SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Pf1N1B4_5133 3-ketoacyl-CoA thiolase (EC 2.3.1.16) @ Acetyl-CoA acetyltransferase (EC 2.3.1.9) 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 / LMG 5710 / VKM B-1787) (see paper)
49% identity, 99% coverage: 4:393/394 of query aligns to 2:391/392 of P45359

query
sites
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 (≠ V99) binding
N153 (≠ A155) 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 (≠ AH 281:282) binding
A286 (≠ S288) 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 (= C380) modified: Disulfide link with 88, In inhibited form
A386 (= A388) binding

4xl4A Crystal structure of thiolase from clostridium acetobutylicum in complex with coa (see paper)
48% identity, 99% coverage: 4:393/394 of query aligns to 2:391/392 of 4xl4A

query
sites
4xl4A

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active site: C88 (= C91), H348 (= H350), S378 (≠ C380), G380 (= G382)
binding coenzyme a: L148 (= L150), H156 (= H158), M157 (= M159), R220 (= R222), L228 (= L230), L231 (≠ M233), F235 (= F237), A243 (= A245), G244 (= G246), S247 (= S249), G248 (= G250), L249 (= L251), A318 (= A320), F319 (= F321), H348 (= H350)

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)
48% identity, 99% coverage: 4:393/394 of query aligns to 2:392/393 of P14611

query
sites
P14611

S

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C88 (= C91) active site, Acyl-thioester intermediate; mutation to S: Almost complete loss of acetoacetyl-CoA thiolase activity.
H156 (= H158) mutation to A: Almost complete loss of acetoacetyl-CoA thiolase activity.
F219 (≠ H220) mutation to A: About 50% loss of acetoacetyl-CoA thiolase activity.; mutation to Y: 2-fold increase of acetoacetyl-CoA thiolase activity.
R221 (= R222) mutation to A: Almost complete loss of acetoacetyl-CoA thiolase activity.
S248 (= S249) mutation to A: About 40% loss of acetoacetyl-CoA thiolase activity.
H349 (= H350) mutation to A: Almost complete loss of acetoacetyl-CoA thiolase activity.
C379 (= C380) mutation to S: Almost complete loss of acetoacetyl-CoA thiolase activity.

4o9cC Crystal structure of beta-ketothiolase (phaa) from ralstonia eutropha h16 (see paper)
48% identity, 99% coverage: 4:393/394 of query aligns to 2:392/393 of 4o9cC

query
sites
4o9cC

S

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D

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V

V

S

S

A

A

V

A

R

R

S

T

A

A

I

V

G

G

S

K

F

F

G

G

S

S

L

L

K

A

D

K

V

I

P

P

P

A

I

P

Q

E

L

L

A

G

T

A

D

V

V

V

C

I

R

K

A

A

I

L

E

E

R

R

S

A

G

G

L

V

A

K

P

P

E

E

H

Q

I

V

G

S

H

E

A

V

V

I

M

M

G

G

H

Q

V

V

I

L

P

-

T

T

E

A

A

G

R

S

D

G

A

Q

Y

N

I

P

S

A

R

R

A

Q

V

A

A

A

I

I

N

K

A

A

G

G

L

L

T

P

K

A

E

M

T

V

P

P

A

A

F

M

N

T

V

I

N

N

R

K

L

V

C
x
S

G

G

S

S

G

G

L

L

Q

K

A

A

I

V

V

M

S

L

A

A

Q

N

S

A

L

I

M

M

L

A

G

G

D

D

A

A

G

E

A

I

A

V

L

V

A

A

G

G

V

Q

E

E

S

N

M

M

S

S

R

A

G

A

A

P

Y

H

L

V

L

L

P

P

Q

G

A

S

R

R

W

D

G

G

A

F

R

R

M

M

G

G

D

D

M

A

Q

K

A

L

I

V

D

D

Y

T

M

M

L

I

-

V

G

D

V

G

L
|
L

Q

W

D

D

P

V

F

Y

A

N

G

Q

F

Y

H
|
H

M

M

G

G

I

I

T

T

A

A

E

E

N

N

I

V

A

A

E

K

H

E

Y

Y

G

G

I

I

T

T

R

R

Q

E

A

A

Q

Q

D

D

E

E

L

F

A

A

L

V

L

G

S

S

Q

Q

Q

N

R

K

A

A

A

E

R

A

A

A

I

Q

A

K

E

A

G

G

R

K

F

F

A

D

G

E

Q

E

I

I

V

V

P

P

I

V

E

L

I

I

E

P

T

Q

R

R

K

K

G

G

T

D

-

P

V

V

T

A

F

F

A

K

T

T

D

D

E

E

H

F

V

V

R
|
R

A

Q

E

G

V

A

N

T

A

L

E

D

Q
x
S

L

M

S

S

R

G

M
x
L

K

K

P

P

A

A

F
|
F

K

D

K

K

D

A

G

G

S

T

V

V

T

T

A
|
A

G

A

N

N

A
|
A

S
|
S

G
|
G

L
|
L

N

N

D

D

G

G

A

A

G

A

A

A

L

V

I

V

M

V

A

M

T

S

G

A

Q

A

V

K

V

A

Q

K

E

E

Q

L

G

G

L

L

K

T

P

P

M

L

A

A

R

T

L

I

V

K

G

S

Y

Y

A

A

H

N

A

A

G

G

V

V

E

D

P

P

S

K

M

V

M

M

G

G

L

M

G

G

P

P

I

V

P

P

A

A

T

S

R

K

L

R

V

A

L

L

K

S

R

R

A

A

G

E

L

W

T

T

V

P

A

Q

D

D

L

L

D

D

V

L

I

M

E

E

S

I

N

N

E

E

A
|
A

F
|
F

A

A

Q

Q

A

A

C

L

A

A

V

V

A

H

Q

Q

E

Q

L

M

G

G

F

W

D

D

P

T

Q

S

K

K

V

V

N

N

P

V

N

N

G

G

S

G

G

A

I

I

S

A

L

I

G

G

H
|
H

P

P

V
x
I

G

G

A

A

T

S

G

G

A

C

I

R

I

I

A

L

T

V

K

T

A

L

I

L

H

H

E

E

L

M

H

K

R

R

C

R

Q

D

G

A

R

K

Y

K

A

G

L

L

A

A

T

S

M

L

C
|
C

I

I

G
|
G

G

G

Q

M

G

G

I

V

A

A

V

L

L

A

F

V

E

E

R

R

active site: S88 (≠ C91), H349 (= H350), C379 (= C380), G381 (= G382)
binding coenzyme a: S88 (≠ C91), L148 (= L150), H156 (= H158), R221 (= R222), S228 (≠ Q229), L232 (≠ M233), F236 (= F237), A244 (= A245), A247 (= A248), S248 (= S249), G249 (= G250), L250 (= L251), A319 (= A320), F320 (= F321), H349 (= H350), I351 (≠ V352), C379 (= C380)

5f38D X-ray crystal structure of a thiolase from escherichia coli at 1.8 a resolution (see paper)
49% identity, 99% coverage: 5:393/394 of query aligns to 5:394/394 of 5f38D

query
sites
5f38D

D

N

I

C

F

V

V

I

V

V

S

S

A

A

V

V

R

R

S

T

A

A

I

I

G

G

S

S

F

F

G

N

G

G

S

S

L

L

K

A

D

S

V

T

P

S

P

A

I

I

Q

D

L

L

A

G

T

A

D

T

V

V

C

I

R

K

A

A

I

I

E

E

R

R

S

A

G

K

L

I

A

D

P

S

E

Q

H

H

I

V

G

D

H

E

A

V

V

I

M

M

G

G

H

N

V

V

I

L

P

Q

T

A

E

-

A

G

R

L

D

G

A

Q

Y

N

I

P

S

A

R

R

A

Q

V

A

A

L

I

L

N

K

A

S

G

G

L

L

T

A

K

E

E

T

T

V

P

C

A

G

F

F

N

T

V

V

N

N

R

K

L

V

C
|
C

G

G

S

S

G

G

L

L

Q

K

A

S

I

V

V

A

S

L

A

A

Q

Q

S

A

L

I

M

Q

L

A

G

G

D

Q

A

A

G

Q

A

S

A

I

L

V

A

A

G

G

V

M

E

E

S

N

M

M

S

S

R

L

G

A

A

P

Y

Y

L

L

P

D

-

A

Q

K

A

A

R

R

W

S

G

G

A

Y

R

R

M

L

G

G

D

D

M

G

Q

Q

A

V

I

Y

D

D

Y

V

M

I

L

L

-

R

G

D

V

G

L
|
L

Q

M

D

C

P

A

F

T

A

H

G

G

F

Y

H
|
H

M
|
M

G

G

I

I

T

T

A

A

E

E

N

N

I

V

A

A

E

K

H

E

Y

Y

G

G

I

I

T

T

R

R

Q

E

A

M

Q

Q

D

D

E

E

L

L

A

A

L

L

L

H

S

S

Q

Q

Q

R

R

K

A

A

R

A

A

A

I

I

A

E

E

S

G

G

R

A

F

F

A

T

G

A

Q

E

I

I

V

V

P

P

I

V

E

N

I

V

E

V

T

T

R

R

K

K

G

K

T

T

V

F

T

V

F

F

A

S

T

Q

D

D

E

E

H

F

V

P

R

K

A

A

E

N

V

S

N

T

A

A

E

E

Q

A

L

L

S

G

R

A

M

L

K

R

P

P

A

A

F
|
F

K

D

K

K

D

A

G

G

S

T

V

V

T

T

A
|
A

G

G

N

N

A

A

S
|
S

G
|
G

L
x
I

N

N

D

D

G

G

A

A

G

A

A

A

L

L

I

V

M

I

A

M

T

E

G

E

Q

S

V

A

Q

L

E

A

Q

A

G

G

L

L

K

T

P

P

M

L

A

A

R

R

L

I

V

K

G

S

Y

Y

A

A

H

S

A

G

G

G

V

V

E

P

P

P

S

A

M

L

M
|
M

G

G

L

M

G

G

P

P

I

V

P

P

A

A

T

T

R

Q

L

K

V

A

L

L

K

Q

R

L

A

A

G

G

L

L

T

Q

V

L

A

A

D

D

L

I

D

D

V

L

I

I

E

E

S

A

N

N

E

E

A
|
A

F
|
F

A

A

Q

Q

A

F

C

L

A

A

V

V

A

G

Q

K

E

N

L

L

G

G

F

F

D

D

P

S

Q

E

K

K

V

V

N

N

P

V

N

N

G

G

S

G

G

A

I

I

S
x
A

L

L

G

G

H
|
H

P

P

V

I

G

G

A

A

T

S

G

G

A

A

I

R

I

I

A

L

T

V

K

T

A

L

I

L

H

H

E

A

L

M

H

Q

R

A

C

R

Q

D

G

K

R

T

Y

L

A

G

L

L

A
|
A

T

T

M
x
L

C

C

I

I

G

G

Q

Q

G

G

I

I

A

A

V

M

L

V

F

I

E

E

R

R

active site: C90 (= C91), A348 (≠ S347), A378 (= A377), L380 (≠ M379)
binding [(3~{S})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-(2-sulfanylethylamino)propyl]amino]butyl] phosphono hydrogen phosphate: C90 (= C91), L151 (= L150), H159 (= H158), M160 (= M159), F238 (= F237), A246 (= A245), S250 (= S249), G251 (= G250), I252 (≠ L251), M291 (= M290), A321 (= A320), F322 (= F321), H351 (= H350)

P42765 3-ketoacyl-CoA thiolase, mitochondrial; Acetyl-CoA acetyltransferase; Acetyl-CoA acyltransferase; Acyl-CoA hydrolase, mitochondrial; Beta-ketothiolase; Mitochondrial 3-oxoacyl-CoA thiolase; T1; EC 2.3.1.16; EC 2.3.1.9; EC 3.1.2.-; EC 3.1.2.1; EC 3.1.2.2 from Homo sapiens (Human) (see paper)
44% identity, 98% coverage: 6:392/394 of query aligns to 7:394/397 of P42765

query
sites
P42765

I

V

F

F

V

V

S

A

A

A

V

K

R

R

S

T

A

P

I

F

G

G

S

A

F

Y

G

G

S

L

L

L

K

K

D

D

V

F

P

T

P

A

I

T

Q

D

L

L

A

S

T

E

D

F

V

A

C

A

R

K

A

A

I

L

E

S

R

A

S

G

G

K

L

V

A

S

P

P

E

E

H

T

I

V

G

D

H

S

A

V

V

I

M

M

G

G

H

N

V

V

I

L

P

Q

T

S

E

S

A

S

R

D

D

A

A

I

Y

Y

I

L

S

A

R

R

A

H

V

V

A

G

I

L

N

R

A

V

G

G

L

I

T

P

K

K

E

E

T

T

P

P

A

A

F

L

N

T

V

I

N

N

R

R

L

L

C
|
C

G

G

S

S

G

G

L

F

Q

Q

A

S

I

I

V

V

S

N

A

G

A

C

Q

Q

S

E

L

I

M

C

L

V

G

K

D

E

A

A

G

E

A

V

L

L

A

C

G

G

V

T

E

E

S

S

M

M

S

S

R

Q

G

A

A

P

Y

Y

L

C

L

V

P

R

Q

N

A

V

R

R

W

F

G

G

A

T

R

K

M

L

G

G

-

S

D

D

M

I

Q

K

A

L

I

E

D

D

Y

S

M

L

L

W

G

V

V

S

L

L

Q

T

D

D

P

Q

F

H

A

V

G

Q

F

L

H

P

M

M

G

A

I

M

T

T

A

A

E

E

N

N

I

L

A

A

E

V

H

K

Y

H

G

K

I

I

T

S

R

R

Q

E

A

E

Q

C

D

D

E

K

L

Y

A

A

L

L

L

Q

S

S

Q

Q

R

R

A

W

A

K

R

A

A

A

I

N

A

D

E

A

G

G

R

Y

F

F

A

N

G

D

Q

E

I

M

V

A

P

P

I

I

E

E

I

V

E

K

T

T

R

K

K

K

G

G

T

K

V

Q

T

T

F

M

A

Q

T

V

D

D

E

E

H

H

V

A

R
|
R

A

P

E

Q

V
x
T

N

T

A

L

E

E

Q

Q

L

L

S

Q

R

K

M

L

K

P

P

P

A

V

F

F

K

K

D

D

G

G

S

T

V

V

T

T

A

A

G

G

N

N

A

A

S
|
S

G

G

L

V

N

A

D

D

G

G

A

A

G

G

A

A

L

V

I

I

M

I

A

A

T

S

G

E

Q

D

V

A

V

V

Q

K

E

K

Q

H

G

N

L

F

K

T

P

P

M

L

A

A

R

R

L

I

V

V

G

G

Y

Y

A

F

H

V

A

S

G

G

V

C

E

D

P

P

S

S

M

I

M

M

G

G

L

I

G

G

P

P

I

V

P

P

A

A

T

I

R

S

L

G

V

A

L

L

K

K

R

K

A

A

G

G

L

L

T

S

V

L

A

K

D

D

L

M

D

D

V

L

I

V

E

E

S

V

N

N

E

E

A

A

F

F

A

A

A

P

Q

Q

A

Y

C

L

A

A

V

V

A

E

Q

R

E

S

L

L

G

D

F

L

D

D

P

I

Q

S

K

K

V

T

N

N

P

V

N

N

G

G

S

G

G

A

I

I

S

A

L

L

G

G

H

H

P

P

V

L

G

G

A

G

T

S

G

G

A

S

I

R

I

I

A

T

T

A

K

H

A

L

I

V

H

H

E

E

L

L

H

R

R

R

C

R

Q

G

G

G

R

K

Y

Y

A

A

L

V

A

G

T

S

M

A

C
|
C

I

I

G

G

Q

Q

G

G

I

I

A

A

V

V

L

I

F

I

E

Q

C92 (= C91) mutation to A: Decreased acyl-CoA hydrolase activity.; mutation to S: Decreased acyl-CoA hydrolase activity; when associated with A-382.
R224 (= R222) binding
T227 (≠ V225) binding
S251 (= S249) binding
C382 (= C380) mutation to S: Decreased acyl-CoA hydrolase activity; when associated with S-92.

2vu2A Biosynthetic thiolase from z. Ramigera. Complex with s-pantetheine-11- pivalate. (see paper)
44% identity, 99% coverage: 6:394/394 of query aligns to 2:389/389 of 2vu2A

query
sites
2vu2A

I

I

F

V

V

I

V

A

S

S

A

A

V

A

R

R

S

T

A

A

I

V

G

G

S

S

F

F

G

N

G

G

S

A

L

F

K

A

D

N

V

T

P

P

P

A

I

H

Q

E

L

L

A

G

T

A

D

T

V

V

C

I

R

S

A

A

A

V

I

L

E

E

R

R

S

A

G

G

L

V

A

A

P

A

E

G

H

E

I

V

G

N

H

E

A

V

V

I

M

L

G

G

H

Q

V

V

I

L

P

P

T

A

-

G

E

E

A

G

R

Q

D

N

A

P

Y

-

I

-

S

A

R

R

A

Q

V

A

A

A

I

M

N

K

A

A

G

G

L

V

T

P

K

Q

E

E

T

A

P

T

A

A

F

W

N

G

V

M

N

N

R

Q

L

L

C
|
C

G

G

S

S

G

G

L

L

Q

R

A

A

I

V

V

A

S

L

A

G

A

M

Q

Q

S

Q

L

I

M

A

L

T

G

G

D

D

A

A

G

S

A

I

L

V

A

A

G

G

V

M

E

E

S

S

M

M

S

S

R

M

G

A

A

P

Y

H

L

C

L

-

P

A

Q

H

A

L

R

R

W

G

G

G

A

V

R

K

M

M

G

G

D

D

M

F

Q

K

A

M

I

I

D

D

Y

T

M

M

L

I

G

K

V

D

-

G

L
|
L

Q

T

D

D

P

A

F

F

A

Y

G

G

F

Y

H
|
H

M
|
M

G

G

I

T

T

T

A

A

E

E

N

N

I

V

A

A

E

K

H

Q

Y

W

G

Q

I

L

T

S

R

R

Q

D

A

E

Q

Q

D

D

E

A

L

F

A

A

L

V

L

A

S

S

Q

Q

Q

N

R

K

A

A

A

E

R

A

A

A

I

Q

A

K

E

D

G

G

R

R

F

F

A

K

G

D

Q

E

I

I

V

V

P

P

I

F

E

I

I

V

E

K

T

G

R

R

K

K

G

G

T

D

V

I

T

T

F

V

A

D

T

A

D

D

E

E

H

Y

V

I

R

R

A

H

E

G

V

A

N

T

A

L

E

D

Q

S

L

M

S

A

R

K

M

L

K

R

P

P

A

A

F
|
F

K

D

K

K

D

E

G

G

S

T

V

V

T

T

A
|
A

G

G

N

N

A

A

S
|
S

G
|
G

L
|
L

N

N

D

D

G

G

A

A

G

A

A

A

L

A

I

L

M

L

A

M

T

S

G

E

Q

A

V

E

V

A

Q

S

E

R

Q

R

G

G

L

I

K

Q

P

P

M

L

A

G

R

R

L

I

V

V

G

S

Y

W

A

A

H

T

A

V

G

G

V

V

E

D

P

P

S

K

M

V

M

M

G

G

L

T

G

G

P

P

I

I

P

P

A

A

T

S

R

R

L

K

V

A

L

L

K

E

R

R

A

A

G

G

L

W

T

K

V

I

A

G

D

D

L

L

D

D

V

L

I

V

E

E

S

A

N

N

E

E

A
|
A

F
|
F

A

A

Q

Q

A

A

C

C

A

A

V

V

A

N

Q

K

E

D

L

L

G

G

F

W

D

D

P

P

Q

S

K

I

V

V

N

N

P

V

N

N

G

G

S

G

G

A

I

I

S

A

L

I

G

G

H
|
H

P

P

V

I

G

G

A

A

T

S

G

G

A

A

I

R

I

I

A

L

T

N

K

T

A

L

I

L

H

F

E

E

L

M

H

K

R

R

C

R

Q

G

G

A

R

R

Y

K

A

G

L

L

A

A

T

T

M

L

C
|
C

I

I

G
|
G

G

G

Q

M

G

G

I

V

A

A

V

M

L

C

F

I

E

E

R

S

V

L

active site: C86 (= C91), H345 (= H350), C375 (= C380), G377 (= G382)
binding (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-dimethylpropanoate: C86 (= C91), L145 (= L150), H153 (= H158), M154 (= M159), F232 (= F237), A240 (= A245), S244 (= S249), G245 (= G250), L246 (= L251), A315 (= A320), F316 (= F321), H345 (= H350)

1dm3A Acetylated biosynthetic thiolase from zoogloea ramigera in complex with acetyl-coa (see paper)
44% identity, 99% coverage: 6:394/394 of query aligns to 2:389/389 of 1dm3A

query
sites
1dm3A

I

I

F

V

V

I

V

A

S

S

A

A

V

A

R

R

S

T

A

A

I

V

G

G

S

S

F

F

G

N

G

G

S

A

L

F

K

A

D

N

V

T

P

P

P

A

I

H

Q

E

L

L

A

G

T

A

D

T

V

V

C

I

R

S

A

A

A

V

I

L

E

E

R

R

S

A

G

G

L

V

A

A

P

A

E

G

H

E

I

V

G

N

H

E

A

V

V

I

M

L

G

G

H

Q

V

V

I

L

P

P

T

A

-

G

E

E

A

G

R

Q

D

N

A

P

Y

-

I

-

S

A

R

R

A

Q

V

A

A

A

I

M

N

K

A

A

G

G

L

V

T

P

K

Q

E

E

T

A

P

T

A

A

F

W

N

G

V

M

N

N

R

Q

L

L

C
|
C

G

G

S

S

G

G

L

L

Q

R

A

A

I

V

V

A

S

L

A

G

A

M

Q

Q

S

Q

L

I

M

A

L

T

G

G

D

D

A

A

G

S

A

I

L

V

A

A

G

G

V

M

E

E

S

S

M

M

S

S

R

M

G

A

A

P

Y

H

L

C

L

-

P

A

Q

H

A

L

R

R

W

G

G

G

A

V

R

K

M

M

G

G

D

D

M

F

Q

K

A

M

I

I

D

D

Y

T

M

M

L

I

G

K

V

D

-

G

L
|
L

Q

T

D

D

P

A

F

F

A

Y

G

G

F

Y

H
|
H

M
|
M

G

G

I

T

T

T

A

A

E

E

N

N

I

V

A

A

E

K

H

Q

Y

W

G

Q

I

L

T

S

R

R

Q

D

A

E

Q

Q

D

D

E

A

L

F

A

A

L

V

L

A

S

S

Q

Q

Q

N

R

K

A

A

A

E

R

A

A

A

I

Q

A

K

E

D

G

G

R

R

F

F

A

K

G

D

Q

E

I

I

V

V

P

P

I

F

E

I

I

V

E

K

T

G

R

R

K

K

G

G

T

D

V

I

T

T

F

V

A

D

T

A

D

D

E

E

H

Y

V

I

R
|
R

A

H

E

G

V

A

N

T

A

L

E

D

Q
x
S

L
x
M

S

A

R

K

M
x
L

K

R

P

P

A

A

F
|
F

K

D

K

K

D

E

G

G

S

T

V

V

T

T

A
|
A

G
|
G

N

N

A
|
A

S
|
S

G
|
G

L
|
L

N

N

D

D

G

G

A

A

G

A

A

A

L

A

I

L

M

L

A

M

T

S

G

E

Q

A

V

E

V

A

Q

S

E

R

Q

R

G

G

L

I

K

Q

P

P

M

L

A

G

R

R

L

I

V

V

G

S

Y

W

A

A

H

T

A

V

G

G

V

V

E

D

P

P

S

K

M

V

M
|
M

G

G

L

T

G

G

P

P

I

I

P

P

A

A

T

S

R

R

L

K

V

A

L

L

K

E

R

R

A

A

G

G

L

W

T

K

V

I

A

G

D

D

L

L

D

D

V

L

I

V

E

E

S

A

N

N

E

E

A
|
A

F
|
F

A

A

Q

Q

A

A

C

C

A

A

V

V

A

N

Q

K

E

D

L

L

G

G

F

W

D

D

P

P

Q

S

K

I

V

V

N

N

P

V

N

N

G

G

S

G

G

A

I

I

S

A

L

I

G

G

H
|
H

P

P

V

I

G

G

A

A

T

S

G

G

A

A

I

R

I

I

A

L

T

N

K

T

A

L

I

L

H

F

E

E

L

M

H

K

R

R

C

R

Q

G

G

A

R

R

Y

K

A

G

L

L

A

A

T

T

M

L

C
|
C

I
|
I

G
|
G

G

G

Q

M

G

G

I

V

A

A

V

M

L

C

F

I

E

E

R

S

V

L

active site: C86 (= C91), H345 (= H350), C375 (= C380), G377 (= G382)
binding acetyl coenzyme *a: C86 (= C91), L145 (= L150), H153 (= H158), M154 (= M159), R217 (= R222), S224 (≠ Q229), M225 (≠ L230), L228 (≠ M233), F232 (= F237), A240 (= A245), G241 (= G246), A243 (= A248), S244 (= S249), G245 (= G250), L246 (= L251), M285 (= M290), A315 (= A320), F316 (= F321), H345 (= H350), C375 (= C380), I376 (= I381)

1dlvA Biosynthetic thiolase from zoogloea ramigera in complex with coa (see paper)
44% identity, 99% coverage: 6:394/394 of query aligns to 2:389/389 of 1dlvA

query
sites
1dlvA

I

I

F

V

V

I

V

A

S

S

A

A

V

A

R

R

S

T

A

A

I

V

G

G

S

S

F

F

G

N

G

G

S

A

L

F

K

A

D

N

V

T

P

P

P

A

I

H

Q

E

L

L

A

G

T

A

D

T

V

V

C

I

R

S

A

A

A

V

I

L

E

E

R

R

S

A

G

G

L

V

A

A

P

A

E

G

H

E

I

V

G

N

H

E

A

V

V

I

M

L

G

G

H

Q

V

V

I

L

P

P

T

A

-

G

E

E

A

G

R

Q

D

N

A

P

Y

-

I

-

S

A

R

R

A

Q

V

A

A

A

I

M

N

K

A

A

G

G

L

V

T

P

K

Q

E

E

T

A

P

T

A

A

F

W

N

G

V

M

N

N

R

Q

L

L

C
|
C

G

G

S

S

G

G

L

L

Q

R

A

A

I

V

V

A

S

L

A

G

A

M

Q

Q

S

Q

L

I

M

A

L

T

G

G

D

D

A

A

G

S

A

I

L

V

A

A

G

G

V

M

E

E

S

S

M

M

S

S

R

M

G

A

A

P

Y

H

L

C

L

-

P

A

Q

H

A

L

R

R

W

G

G

G

A

V

R

K

M

M

G

G

D

D

M

F

Q

K

A

M

I

I

D

D

Y

T

M

M

L

I

G

K

V

D

-

G

L
|
L

Q

T

D

D

P

A

F

F

A

Y

G

G

F

Y

H
|
H

M
|
M

G

G

I

T

T

T

A

A

E

E

N

N

I

V

A

A

E

K

H

Q

Y

W

G

Q

I

L

T

S

R

R

Q

D

A

E

Q

Q

D

D

E

A

L

F

A

A

L

V

L

A

S

S

Q

Q

Q

N

R

K

A

A

A

E

R

A

A

A

I

Q

A

K

E

D

G

G

R

R

F

F

A

K

G

D

Q

E

I

I

V

V

P

P

I

F

E

I

I

V

E

K

T

G

R

R

K

K

G

G

T

D

V

I

T

T

F

V

A

D

T

A

D

D

E

E

H

Y

V

I

R
|
R

A

H

E

G

V

A

N

T

A

L

E

D

Q
x
S

L
x
M

S

A

R

K

M
x
L

K

R

P

P

A

A

F
|
F

K

D

K

K

D

E

G

G

S

T

V

V

T

T

A
|
A

G
|
G

N

N

A

A

S
|
S

G
|
G

L
|
L

N

N

D

D

G

G

A

A

G

A

A

A

L

A

I

L

M

L

A

M

T

S

G

E

Q

A

V

E

V

A

Q

S

E

R

Q

R

G

G

L

I

K

Q

P

P

M

L

A

G

R

R

L

I

V

V

G

S

Y

W

A

A

H

T

A

V

G

G

V

V

E

D

P

P

S

K

M

V

M

M

G

G

L

T

G

G

P

P

I

I

P

P

A

A

T

S

R

R

L

K

V

A

L

L

K

E

R

R

A

A

G

G

L

W

T

K

V

I

A

G

D

D

L

L

D

D

V

L

I

V

E

E

S

A

N

N

E

E

A

A

F
|
F

A

A

Q

Q

A

A

C

C

A

A

V

V

A

N

Q

K

E

D

L

L

G

G

F

W

D

D

P

P

Q

S

K

I

V

V

N

N

P

V

N

N

G

G

S

G

G

A

I

I

S

A

L

I

G

G

H
|
H

P

P

V

I

G

G

A

A

T

S

G

G

A

A

I

R

I

I

A

L

T

N

K

T

A

L

I

L

H

F

E

E

L

M

H

K

R

R

C

R

Q

G

G

A

R

R

Y

K

A

G

L

L

A

A

T

T

M

L

C
|
C

I

I

G
|
G

G

G

Q

M

G

G

I

V

A

A

V

M

L

C

F

I

E

E

R

S

V

L

active site: C86 (= C91), H345 (= H350), C375 (= C380), G377 (= G382)
binding coenzyme a: C86 (= C91), L145 (= L150), H153 (= H158), M154 (= M159), R217 (= R222), S224 (≠ Q229), M225 (≠ L230), L228 (≠ M233), F232 (= F237), A240 (= A245), G241 (= G246), S244 (= S249), G245 (= G250), L246 (= L251), F316 (= F321), H345 (= H350)

1ou6A Biosynthetic thiolase from zoogloea ramigera in complex with acetyl-o- pantetheine-11-pivalate
44% identity, 99% coverage: 6:394/394 of query aligns to 5:392/392 of 1ou6A

query
sites
1ou6A

I

I

F

V

V

I

V

A

S

S

A

A

V

A

R

R

S

T

A

A

I

V

G

G

S

S

F

F

G

N

G

G

S

A

L

F

K

A

D

N

V

T

P

P

P

A

I

H

Q

E

L

L

A

G

T

A

D

T

V

V

C

I

R

S

A

A

A

V

I

L

E

E

R

R

S

A

G

G

L

V

A

A

P

A

E

G

H

E

I

V

G

N

H

E

A

V

V

I

M

L

G

G

H

Q

V

V

I

L

P

P

T

A

-

G

E

E

A

G

R

Q

D

N

A

P

Y

-

I

-

S

A

R

R

A

Q

V

A

A

A

I

M

N

K

A

A

G

G

L

V

T

P

K

Q

E

E

T

A

P

T

A

A

F

W

N

G

V

M

N

N

R

Q

L

L

C
|
C

G

G

S

S

G

G

L

L

Q

R

A

A

I

V

V

A

S

L

A

G

A

M

Q

Q

S

Q

L

I

M

A

L

T

G

G

D

D

A

A

G

S

A

I

L

V

A

A

G

G

V

M

E

E

S

S

M

M

S

S

R

M

G

A

A

P

Y

H

L

C

L

-

P

A

Q

H

A

L

R

R

W

G

G

G

A

V

R

K

M

M

G

G

D

D

M

F

Q

K

A

M

I

I

D

D

Y

T

M

M

L
x
I

G

K

V

D

-

G

L
|
L

Q

T

D

D

P

A

F

F

A

Y

G

G

F

Y

H
|
H

M
|
M

G

G

I

T

T

T

A

A

E

E

N

N

I

V

A

A

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K

H

Q

Y

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F

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D

K

K

D

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G

G

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V

V

T

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A
|
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N

N

A

A

S
|
S

G
|
G

L
|
L

N

N

D

D

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G

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A

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D

L

L

D

D

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L

I

V

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E

S

A

N

N

E

E

A
|
A

F
|
F

A

A

Q

Q

A

A

C

C

A

A

V

V

A

N

Q

K

E

D

L

L

G

G

F

W

D

D

P

P

Q

S

K

I

V

V

N

N

P

V

N

N

G

G

S

G

G

A

I

I

S

A

L

I

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G

H
|
H

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P

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G

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A

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S

G

G

A

A

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R

I

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A

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N

K

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A

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I

L

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E

L

M

H

K

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R

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G

A

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R

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K

A

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L

L

A

A

T

T

M

L

C
|
C

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I

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|
G

G

G

Q

M

G

G

I

V

A

A

V

M

L

C

F

I

E

E

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S

V

L

active site: C89 (= C91), H348 (= H350), C378 (= C380), G380 (= G382)
binding pantothenyl-aminoethanol-acetate pivalic acid: I144 (≠ L147), L148 (= L150), H156 (= H158), M157 (= M159), A234 (= A236), F235 (= F237), A243 (= A245), S247 (= S249), G248 (= G250), L249 (= L251), A318 (= A320), F319 (= F321), H348 (= H350)

2vu1A Biosynthetic thiolase from z. Ramigera. Complex of with o-pantheteine- 11-pivalate. (see paper)
44% identity, 99% coverage: 6:394/394 of query aligns to 4:391/391 of 2vu1A

query
sites
2vu1A

I

I

F

V

V

I

V

A

S

S

A

A

V

A

R

R

S

T

A

A

I

V

G

G

S

S

F

F

G

N

G

G

S

A

L

F

K

A

D

N

V

T

P

P

P

A

I

H

Q

E

L

L

A

G

T

A

D

T

V

V

C

I

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A

A

A

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I

L

E

E

R

R

S

A

G

G

L

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A

A

P

A

E

G

H

E

I

V

G

N

H

E

A

V

V

I

M

L

G

G

H

Q

V

V

I

L

P

P

T

A

-

G

E

E

A

G

R

Q

D

N

A

P

Y

-

I

-

S

A

R

R

A

Q

V

A

A

A

I

M

N

K

A

A

G

G

L

V

T

P

K

Q

E

E

T

A

P

T

A

A

F

W

N

G

V

M

N

N

R

Q

L

L

C
|
C

G

G

S

S

G

G

L

L

Q

R

A

A

I

V

V

A

S

L

A

G

A

M

Q

Q

S

Q

L

I

M

A

L

T

G

G

D

D

A

A

G

S

A

I

L

V

A

A

G

G

V

M

E

E

S

S

M

M

S

S

R

M

G

A

A

P

Y

H

L

C

L

-

P

A

Q

H

A

L

R

R

W

G

G

G

A

V

R

K

M

M

G

G

D

D

M

F

Q

K

A

M

I

I

D

D

Y

T

M

M

L

I

G

K

V

D

-

G

L
|
L

Q

T

D

D

P

A

F

F

A

Y

G

G

F

Y

H
|
H

M

M

G

G

I

T

T

T

A

A

E

E

N

N

I

V

A

A

E

K

H

Q

Y

W

G

Q

I

L

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S

R

R

Q

D

A

E

Q

Q

D

D

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A

L

F

A

A

L

V

L

A

S

S

Q

Q

Q

N

R

K

A

A

A

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A

A

A

I

Q

A

K

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D

G

G

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R

F

F

A

K

G

D

Q

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I

I

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V

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P

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F

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I

I

V

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K

T

G

R

R

K

K

G

G

T

D

V

I

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F

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A

D

T

A

D

D

E

E

H

Y

V

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R

R

A

H

E

G

V

A

N

T

A

L

E

D

Q

S

L

M

S

A

R

K

M

L

K

R

P

P

A

A

F
|
F

K

D

K

K

D

E

G

G

S

T

V

V

T

T

A
|
A

G

G

N

N

A

A

S
|
S

G
|
G

L
|
L

N

N

D

D

G

G

A

A

G

A

A

A

L

A

I

L

M

L

A

M

T

S

G

E

Q

A

V

E

V

A

Q

S

E

R

Q

R

G

G

L

I

K

Q

P

P

M

L

A

G

R

R

L

I

V

V

G

S

Y

W

A

A

H

T

A

V

G

G

V

V

E

D

P

P

S

K

M

V

M

M

G

G

L

T

G

G

P

P

I

I

P

P

A

A

T

S

R

R

L

K

V

A

L

L

K

E

R

R

A

A

G

G

L

W

T

K

V

I

A

G

D

D

L

L

D

D

V

L

I

V

E

E

S

A

N

N

E

E

A
|
A

F
|
F

A

A

Q

Q

A

A

C

C

A

A

V

V

A

N

Q

K

E

D

L

L

G

G

F

W

D

D

P

P

Q

S

K

I

V

V

N

N

P

V

N

N

G

G

S

G

G

A

I

I

S

A

L

I

G

G

H
|
H

P

P

V

I

G

G

A

A

T

S

G

G

A

A

I

R

I

I

A

L

T

N

K

T

A

L

I

L

H

F

E

E

L

M

H

K

R

R

C

R

Q

G

G

A

R

R

Y

K

A

G

L

L

A

A

T

T

M

L

C
|
C

I

I

G
|
G

G

G

Q

M

G

G

I

V

A

A

V

M

L

C

F

I

E

E

R

S

V

L

active site: C88 (= C91), H347 (= H350), C377 (= C380), G379 (= G382)
binding pantothenyl-aminoethanol-11-pivalic acid: L147 (= L150), H155 (= H158), F234 (= F237), A242 (= A245), S246 (= S249), G247 (= G250), L248 (= L251), A317 (= A320), F318 (= F321), H347 (= H350)

5f38B X-ray crystal structure of a thiolase from escherichia coli at 1.8 a resolution (see paper)
48% identity, 99% coverage: 5:394/394 of query aligns to 3:391/391 of 5f38B

query
sites
5f38B

D

N

I

C

F

V

V

I

V

V

S

S

A

A

V

V

R

R

S

T

A

A

I

I

G

G

S

S

F

F

G

N

G

G

S

S

L

L

K

A

D

S

V

T

P

S

P

A

I

I

Q

D

L

L

A

G

T

A

D

T

V

V

C

I

R

K

A

A

I

I

E

E

R

R

S

A

G

K

L

I

A

D

P

S

E

Q

H

H

I

V

G

D

H

E

A

V

V

I

M

M

G

G

H

N

V

V

I

L

P

Q

T

A

E

-

A

G

R

L

D

G

A

Q

Y

N

I

P

S

A

R

R

A

Q

V

A

A

L

I

L

N

K

A

S

G

G

L

L

T

A

K

E

E

T

T

V

P

C

A

G

F

F

N

T

V

V

N

N

R

K

L

V

C
|
C

G

G

S

S

G

G

L

L

Q

K

A

S

I

V

V

A

S

L

A

A

Q

Q

S

A

L

I

M

Q

L

A

G

G

D

Q

A

A

G

Q

A

S

A

I

L

V

A

A

G

G