
|
F

A

A

Q

Q

V

A

I

C

P

A

S

V

Y

N

R

K

D

D

L

L

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G

I

W

D

D

L

P

D

S

R

I

L

V

N

N

V

V

N

N

G

G

A

A

I

I

A

A

V

I

G

G

H
|
H

P

P

F

I

G

G

M

A

T

S

G

G

A

A

R

R

I

I

T

L

T

N

T

T

L

L

I

L

N

F

S

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L

M

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R

H

R

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G

K

A

Q

R

F

K

G

G

L

L

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A

T

T

M

L

C
|
C

V

I

G
|
G

G

G

Q

M

G

G

M

V

A

A

M

M

V

C

I

I

E

E

R

S

L

L

active site: C88 (= C90), H347 (= H361), C377 (= C391), G379 (= G393)
binding pantothenyl-aminoethanol-11-pivalic acid: H155 (≠ A172), F234 (= F248), S246 (≠ C260), A317 (= A331), F318 (= F332), H347 (= H361)

1ou6A Biosynthetic thiolase from zoogloea ramigera in complex with acetyl-o- pantetheine-11-pivalate
39% identity, 100% coverage: 2:405/406 of query aligns to 3:392/392 of 1ou6A

query
sites
1ou6A

P

P

E

S

A

I

V

V

I

I

V

A

S

S

A

A

R

R

S

T

P

A

I

V

G

G

R

-

A

S

F

F

K

N

G

G

S

A

L

F

K

A

D

N

V

T

R

P

P

A

D

H

D

E

L

L

S

G

A

A

Q

T

I

V

I

I

K

S

A

A

A

V

L

L

D

E

K

R

V

A

P

G

E

-

L

V

D

A

P

A

T

G

Q

E

I

V

D

N

D

E

L

V

M

I

L

L

G

G

C

Q

G

V

L

L

P

P

G

A

G

G

E

E

Q

-

G

G

H

Q

N

N

L

P

A

A

R

R

V

Q

I

A

A

A

V

M

Q

K

M

A

G

G

M

V

D

P

H

Q

L

E

P

A

G

T

A

A

T

W

-

G

I

M

T

N

R

Q

Y

L

C
|
C

S

G

S

S

S

G

L

L

Q

R

T

A

S

V

R

A

M

L

A

G

L

M

H

Q

A

Q

I

I

K

A

A

T

G

G

E

D

G

A

D

S

V

I

F

I

I

V

S

A

A

G

G

G

V

M

E

E

C

S

V

M

S

S

R

M

Q

A

V

-

N

-

G

-

S

-

D

-

G

-

M

-

P

-

G

-

T

-

H

-

N

-

P

P

V

H

F

C

A

A

D

H

A

L

E

R

A

G

R

G

T

V

Q

K

A

M

R

G

S

D

A

F

E

K

G

M

A

I

D

D

A

T

W

M

H

I

D

-

P

-

R

-

Q

K

D

D

G

G

Q
x
L

V

T

P

D

D

A

V

F

Y

Y

-

G

I

Y

A
x
H

M
|
M

G

G

Q

T

T

T

A

A

E

E

N

N

L

V

A

A

Q

K

L

Q

K

W

G

Q

I

L

T

S

R

R

Q

D

E

E

M

Q

D

D

E

A

F

F

G

A

V

V

R

A

S

S

Q

Q

N

N

L

K

A

A

E

E

K

A

A

A

I

Q

A

K

D

D

G

G

F

R

W

F

A

K

R

D

E

E

I

I

T

V

P

P

V

F

T

I

L

V

P

K

D

G

-

R

-

K

-

G

G

D

T

I

V

T

V

V

G

D

K

A

D

D

D

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G

Y

P

I

R

R

A

H

G

G

V

A

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T

L

L

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D

G

S

V

M

S

A

G

K

L

L

K

R

P

P

V

A

F
|
F

R

D

P

K

D

E

G

G

T

T

V

V

T

T

A
|
A

G

G

N

N

C

A

C
x
S

P

G

L

L

N

N

D

D

G

G

A

A

L

A

V

L

I

L

M

M

S

S

D

E

T

A

K

E

A

A

R

S

E

R

L

R

G

G

L

I

T

Q

P

P

L

L

A

G

R

R

I

I

V

V

S

S

T

W

G

A

V

T

T

V

G

G

L

V

S

D

P

P

E

K

I

V

M

M

G

G

Y

T

G

G

P

P

V

I

E

P

A

A

S

S

K

R

Q

K

A

A

L

L

K

E

R

R

A

A

G

G

L

W

S

K

I

I

G

G

D

D

I

L

D

D

L

L

V

V

E

E

I

A

N

N

E

E

A
|
A

F
|
F

A

A

Q

Q

V

A

I

C

P

A

S

V

Y

N

R

K

D

D

L

L

G

G

I

W

D

D

L

P

D

S

R

I

L

V

N

N

V

V

N

N

G

G

A

A

I

I

A

A

V

I

G

G

H
|
H

P

P

F

I

G

G

M

A

T

S

G

G

A

A

R

R

I

I

T

L

T

N

T

T

L

L

I

L

N

F

S

E

L

M

Q

K

W

R

H

R

D

G

K

A

Q

R

F

K

G

G

L

L

E

A

T

T

M

L

C
|
C

V

I

G
|
G

G

G

Q

M

G

G

M

V

A

A

M

M

V

C

I

I

E

E

R

S

L

L

active site: C89 (= C90), H348 (= H361), C378 (= C391), G380 (= G393)
binding pantothenyl-aminoethanol-acetate pivalic acid: L148 (≠ Q165), H156 (≠ A172), M157 (= M173), F235 (= F248), A243 (= A256), S247 (≠ C260), A318 (= A331), F319 (= F332), H348 (= H361)

2vu2A Biosynthetic thiolase from z. Ramigera. Complex with s-pantetheine-11- pivalate. (see paper)
39% identity, 99% coverage: 5:405/406 of query aligns to 3:389/389 of 2vu2A

query
sites
2vu2A

V

V

I

I

V

A

S

S

A

A

R

R

S

T

P

A

I

V

G

G

R

-

A

S

F

F

K

N

G

G

S

A

L

F

K

A

D

N

V

T

R

P

P

A

D

H

D

E

L

L

S

G

A

A

Q

T

I

V

I

I

K

S

A

A

A

V

L

L

D

E

K

R

V

A

P

G

E

-

L

V

D

A

P

A

T

G

Q

E

I

V

D

N

D

E

L

V

M

I

L

L

G

G

C

Q

G

V

L

L

P

P

G

A

G

G

E

E

Q

-

G

G

H

Q

N

N

L

P

A

A

R

R

V

Q

I

A

A

A

V

M

Q

K

M

A

G

G

M

V

D

P

H

Q

L

E

P

A

G

T

A

A

T

W

-

G

I

M

T

N

R

Q