SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_010631186.1 NCBI__GCF_000246965.1:WP_010631186.1 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)
58% identity, 98% coverage: 1:389/395 of query aligns to 1:389/392 of P45359

query
sites
P45359

M

M

K

K

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E

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V77 (≠ D77) 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 (= C88) modified: Disulfide link with 378, In inhibited form
S96 (≠ I96) binding acetate
N153 (≠ S153) 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 (≠ AS 279:280) binding acetate
A286 (≠ Q286) 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 (= C378) modified: Disulfide link with 88, In inhibited form
A386 (= A386) binding acetate

4xl4A Crystal structure of thiolase from clostridium acetobutylicum in complex with coa (see paper)
57% identity, 98% coverage: 1:389/395 of query aligns to 1:389/392 of 4xl4A

query
sites
4xl4A

M

M

K

K

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E

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V

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I

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A

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S

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active site: C88 (= C88), H348 (= H348), S378 (≠ C378), G380 (= G380)
binding coenzyme a: L148 (= L148), H156 (= H156), R220 (= R220), L231 (= L231), A243 (≠ V243), S247 (= S247), F319 (= F319), H348 (= H348)

1ou6A Biosynthetic thiolase from zoogloea ramigera in complex with acetyl-o- pantetheine-11-pivalate
54% identity, 98% coverage: 4:391/395 of query aligns to 5:391/392 of 1ou6A

query
sites
1ou6A

V

I

V

V

I

I

V

A

G

S

A

A

R

R

T

T

P

A

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V

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G

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S

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F

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S

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A

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D

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active site: C89 (= C88), H348 (= H348), C378 (= C378), G380 (= G380)
binding pantothenyl-aminoethanol-acetate pivalic acid: L148 (= L148), H156 (= H156), M157 (= M157), F235 (= F235), A243 (≠ V243), S247 (= S247), A318 (= A318), F319 (= F319), H348 (= H348)

2vu2A Biosynthetic thiolase from z. Ramigera. Complex with s-pantetheine-11- pivalate. (see paper)
54% identity, 98% coverage: 4:391/395 of query aligns to 2:388/389 of 2vu2A

query
sites
2vu2A

V

I

V

V

I

I

V

A

G

S

A

A

R

R

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A

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F

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E

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R

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A

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A

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P

A

A

G

G

L

E

G

G

Q

Q

N

N

I

P

A

A

R

R

Q

Q

I

A

A

A

L

M

H

K

S

A

G

G

M

V

S

P

D

Q

S

E

S

A

T

T

A

A

V

W

G

G

I

M

N

N

M

Q

L

L

C
|
C

G

G

S

S

G

G

L

L

R

R

A

A

V

V

I

A

Q

L

A

G

V

M

Q

Q

T

Q

L

I

R

A

A

T

G

G

D

D

A

A

D

S

F

I

I

I

L

V

A

A

G

G

T

M

E

E

S

S

M

M

S

S

R

M

A

A

P

P

Y

H

L

C

L

-

T

A

D

H

Y

L

R

R

W

G

G

G

K

V

R

K

M

M

G

G

E

D

G

F

Q

K

I

M

E

I

D

D

S

T

M

M

I

I

M

K

D

D

A

G

L

L

T

T

D

D

A

A

F

F

S

Y

H

G

V

Y

H
|
H

M
|
M

G

G

V

T

T

T

A

A

E

E

N

N

I

V

A

A

E

K

Q

Q

W

W

H

Q

I

L

S

S

R

R

E

D

E

E

Q

Q

D

D

A

A

F

F

A

A

L

V

N

A

S

S

Q

Q

L

N

K

K

A

A

E

E

K

A

A

A

Q

Q

L

K

L

D

G

G

Y

R

F

F

D

K

E

D

E

E

I

I

V

V

P

P

V

F

E

I

V

V

T

K

V

G

K

R

K

K

K

G

K

D

S

I

E

T

V

V

R

D

Q

A

D

D

E

E

H

Y

P

I

R

R

H

H

G

G

M

A

T

T

L

L

E

D

T

S

L

M

S

A

G

K

L

L

R

R

P

P

V

A

F
|
F

R

D

K

K

N

E

G

G

T

T

V

V

T

T

V

A

G

G

N

N

A

A

S
|
S

G
|
G

L

L

N

N

D

D

G

G

A

A

M

A

L

A

V

L

L

L

T

M

T

S

R

E

Q

A

K

E

A

A

R

S

E

R

A

R

G

G

L

I

T

Q

V

P

L

L

A

G

S

R

I

I

R

V

S

S

Y

W

A

A

S

T

A

V

G

G

L

V

D

D

P

P

Q

K

I

V

M

M

G

G

Y

T

G

G

P

P

V

I

P

P

A

A

V

S

K

R

K

K

A

A

L

L

H

E

Q

R

A

A

N

G

L

W

D

K

I

I

G

G

A

D

I

L

D

D

L

L

A

V

E

E

I

A

N

N

E

E

A

A

F
|
F

A

A

Q

Q

S

A

I

C

A

A

V

V

I

N

R

K

D

D

L

L

K

G

L

W

D

D

P

P

D

S

K

I

V

V

N

N

V

V

S

N

G

G

A

A

I

I

A

A

L

I

G

G

H
|
H

P

P

V

I

G

G

A

A

S

S

G

G

A

A

R

R

I

I

L

L

C

N

T

T

L

L

Y

F

G

E

M

M

K

K

R

R

T

R

G

G

A

A

K

R

T

K

G

G

L

L

A

A

A

T

L

L

C
|
C

I

I

G
|
G

G

G

Q

M

G

G

T

V

A

A

V

M

I

C

V

I

N

E

N

S

active site: C86 (= C88), H345 (= H348), C375 (= C378), G377 (= G380)
binding (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-dimethylpropanoate: H153 (= H156), M154 (= M157), F232 (= F235), S244 (= S247), G245 (= G248), F316 (= F319), H345 (= H348)

1dm3A Acetylated biosynthetic thiolase from zoogloea ramigera in complex with acetyl-coa (see paper)
54% identity, 98% coverage: 4:391/395 of query aligns to 2:388/389 of 1dm3A

query
sites
1dm3A

V

I

V

V

I

I

V

A

G

S

A

A

R

R

T

T

P

A

V

V

G

G

S

S

F

F

G

N

G

G

A

A

L

F

S

A

G

N

V

T

S

P

A

A

V

H

A

E

L

L

G

G

T

A

A

T

A

V

A

I

R

S

E

A

A

V

I

L

R

E

R

R

S

A

G

G

V

V

P

A

A

A

H

G

H

E

I

V

D

N

E

E

A

V

V

I

I

L

G

G

N

Q

I

V

L

L

S

P

A

A

G

G

L

E

G

G

Q

Q

N

N

I

P

A

A

R

R

Q

Q

I

A

A

A

L

M

H

K

S

A

G

G

M

V

S

P

D

Q

S

E

S

A

T

T

A

A

V

W

G

G

I

M

N

N

M

Q

L

L

C
|
C

G

G

S

S

G

G

L

L

R

R

A

A

V

V

I

A

Q

L

A

G

V

M

Q

Q

T

Q

L

I

R

A

A

T

G

G

D

D

A

A

D

S

F

I

I

I

L

V

A

A

G

G

T

M

E

E

S

S

M

M

S

S

R

M

A

A

P

P

Y

H

L

C

L

-

T

A

D

H

Y

L

R

R

W

G

G

G

K

V

R

K

M

M

G

G

E

D

G

F

Q

K

I

M

E

I

D

D

S

T

M

M

I

I

M

K

D

D

A

G

L
|
L

T

T

D

D

A

A

F

F

S

Y

H

G

V

Y

H
|
H

M
|
M

G

G

V

T

T

T

A

A

E

E

N

N

I

V

A

A

E

K

Q

Q

W

W

H

Q

I

L

S

S

R

R

E

D

E

E

Q

Q

D

D

A

A

F

F

A

A

L

V

N

A

S

S

Q

Q

L

N

K

K

A

A

E

E

K

A

A

A

Q

Q

L

K

L

D

G

G

Y

R

F

F

D

K

E

D

E

E

I

I

V

V

P

P

V

F

E

I

V

V

T

K

V

G

K

R

K

K

K

G

K

D

S

I

E

T

V

V

R

D

Q

A

D

D

E

E

H

Y

P

I

R
|
R

H

H

G

G

M

A

T

T

L

L

E

D

T
x
S

L
x
M

S

A

G

K

L

L

R

R

P

P

V

A

F

F

R

D

K

K

N

E

G

G

T

T

V

V

T

T

V
x
A

G

G

N

N

A

A

S
|
S

G

G

L

L

N

N

D

D

G

G

A

A

M

A

L

A

V

L

L

L

T

M

T

S

R

E

Q

A

K

E

A

A

R

S

E

R

A

R

G

G

L

I

T

Q

V

P

L

L

A

G

S

R

I

I

R

V

S

S

Y

W

A

A

S

T

A

V

G

G

L

V

D

D

P

P

Q

K

I

V

M
|
M

G

G

Y

T

G

G

P

P

V

I

P

P

A

A

V

S

K

R

K

K

A

A

L

L

H

E

Q

R

A

A

N

G

L

W

D

K

I

I

G

G

A

D

I

L

D

D

L

L

A

V

E

E

I

A

N

N

E

E

A
|
A

F
|
F

A

A

Q

Q

S

A

I

C

A

A

V

V

I

N

R

K

D

D

L

L

K

G

L

W

D

D

P

P

D

S

K

I

V

V

N

N

V

V

S

N

G

G

A

A

I

I

A

A

L

I

G

G

H
|
H

P

P

V

I

G

G

A

A

S

S

G

G

A

A

R

R

I

I

L

L

C

N

T

T

L

L

Y

F

G

E

M

M

K

K

R

R

T

R

G

G

A

A

K

R

T

K

G

G

L

L

A

A

A

T

L

L

C
|
C

I

I

G
|
G

G

G

Q

M

G

G

T

V

A

A

V

M

I

C

V

I

N

E

N

S

active site: C86 (= C88), H345 (= H348), C375 (= C378), G377 (= G380)
binding acetyl coenzyme *a: C86 (= C88), L145 (= L148), H153 (= H156), M154 (= M157), R217 (= R220), S224 (≠ T227), M225 (≠ L228), A240 (≠ V243), S244 (= S247), M285 (= M288), A315 (= A318), F316 (= F319), H345 (= H348), C375 (= C378)

1dlvA Biosynthetic thiolase from zoogloea ramigera in complex with coa (see paper)
54% identity, 98% coverage: 4:391/395 of query aligns to 2:388/389 of 1dlvA

query
sites
1dlvA

V

I

V

V

I

I

V

A

G

S

A

A

R

R

T

T

P

A

V

V

G

G

S

S

F

F

G

N

G

G

A

A

L

F

S

A

G

N

V

T

S

P

A

A

V

H

A

E

L

L

G

G

T

A

A

T

A

V

A

I

R

S

E

A

A

V

I

L

R

E

R

R

S

A

G

G

V

V

P

A

A

A

H

G

H

E

I

V

D

N

E

E

A

V

V

I

I

L

G

G

N

Q

I

V

L

L

S

P

A

A

G

G

L

E

G

G

Q

Q

N

N

I

P

A

A

R

R

Q

Q

I

A

A

A

L

M

H

K

S

A

G

G

M

V

S

P

D

Q

S

E

S

A

T

T

A

A

V

W

G

G

I

M

N

N

M

Q

L

L

C
|
C

G

G

S

S

G

G

L

L

R

R

A

A

V

V

I

A

Q

L

A

G

V

M

Q

Q

T

Q

L

I

R

A

A

T

G

G

D

D

A

A

D

S

F

I

I

I

L

V

A

A

G

G

T

M

E

E

S

S

M

M

S

S

R

M

A

A

P

P

Y

H

L

C

L

-

T

A

D

H

Y

L

R

R

W

G

G

G

K

V

R

K

M

M

G

G

E

D

G

F

Q

K

I

M

E

I

D

D

S

T

M

M

I

I

M

K

D

D

A

G

L
|
L

T

T

D

D

A

A

F

F

S

Y

H

G

V

Y

H
|
H

M
|
M

G

G

V

T

T

T

A

A

E

E

N

N

I

V

A

A

E

K

Q

Q

W

W

H

Q

I

L

S

S

R

R

E

D

E

E

Q

Q

D

D

A

A

F

F

A

A

L

V

N

A

S

S

Q

Q

L

N

K

K

A

A

E

E

K

A

A

A

Q

Q

L

K

L

D

G

G

Y

R

F

F

D

K

E

D

E

E

I

I

V

V

P

P

V

F

E

I

V

V

T

K

V

G

K

R

K

K

K

G

K

D

S

I

E

T

V

V

R

D

Q

A

D

D

E

E

H

Y

P

I

R
|
R

H

H

G

G

M

A

T

T

L

L

E

D

T

S

L

M

S

A

G

K

L
|
L

R

R

P

P

V

A

F

F

R

D

K

K

N

E

G

G

T

T

V

V

T

T

V
x
A

G

G

N

N

A

A

S
|
S

G

G

L

L

N

N

D

D

G

G

A

A

M

A

L

A

V

L

L

L

T

M

T

S

R

E

Q

A

K

E

A

A

R

S

E

R

A

R

G

G

L

I

T

Q

V

P

L

L

A

G

S

R

I

I

R

V

S

S

Y

W

A

A

S

T

A

V

G

G

L

V

D

D

P

P

Q

K

I

V

M

M

G

G

Y

T

G

G

P

P

V

I

P

P

A

A

V

S

K

R

K

K

A

A

L

L

H

E

Q

R

A

A

N

G

L

W

D

K

I

I

G

G

A

D

I

L

D

D

L

L

A

V

E

E

I

A

N

N

E

E

A

A

F

F

A

A

Q

Q

S

A

I

C

A

A

V

V

I

N

R

K

D

D

L

L

K

G

L

W

D

D

P

P

D

S

K

I

V

V

N

N

V

V

S

N

G

G

A

A

I

I

A

A

L

I

G

G

H
|
H

P

P

V

I

G

G

A

A

S

S

G

G

A

A

R

R

I

I

L

L

C

N

T

T

L

L

Y

F

G

E

M

M

K

K

R

R

T

R

G

G

A

A

K

R

T

K

G

G

L

L

A

A

A

T

L

L

C
|
C

I

I

G
|
G

G

G

Q

M

G

G

T

V

A

A

V

M

I

C

V

I

N

E

N

S

active site: C86 (= C88), H345 (= H348), C375 (= C378), G377 (= G380)
binding coenzyme a: C86 (= C88), L145 (= L148), H153 (= H156), M154 (= M157), R217 (= R220), L228 (= L231), A240 (≠ V243), S244 (= S247), H345 (= H348)

2vu1A Biosynthetic thiolase from z. Ramigera. Complex of with o-pantheteine- 11-pivalate. (see paper)
54% identity, 98% coverage: 4:391/395 of query aligns to 4:390/391 of 2vu1A

query
sites
2vu1A

V

I

V

V

I

I

V

A

G

S

A

A

R

R

T

T

P

A

V

V

G

G

S

S

F

F

G

N

G

G

A

A

L

F

S

A

G

N

V

T

S

P

A

A

V

H

A

E

L

L

G

G

T

A

A

T

A

V

A

I

R

S

E

A

A

V

I

L

R

E

R

R

S

A

G

G

V

V

P

A

A

A

H

G

H

E

I

V

D

N

E

E

A

V

V

I

I

L

G

G

N

Q

I

V

L

L

S

P

A

A

G

G

L

E

G

G

Q

Q

N

N

I

P

A

A

R

R

Q

Q

I

A

A

A

L

M

H

K

S

A

G

G

M

V

S

P

D

Q

S

E

S

A

T

T

A

A

V

W

G

G

I

M

N

N

M

Q

L

L

C
|
C

G

G

S

S

G

G

L

L

R

R

A

A

V

V

I

A

Q

L

A

G

V

M

Q

Q

T

Q

L

I

R

A

A

T

G

G

D

D

A

A

D

S

F

I

I

I

L

V

A

A

G

G

T

M

E

E

S

S

M

M

S

S

R

M

A

A

P

P

Y

H

L

C

L

-

T

A

D

H

Y

L

R

R

W

G

G

G

K

V

R

K

M

M

G

G

E

D

G

F

Q

K

I

M

E

I

D

D

S

T

M

M

I

I

M

K

D

D

A

G

L

L

T

T

D

D

A

A

F

F

S

Y

H

G

V

Y

H
|
H

M

M

G

G

V

T

T

T

A

A

E

E

N

N

I

V

A

A

E

K

Q

Q

W

W

H

Q

I

L

S

S

R

R

E

D

E

E

Q

Q

D

D

A

A

F

F

A

A

L

V

N

A

S

S

Q

Q

L

N

K

K

A

A

E

E

K

A

A

A

Q

Q

L

K

L

D

G

G

Y

R

F

F

D

K

E

D

E

E

I

I

V

V

P

P

V

F

E

I

V

V

T

K

V

G

K

R

K

K

K

G

K

D

S

I

E

T

V

V

R

D

Q

A

D

D

E

E

H

Y

P

I

R

R

H

H

G

G

M

A

T

T

L

L

E

D

T

S

L

M

S

A

G

K

L

L

R

R

P

P

V

A

F
|
F

R

D

K

K

N

E

G

G

T

T

V

V

T

T

V

A

G

G

N

N

A

A

S
|
S

G

G

L

L

N

N

D

D

G

G

A

A

M

A

L

A

V

L

L

L

T

M

T

S

R

E

Q

A

K

E

A

A

R

S

E

R

A

R

G

G

L

I

T

Q

V

P

L

L

A

G

S

R

I

I

R

V

S

S

Y

W

A

A

S

T

A

V

G

G

L

V

D

D

P

P

Q

K

I

V

M

M

G

G

Y

T

G

G

P

P

V

I

P

P

A

A

V

S

K

R

K

K

A

A

L

L

H

E

Q

R

A

A

N

G

L

W

D

K

I

I

G

G

A

D

I

L

D

D

L

L

A

V

E

E

I

A

N

N

E

E

A
|
A

F
|
F

A

A

Q

Q

S

A

I

C

A

A

V

V

I

N

R

K

D

D

L

L

K

G

L

W

D

D

P

P

D

S

K

I

V

V

N

N

V

V

S

N

G

G

A

A

I

I

A

A

L

I

G

G

H
|
H

P

P

V

I

G

G

A

A

S

S

G

G

A

A

R

R

I

I

L

L

C

N

T

T

L

L

Y

F

G

E

M

M

K

K

R

R

T

R

G

G

A

A

K

R

T

K

G

G

L

L

A

A

A

T

L

L

C
|
C

I

I

G
|
G

G

G

Q

M

G

G

T

V

A

A

V

M

I

C

V

I

N

E

N

S

active site: C88 (= C88), H347 (= H348), C377 (= C378), G379 (= G380)
binding pantothenyl-aminoethanol-11-pivalic acid: H155 (= H156), F234 (= F235), S246 (= S247), A317 (= A318), F318 (= F319), H347 (= H348)

2wkuA Biosynthetic thiolase from z. Ramigera. The n316h mutant. (see paper)
54% identity, 98% coverage: 4:391/395 of query aligns to 2:388/389 of 2wkuA

query
sites
2wkuA

V

I

V

V

I

I

V

A

G
x
S

A
|
A

A

A

R

R

T

T

P

A

V

V

G

G

S

S

F

F

G

N

G

G

A

A

L

F

S

A

G

N

V

T

S

P

A

A

V

H

A

E

L

L

G

G

T

A

A

T

A

V

A

I

R

S

E

A

A

V

I

L

R

E

R
|
R

S

A

G

G

V

V

P

A

A

A

H

G

H

E

I

V

D

N

E

E

A

V

V

I

I

L

G

G

N

Q

I

V

L

L

S

P

A

A

G

G

L

E

G

G

Q

Q

N

N

I

P

A

A

R

R

Q

Q

I

A

A

A

L

M

H

K

S

A

G

G

M

V

S

P

D

Q

S

E

S

A

T

T

A

A

V

W

G

G

I

M

N

N

M

Q

L

L

C
|
C

G

G

S

S

G

G

L

L

R

R

A

A

V

V

I

A

Q

L

A

G

V

M

Q

Q

T

Q

L

I

R

A

A

T

G

G

D

D

A

A

D

S

F

I

I

I

L

V

A

A

G

G

T

M

E

E

S

S

M

M

S

S

R

M

A

A

P

P

Y

H

L

C

L

-

T

A

D

H

Y

L

R

R

W

G

G

G

K

V

R

K

M

M

G

G

E

D

G

F

Q

K

I

M

E

I

D

D

S

T

M

M

I

I

M

K

D

D

A

G

L

L

T

T

D

D

A

A

F

F

S

Y

H

G

V

Y

H

H

M

M

G

G

V

T

T

T

A

A

E

E

N

N

I

V

A

A

E

K

Q

Q

W

W

H

Q

I

L

S

S

R

R

E

D

E

E

Q

Q

D

D

A

A

F

F

A

A

L

V

N

A

S

S

Q

Q

L

N

K
|
K

A

A

E

E

K

A

A

A

Q

Q

L

K

L

D

G

G

Y

R

F

F

D

K

E
x
D

E

E

I

I

V

V

P

P

V

F

E

I

V

V

T

K

V

G

K

R

K

K

K

G

K

D

S

I

E

T

V

V

R

D

Q

A

D

D

E

E

H

Y

P

I

R

R

H

H

G

G

M

A

T

T

L

L

E

D

T

S

L

M

S

A

G

K

L

L

R

R

P

P

V

A

F

F

R

D

K

K

N

E

G

G

T

T

V

V

T

T

V

A

G

G

N

N

A

A

S

S

G

G

L

L

N

N

D

D

G

G

A

A

M

A

L

A

V

L

L

L

T

M

T

S

R

E

Q

A

K

E

A

A

R

S

E

R

A

R

G

G

L

I

T

Q

V

P

L

L

A

G

S

R

I

I

R

V

S

S

Y

W

A

A

S

T

A

V

G

G

L
x
V

D
|
D

P

P

Q

K

I

V

M

M

G

G

Y
x
T

G

G

P

P

V

I

P

P

A

A

V

S

K

R

K

K

A

A

L

L

H

E

Q

R

A

A

N

G

L

W

D

K

I

I

G

G

A

D

I

L

D

D

L

L

A

V

E

E

I

A

N

H

E

E

A

A

F

F

A

A

Q

Q

S

A

I

C

A

A

V

V

I

N

R

K

D

D

L

L

K

G

L

W

D

D

P
|
P

D
x
S

K

I

V
|
V

N

N

V
|
V

S

N

G

G

A

A

I

I

A

A

L

I

G

G

H
|
H

P

P

V

I

G

G

A

A

S

S

G

G

A

A

R

R

I

I

L

L

C

N

T

T

L

L

Y
x
F

G

E

M

M

K

K

R

R

T

R

G

G

A

A

K

R

T

K

G

G

L

L

A

A

A

T

L

L

C
|
C

I

I

G
|
G

G

G

Q

M

G

G

T

V

A

A

V

M

I

C

V

I

N

E

N

S

active site: C86 (= C88), H345 (= H348), C375 (= C378), G377 (= G380)
binding D-mannose: S6 (≠ G8), A7 (= A9), R38 (= R40), K182 (= K185), D194 (≠ E197), V280 (≠ L283), D281 (= D284), T287 (≠ Y290), P331 (= P334), S332 (≠ D335), V334 (= V337), V336 (= V339), F360 (≠ Y363)

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)
53% identity, 99% coverage: 1:392/395 of query aligns to 1:393/393 of P14611

query
sites
P14611

M

M

K

T

E

D

V

V

I

I

V

V

G

S

A

A

R

R

T

T

P

A

V

V

G

G

S

K

F

F

G

G

A

S

L

L

S

A

G

K

V

I

S

P

A

A

V

P

A

E

L

L

G

G

T

A

A

V

A

I

R

K

E

A

A

A

I

L

R

E

R

R

S

A

G

G

V

V

P

K

A

P

H

E

H

Q

I

V

D

S

E

E

A

V

V

I

I

M

G

G

N

Q

I

V

L

L

S

T

A

A

G

G

L

S

G

G

Q

Q

N

N

I

P

A

A

R

R

Q

Q

I

A

A

A

L

I

H

K

S

A

G

G

M

L

S

P

D

A

S

M

S

V

T

P

A

A

V

M

G

T

I

I

N

N

M

K

L

V

C
|
C

G

G

S

S

G

G

L

L

R

K

A

A

V

V

I

M

Q

L

A

A

V

A

Q

N

T

A

L

I

R

M

A

A

G

G

D

D

A

A

D

E

F

I

I

V

L

V

A

A

G

G

T

Q

E

E

S

N

M

M

S

S

R

A

A

A

P

P

Y

H

L

V

L

L

T

P

D

G

Y

S

R

R

W

D

G

G

K

F

R

R

M

M

G

G

E

D

G

A

Q

K

I

L

E

V

D

D

S

T

M

M

I

I

M

V

D

D

A

G

L

L

T

W

D

D

A

V

F

Y

S

N

H

Q

V

Y

H
|
H

M

M

G

G

V

I

T

T

A

A

E

E

N

N

I

V

A

A

E

K

Q

E

W

Y

H

G

I

I

S

T

R

R

E

E

E

A

Q

Q

D

D

A

E

F

F

A

A

L

V

N

G

S

S

Q

Q

L

N

K

K

A

A

E

E

K

A

A

A

Q

Q

L

K

L

A

G

G

Y

K

F

F

D

D

E

E

I

I

V

V

P

P

V

V

E

L

V

I

T

P

V

Q

K

R

K

K

K

G

K

D

S

P

-

V

E

A

V

F

R

K

Q

T

D

D

E

E

H
x
F

P

V

R
|
R

H

Q

G

G

M

A

T

T

L

L

E

D

T

S

L

M

S

S

G

G

L

L

R

K

P

P

V

A

F

F

R

D

K

K

N

A

G

G

T

T

V

V

T

T

V

A

G

A

N

N

A

A

S
|
S

G

G

L

L

N

N

D

D

G

G

A

A

M

A

L

V

V

V

L

V

T

M

T

S

R

A

Q

A

K

K

A

A

R

K

E

E

A

L

G

G

L

L

T

T

V

P

L

L

A

A

S

T

I

I

R

K

S

S

Y

Y

A

A

S

N

A

A

G

G

L

V

D

D

P

P

Q

K

I

V

M

M

G

G

Y

M

G

G

P

P

V

V

P

P

A

A

V

S

K

K

K

R

A

A

L

L

H

S

Q

R

A

A

N

E

L

W

D

T

I

P

G

Q

A

D

I

L

D

D

L

L

A

M

E

E

I

I

N

N

E

E

A

A

F

F

A

A

Q

Q

S

A

I

L

A

A

V

V

I

H

R

Q

D

Q

L

M

K

G

L

W

D

D

P

T

D

S

K

K

V

V

N

N

V

V

S

N

G

G

A

A

I

I

A

A

L

I

G

G

H
|
H

P

P

V

I

G

G

A

A

S

S

G

G

A

C

R

R

I

I

L

L

C

V

T

T

L

L

Y

H

G

E

M

M

K

K

R

R

T

R

G

D

A

A

K

K

T

K

G

G

L

L

A

A

A

S

L

L

C
|
C

I

I

G

G

Q

M

G

G

T

V

A

A

V

L

I

A

V

V

N

E

N

R

E

K

C88 (= C88) active site, Acyl-thioester intermediate; mutation to S: Almost complete loss of acetoacetyl-CoA thiolase activity.
H156 (= H156) mutation to A: Almost complete loss of acetoacetyl-CoA thiolase activity.
F219 (≠ H218) mutation to A: About 50% loss of acetoacetyl-CoA thiolase activity.; mutation to Y: 2-fold increase of acetoacetyl-CoA thiolase activity.
R221 (= R220) mutation to A: Almost complete loss of acetoacetyl-CoA thiolase activity.
S248 (= S247) mutation to A: About 40% loss of acetoacetyl-CoA thiolase activity.
H349 (= H348) mutation to A: Almost complete loss of acetoacetyl-CoA thiolase activity.
C379 (= C378) mutation to S: Almost complete loss of acetoacetyl-CoA thiolase activity.

1m1oA Crystal structure of biosynthetic thiolase, c89a mutant, complexed with acetoacetyl-coa (see paper)
54% identity, 98% coverage: 4:391/395 of query aligns to 3:389/390 of 1m1oA

query
sites
1m1oA

V

I

V

V

I

I

V

A

G

S

A

A

R

R

T

T

P

A

V

V

G

G

S

S

F

F

G

N

G

G

A

A

L

F

S

A

G

N

V

T

S

P

A

A

V

H

A

E

L

L

G

G

T

A

A

T

A

V

A

I

R

S

E

A

A

V

I

L

R

E

R

R

S

A

G

G

V

V

P

A

A

A

H

G

H

E

I

V

D

N

E

E

A

V

V

I

I

L

G

G

N

Q

I

V

L

L

S

P

A

A

G

G

L

E

G

G

Q

Q

N

N

I

P

A

A

R

R

Q

Q

I

A

A

A

L

M

H

K

S

A

G

G

M

V

S

P

D

Q

S

E

S

A

T

T

A

A

V

W

G

G

I

M

N

N

M

Q

L
|
L

C
x
A

G

G

S

S

G

G

L

L

R

R

A

A

V

V

I

A

Q

L

A

G

V

M

Q

Q

T

Q

L

I

R

A

A

T

G

G

D

D

A

A

D

S

F

I

I

I

L

V

A

A

G

G

T

M

E

E

S

S

M

M

S

S

R

M

A

A

P

P

Y

H

L

C

L

-

T

A

D

H

Y

L

R

R

W

G

G

G

K

V

R

K

M

M

G

G

E

D

G

F

Q

K

I

M

E

I

D

D

S

T

M

M

I

I

M

K

D

D

A

G

L
|
L

T

T

D

D

A

A

F

F

S

Y

H

G

V

Y

H
|
H

M
|
M

G

G

V

T

T

T

A

A

E

E

N

N

I

V

A

A

E

K

Q

Q

W

W

H

Q

I

L

S

S

R

R

E

D

E

E

Q

Q

D

D

A

A

F

F

A

A

L

V

N

A

S

S

Q

Q

L

N

K

K

A

A

E

E

K

A

A

A

Q

Q

L

K

L

D

G

G

Y

R

F

F

D

K

E

D

E

E

I

I

V

V

P

P

V

F

E

I

V

V

T

K

V

G

K

R

K

K

K

G

K

D

S

I

E

T

V

V

R

D

Q

A

D

D

E

E

H

Y

P

I

R
|
R

H

H

G

G

M

A

T

T

L

L

E

D

T
x
S

L
x
M

S

A

G

K

L

L

R

R

P

P

V

A

F

F

R

D

K

K

N

E

G

G

T

T

V

V

T

T

V
x
A

G
|
G

N

N

A

A

S
|
S

G

G

L

L

N

N

D

D

G

G

A

A

M

A

L

A

V

L

L

L

T

M

T

S

R

E

Q

A

K

E

A

A

R

S

E

R

A

R

G

G

L

I

T

Q

V

P

L

L

A

G

S

R

I

I

R

V

S

S

Y

W

A

A

S

T

A

V

G

G

L

V

D

D

P

P

Q

K

I

V

M

M

G

G

Y

T

G

G

P

P

V

I

P

P

A

A

V

S

K

R

K

K

A

A

L

L

H

E

Q

R

A

A

N

G

L

W

D

K

I

I

G

G

A

D

I

L

D

D

L

L

A

V

E

E

I

A

N

N

E

E

A
|
A

F
|
F

A

A

Q

Q

S

A

I

C

A

A

V

V

I

N

R

K

D

D

L

L

K

G

L

W

D

D

P

P

D

S

K

I

V

V

N

N

V

V

S

N

G

G

A

A

I

I

A

A

L

I

G

G

H
|
H

P

P

V

I

G

G

A

A

S

S

G

G

A

A

R

R

I

I

L

L

C

N

T

T

L

L

Y

F

G

E

M

M

K

K

R

R

T

R

G

G

A

A

K

R

T

K

G

G

L

L

A

A

A

T

L

L

C
|
C

I
|
I

G
|
G

G

G

Q

M

G

G

T

V

A

A

V

M

I

C

V

I

N

E

N

S

active site: A87 (≠ C88), H346 (= H348), C376 (= C378), G378 (= G380)
binding acetoacetyl-coenzyme a: L86 (= L87), A87 (≠ C88), L146 (= L148), H154 (= H156), M155 (= M157), R218 (= R220), S225 (≠ T227), M226 (≠ L228), A241 (≠ V243), G242 (= G244), S245 (= S247), A316 (= A318), F317 (= F319), H346 (= H348), I377 (= I379), G378 (= G380)

P07097 Acetyl-CoA acetyltransferase; Acetoacetyl-CoA thiolase; Beta-ketothiolase; EC 2.3.1.9 from Shinella zoogloeoides (Crabtreella saccharophila) (see 2 papers)
53% identity, 98% coverage: 5:391/395 of query aligns to 6:391/392 of P07097

query
sites
P07097

V

I

I

V

V

I

G

A

A

S

A

A

R

R

T

T

P

A

V

V

G

G

S

S

F

F

G

N

G

G

A

A

L

F

S

A

G

N

V

T

S

P

A

A

V

H

A

E

L

L

G

G

T

A

A

T

A

V

A

I

R

S

E

A

A

V

I

L

R

E

R

R

S

A

G

G

V

V

P

A

A

A

H

G

H

E

I

V

D

N

E

E

A

V

V

I

I

L

G

G

N

Q

I

V

L

L

S

P

A

A

G

G

L

E

G

G

Q
|
Q

N

N

I

P

A

A

R

R

Q

Q

I

A

A

A

L

M

H

K

S

A

G

G

M

V

S

P

D

Q

S

E

S

A

T

T

A

A

V

W

G

G

I

M

N

N

M

Q

L

L

C
|
C

G

G

S

S

G

G

L

L

R

R

A

A

V

V

I

A

Q

L

A

G

V

M

Q

Q

T

Q

L

I

R

A

A

T

G

G

D

D

A

A

D

S

F

I

I

I

L

V

A

A

G

G

T

M

E

E

S

S

M

M

S

S

R

M

A

A

P

P

Y

H

L

C

L

-

T

A

D

H

Y

L

R

A

W

G

G

G

K

V

R

K

M

M

G

G

E

D

G

F

Q

K

I

M

E

I

D

D

S

T

M

M

I

I

M

K

D

D

A

G

L

L

T

T

D

D

A

A

F

F

S

Y

H

G

V

Y

H

H

M

M

G

G

V

T

T

T

A

A

E

E

N

N

I

V

A

A

E

K

Q

Q

W

W

H

Q

I

L

S

S

R

R

E

D

E

E

Q

Q

D

D

A

A

F

F

A

A

L

V

N

A

S

S

Q

Q

L

N

K

K

A

A

E

E

K

A

A

A

Q

Q

L

K

L

D

G

G

Y

R

F

F

D

K

E

D

E

E

I

I

V

V

P

P

V

F

E

I

V

V

T

K

V

G

K

R

K

K

K

G

K

D

S

I

E

T

V

V

R

D

Q

A

D

D

E

E

H

Y

P

I

R

R

H

H

G

G

M

A

T

T

L

L

E

D

T

S

L

M

S

A

G

K

L

L

R

R

P

P

V

A

F

F

R

D

K

K

N

E

G

G

T

T

V

V

T

T

V

A

G

G

N

N

A

A

S

S

G

G

L

L

N

N

D

D

G

G

A

A

M

A

L

A

V

L

L

L

T

M

T

S

R

E

Q

A

K

E

A

A

R

S

E

R

A

R

G

G

L

I

T

Q

V

P

L

L

A

G

S

R

I

I

R

V

S

S

Y

W

A

A

S

T

A

V

G

G

L

V

D

D

P

P

Q

K

I

V

M

M

G

G

Y

T

G

G

P

P

V

I

P

P

A

A

V

S

K

R

K

K

A

A

L

L

H

E

Q

R

A

A

N

G

L

W

D

K

I

I

G

G

A

D

I

L

D

D

L

L

A

V

E

E

I

A

N

N

E

E

A

A

F

F

A

A

Q

Q

S

A

I

C

A

A

V

V

I

N

R

K

D

D

L

L

K

G

L

W

D

D

P

P

D

S

K

I

V

V

N

N

V

V

S

N

G

G

A

A

I

I

A

A

L

I

G

G

H

H

P

P

V

I

G

G

A

A

S

S

G

G

A

A

R

R

I

I

L

L

C

N

T

T

L

L

Y

F

G

E

M

M

K

K

R

R

T

R

G

G

A

A

K

R

T

K

G

G

L

L

A

A

A

T

L

L

C
|
C

I

I

G

G

Q

M

G

G

T

V

A

A

V

M

I

C

V

I

N

E

N

S

Q64 (= Q63) mutation to A: Slightly lower activity.
C89 (= C88) mutation to A: Loss of activity.
C378 (= C378) mutation to G: Loss of activity.

4o9cC Crystal structure of beta-ketothiolase (phaa) from ralstonia eutropha h16 (see paper)
53% identity, 99% coverage: 1:392/395 of query aligns to 1:393/393 of 4o9cC

query
sites
4o9cC

M

M

K

T

E

D

V

V

I

I

V

V

G

S

A

A

R

R

T

T

P

A

V

V

G

G

S

K

F

F

G

G

A

S

L

L

S

A

G

K

V

I

S

P

A

A

V

P

A

E

L

L

G

G

T

A

A

V

A

I

R

K

E

A

A

A

I

L

R

E

R

R

S

A

G

G

V

V

P

K

A

P

H

E

H

Q

I

V

D

S

E

E

A

V

V

I

I

M

G

G

N

Q

I

V

L

L

S

T

A

A

G

G

L

S

G

G

Q

Q

N

N

I

P

A

A

R

R

Q

Q

I

A

A

A

L

I

H

K

S

A

G

G

M

L

S

P

D

A

S

M

S

V

T

P

A

A

V

M

G

T

I

I

N

N

M

K

L

V

C
x
S

G

G

S

S

G

G

L

L

R

K

A

A

V

V

I

M

Q

L

A

A

V

A

Q

N

T

A

L

I

R

M

A

A

G

G

D

D

A

A

D

E

F

I

I

V

L

V

A

A

G

G

T

Q

E

E

S

N

M

M

S

S

R

A

A

A

P

P

Y

H

L

V

L

L

T

P

D

G

Y

S

R

R

W

D

G

G

K

F

R

R

M

M

G

G

E

D

G

A

Q

K

I

L

E

V

D

D

S

T

M

M

I

I

M

V

D

D

A

G

L
|
L

T

W

D

D

A

V

F

Y

S

N

H

Q

V

Y

H

H

M

M

G

G

V

I

T

T

A

A

E

E

N

N

I

V

A

A

E

K

Q

E

W

Y

H

G

I

I

S

T

R

R

E

E

E

A

Q

Q

D

D

A

E

F

F

A

A

L

V

N

G

S

S

Q

Q

L

N

K

K

A

A

E

E

K

A

A

A

Q

Q

L

K

L

A

G

G

Y

K

F

F

D

D

E

E

I

I

V

V

P

P

V

V

E

L

V

I

T

P

V

Q

K

R

K

K

-

G

K

D

K

P

S

V

E

A

V

F

R

K

Q

T

D

D

E

E

H

F

P

V

R
|
R

H

Q

G

G

M

A

T

T

L

L