SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing CCNA_00820 CCNA_00820 3-ketoacyl-CoA thiolase 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)

4ubvA Structure of the 3-ketoacyl-coa thiolase fada5 from m. Tuberculosis with an partially acetylated cysteine in complex with acetyl-coa and coa (see paper)
44% identity, 100% coverage: 1:390/390 of query aligns to 1:391/391 of 4ubvA

query
sites
4ubvA

M

M

G

G

E

Y

A

P

Y

V

I

I

V

V

A

E

A

A

A

T

R

R

T

S

A

P

G

I

G

G

R

K

K

R

G

N

G

G

R

W

V

L

S

S

G

G

W

L

H

H

P

A

A

T

D

E

L

L

A

L

G

G

E

A

V

V

L

Q

N

K

A

A

L

V

V

V

D

D

R

K

S

A

G

G

A

I

D

Q

P

S

A

G

L

L

-

H

-

A

-

G

-

D

I

V

E

E

D

Q

V

V

I

I

M

G

G

G

C

C

V

V

G

T

Q

Q

V

F

G

G

E

E

Q

Q

A

S

I

N

N

N

I

I

A

S

R

R

N

V

A

A

V

W

L

L

A

T

S

A

K

G

L

L

P

P

E

E

S

H

V

V

P

G

A

A

T

T

S

T

V

V

D

D

R

C

Q

Q

C
|
C

G

G

S

S

S

G

Q

Q

S

A

I

N

H

H

F

L

A

I

A

A

A

G

T

L

V

I

M

A

S

A

G

G

A

A

M

I

D

D

I

V

V

G

I

I

A

A

A

C

G

G

V

I

E

E

S

A

M

M

S

S

R

R

V

V

P

G

M
x
L

G

G

L

-

S

A

S

N

A

A

L

G

P

P

Y

D

K

R

N

S

G

-

F

-

G

-

T

L

Y

I

K

R

S

A

P

Q

R

S

M

W

E

D

E

I

R

D

Y

L

P

P

G

-

I

-

Q

-

F

-

S

N

Q
|
Q

F
|
F

A

E

G

A

A

A

E

E

M

R

L

I

A

A

K

K

K

R

Y

R

D

G

L

I

S

T

R

R

E

E

Q

D

L

V

D

D

A

V

F

F

A

G

L

L

A

E

S

S

H
x
Q

Q

R

R

R

A

A

M

Q

A

R

A

A

T

W

K

A

G

E

G

G

K

R

F

F

A

D

A

R

E

E

I

I

V

S

P

P

I

I

K

Q

V

A

T

P

L

V

-

L

-

D

-

E

-

Q

-

N

-

Q

P

P

D

T

G

G

S

E

V

R

E

R

T

L

H

V

D

F

A

R

D

D

E

Q

G

G

I

L

R
|
R

W

-

D

E

A
x
T

T

T

M

M

E

A

S

G

I

L

G

G

G

E

V
x
L

K

K

L

P

L

V

S

L

E

E

D

G

G

G

R

I

L

H

T

T

A
|
A

A
x
G

T

T

S

S

S
|
S

Q

Q

I
|
I

C

S

D

D

G

G

A

A

G

A

V

V

M

L

I

W

V

M

N

D

E

E

R

A

G

V

L

A

K

R

A

A

L

H

G

G

V

L

A

T

P

P

L

R

A

A

R

R

I

I

H

V

H

A

M

Q

T

A

V

L

I

V

G

G

H

A

D

E

P

P

V

Y

I

Y

M

H

L
|
L

E

D

A

G

P

P

I

V

P

Q

A

S

T

T

Q

A

K

K

A

V

L

L

E

E

R

K

A

A

G

G

M

M

K

K

I

I

D

G

D

D

I

I

D

D

L

I

Y

V

E

E

V

I

N

N

E

E

A
|
A

F

F

A

A

S

S

V

V

P

V

T

L

A

S

W

W

L

A

Q

R

V

V

T

H

G

E

G

P

D

D

P

M

D

D

K

R

L

V

N

N

V

V

N

N

G

G

A

A

I

I

A

A

L

L

G

G

H
|
H

P

P

L
x
V

G

G

G

C

S

T

G

G

A

S

K

R

L

L

M

I

T

T

L

A

V

L

H

H

A

E

L

L

K

E

D

R

R

T

G

D

A

Q

R

S

Y

L

G

A

L

L

Q

I

T

T

M

M

C
|
C

E

A

G
|
G

G

G

G

A

L

L

A

S

N

T

V

G

T

T

I

I

V

I

E

E

R

R

L

I

active site: C93 (= C89), H347 (= H346), C377 (= C376), G379 (= G378)
binding acetyl coenzyme *a: C93 (= C89), L128 (≠ M124), Q151 (= Q155), F152 (= F156), R221 (= R219), T223 (≠ A222), L231 (≠ V230), A242 (= A241), G243 (≠ A242), S246 (= S245), I248 (= I247), L288 (= L287), A317 (= A316), H347 (= H346), V349 (≠ L348)
binding coenzyme a: L128 (≠ M124), Q151 (= Q155), F152 (= F156), Q177 (≠ H181), R221 (= R219), T223 (≠ A222), L231 (≠ V230), A242 (= A241), I248 (= I247)

I6XHI4 Steroid 3-ketoacyl-CoA thiolase; Acetyl-CoA acetyltransferase FadA5; Beta-ketoacyl-CoA thiolase; EC 2.3.1.16 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
44% identity, 100% coverage: 1:390/390 of query aligns to 1:391/391 of I6XHI4

query
sites
I6XHI4

M

M

G

G

E

Y

A

P

Y

V

I

I

V

V

A

E

A

A

A

T

R

R

T

S

A

P

G

I

G

G

R

K

K

R

G

N

G

G

R

W

V

L

S

S

G

G

W

L

H

H

P

A

A

T

D

E

L

L

A

L

G

G

E

A

V

V

L

Q

N

K

A

A

L

V

V

V

D

D

R

K

S

A

G

G

A

I

D

Q

P

S

A

G

L

L

-

H

-

A

-

G

-

D

I

V

E

E

D

Q

V

V

I

I

M

G

G

G

C

C

V

V

G

T

Q

Q

V

F

G

G

E

E

Q

Q

A

S

I

N

N

N

I

I

A

S

R

R

N

V

A

A

V

W

L

L

A

T

S

A

K

G

L

L

P

P

E

E

S

H

V

V

P

G

A

A

T

T

S

T

V

V

D

D

R

C

Q

Q

C

C

G

G

S

S

S

G

Q

Q

S

A

I

N

H

H

F

L

A

I

A

A

A

G

T

L

V

I

M

A

S

A

G

G

A

A

M

I

D

D

I

V

V

G

I

I

A

A

A

C

G

G

V

I

E

E

S

A

M

M

S

S

R

R

V

V

P

G

M

L

G

G

L

-

S

A

S

N

A

A

L

G

P

P

Y

D

K

R

N

S

G

-

F

-

G

-

T

L

Y

I

K

R

S

A

P

Q

R

S

M

W

E

D

E

I

R

D

Y

L

P

P

G

-

I

-

Q

-

F

-

S

N

Q
|
Q

F

F

A

E

G

A

A

A

E

E

M

R

L

I

A

A

K

K

K

R

Y

R

D

G

L

I

S

T

R

R

E

E

Q

D

L

V

D

D

A

V

F

F

A

G

L

L

A

E

S

S

H

Q

Q

R

R

R

A

A

M

Q

A

R

A

A

T

W

K

A

G

E

G

G

K

R

F

F

A

D

A

R

E

E

I

I

V

S

P

P

I

I

K

Q

V

A

T

P

L

V

-

L

-

D

-

E

-

Q

-

N

-

Q

P

P

D

T

G

G

S

E

V

R

E

R

T

L

H

V

D

F

A

R

D

D

E

Q

G

G

I

L

R
|
R

W

-

D
x
E

A
x
T

T

T

M

M

E

A

S

G

I

L

G

G

G

E

V

L

K

K

L

P

L

V

S

L

E

E

D

G

G

G

R

I

L

H

T

T

A

A

A

G

T

T

S

S

S
|
S

Q

Q

I

I

C

S

D

D

G

G

A

A

G

A

V

V

M

L

I

W

V

M

N

D

E

E

R

A

G

V

L

A

K

R

A

A

L

H

G

G

V

L

A

T

P

P

L

R

A

A

R

R

I

I

H

V

H

A

M

Q

T

A

V

L

I

V

G

G

H

A

D

E

P

P

V

Y

I

Y

M

H

L

L

E

D

A

G

P

P

I

V

P

Q

A

S

T

T

Q

A

K

K

A

V

L

L

E

E

R

K

A

A

G

G

M

M

K

K

I

I

D

G

D

D

I

I

D

D

L

I

Y

V

E

E

V

I

N

N

E

E

A

A

F

F

A

A

S

S

V

V

P

V

T

L

A

S

W

W

L

A

Q

R

V

V

T

H

G

E

G

P

D

D

P

M

D

D

K

R

L

V

N

N

V

V

N

N

G

G

A

A

I

I

A

A

L

L

G

G

H

H

P

P

L

V

G

G

G

C

S

T

G

G

A

S

K

R

L

L

M

I

T

T

L

A

V

L

H

H

A

E

L

L

K

E

D

R

R

T

G

D

A

Q

R

S

Y

L

G

A

L

L

Q

I

T

T

M

M

C

C

E

A

G
|
G

G

G

G

A

L

L

A

S

N

T

V

G

T

T

I

I

V

I

E

E

R

R

L

I

Q151 (= Q155) binding
R-ET 221:223 (≠ RWDA 219:222) binding
S246 (= S245) binding
G379 (= G378) binding

4ubtA Structure of the c93s variant of the 3-ketoacyl-coa thiolase fada5 from m. Tuberculosis in complex with a steroid and coa. (see paper)
43% identity, 100% coverage: 1:390/390 of query aligns to 6:396/396 of 4ubtA

query
sites
4ubtA

M

M

G

G

E

Y

A

P

Y

V

I

I

V

V

A

E

A

A

A

T

R

R

T

S

A

P

G

I

G

G

R

K

K

R

G

N

G

G

R

W

V

L

S

S

G

G

W

L

H

H

P

A

A

T

D

E

L

L

A

L

G

G

E

A

V

V

L

Q

N

K

A

A

L

V

V

V

D

D

R

K

S

A

G

G

A

I

D

Q

P

S

A

G

L

L

-

H

-

A

-

G

-

D

I

V

E

E

D

Q

V

V

I

I

M

G

G

G

C

C

V

V

G

T

Q

Q

V

F

G

G

E

E

Q

Q

A

S

I

N

N

N

I

I

A

S

R

R

N

V

A

A

V

W

L

L

A

T

S

A

K

G

L

L

P

P

E

E

S

H

V

V

P

G

A

A

T

T

S

T

V

V

D

D

R

C

Q
|
Q

C
x
S

G

G

S

S

S

G

Q

Q

S

A

I

N

H

H

F

L

A

I

A

A

A

G

T

L

V

I

M

A

S

A

G

G

A

A

M

I

D

D

I

V

V

G

I

I

A

A

A

C

G

G

V

I

E

E

S

A

M

M

S

S

R

R

V

V

P

G

M
x
L

G

G

L

-

S

A

S

N

A

A

L

G

P

P

Y

D

K
x
R

N

S

G

-

F

-

G

-

T

L

Y

I

K

R

S

A

P

Q

R

S

M

W

E

D

E

I

R

D

Y

L

P

P

G

-

I

-

Q

-

F

-

S
x
N

Q
|
Q

F
|
F

A

E

G

A

A

A

E

E

M

R

L

I

A

A

K

K

K

R

Y

R

D

G

L

I

S

T

R

R

E

E

Q

D

L

V

D

D

A

V

F

F

A

G

L

L

A

E

S

S

H

Q

Q

R

R

R

A

A

M

Q

A

R

A

A

T

W

K

A

G

E

G

G

K

R

F

F

A

D

A

R

E

E

I

I

V

S

P

P

I

I

K

Q

V

A

T

P

L

V

-

L

-

D

-

E

-

Q

-

N

-

Q

P

P

D

T

G

G

S

E

V

R

E

R

T

L

H

V

D

F

A

R

D

D

E

Q

G

G

I

L

R
|
R

W

-

D

E

A
x
T

T

T

M

M

E

A

S

G

I

L

G

G

G

E

V
x
L

K

K

L

P

L
x
V

S

L

E

E

D

G

G

G

R

I

L

H

T

T

A
|
A

A

G

T

T

S
|
S

Q

Q

I
|
I

C

S

D

D

G

G

A

A

G

A

V

V

M

L

I

W

V

M

N

D

E

E

R

A

G

V

L

A

K

R

A

A

L

H

G

G

V

L

A

T

P

P

L

R

A

A

R

R

I

I

H

V

H

A

M

Q

T

A

V

L

I

V

G

G

H

A

D

E

P

P

V

Y

I

Y

M
x
H

L

L

E

D

A

G

P

P

I

V

P

Q

A

S

T

T

Q

A

K

K

A

V

L

L

E

E

R

K

A

A

G

G

M

M

K

K

I

I

D

G

D

D

I

I

D

D

L

I

Y

V

E

E

V

I

N

N

E

E

A

A

F
|
F

A

A

S

S

V

V

P

V

T

L

A

S

W

W

L

A

Q

R

V

V

T

H

G

E

G

P

D

D

P

M

D

D

K

R

L

V

N

N

V

V

N

N

G

G

A

A

I

I

A

A

L

L

G

G

H
|
H

P

P

L
x
V

G

G

G

C

S

T

G

G

A

S

K

R

L

L

M

I

T

T

L

A

V

L

H

H

A

E

L

L

K

E

D

R

R

T

G

D

A

Q

R

S

Y

L

G

A

L

L

Q

I

T

T

M

M

C
|
C

E
x
A

G
|
G

G

G

G

A

L

L

A

S

N

T

V

G

T

T

I

I

V

I

E

E

R

R

L

I

active site: S98 (≠ C89), H352 (= H346), C382 (= C376), G384 (= G378)
binding (2S)-2-[(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]propanoic acid (non-preferred name): Q97 (= Q88), S98 (≠ C89), L133 (≠ M124), R141 (≠ K133), N155 (≠ S154), Q156 (= Q155), H292 (≠ M286), V354 (≠ L348), A383 (≠ E377), G384 (= G378)
binding coenzyme a: L133 (≠ M124), Q156 (= Q155), F157 (= F156), R226 (= R219), T228 (≠ A222), L236 (≠ V230), V239 (≠ L233), A247 (= A241), S250 (= S244), S251 (= S245), I253 (= I247), F323 (= F317), H352 (= H346), V354 (≠ L348)

2d3tC Fatty acid beta-oxidation multienzyme complex from pseudomonas fragi, form v (see paper)
42% identity, 99% coverage: 3:390/390 of query aligns to 6:390/390 of 2d3tC

query
sites
2d3tC

E

D

A

V

Y

V

I

I

V

V

A

D

A

F

A

G

R

R

T

T

A

P

G

M

G

G

R

R

-

S

K

K

G

G

R

M

V

H

S

R

G

N

W

T

H

R

P

A

A

E

D

D

L

M

A

S

G

A

E

H

V

L

L

I

N

S

A

K

L

V

V

L

D

E

R

R

-

N

S

S

G

K

A

V

D

D

P

P

A

G

L

E

I

V

E

E

D

D

V

V

I

I

M

W

G

G

C

C

V

V

G

N

Q

Q

V

T

G

L

E

E

Q

Q

A

G

I

W

N

N

I

I

A

A

R

R

N

M

A

A

V

S

L

L

A

M

S

T

K

Q

L

I

P

P

E

H

S

T

V

S

P

A

A

A

T

Q

S

T

V

V

D

S

R

R

Q

L

C
|
C

G

G

S

S

Q

M

Q

S

S

A

I

L

H

H

F

T

A

A

A

Q

T

A

V

I

M

M

S

T

G

G

A

N

M

G

D

D

I

V

V

F

I

V

A

V

A

G

G

G

V

V

E

E

S

H

M

M

S

G

R

H

V

V

P

S

M
|
M

G

M

L

-

S

-

A

-

L

-

P

-

Y

-

K

-

N

-

G

-

F

H

G

G

T

V

Y

D

K

P

S

N

P

P

R

H

M

M

E

S

E

L

R

Y

Y

A

P

A

G

K

I

A

Q

S

F

G

S

M

Q
x
M

F

G

A

L

G

T

A

A

E

E

M

M

L

L

A

G

K

K

K

M

Y

H

D

G

L

I

S

S

R

R

E

E

Q

Q

L

Q

D

D

A

A

F

F

A

A

L

V

A

R

S

S

H
|
H

Q

Q

R

L

A

A

M

H

A

K

A

A

T

T

K

V

G

E

G

G

K

K

F

F

A

K

A

D

E

E

I

I

V

I

P

P

I

M

K

Q

V

G

T

Y

L

D

P

E

D

N

G

G

S

F

V

L

E

K

T

I

H

F

D

D

A

Y

D

D

E

E

G

T

I

I

R
|
R

W

P

D

D

A

T

T

T

M

L

E

E

S

S

I
x
L

G

A

V
x
L

K

K

-

P

-

A

L

F

L

N

S

P

E

K

D

G

G

G

R

T

L

V

T

T

A
|
A

A
x
G

T

T

S

S

S
|
S

Q

Q

I
|
I

C

T

D

D

G

G

A

A

A

S

G

C

V

M

M

I

I

V

V

M

N

S

E

A

R

Q

G

R

L

A

K

K

A

D

L

L

G

G

V

L

A

E

P

P

L

L

A

A

R

V

I

I

H

R

H

S

M

M

T

A

V

V

I

A

G

G

H

V

D

D

P

P

V

A

I

I

M
|
M

L

G

E

Y

A

G

P

P

I

V

P

P

A

A

T

T

Q

Q

K

K

A

A

L

L

E

K

R

R

A

A

G

G

M

L

K

N

I

M

D

A

D

D

I

I

D

D

L

F

Y

I

E

E

V

L

N

N

E

E

A
|
A

F
|
F

A

A

-

A

-

Q

S

A

V

L

P

P

T

V

A

L

W

K

-

D

L

L

Q

K

V

V

T

L

G

D

G

K

D

M

P

N

D

E

K

K

L

V

N

N

V

L

N

H

G

G

A

A

I

I

A

A

L

L

G

G

H
|
H

P

P

L

F

G

G

G

C

S

S

G

G

A

A

K

R

L

I

M

S

T

G

T

T

L

L

V

L

H

N

A

V

L

M

K

K

D

Q

R

N

G

G

A

G

R

T

Y

F

G

G

L

L

Q

S

T

T

M

M

C
|
C

E

I

G
|
G

G

L

G

G

L

Q

A

G

N

I

V

A

T

T

I

V

V

F

E

E

R

R

L

V

active site: C94 (= C89), H346 (= H346), C376 (= C376), G378 (= G378)
binding acetyl coenzyme *a: C94 (= C89), M129 (= M124), M150 (≠ Q155), H176 (= H181), R214 (= R219), L222 (≠ I227), L225 (≠ V230), A238 (= A241), G239 (≠ A242), S242 (= S245), I244 (= I247), M283 (= M286), A313 (= A316), F314 (= F317), H346 (= H346), C376 (= C376)

7o4tC Structure of mycobacterium tuberculosis beta-oxidation trifunctional enzyme with coenzyme a bound at the hydratase, thiolase active sites and possible additional binding site (coa(ech/had)) (see paper)
41% identity, 99% coverage: 3:390/390 of query aligns to 3:402/402 of 7o4tC

query
sites
7o4tC

E

E

A

A

Y

F

I

I

V

Y

A

E

A

A

A

I

R

R

T

T

A

P

G

R

G

G

R

K

-

Q

K

K

G

N

G

G

R

S

V

L

S

H

G

E

W

V

H

K

P

P

A

L

D

S

L

L

A

V

G

V

E

G

V

L

L

I

N

D

A

E

L

L

V

R

D

K

R

R

S

H

-

P

G

D

A

L

D

D

P

E

A

N

L

L

I

I

E

S

D

D

V

V

I

I

M

L

G

G

C

C

V

V

G

S

Q

P

V

V

G

G

E

D

Q

Q

A

G

I

G

N

D

I

I

A

A

R

R

N

A

A

A

V

V

L

L

A

A

S

S

K

G

L

M

P

P

E

V

S

T

V

S

P

G

A

G

T

V

S

Q

V

L

D

N

R

R

Q

F

C
|
C

G

A

S

S

S

G

Q

L

Q

E

S

A

I

V

H

N

F

T

A

A

A

Q

T

K

V

V

M

R

S

S

G

G

A

W

M

D

D

D

I

L

V

V

I

L

A

A

A

G

G

G

V

V

E

E

S

S

M

M

S

S

R

R

V

V

P

P

M
|
M

G

G

L

-

S

-

A

-

L

-

P

-

Y

-

K

S

N

D

G

G

F

G

G

A

T

M

Y

G

K

L

S

D

P

P

R

-

M

-

E

A

E

T

R

N

Y

Y

P

D

G

V

I

M

Q

F

F

V

S

P

Q
|
Q

F

S

A

I

G

G

A

A

E

D

M

L

L

I

A

A

K

T

K

I

Y

E

D

G

L

F

S

S

R

R

E

E

Q

D

L

V

D

D

A

A

F

Y

A

A

L

L

A

R

S

S

H

Q

Q

Q

R

K

A

A

M

A

A

E

A

A

T

W

K

S

G

G

K

Y

F

F

A

A

A

K

E

S

I

V

V

V

P

P

I

V

K

R

V

-

T

-

L

-

P

D

D

Q

G

N

S

G

V

L

E

L

T

I

H

L

D

D

A

H

D

D

E

E

G

H

I

M

R
|
R

W

P

D

D

A
x
T

T

T

M

K

E

E

S

G

I
x
L

G

A

G

K

V
x
L

K

K

L

P

L
x
A

S
x
F

E

E

-

G

-

L

-

A

-

L

-

G

-

F

-

D

D

D

G

V

R

A

L

L

-

Q

-

K

-

Y

-
x
H

-
x
W

-

V

-

E

-

K

-

I

-

N

-

H

-

V

-

H

T
|
T

A
x
G

T

N

S
|
S

Q

G

I
|
I

C

V

D

D

G

G

A

A

G

L

V

V

M

M

I

I

V

G

N

S

E

A

R

A

G

A

L

G

K

K

A

L

L

Q

G

G

V

L

A

T

P

P

L

R

A

A

R

R

I

I

H

V

H

A

M

T

T

A

V

T

I

S

G

G

H

A

D

D

P

P

V

V

I

I

M

M

L

L

E

T

A

G

P

P

I

T

P

P

A

A

T

T

Q

R

K

K

A

V

L

L

E

D

R

R

A

A

G

G

M

L

K

T

I

V

D

D

I

I

D

D

L

L

Y

F

E

E

V

L

N

N

E

E

A

A

F
|
F

A

A

S

S

V

V

P

V

T

L

A

K

W

F

L

Q

Q

K

V

D

T

L

G

N

G

I

D

P

P

D

D

E

K

K

L

L

N

N

V

V

N

N

G

G

A

A

I

I

A

A

L

M

G

G

H
|
H

P

P

L

L

G

G

G

A

S

T

G

G

A

A

K

M

L

I

M

L

T

G

T

T

L

M

V

V

H

D

A

E

L

L

K

E

D

R

R

R

G

N

A

A

R

R

Y

R

G

A

L

L

Q

I

T

T

M

L

C

C

E

I

G

G

L

M

A

G

N

V

V

A

T

T

I

I

V

I

E

E

R

R

L

V

binding coenzyme a: C91 (= C89), M126 (= M124), Q148 (= Q155), R209 (= R219), T212 (≠ A222), L217 (≠ I227), L220 (≠ V230), A223 (≠ L233), F224 (≠ S234), T252 (= T240), G253 (≠ A241), G254 (≠ A242), S256 (= S244), S257 (= S245), I259 (= I247), F329 (= F317), H358 (= H346)
binding 3'-phosphate-adenosine-5'-diphosphate: H242 (vs. gap), W243 (vs. gap)

4b3jC Crystal structure of mycobacterium tuberculosis fatty acid beta-oxidation complex with coenzymea bound at the hydratase and thiolase active sites (see paper)
41% identity, 99% coverage: 3:390/390 of query aligns to 3:402/402 of 4b3jC

query
sites
4b3jC

E

E

A

A

Y

F

I

I

V

Y

A

E

A

A

A

I

R

R

T

T

A

P

G

R

G

G

R

K

-

Q

K

K

G

N

G

G

R

S

V

L

S

H

G

E

W

V

H

K

P

P

A

L

D

S

L

L

A

V

G

V

E

G

V

L

L

I

N

D

A

E

L

L

V

R

D

K

R

R

S

H

-

P

G

D

A

L

D

D

P

E

A

N

L

L

I

I

E

S

D

D

V

V

I

I

M

L

G

G

C

C

V

V

G

S

Q

P

V

V

G

G

E

D

Q

Q

A

G

I

G

N

D

I

I

A

A

R

R

N

A

A

A

V

V

L

L

A

A

S

S

K

G

L

M

P

P

E

V

S

T

V

S

P

G

A

G

T

V

S

Q

V

L

D

N

R

R

Q

F

C
|
C

G

A

S

S

S

G

Q

L

Q

E

S

A

I

V

H

N

F

T

A

A

A

Q

T

K

V

V

M

R

S

S

G

G

A

W

M

D

D

D

I

L

V

V

I

L

A

A

A

G

G

G

V

V

E

E

S

S

M

M

S

S

R

R

V

V

P

P

M
|
M

G

G

L

-

S

-

A

-

L

-

P

-

Y

-

K

S

N

D

G

G

F

G

G

A

T

M

Y

G

K

L

S

D

P

P

R

-

M

-

E

A

E

T

R

N

Y

Y

P

D

G

V

I

M

Q

F

F

V

S

P

Q
|
Q

F

S

A

I

G

G

A

A

E

D

M

L

L

I

A

A

K

T

K

I

Y

E

D

G

L

F

S

S

R

R

E

E

Q

D

L

V

D

D

A

A

F

Y

A

A

L

L

A

R

S

S

H

Q

Q

Q

R

K

A

A

M

A

A

E

A

A

T

W

K

S

G

G

K

Y

F

F

A

A

A

K

E

S

I

V

V

V

P

P

I

V

K

R

V

-

T

-

L

-

P

D

D

Q

G

N

S

G

V

L

E

L

T

I

H

L

D

D

A

H

D

D

E

E

G

H

I

M

R
|
R

W

P

D

D

A
x
T

T

T

M

K

E

E

S

G

I
x
L

G

A

G

K

V
x
L

K

K

L

P

L

A

S
x
F

E

E

-

G

-

L

-

A

-

L

-

G

-

F

-

D

D

D

G

V

R

A

L

L

-

Q

-

K

-

Y

-
x
H

-
x
W

-

V

-

E

-

K

-

I

-

N

-

H

-

V

-

H

T
|
T

A
x
G

T

N

S
|
S

Q

G

I
|
I

C

V

D

D

G

G

A

A

G

L

V

V

M

M

I

I

V

G

N

S

E

A

R

A

G

A

L

G

K

K

A

L

L

Q

G

G

V

L

A

T

P

P

L

R

A

A

R

R

I

I

H

V

H

A

M

T

T

A

V

T

I

S

G

G

H

A

D

D

P

P

V

V

I

I

M

M

L

L

E

T

A

G

P

P

I

T

P

P

A

A

T

T

Q

R

K

K

A

V

L

L

E

D

R

R

A

A

G

G

M

L

K

T

I

V

D

D

I

I

D

D

L

L

Y

F

E

E

V

L

N

N

E

E

A

A

F
|
F

A

A

S

S

V

V

P

V

T

L

A

K

W

F

L

Q

Q

K

V

D

T

L

G

N

G

I

D

P

P

D

D

E

K

K

L

L

N

N

V

V

N

N

G

G

A

A

I

I

A

A

L

M

G

G

H
|
H

P

P

L
|
L

G

G

G

A

S

T

G

G

A

A

K

M

L

I

M

L

T

G

T

T

L

M

V

V

H

D

A

E

L

L

K

E

D

R

R

R

G

N

A

A

R

R

Y

R

G

A

L

L

Q

I

T

T

M

L

C
|
C

E

I

G
|
G

G

G

L

M

A

G

N

V

V

A

T

T

I

I

V

I

E

E

R

R

L

V

active site: C91 (= C89), H358 (= H346), C388 (= C376), G390 (= G378)
binding adenosine-5'-diphosphate: H242 (vs. gap), W243 (vs. gap)
binding coenzyme a: C91 (= C89), M126 (= M124), Q148 (= Q155), R209 (= R219), T212 (≠ A222), L217 (≠ I227), L220 (≠ V230), F224 (≠ S234), T252 (= T240), G253 (≠ A241), G254 (≠ A242), S256 (= S244), S257 (= S245), I259 (= I247), F329 (= F317), H358 (= H346), L360 (= L348)

4b3iD Crystal structure of mycobacterium tuberculosis fatty acid beta-oxidation complex with coenzymea bound at the hydratase active sites (see paper)
41% identity, 99% coverage: 3:390/390 of query aligns to 4:403/403 of 4b3iD

query
sites
4b3iD

E

E

A

A

Y

F

I

I

V

Y

A

E

A

A

A

I

R

R

T

T

A

P

G

R

G

G

R

K

-

Q

K

K

G

N

G

G

R

S

V

L

S

H

G

E

W

V

H

K

P

P

A

L

D

S

L

L

A

V

G

V

E

G

V

L

L

I

N

D

A

E

L

L

V

R

D

K

R

R

S

H

-

P

G

D

A

L

D

D

P

E

A

N

L

L

I

I

E

S

D

D

V

V

I

I

M

L

G

G

C

C

V

V

G

S

Q

P

V

V

G

G

E

D

Q

Q

A

G

I

G

N

D

I

I

A

A

R

R

N

A

A

A

V

V

L

L

A

A

S

S

K

G

L

M

P

P

E

V

S

T

V

S

P

G

A

G

T

V

S

Q

V

L

D

N

R

R

Q

F

C
|
C

G

A

S

S

S

G

Q

L

Q

E

S

A

I

V

H

N

F

T

A

A

A

Q

T

K

V

V

M

R

S

S

G

G

A

W

M

D

D

D

I

L

V

V

I

L

A

A

A

G

G

G

V

V

E

E

S

S

M

M

S

S

R

R

V

V

P

P

M

M

G

G

L

-

S

-

A

-

L

-

P

-

Y

-

K

S

N

D

G

G

F

G

G

A

T

M

Y

G

K

L

S

D

P

P

R

-

M

-

E

A

E

T

R

N

Y

Y

P

D

G

V

I

M

Q

F

F

V

S

P

Q

Q

F

S

A

I

G

G

A

A

E

D

M

L

L

I

A

A

K

T

K

I

Y

E

D

G

L

F

S

S

R

R

E

E

Q

D

L

V

D

D

A

A

F

Y

A

A

L

L

A

R

S

S

H

Q

Q

Q

R

K

A

A

M

A

A

E

A

A

T

W

K

S

G

G

K

Y

F

F

A

A

A

K

E

S

I

V

V

V

P

P

I

V

K

R

V

-

T

-

L

-

P

D

D

Q

G

N

S

G

V

L

E

L

T

I

H

L

D

D

A

H

D

D

E

E

G

H

I

M

R

R

W

P

D

D

A

T

T

T

M

K

E

E

S

G

I

L

G

A

G

K

V

L

K

K

L

P

L

A

S

F

E

E

-

G

-

L

-

A

-

L

-

G

-

F

-

D

D

D

G

V

R

A

L

L

-

Q

-

K

-

Y

-
x
H

-
x
W

-

V

-

E

-

K

-

I

-

N

-

H

-

V

-

H

T

T

A

G

T

N

S

S

Q

G

I

I

C

V

D

D

G

G

A

A

G

L

V

V

M

M

I

I

V

G

N

S

E

A

R

A

G

A

L

G

K

K

A

L

L

Q

G

G

V

L

A

T

P

P

L

R

A

A

R

R

I

I

H

V

H

A

M

T

T

A

V

T

I

S

G

G

H

A

D

D

P

P

V

V

I

I

M

M

L

L

E

T

A

G

P

P

I

T

P

P

A

A

T

T

Q

R

K

K

A

V

L

L

E

D

R

R

A

A

G

G

M

L

K

T

I

V

D

D

I

I

D

D

L

L

Y

F

E

E

V

L

N

N

E

E

A

A

F

F

A

A

S

S

V

V

P

V

T

L

A

K

W

F

L

Q

Q

K

V

D

T

L

G

N

G

I

D

P

P

D

D

E

K

K

L

L

N

N

V

V

N

N

G

G

A

A

I

I

A

A

L

M

G

G

H
|
H

P

P

L

L

G

G

G

A

S

T

G

G

A

A

K

M

L

I

M

L

T

G

T

T

L

M

V

V

H

D

A

E

L

L

K

E

D

R

R

R

G

N

A

A

R

R

Y

R

G

A

L

L

Q

I

T

T

M

L

C
|
C

E

I

G
|
G

G

G

L

M

A

G

N

V

V

A

T

T

I

I

V

I

E

E

R

R

L

V

active site: C92 (= C89), H359 (= H346), C389 (= C376), G391 (= G378)
binding adenosine-5'-diphosphate: H243 (vs. gap), W244 (vs. gap)

O53871 Putative acyltransferase Rv0859; EC 2.3.1.- from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
41% identity, 99% coverage: 3:390/390 of query aligns to 4:403/403 of O53871

query
sites
O53871

E

E

A

A

Y

F

I

I

V

Y

A

E

A

A

A

I

R

R

T

T

A

P

G

R

G

G

R

K

-

Q

K

K

G

N

G

G

R

S

V

L

S

H

G

E

W

V

H

K

P

P

A

L

D

S

L

L

A

V

G

V

E

G

V

L

L

I

N

D

A

E

L

L

V

R

D

K

R

R

S

H

-

P

G

D

A

L

D

D

P

E

A

N

L

L

I

I

E

S

D

D

V

V

I

I

M

L

G

G

C

C

V

V

G

S

Q

P

V

V

G

G

E

D

Q

Q

A

G

I

G

N

D

I

I

A

A

R

R

N

A

A

A

V

V

L

L

A

A

S

S

K

G

L

M

P

P

E

V

S

T

V

S

P

G

A

G

T

V

S

Q

V

L

D

N

R

R

Q

F

C

C

G

A

S

S

S

G

Q

L

Q

E

S

A

I

V

H

N

F

T

A

A

A

Q

T

K

V

V

M

R

S

S

G

G

A

W

M

D

D

D

I

L

V

V

I

L

A

A

A

G

G

G

V

V

E

E

S

S

M

M

S

S

R

R

V

V

P

P

M

M

G

G

L

-

S

-

A

-

L

-

P

-

Y

-

K

S

N

D

G

G

F

G

G

A

T

M

Y

G

K

L

S

D

P

P

R

-

M

-

E

A

E

T

R

N

Y

Y

P

D

G

V

I

M

Q

F

F

V

S

P

Q

Q

F

S

A

I

G

G

A

A

E

D

M

L

L

I

A

A

K

T

K

I

Y

E

D

G

L

F

S

S

R

R

E

E

Q

D

L

V

D

D

A

A

F

Y

A

A

L

L

A

R

S

S

H

Q

Q

Q

R

K

A

A

M

A

A

E

A

A

T

W

K

S

G

G

K

Y

F

F

A

A

A
x
K

E

S

I

V

V

V

P

P

I

V

K

R

V

-

T

-

L

-

P

D

D

Q

G

N

S

G

V

L

E

L

T

I

H

L

D

D

A

H

D

D

E

E

G

H

I

M

R

R

W

P

D

D

A

T

T

T

M

K

E

E

S

G

I

L

G

A

G

K

V

L

K

K

L

P

L

A

S

F

E

E

-

G

-

L

-

A

-

L

-

G

-

F

-

D

D

D

G

V

R

A

L

L

-

Q

-

K

-

Y

-

H

-

W

-

V

-

E

-

K

-

I

-

N

-

H

-

V

-

H

T

T

A

G

T

N

S

S

Q

G

I

I

C

V

D

D

G

G

A

A

G

L

V

V

M

M

I

I

V

G

N

S

E

A

R

A

G

A

L

G

K

K

A

L

L

Q

G

G

V

L

A

T

P

P

L

R

A

A

R

R

I

I

H

V

H

A

M

T

T

A

V

T

I

S

G

G

H

A

D

D

P

P

V

V

I

I

M

M

L

L

E

T

A

G

P

P

I

T

P

P

A

A

T

T

Q

R

K

K

A

V

L

L

E

D

R

R

A

A

G

G

M

L

K

T

I

V

D

D

I

I

D

D

L

L

Y

F

E

E

V

L

N

N

E

E

A

A

F

F

A

A

S

S

V

V

P

V

T

L

A

K

W

F

L

Q

Q

K

V

D

T

L

G

N

G

I

D

P

P

D

D

E

K

K

L

L

N

N

V

V

N

N

G

G

A

A

I

I

A

A

L

M

G

G

H

H

P

P

L

L

G

G

G

A

S

T

G

G

A

A

K

M

L

I

M

L

T

G

T

T

L

M

V

V

H

D

A

E

L

L

K

E

D

R

R

R

G

N

A

A

R

R

Y

R

G

A

L

L

Q

I

T

T

M

L

C

C

E

I

G

G

L

M

A

G

N

V

V

A

T

T

I

I

V

I

E

E

R

R

L

V

K189 (≠ A195) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)

P07097 Acetyl-CoA acetyltransferase; Acetoacetyl-CoA thiolase; Beta-ketothiolase; EC 2.3.1.9 from Shinella zoogloeoides (Crabtreella saccharophila) (see 2 papers)
39% identity, 99% coverage: 4:390/390 of query aligns to 5:392/392 of P07097

query
sites
P07097

A

S

Y

I

I

V

V

I

A

A

A

S

A

A

R

R

T

T

A

A

G

V

G

G

R

S

K

F

G

N

G

G

R

A

V

F

S

A

G

N

W

T

H

P

P

A

A

H

D

E

L

L

A

G

G

A

E

T

V

V

L

I

N

S

A

A

L

V

V

L

D

E

R

R

S

A

G

G

A

V

D

A

P

A

A

G

L

E

I

V

E

N

D

E

V

V

I

I

M

L

G

G

C

Q

V

V

G

L

Q

P

V

A

G

G

E

E

Q

-

A

G

I
x
Q

N

N

I

P

A

A

R

R

N

Q

A

A

V

A

L

M

A

K

S

A

K

G

L

V

P

P

E

Q

S

E

V

A

P

T

A

A

T

W

S

G

V

M

D

N

R

Q

Q

L

C
|
C

G

G

S

S

S

G

Q

L

Q

R

S

A

I

V

H

A

F

L

A

G

A

M

A

Q

T

Q

V

I

M

A

S

T

G

G

A

D

M

A

D

S

I

I

V

I

I

V

A

A

A

G

G

G

V

M

E

E

S

S

M

M

S

S

R

M

V

A

P

P

M

H

G

C

L

A

S

H

S

L

A

A

L

G

P

G

Y

V

K

K

N

M

G

G

-

D

-

F

-

K

-

M

F

I

G

D

T

T

Y

M

K

I

S

K

P

D

R

G

M

L

E

T

E

D

R

A

Y

F

P

Y

G

G

I

Y

Q

H

F

M

S

G

Q

T

F

T

A

A

G

-

A

-

E

E

M

N

L

V

A

A

K

K

K

Q

Y

W

D

Q

L

L

S

S

R

R

E

D

Q

E

L

Q

D

D

A

A

F

F

A

A

L

V

A

A

S

S

H

Q

Q

N

R

K

A

A

M

E

A

A

T

Q

K

K

G

D

G

G

K

R

F

F

A

K

A

D

E

E

I

I

V

V

P

P

I

F

K

I

V

V

T

K

L

G

P

R

D

K

G

G

S

D

V

I

E

-

T

T

H

V

D

D

A

A

D

D

E

E

G

Y

I

I

R

R

W

H

D

G

A

A

T

T

M

L

E

D

S

S

I

M

G

A

G

K

V

L

K

R

-

P

L

A

L

F

S

D

E

K

D

E

G

G

R

T

L

V

T

T

A

A

A

G

T

N

S

A

S

S

Q

G

I

L

C

N

D

D

G

G

A

A

G

A

V

A

M

L

I

L

V

M

N

S

E

E

R

A

G

E

L

A

K

S

A

R

L

R

G

G

V

I

A

Q

P

P

L

L

A

G

R

R

I

I

H

V

H

S

M

W

T

A

V

T

I

V

G

G

H

V

D

D

P

P

V

K

I

V

M

M

L

G

E

T

A

G

P

P

I

I

P

P

A

A

T

S

Q

R

K

K

A

A

L

L

E

E

R

R

A

A

G

G

M

W

K

K

I

I

D

G

D

D

I

L

D

D

L

L

Y

V

E

E

V

A

N

N

E

E

A

A

F

F

A

A

S

A

V

Q

P

A

T

C

A

A

W

V

L

N

Q

K

V

D

T

L

G

G

G

W

D

D

P

P

D

S

K

I

L

V

N

N

V

V

N

N

G

G

A

A

I

I

A

A

L

I

G

G

H

H

P

P

L

I

G

G

G

A

S

S

G

G

A

A

K

R

L

I

M

L

T

N

T

T

L

L

V

L

H

F

A

E

L

M

K

K

D

R

R

R

G

G

A

A

R

R

Y

K

G

G

L

L

Q

A

T

T

M

L

C
|
C

E

I

G

G

L

M

A

G

N

V

V

A

T

M

I

C

V

I

E

E

R

S

L

L

Q64 (≠ I64) mutation to A: Slightly lower activity.
C89 (= C89) mutation to A: Loss of activity.
C378 (= C376) mutation to G: Loss of activity.

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)
39% identity, 100% coverage: 1:389/390 of query aligns to 1:392/393 of P14611

query
sites
P14611

M

M

G

T

E

D

A

V

Y

V

I

I

V

V

A

S

A

A

R

R

T

T

A

A

G

V

G

G

R

K

K

F

G

G

R

S

V

L

S

A

G

K

W

I

H

P

P

A

A

P

D

E

L

L

A

G

G

A

E

V

V

V

L

I

N

K

A

A

L

A

V

L

D

E

R

R

S

A

G

G

A

V

D

K

P

P

A

E

L

Q

I

V

E

S

D

E

V

V

I

I

M

M

G

G

C

Q

V

V

G

L

Q

T

V

A

G

G

E

S

Q

-

A

G

I

Q

N

N

I

P

A

A

R

R

N

Q

A

A

V

A

L

I

A

K

S

A

K

G

L

L

P

P

E

A

S

M

V

V

P

P

A

A

T

M

S

T

V

I

D

N

R

K

Q

V

C
|
C

G

G

S

S

S

G

Q

L

Q

K

S

A

I

V

H

M

F

L

A

A

A

N

T

A

V

I

M

M

S

A

G

G

A

D

M

A

D

E

I

I

V

V

I

V

A

A

A

G

G

G

V

Q

E

E

S

N

M

M

S

S

R

A

V

A

P

P

M

H

G

V

L

L

S

P

S

G

A

S

L

-

P

-

Y

-

K

R

N

D

G

G

F

F

G

R

T

M

Y

G

K

D

S

A

P

K

R

L

M

V

E

D

E

T

R

M

-

I

Y

V

P

D

G

G

I

L

-

W

-

D

-

V

-

Y

-

N

Q

Q

F

Y

S
x
H

Q

M

F

G

A

I

G

T

A

A

E

E

M

N

L

V

A

A

K

K

K

E

Y

Y

D

G

L

I

S

T

R

R

E

E

Q

A

L

Q

D

D

A

E

F

F

A

A

L

V

A

G

S

S

H

Q

Q

N

R

K

A

A

M

E

A

A

T

Q

K

K

G

A

G

G

K

K

F

F

A

D

A

E

E

E

I

I

V

V

P

P

I

V

K

L

V

I

T

P

L

Q

P

R

D

K

G

G

S

D

V

P

E

V

T

A

H

F

D

K

A

T

D

D

E

E

G
x
F

I

V

R
|
R

W

Q

D

G

A

A

T

T

M

L

E

D

S

S

I

M

G

S

G

G

V

L

K

K

-

P

L

A

L

F

S

D

E

K

D

A

G

G

R

T

L

V

T

T

A

A

T

N

S

A

S
|
S

Q

G

I

L

C

N

D

D

G

G

A

A

G

A

V

V

M

V

I

V

V

M

N

S

E

A

R

A

G

K

L

A

K

K

A

E

L

L

G

G

V

L

A

T

P

P

L

L

A

A

R

T

I

I

H

K

H

S

M

Y

T

A

V

N

I

A

G

G

H

V

D

D

P

P

V

K

I

V

M

M

L

G

E

M

A

G

P

P

I

V

P

P

A

A

T

S

Q

K

K

R

A

A

L

L

E

S

R

R

A

A

G

E

M

W

K

T

I

P

D

Q

D

D

I

L

D

D

L

L

Y

M

E

E

V

I

N

N

E

E

A

A

F

F

A

A

S

A

V

Q

P

A

T

L

A

A

W

V

L

H

Q

Q

V

Q

T

M

G

G

G

W

D

D

P

T

D

S

K

K

L

V

N

N

V

V

N

N

G

G

A

A

I

I

A

A

L

I

G

G

H
|
H

P

P

L

I

G

G

G

A

S

S

G

G

A

C

K

R

L

I

M

L

T

V

T

T

L

L

V

L

H

H

A

E

L

M

K

K

D

R

R

R

G

D

A

A

R

K

Y

K

G

G

L

L

Q

A

T

S

M

L

C
|
C

E

I

G

G

L

M

A

G

N

V

V

A

T

L

I

A

V

V

E

E

R

R

C88 (= C89) active site, Acyl-thioester intermediate; mutation to S: Almost complete loss of acetoacetyl-CoA thiolase activity.
H156 (≠ S154) mutation to A: Almost complete loss of acetoacetyl-CoA thiolase activity.
F219 (≠ G217) mutation to A: About 50% loss of acetoacetyl-CoA thiolase activity.; mutation to Y: 2-fold increase of acetoacetyl-CoA thiolase activity.
R221 (= R219) mutation to A: Almost complete loss of acetoacetyl-CoA thiolase activity.
S248 (= S245) mutation to A: About 40% loss of acetoacetyl-CoA thiolase activity.
H349 (= H346) mutation to A: Almost complete loss of acetoacetyl-CoA thiolase activity.
C379 (= C376) mutation to S: Almost complete loss of acetoacetyl-CoA thiolase activity.

2vu2A Biosynthetic thiolase from z. Ramigera. Complex with s-pantetheine-11- pivalate. (see paper)
39% identity, 99% coverage: 6:390/390 of query aligns to 4:389/389 of 2vu2A

query
sites
2vu2A

I

I

V

A

A

S

A

A

R

R

T

T

A

A

G

V

G

G

R

S

K

F

G

N

G

G

R

A

V

F

S

A

G

N

W

T

H

P

P

A

A

H

D

E

L

L

A

G

G

A

E

T

V

V

L

I

N

S

A

A

L

V

V

L

D

E

R

R

S

A

G

G

A

V

D

A

P

A

A

G

L

E

I

V

E

N

D

E

V

V

I

I

M

L

G

G

C

Q

V

V

G

L

Q

P

V

A

G

G

E

E

Q

-

A

G

I

Q

N

N

I

P

A

A

R

R

N

Q

A

A

V

A

L

M

A

K

S

A

K

G

L

V

P

P

E

Q

S

E

V

A

P

T

A

A

T

W

S

G

V

M

D

N

R

Q

Q

L

C
|
C

G

G

S

S

S

G

Q

L

Q

R

S

A

I

V

H

A

F

L

A

G

A

M

A

Q

T

Q

V

I

M

A

S

T

G

G

A

D

M

A

D

S

I

I

V

I

I

V

A

A

A

G

G

G

V

M

E

E

S

S

M

M

S

S

R

M

V

A

P

P

M

H

G

C

L

A

S

H

S

L

A

R

L

G

P

G

Y

V

K

K

N

M

G

G

-

D

-

F

-

K

-

M

F

I

G

D

T

T

Y

M

K

I

S

K

P

D

R

G

M
x
L

E

T

E

D

R

A

Y

F

P

Y

G

G

I

Y

Q
x
H

F
x
M

S

G

Q

T

F

T

A

A

G

-

A

-

E

E

M

N

L

V

A

A

K

K

K

Q

Y

W

D

Q

L

L

S

S

R

R

E

D

Q

E

L

Q

D

D

A

A

F

F

A

A

L

V

A

A

S

S

H

Q

Q

N

R

K

A

A

M

E

A

A

T

Q

K

K

G

D

G

G

K

R

F

F

A

K

A

D

E

E

I

I

V

V

P

P

I

F

K

I

V

V

T

K

L

G

P

R

D

K

G

G

S

D

V

I

E

-

T

T

H

V

D

D

A

A

D

D

E

E

G

Y

I

I

R

R

W

H

D

G

A

A

T

T

M

L

E

D

S

S

I

M

G

A

G

K

V

L

K

R

-

P

L

A

L
x
F

S

D

E

K

D

E

G

G

R

T

L

V

T

T

A
|
A

A

G

T

N

S

A

S
|
S

Q
x
G

I
x
L

C

N

D

D

G

G

A

A

G

A

V

A

M

L

I

L

V

M

N

S

E

E

R

A

G

E

L

A

K

S

A

R

L

R

G

G

V

I

A

Q

P

P

L

L

A

G

R

R

I

I

H

V

H

S

M

W

T

A

V

T

I

V

G

G

H

V

D

D

P

P

V

K

I

V

M

M

L

G

E

T

A

G

P

P

I

I

P

P

A

A

T

S

Q

R

K

K

A

A

L

L

E

E

R

R

A

A

G

G

M

W

K

K

I

I

D

G

D

D

I

L

D

D

L

L

Y

V

E

E

V

A

N

N

E

E

A
|
A

F
|
F

A

A

S

A

V

Q

P

A

T

C

A

A

W

V

L

N

Q

K

V

D

T

L

G

G

G

W

D

D

P

P

D

S

K

I

L

V

N

N

V

V

N

N

G

G

A

A

I

I

A

A

L

I

G

G

H
|
H

P

P

L

I

G

G

G

A

S

S

G

G

A

A

K

R

L

I

M

L

T

N

T

T

L

L

V

L

H

F

A

E

L

M

K

K

D

R

R

R

G

G

A

A

R

R

Y

K

G

G

L

L

Q

A

T

T

M

L

C
|
C

E

I

G
|
G

G

G

L

M

A

G

N

V

V

A

T

M

I

C

V

I

E

E

R

S

L

L

active site: C86 (= C89), H345 (= H346), C375 (= C376), G377 (= G378)
binding (3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-sulfanylethyl)amino]propyl}amino)butyl 2,2-dimethylpropanoate: C86 (= C89), L145 (≠ M144), H153 (≠ Q152), M154 (≠ F153), F232 (≠ L233), A240 (= A241), S244 (= S245), G245 (≠ Q246), L246 (≠ I247), A315 (= A316), F316 (= F317), H345 (= H346)

1dm3A Acetylated biosynthetic thiolase from zoogloea ramigera in complex with acetyl-coa (see paper)
39% identity, 99% coverage: 6:390/390 of query aligns to 4:389/389 of 1dm3A

query
sites
1dm3A

I

I

V

A

A

S

A

A

R

R

T

T

A

A

G

V

G

G

R

S

K

F

G

N

G

G

R

A

V

F

S

A

G

N

W

T

H

P

P

A

A

H

D

E

L

L

A

G

G

A

E

T

V

V

L

I

N

S

A

A

L

V

V

L

D

E

R

R

S

A

G

G

A

V

D

A

P

A

A

G

L

E

I

V

E

N

D

E

V

V

I

I

M

L

G

G

C

Q

V

V

G

L

Q

P

V

A

G

G

E

E

Q

-

A

G

I

Q

N

N

I

P

A

A

R

R

N

Q

A

A

V

A

L

M

A

K

S

A

K

G

L

V

P

P

E

Q

S

E

V

A

P

T

A

A

T

W

S

G

V

M

D

N

R

Q

Q

L