SitesBLAST

165:174 (vs. 130:139, 90% identical) binding FAD
S174 (= S139) binding substrate
WIT 198:200 (= WIT 163:165) binding FAD
SR 222:223 (≠ SK 185:186) binding substrate
G250 (= G213) to A: in IVA; uncertain significance
Y277 (≠ R240) binding substrate
DLER 284:287 (≠ DYER 247:250) binding substrate
E286 (= E249) active site, Proton acceptor; mutation to D: Residual isovaleryl-CoA dehydrogenase activity.; mutation to G: Loss of isovaleryl-CoA dehydrogenase activity. Does not affect isovaleryl-CoA dehydrogenase activity; when associated with 407-E.; mutation to Q: Loss of isovaleryl-CoA dehydrogenase activity.
A291 (= A254) to V: in IVA; uncertain significance; dbSNP:rs886042098
R312 (= R275) binding FAD
Q323 (= Q286) binding FAD
I379 (= I342) to T: in IVA; uncertain significance
QCFGG 380:384 (≠ QLLGG 343:347) binding FAD
R398 (= R361) to Q: in IVA; uncertain significance; dbSNP:rs1477527791
Y403 (= Y366) to N: in IVA; uncertain significance
A407 (= A370) mutation to E: Does not affect isovaleryl-CoA dehydrogenase activity; when associated with 286-D.
AG 407:408 (= AG 370:371) binding substrate
TSE 409:411 (= TSE 372:374) binding FAD

Sites not aligning to the query:

1:32 modified: transit peptide, Mitochondrion

1ivhA Structure of human isovaleryl-coa dehydrogenase at 2.6 angstroms resolution: structural basis for substrate specificity (see paper)
68% identity, 96% coverage: 11:382/389 of query aligns to 7:382/387 of 1ivhA

query
sites
1ivhA

G

G

L

L

D

S

D

E

E

E

L

Q

N

R

M

Q

L

L

R

R

D

Q

Q

T

V

M

N

A

A

K

F

F

A

L

R

Q

D

E

E

H

I

L

A

A

P

P

R

K

A

A

A

Q

E

E

I

I

D

D

E

R

K

S

N

N

E

E

F

F

P

K

N

N

-

L

-

R

D

E

L

F

W

W

Q

K

K

Q

F

L

G

G

D

N

M

L

G

G

L

V

L

L

G

G

I

I

T

T

V

A

P

P

E

V

E

Q

D

Y

G

G

T

S

G

G

M

L

G

G

Y

Y

L

L

A

E

H

H

C

V

I

L

A

V

M

M

E

E

I

I

S

S

R

R

A

A

S

S

A

G

S

A

V

V

G

G

L

L

S

S

Y

Y

G

G

A

A

H

H

S

S

N

N

L

L

C

C

V

I

N

N

Q

Q

L

L

K

V

I

R

N

N

A

G

N

N

A

E

E

A

Q

Q

K

K

A

E

K

K

Y

Y

L

L

P

P

K

K

L

L

I

I

S

S

G

G

E

E

H

Y

I

I

G

G

A

A

L
|
L

A

A

M
|
M

S
|
S

E

E

P

P

G

N

A

A

G
|
G

S
|
S

D

D

V

V

S

S

M

M

K

K

L

L

R

K

A

A

R

E

Q

K

E

K

G

G

D

N

K

H

Y

Y

I

I

L

L

N

N

G

G

N

N

K

K

M

F

W
|
W

I

I

T
|
T

N

N

G

G

P

P

D

D

A

A

D

D

V

V

L

L

V

I

V

V

Y

Y

A

A

K

K

T

T

D

D

P

L

E

A

A

A

-

V

-

P

G

A

S
|
S

K
x
R

G

G

I

I

T

T

A

A

F

F

I

I

I

V

E

E

K

K

G

G

M

M

P

P

G

G

F

F

S

S

T

T

A

S

Q

K

K

K

L

L

D

D

K

K

L

L

G

G

M

M

R

R

G

G

S

S

N

N

T

T

C

C

E

E

L

L

V

I

F

F

Q

E

D

D

C

C

E

K

V

I

P

P

V

A

E

A

N

N

V

I

L

L

G

G

D

H

E

E

G

N

K

K

G

G

V
|
V

R
x
Y

V

V

L

L

M
|
M

S

S

G

G

L

L

D

D

Y

L

E
|
E

R
|
R

T

L

V

V

L

L

A

A

A

G

G

G

P

P

I

L

G

G

I

L

M

M

Q

Q

A

A

A

V

M

L

D

D

V

H

V

T

V

I

P

P

Y

Y

V

L

H

H

E

V

R
|
R

K

E

Q

A

F
|
F

N

G

Q

Q

S

K

I

I

G

G

E

H

F
|
F

Q

Q

L

L

V
x
M

Q

Q

G

G

K

K

I

M

A

A

D

D

M

M

Y

Y

T

T

T

R

L

L

N

M

A

A

C

C

R

R

A

Q

Y

Y

L

V

Y

Y

A

N

V

V

A

A

A

K

A

A

C

C

D

D

R

E

G

G

Q

H

T

C

S

T

R

A

K

K

D

D

A

C

A

A

G

G

V

V

I

I

L

L

Y

Y

C

S

A

A

E

E

K

C

A

A

T

T

Q

Q

V

V

A

A

L

L

D

D

A

G

I

I

Q
|
Q

L
x
C

L

F

G

G

G
|
G

N

N

G

G

Y

Y

I

I

N

N

E

D

Y

F

P

P

T

M

G

G

R

R

L

F

L

L

R

R

D

D

A

A

K

K

L

L

Y

Y

E

E

I

I

G
|
G

A
|
A

G
|
G

T
|
T

S

S

E
|
E

I
x
V

R

R

M

L

L

V

I

I

G

G

R
|
R

active site: M130 (= M132), S131 (= S133), E249 (= E249), A370 (= A370), R382 (= R382)
binding coenzyme a persulfide: S137 (= S139), S185 (= S185), R186 (≠ K186), V239 (= V239), Y240 (≠ R240), M243 (= M243), E249 (= E249), R250 (= R250), G369 (= G369), A370 (= A370), G371 (= G371), V375 (≠ I375)
binding flavin-adenine dinucleotide: L128 (= L130), M130 (= M132), S131 (= S133), G136 (= G138), S137 (= S139), W161 (= W163), T163 (= T165), R275 (= R275), F278 (= F278), F285 (= F285), M288 (≠ V288), Q343 (= Q343), C344 (≠ L344), G347 (= G347), T372 (= T372), E374 (= E374)

8sgrA Human liver mitochondrial isovaleryl-coa dehydrogenase (see paper)
68% identity, 96% coverage: 11:382/389 of query aligns to 11:386/393 of 8sgrA

query
sites
8sgrA

G

G

L

L

D

S

D

E

E

E

L

Q

N

R

M

Q

L

L

R

R

D

Q

Q

T

V

M

N

A

A

K

F

F

A

L

R

Q

D

E

E

H

I

L

A

A

P

P

R

K

A

A

A

Q

E

E

I

I

D

D

E

R

K

S

N

N

E

E

F

F

P

K

N

N

-

L

-

R

D

E

L

F

W

W

Q

K

K

Q

F

L

G

G

D

N

M

L

G

G

L

V

L

L

G

G

I

I

T

T

V

A

P

P

E

V

E

Q

D

Y

G

G

T

S

G

G

M

L

G

G

Y

Y

L

L

A

E

H

H

C

V

I

L

A

V

M

M

E

E

I

I

S

S

R

R

A

A

S

S

A

G

S

A

V

V

G

G

L

L

S

S

Y

Y

G

G

A

A

H

H

S

S

N

N

L

L

C

C

V

I

N

N

Q

Q

L

L

K

V

I

R

N

N

A

G

N

N

A

E

E

A

Q

Q

K

K

A

E

K

K

Y

Y

L

L

P

P

K

K

L

L

I

I

S

S

G

G

E

E

H

Y

I

I

G

G

A

A

L

L

A

A

M

M

S
|
S

E

E

P

P

G

N

A

A

G
|
G

S
|
S

D

D

V

V

S

S

M

M

K

K

L

L

R

K

A

A

R

E

Q

K

E

K

G

G

D

N

K

H

Y

Y

I

I

L

L

N

N

G

G

N

N

K

K

M

F

W
|
W

I

I

T
|
T

N

N

G

G

P

P

D

D

A

A

D

D

V

V

L

L

V

I

V

V

Y

Y

A

A

K

K

T

T

D

D

P

L

E

A

A

A

-

V

-

P

G

A

S

S

K

R

G

G

I

I

T

T

A

A

F

F

I

I

I

V

E

E

K

K

G

G

M

M

P

P

G

G

F

F

S

S

T

T

A

S

Q

K

K

K

L

L

D

D

K

K

L

L

G

G

M

M

R

R

G

G

S

S

N

N

T

T

C

C

E

E

L

L

V

I

F

F

Q

E

D

D

C

C

E

K

V

I

P

P

V

A

E

A

N

N

V

I

L

L

G

G

D

H

E

E

G

N

K

K

G

G

V

V

R

Y

V

V

L

L

M

M

S

S

G

G

L

L

D

D

Y

L

E

E

R

R

T

L

V

V

L

L

A

A

A

G

G

G

P

P

I

L

G

G

I

L

M

M

Q

Q

A

A

A

V

M

L

D

D

V

H

V

T

V

I

P

P

Y

Y

V

L

H

H

E

V

R
|
R

K

E

Q

A

F
|
F

N

G

Q

Q

S

K

I
|
I

G

G

E

H

F
|
F

Q

Q

L

L

V

M

Q

Q

G

G

K

K

I

M

A

A

D

D

M

M

Y

Y

T

T

T

R

L

L

N

M

A

A

C

C

R

R

A

Q

Y

Y

L

V

Y

Y

A

N

V

V

A

A

A

K

A

A

C

C

D

D

R

E

G

G

Q

H

T

C

S

T

R

A

K

K

D

D

A

C

A

A

G

G

V

V

I

I

L

L

Y

Y

C

S

A

A

E

E

K

C

A

A

T

T

Q

Q

V

V

A

A

L

L

D

D

A

G

I

I

Q
|
Q

L
x
C

L

F

G

G

G
|
G

N

N

G

G

Y

Y

I

I

N

N

E

D

Y

F

P

P

T

M

G

G

R

R

L

F

L

L

R

R

D

D

A

A

K

K

L
|
L

Y

Y

E

E

I

I

G

G

A

A

G
|
G

T
|
T

S

S

E

E

I

V

R

R

M
x
L

L

V

I

I

G

G

R

R

binding flavin-adenine dinucleotide: S135 (= S133), G140 (= G138), S141 (= S139), W165 (= W163), T167 (= T165), R279 (= R275), F282 (= F278), I286 (= I282), F289 (= F285), Q347 (= Q343), C348 (≠ L344), G351 (= G347), L369 (= L365), G375 (= G371), T376 (= T372), L382 (≠ M378)

5ol2F The electron transferring flavoprotein/butyryl-coa dehydrogenase complex from clostridium difficile (see paper)
43% identity, 95% coverage: 17:386/389 of query aligns to 9:378/378 of 5ol2F

query
sites
5ol2F

N

Q

M

M

L

L

R

K

D

E

Q

L

V

Y

N

V

A

S

F

F

A

A

R

E

D

N

E

E

I

V

A

K

P

P

R

L

A

A

A

T

E
|
E

I

L

D

D

E

E

K
x
E

N

E

E
x
R

F

F

P

P

N

Y

D

E

L

T

W

V

Q

E

K

K

F

M

G

A

D

K

M

A

G

G

L

M

G

G

I

I

T

P

V

Y

P

P

E

K

E

E

D

Y

G

G

T

E

G

G

M

G

G

D

Y

T

L

V

A

G

H

Y

C

I

I

M

A

A

M

V

E

E

I

L

S

S

R

R

A

V

S

C

A

G

S

T

V

T

G

G

L

V

S

I

Y

L

G

S

A

A

H

H

S

T

N

S

L

L

C

G

V

S

N

W

Q

P

L

I

K

Y

I

Q

N

Y

A

G

N

N

A

E

E

E

Q

Q

K

K

A

Q

K

K

Y

F

L

L

P

R

K

P

L

L

I

A

S

S

G

G

E

E

H

K

I

L

G

G

A

A

L
x
F

A

G

M
x
L

S
x
T

E

E

P
|
P

G

N

A

A

G

G

S
x
T

D

D

V

A

V

S

S

G

M

Q

K

Q

L

T

R

T

A

A

R

V

Q

L

E

D

G

G

D

D

K

E

Y

Y

I

I

L

L

N

N

G

G

N

S

K

K

M

I

W
x
F

I
|
I

T
|
T

N

N

G

A

P

I

D

A

A

G

D

D

V

I

L

Y

V

V

Y

M

A

A

K

M

T

T

D

D

P

K

E

S

A

K

G

G

S

N

K

K

G

G

I

I

T

S

A

A

F

F

I

I

I

V

E

E

K

K

G

G

M

T

P

P

G

G

F

F

S

S

T

F

A

G

Q

V

K

K

L
x
E

D

K

K

K

L

M

G

G

M

I

R

R

G

G

S

S

N

A

T

T

C

S

E

E

L

L

V

I

F

F

Q

E

D

D

C

C

E

R

V

I

P

P

V

K

E

E

N

N

V

L

L

L

G

G

D

K

E

E

G

G

K

Q

G

G

V

F

R

K

V

I

L

A

M

M

S

S

G

T

L
|
L

D

D

Y

G

E
x
G

R
|
R

T

I

V

G

L

I

A

A

G

Q

P

A

I

L

G

G

I

L

M

A

Q

Q

A

G

A

A

M

L

D

D

V

E

V

T

V

V

P

K

Y

Y

V

V

H

K

E

E

R
|
R

K

V

Q

Q

F
|
F

N

G

Q

R

S

P

I
x
L

G

S

E

K

F
|
F

Q

Q

L

N

V

T

Q

Q

G

F

K

Q

I

L

A

A

D

D

M

M

Y

E

T

V

T

K

L

V

N

Q

A

A

C

A

R

R

A

H

Y

L

L

V

Y

Y

A

Q

V

A

A

A

A

I

A

N

C

K

D

D

R

L

G

G

Q

K

T

P

S

Y

R

G

K

V

D

E

A

A

G

M

V

A

I

K

L

L

Y

F

C

A

A

A

E

E

K

T

A

A

T

M

Q

E

V

V

A

T

L

T

D

K

A

A

I

V

Q
|
Q

L
|
L

L

H

G
|
G

N

Y

G

G

Y

Y

I

T

N

R

E

D

Y

Y

P

P

T

V

G

E

R

R

L

M

R

R

D

D

A

A

K

K

L

I

Y

T

E

E

I

I

G
x
Y

A
x
E

G
|
G

T
|
T

S

S

E
|
E

I

V

R

Q

R

R

M

M

L

V

I

I

G

S

R
x
G

E

K

L

L

F

L

N

K

active site: L124 (≠ M132), T125 (≠ S133), G241 (≠ E249), G374 (≠ R382)
binding calcium ion: E29 (= E37), E33 (≠ K41), R35 (≠ E43)
binding coenzyme a persulfide: L238 (= L246), R242 (= R250), E362 (≠ A370), G363 (= G371)
binding flavin-adenine dinucleotide: F122 (≠ L130), L124 (≠ M132), T125 (≠ S133), P127 (= P135), T131 (≠ S139), F155 (≠ W163), I156 (= I164), T157 (= T165), E198 (≠ L206), R267 (= R275), F270 (= F278), L274 (≠ I282), F277 (= F285), Q335 (= Q343), L336 (= L344), G338 (= G346), G339 (= G347), Y361 (≠ G369), T364 (= T372), E366 (= E374)

5lnxD Crystal structure of mmgc, an acyl-coa dehydrogenase from bacillus subtilis.
43% identity, 95% coverage: 18:385/389 of query aligns to 8:373/374 of 5lnxD

query
sites
5lnxD

M

M

L

M

R

R

D

K

Q

M

V

V

N

R

A

D

F

F

A

A

R

R

D

K

E

E

I

I

A

A

P

P

R

A

A

A

A

E

E

I

I

M

D

E

E

K

K

T

N

D

E

E

F

F

P

P

N

F

D

Q

L

L

W

I

Q

K

K

K

F

M

G

G

D

K

M

H

G

G

L

L

L

M

G

G

I

I

T

P

V

V

P

P

E

E

E

Q

D

Y

G

G

T

A

G

G

M

A

G

D

Y

V

L

V

A

S

H

Y

C

I

I

L

A

A

M

I

E

H

E

E

I

I

S

S

R

R

A

I

S

S

A

A

S

A

V

V

G

G

L

V

S

I

Y

L

G

S

A

V

H

H

S

T

N

S

L

V

C

G

V

T

N

N

Q

P

L

I

K

L

I

Y

N

F

A

G

N

N

A

E

E

E

Q

Q

K

K

A

M

K

K

Y

Y

L

I

P

P

K

N

L

L

I

A

S

S

G

G

E

D

H

H

I

L

G

G

A

A

L

F

A

A

M
x
L

S
x
T

E

E

P

P

G

H

A

S

G
|
G

S
|
S

D

D

V

A

V

G

S

S

M

L

K

R

L

T

R

T

A

A

R

I

Q

K

E

K

G

N

D

G

K

K

Y

Y

I

L

L

L

N

N

G

G

N

S

K

K

M

I

W
x
F

I

I

T
|
T

N

N

G

G

P

G

D

A

A

A

D

D

V

I

L

Y

V

I

V

T

Y

F

A

A

K

L

T

T

D

A

P

P

E

D

A

Q

G

G

S

R

K

H

G

G

I

I

T

S

A

A

F

F

I

I

I

V

E

E

K

K

G

N

M

T

P

P

G

G

F

F

S

T

T

V

A

G

Q

K

K

K

L

E

D

R

K

K

L

L

G

G

M

L

R

Y

G

G

S

S

N

N

T

T

C

T

E

E

L

L

V

I

F

F

Q

D

D

N

C

A

E

E

V

V

P

P

V

E

E

A

N

N

V

L

L

L

G

G

D

K

E

E

G

G

K

D

G

G

V

F

R

H

V

I

L

A

M

M

S

A

G

N

L

L

D

N

Y

V

E
x
G

R

R

T

I

V

G

L

I

A

A

G

Q

P

A

I

L

G

G

I

I

M

A

Q

E

A

A

M

L

D

E

V

H

V

A

V

V

P

D

Y

Y

V

A

H

K

E

Q

R
|
R

K

V

Q
|
Q

F
|
F

N

G

Q

R

S

P

I
|
I

G

A

E

A

F
x
N

Q

Q

L

G

V
x
I

Q

S

G

F

K

K

I

L

A

A

D

D

M

M

Y

A

T

T

T

R

L

A

N

E

A

A

C

A

R

R

A

H

Y

L

L

V

Y

Y

A

H

V

A

A

A

A

D

A

L

C

H

D

N

R

R

G

L

Q

N

T

C

S

G

R

-

K

K

D

E

A

A

A

S

G

M

V

A

I

K

L

Q

Y

F

C

A

A

S

E

D

K

A

A

A

T

V

Q

K

V

-

A

A

L

L

D

D

A

A

I

V

Q
|
Q

L
x
I

L

Y

G

G

G
|
G

N

Y

G

G

Y

Y

I

M

N

K

E

D

Y

Y

P

P

T

V

G

E

R

R

L

L

R

R

D

D

A

A

K

K

L

V

Y

T

E

Q

I

I

G
x
Y

A
x
E

G

G

T
|
T

S

N

E
|
E

I

I

R

Q

R

R

M

L

L

I

I

I

G

S

R
x
K

E

Y

L

L

F

L

active site: L122 (≠ M132), T123 (≠ S133), G239 (≠ E249), E358 (≠ A370), K370 (≠ R382)
binding flavin-adenine dinucleotide: L122 (≠ M132), T123 (≠ S133), G128 (= G138), S129 (= S139), F153 (≠ W163), T155 (= T165), R265 (= R275), Q267 (= Q277), F268 (= F278), I272 (= I282), N275 (≠ F285), I278 (≠ V288), Q331 (= Q343), I332 (≠ L344), G335 (= G347), Y357 (≠ G369), T360 (= T372), E362 (= E374)

4l1fA Electron transferring flavoprotein of acidaminococcus fermentans: towards a mechanism of flavin-based electron bifurcation (see paper)
40% identity, 98% coverage: 8:387/389 of query aligns to 1:380/380 of 4l1fA

query
sites
4l1fA

L

M

D

D

F

F

G

N

L
|
L

D

T

D

E

E

D

L

Q

N
x
Q

M

M

L

I

R

K

D

D

Q

M

V

A

N

A

A

E

F

F

A

A

R

E

D

K

E

F

I

L

A

A

P

P

R

T

A

V

A

E

E

E

I

R

D

D

E

K

K

A

N

H

E

I

F

W

P

D

N

R

D

K

L

L

W

I

Q

D

K

K

F

M

G

G

D

E

M

A

G

G

L

F

L

C

G

G

I

I

T

C

V

F

P

P

E

E

D

Y

G

G

T

M

G

G

M

L

G

D

Y

V

L

L

A

S

H

Y

C

I

I

L

A

A

M

V

E

E

I

L

S

S

R

K

A

V

S

D

A

D

S

G

V

T

G

G

L

I

S

T

Y

L

G

S

A

A

H

N

S

V

N

S

L

L

C

C

V

A

N

T

Q

P

L

I

K

Y

I

M

N

F

A

G

N

T

A

E

E

E

Q

Q

K

K

A

Q

K

K

Y

Y

L

L

P

A

K

P

L

I

I

A

S

E

G

G

E

T

H

H

I

V

G

G

A

A

L
x
F

A

G

M
x
L

S
x
T

E

E

P

P

G

S

A

A

G
|
G

S
x
T

D

D

V

A

V

S

S

A

M

Q

K

Q

L

T

R

T

A

A

R

V

Q

L

E

K

G

G

D

D

K

K

Y

Y

I

I

L

L

N

N

G

G

N

S

K

K

M

I

W
x
F

I
|
I

T
|
T

N

N

G

G

P

K

D

E

A

A

D

D

V

T

L

Y

V

V

Y

F

A

A

K

M

T

T

D

D

P

K

E

S

A

Q

G

G

S

V

K
x
H

G

G

I

I

T

S

A

A

F

F

I

I

I

L

E

E

K

K

G

G

M

M

P

P

G

G

F

F

S

R

T

F

A

G

Q

K

K

I

L

E

D

D

K

K

L

M

G

G

M

G

R

H

G

T

S

S

N

I

T

T

C

A

E

E

L

L

V

I

F

F

Q

E

D

D

C

C

E

E

V

V

P

P

V

K

E

E

N

N

V

L

L

L

G

G

D

K

E

E

G

G

K

E

G

G

V
x
F

R

K

V

I

L

A

M
|
M

S
x
E

G

T

L
|
L

D
|
D

Y

G

E
x
G

R
|
R

T

I

V

G

L

V

A

A

G

Q

P

A

I

L

G

G

I

I

M

A

Q

E

A

G

A

A

M

L

D

A

V

A

V

V

P

K

Y

Y

V

S

H

K

E

E

R
|
R

K

E

Q
|
Q

F
|
F

N

G

Q

R

S

S

I
|
I

G

S

E

K

F
|
F

Q

Q

L

A

V
x
L

Q

Q

G

F

K

M

I

M

A

A

D

D

M

M

Y

A

T

T

T

K

L

I

N

E

A

A

C

A

R

R

A

Y

Y

L

L

V

Y

Y

A

H

V

A

A

A

A

M

A

L

C

K

D

N

R

E

G

G

Q

K

T

P

S

Y

R

S

K

E

D

A

A

A

G

M

V

A

I

K

L

C

Y

F

C

A

A

S

E

D

K

V

A

A

T

M

Q

E

V

V

A

T

L

T

D

D

A

A

I

V

Q
|
Q

L
x
I

L

F

G

G

G
|
G

N

Y

G

G

Y

Y

I

T

N

V

E

D

Y

Y

P

P

T

A

G

E

R

R

L

Y

L

M

R

R

D

N

A

A

K

K

L
x
I

Y

T

E

Q

I

I

G
x
Y

A
x
E

G
|
G

T
|
T

S

N

E
x
Q

I

V

R

M

R

R

M

I

L

V

I

T

G

S

R
|
R

E

A

L

L

F

L

N

R

E

D

active site: L125 (≠ M132), T126 (≠ S133), G242 (≠ E249), E363 (≠ A370), R375 (= R382)
binding coenzyme a persulfide: T132 (≠ S139), H179 (≠ K186), F232 (≠ V239), M236 (= M243), E237 (≠ S244), L239 (= L246), D240 (= D247), R243 (= R250), Y362 (≠ G369), E363 (≠ A370), G364 (= G371), R375 (= R382)
binding flavin-adenine dinucleotide: F123 (≠ L130), L125 (≠ M132), T126 (≠ S133), G131 (= G138), T132 (≠ S139), F156 (≠ W163), I157 (= I164), T158 (= T165), R268 (= R275), Q270 (= Q277), F271 (= F278), I275 (= I282), F278 (= F285), L281 (≠ V288), Q336 (= Q343), I337 (≠ L344), G340 (= G347), I358 (≠ L365), Y362 (≠ G369), T365 (= T372), Q367 (≠ E374)
binding 1,3-propandiol: L5 (= L12), Q10 (≠ N17)

P15651 Short-chain specific acyl-CoA dehydrogenase, mitochondrial; SCAD; Butyryl-CoA dehydrogenase; EC 1.3.8.1 from Rattus norvegicus (Rat) (see 2 papers)
40% identity, 98% coverage: 3:385/389 of query aligns to 27:407/412 of P15651

query
sites
P15651

T

T

A

V

Y

Y

K

Q

P

S

L

V

D

E

F

-

G

-

L

L

D

P

D

E

E

T

L

H

N

Q

M

M

L

L

R

R

D

Q

Q

T

V

C

N

R

A

D

F

F

A

A

R

E

D

K

E

E

I

L

A

V

P

P

R

I

A

A

E

Q

I

L

D

D

E

K

K

E

N

H

E

L

F

F

P

P

N

T

D

S

L

Q

W

V

Q

K

K

K

F

M

G

G

D

E

M

L

G

G

L

L

G

A

I

M

T

D

V

V

P

P

E

E

D

L

G

S

G

G

T

A

G

G

M

L

G

D

Y

Y

L

L

A

A

H

Y

C

S

I

I

A

A

M

L

E

E

I

I

S

S

R

R

A

G

S

C

A

A

S

S

V

T

G

G

L

V

S

I

Y

M

G

S

A

V

H

N

S

N

N

S

L

L

C

Y

V

L

N

G

Q

P

L

I

K

L

I

K

N

F

A

G

N

S

A

S

E

Q

Q

Q

K

K

A

Q

K

Q

Y

W

L

I

P

T

K

P

L

F

I

T

S

N

G

G

E

D

H

K

I

I

G

G

A

C

L
x
F

A
|
A

M
x
L

S
|
S

E
|
E

P
|
P

G
|
G

A
x
N

G
|
G

S
|
S

D

D

V

A

V

G

S

A

M

A

K

S

L

T

R

T

A

A

R

R

Q

E

E

E

G

G

D

D

K

S

Y

W

I

V

L

L

N

N

G

G

N

T

K

K

M

A

W
|
W

I
|
I

T
|
T

N

N

G

S

P

W

D

E

A

A

D

S

V

A

L

T

V

V

Y

F

A

A

K

S

T

T

D

D

P

R

E

S

A

R

G

Q

S

N

K

K

G

G

I

I

T

S

A

A

F

F

I

L

I

V

E

P

K

M

G

P

M

T

P

P

G

G

F

L

S

T

T

L

A

G

Q

K

K

K

L

E

D

D

K

K

L

L

G

G

M

I

R

R

G

A

S

S

N

S

T

T

C

A

E

N

L

L

V

I

F

F

Q

E

D

D

C

C

E

R

V

I

P

P

V

K

E

E

N

N

V

L

L

L

G

G

D

E

E

P

G

G

K

M

G

G

V

F

R

K

V

I

L

A

M

M

S

Q

G

T

L

L

D
|
D

Y
x
M

E
x
G

R
|
R

T

I

V

G

L

I

A

A

A

S

G

Q

P

A

I

L

G

G

I

I

M

A

Q

Q

A

A

A

S

M

L

D

D

V

C

V

A

V

V

P

K

Y

Y

V

A

H

E

E

N

R
|
R

K

H

Q

A

F

F

N

G

Q

A

S

P

I

L

G

T

E

K

F

L

Q

Q

L

N

V

I

Q

Q

G

F

K

K

I

L

A

A

D

D

M

M

Y

A

T

L

T

A

L

L

N

E

A

S

C

A

R

R

A

L

Y

L

L

T

Y

W

A

R

V

A

A

A

A

M

A

L

C

K

D

D

R

N

G

K

Q

K

T

P

S

F

R

T

K

K

D

E

A

S

A

A

G

M

V

A

I

K

L

L

Y

A

C

A

A

S

E

E

K

A

A

A

T

T

Q

A

V

I

A

S

L

H

D

Q

A

A

I

I

Q
|
Q

L
x
I

L
|
L

G
|
G

N

M

G

G

Y

Y

I

V

N

T

E

E

Y

M

P

P

T

A

G

E

R

R

L

Y

R

R

D

D

A

A

K

R

L

I

Y

T

E

E

I

I

G

Y

A
x
E

G

G

T
|
T

S
|
S

E
|
E

I

I

R

Q

R

R

M

L

L

V

I

I

G

A

R

G

E

H

L

L

F

L

152:161 (vs. 130:139, 70% identical) binding FAD
S161 (= S139) binding substrate
WIT 185:187 (= WIT 163:165) binding FAD
DMGR 269:272 (≠ DYER 247:250) binding substrate
R297 (= R275) binding FAD
QILGG 365:369 (≠ QLLGG 343:347) binding FAD
E392 (≠ A370) active site, Proton acceptor
TSE 394:396 (= TSE 372:374) binding FAD

Sites not aligning to the query:

1:24 modified: transit peptide, Mitochondrion

1jqiA Crystal structure of rat short chain acyl-coa dehydrogenase complexed with acetoacetyl-coa (see paper)
40% identity, 96% coverage: 12:385/389 of query aligns to 7:380/384 of 1jqiA

query
sites
1jqiA

L

L

D

P

D

E

E

T

L

H

N

Q

M

M

L

L

R

R

D

Q

Q

T

V

C

N

R

A

D

F

F

A

A

R

E

D

K

E

E

I

L

A

V

P

P

R

I

A

A

E

Q

I

L

D

D

E

K

K

E

N

H

E

L

F

F

P

P

N

T

D

S

L

Q

W

V

Q

K

K

K

F

M

G

G

D

E

M

L

G

G

L

L

G

A

I

M

T

D

V

V

P

P

E

E

D

L

G

S

G

G

T

A

G

G

M

L

G

D

Y

Y

L

L

A

A

H

Y

C

S

I

I

A

A

M

L

E

E

I

I

S

S

R

R

A

G

S

C

A

A

S

S

V

T

G

G

L

V

S

I

Y

M

G

S

A

V

H

N

S

N

N

S

L
|
L

C

Y

V

L

N

G

Q

P

L

I

K

L

I

K

N

F

A

G

N

S

A

S

E

Q

Q

Q

K

K

A

Q

K

Q

Y

W

L

I

P

T

K

P

L

F

I

T

S

N

G

G

E

D

H

K

I

I

G

G

A

C

L
x
F

A

A

M
x
L

S
|
S

E

E

P

P

G

G

A

N

G
|
G

S
|
S

D

D

V

A

V

G

S

A

M

A

K

S

L

T

R

T

A

A

R

R

Q

E

E

E

G

G

D

D

K

S

Y

W

I

V

L

L

N

N

G

G

N

T

K

K

M

A

W
|
W

I

I

T
|
T

N

N

G

S

P

W

D

E

A

A

D

S

V

A

L

T

V

V

Y

F

A

A

K

S

T

T

D

D

P

R

E

S

A

R

G

Q

S

N

K

K

G

G

I

I

T

S

A

A

F

F

I

L

I

V

E

P

K

M

G

P

M

T

P

P

G

G

F

L

S

T

T

L

A

G

Q

K

K

K

L

E

D

D

K

K

L

L

G

G

M

I

R

R

G

A

S

S

N

S

T

T

C

A

E

N

L

L

V

I

F

F

Q

E

D

D

C

C

E

R

V

I

P

P

V

K

E

E

N

N

V

L

L

L

G

G

D

E

E

P

G

G

K

M

G

G

V
x
F

R

K

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I

L

A

M
|
M

S
x
Q

G

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L
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L

D
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D

Y

M

E

G

R
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R

T

I

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G

L

I

A

A

A

S

G

Q

P

A

I

L

G

G

I

I

M

A

Q

Q

A

A

A

S

M

L

D

D

V

C

V

A

V

V

P

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Y

Y

V

A

H

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E

N

R
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R

K

H

Q

A

F
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F

N

G

Q

A

S

P

I

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G

T

E

K

F
x
L

Q

Q

L

N

V

I

Q

Q

G

F

K

K

I

L

A

A

D

D

M

M

Y

A

T

L

T

A

L

L

N

E

A

S

C

A

R

R

A

L

Y

L

L

T

Y

W

A

R

V

A

A

A

A

M

A

L

C

K

D

D

R

N

G

K

Q

K

T

P

S

F

R

T

K

K

D

E

A

S

A

A

G

M

V

A

I

K

L

L

Y

A

C

A

A

S

E

E

K

A

A

A

T

T

Q

A

V

I

A

S

L

H

D

Q

A

A

I

I

Q
|
Q

L
x
I

L

L

G

G

G
|
G

N

M

G

G

Y

Y

I

V

N

T

E

E

Y

M

P

P

T

A

G

E

R

R

L

Y

R

R

D

D

A

A

K

R

L
x
I

Y

T

E

E

I

I

G
x
Y

A
x
E

G
|
G

T
|
T

S

S

E
|
E

I
|
I

R

Q

R

R

M

L

L

V

I

I

G

A

R
x
G

E

H

L

L

F

L

active site: G377 (≠ R382)
binding acetoacetyl-coenzyme a: L95 (= L100), F125 (≠ L130), S134 (= S139), F234 (≠ V239), M238 (= M243), Q239 (≠ S244), L241 (= L246), D242 (= D247), R245 (= R250), Y364 (≠ G369), E365 (≠ A370), G366 (= G371)
binding flavin-adenine dinucleotide: F125 (≠ L130), L127 (≠ M132), S128 (= S133), G133 (= G138), S134 (= S139), W158 (= W163), T160 (= T165), R270 (= R275), F273 (= F278), L280 (≠ F285), Q338 (= Q343), I339 (≠ L344), G342 (= G347), I360 (≠ L365), T367 (= T372), E369 (= E374), I370 (= I375)

P16219 Short-chain specific acyl-CoA dehydrogenase, mitochondrial; SCAD; Butyryl-CoA dehydrogenase; EC 1.3.8.1 from Homo sapiens (Human) (see 3 papers)
40% identity, 99% coverage: 3:389/389 of query aligns to 27:411/412 of P16219

query
sites
P16219

T

T

A

I

Y

Y

K

Q

P

S

L

V

D

E

F

-

G

-

L

L

D

P

D

E

E

T

L

H

N

Q

M

M

L

L

R

L

D

Q

Q

T

V

C

N

R

A

D

F

F

A

A

R

E

D

K

E

E

I

L

A

F

P

P

R

I

A

A

E

Q

I

V

D

D

E

K

K

E

N

H

E

L

F

F

P

P

N

A

D

A

L

Q

W

V

Q

K

K

K

F

M

G

G

D

G

M

L

G

G

L

L

G

A

I

M

T

D

V

V

P

P

E

E

D

L

G

G

G
|
G

T

A

G

G

M

L

G

D

Y

Y

L

L

A

A

H

Y

C

A

I

I

A

A

M

M

E

E

E
|
E

I

I

S

S

R

R

A

G

S

C

A

A

S

S

V

T

G

G

L

V

S

I

Y

M

G

S

A

V

H

N

S

N

N

S

L

L

C

Y

V

L

N

G

Q

P

L

I

K

L

I

K

N

F

A

G

N

S

A

K

E

E

Q

Q

K

K

A

Q

K

A

Y

W

L

V

P

T

K

P

L

F

I

T

S

S

G

G

E

D

H

K

I

I

G

G

A

C

L
x
F

A
|
A

M
x
L

S
|
S

E
|
E

P
|
P

G
|
G

A
x
N

G
|
G

S
|
S

D

D

V

A

V

G

S

A

M

A

K

S

L

T

R

T

A

A

R
|
R

Q

A

E

E

G

G

D

D

K

S

Y

W

I

V

L

L

N

N

G

G

N

T

K

K

M

A

W
|
W

I
|
I

T
|
T

N

N

G

A

P

W

D

E

A
|
A

D

S

V

A

L

A

V

V

Y

F

A

A

K

S

T

T

D

D

P

R

E

A

A

L

G

Q

S

N

K

K

G
|
G

I

I

T

S

A

A

F

F

I

L

I

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E

P

K

M

G

P

M

T

P

P

G

G

F

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T

L

A

G

Q

K

K

K

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E

D

D

K

K

L

L

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M

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A

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R

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Q

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A

D

D

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Y

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T

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T

A

L

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R

A

L

Y

L

L

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Y

W

A

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A

A

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A

M

A

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D

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A

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A

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A
x
S

E

E

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A

A

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T

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A

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D

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A

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Q

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x
I

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L

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G

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G

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Y

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E

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R

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H

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R

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D

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A

K

R

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I

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T

E

E

I

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Y

A

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G

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T

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E

I

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Q

R

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M

L

L

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L

L

F

L

N

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Y

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R

G90 (= G68) to S: in ACADSD; loss of acyl-CoA dehydrogenase activity; dbSNP:rs121908005
E104 (= E82) natural variant: Missing (in ACADSD; loss of acyl-CoA dehydrogenase activity; dbSNP:rs387906308)
152:161 (vs. 130:139, 70% identical) binding in other chain
R171 (= R149) to W: 69% of wild-type acyl-CoA dehydrogenase activity; confers susceptibility to ethylmalonicaciduria; dbSNP:rs1800556
WIT 185:187 (= WIT 163:165) binding in other chain
A192 (= A170) to V: in ACADSD; loss of acyl-CoA dehydrogenase activity; dbSNP:rs28940874
G209 (= G187) to S: 86% of wild-type acyl-CoA dehydrogenase activity; confers susceptibility to ethylmalonicaciduria; dbSNP:rs1799958
R297 (= R275) binding FAD
Q308 (= Q286) binding in other chain
R325 (= R303) to W: in ACADSD; loss of acyl-CoA dehydrogenase activity; dbSNP:rs121908006
S353 (≠ A331) to L: in ACADSD; loss of acyl-CoA dehydrogenase activity; dbSNP:rs28941773
QILGG 365:369 (≠ QLLGG 343:347) binding FAD
R380 (= R358) to W: in ACADSD; loss of acyl-CoA dehydrogenase activity; dbSNP:rs28940875
TSE 394:396 (= TSE 372:374) binding in other chain

Sites not aligning to the query:

1:24 modified: transit peptide, Mitochondrion

8sgsA Human liver mitochondrial short-chain specific acyl-coa dehydrogenase (see paper)
40% identity, 97% coverage: 12:389/389 of query aligns to 4:381/381 of 8sgsA

query
sites
8sgsA

L

L

D

P

D

E

E

T

L

H

N

Q

M

M

L

L

R

L

D

Q

Q

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V

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N

R

A

D

F

F

A

A

R

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D

K

E

E

I

L

A

F

P

P

R

I

A

A

E

Q

I

V

D

D

E

K

K

E

N

H

E

L

F

F

P

P

N

A

D

A

L

Q

W

V

Q

K

K

K

F

M

G

G

D

G

M

L

G

G

L

L

G

A

I

M

T

D

V

V

P

P

E

E

D

L

G

G

T

A

G

G

M

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G

D

Y

Y

L

L

A

A

H

Y

C

A

I

I

A

A

M

M

E

E

I

I

S

S

R

R

A

G

S

C

A

A

S

S

V

T

G

G

L

V

S

I

Y

M

G

S

A

V

H

N

S

N

N

S

L

L

C

Y

V

L

N

G

Q

P

L

I

K

L

I

K

N

F

A

G

N

S

A

K

E

E

Q

Q

K

K

A

Q

K

A

Y

W

L

V

P

T

K

P

L

F

I

T

S

S

G

G

E

D

H

K

I

I

G

G

A

C

L
x
F

A

A

M
x
L

S
|
S

E

E

P

P

G

G

A

N

G
|
G

S
|
S

D

D

V
x
A

V

G

S

A

M

A

K

S

L

T

R

T

A

A

R

R

Q

A

E

E

G

G

D

D

K

S

Y

W

I

V

L

L

N

N

G

G

N

T

K

K

M

A

W
|
W

I

I

T
|
T

N

N

G

A

P

W

D

E

A

A

D

S

V

A

L

A

V

V

Y

F

A

A

K

S

T

T

D

D

P

R

E

A

A

L

G

Q

S
x
N

K

K

G

G

I

I

T

S

A

A

F

F

I

L

I

V

E

P

K

M

G

P

M

T

P

P

G

G

F

L

S

T

T

L

A

G

Q

K

K

K

L

E

D

D

K

K

L

L

G

G

M

I

R

R

G

G

S

S

N

S

T

T

C

A

E

N

L

L

V

I

F

F

Q

E

D

D

C

C

E

R

V

I

P

P

V

K

E

D

N

S

V

I

L

L

G

G

D

E

E

P

G

G

K

M

G

G

V
x
F

R

K

V

I

L

A

M
|
M

S

Q

G

T

L
|
L

D

D

Y

M

E

G

R

R

T

I

V

G

L

I

A

A

A

S

G

Q

P

A

I

L

G

G

I

I

M

A

Q

Q

A

T

A

A

M

L

D

D

V

C

V

A

V

V

P

N

Y

Y

V

A

H

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E

N

R
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R

K

M

Q

A

F
|
F

N

G

Q

A

S

P

I
x
L

G

T

E

K

F
x
L

Q

Q

L

V

V

I

Q

Q

G

F

K

K

I

L

A

A

D

D

M

M

Y

A

T

L

T

A

L

L

N

E

A

S

C

A

R

R

A

L

Y

L

L

T

Y

W

A

R

V

A

A

A

A

M

A

L

C

K

D

D

R

N

G

K

Q

K

T

P

S

F

R
x
I

K

K

D

E

A

A

G

M

V

A

I

K

L

L

Y

A

C

A

A

S

E

E

K

A

A

A

T

T

Q

A

V

I

A

S

L

H

D

Q

A

A

I

I

Q
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Q

L
x
I

L

L

G
|
G

N

M

G

G

Y

Y

I

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N

T

E

E

Y

M

P

P

T

A

G

E

R

R

L

H

L

Y

R

R

D

D

A

A

K

R

L
x
I

Y

T

E

E

I
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I

G
x
Y

A
x
E

G
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G

T
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T

S

S

E
|
E

I

I

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Q

R

R

M

L

L

V

I

I

G

A

R

G

E

H

L

L

F

L

N

R

E

S

S

Y

K

R

binding coenzyme a: S131 (= S139), A133 (≠ V141), N177 (≠ S185), F231 (≠ V239), M235 (= M243), L238 (= L246), I312 (≠ R320), E362 (≠ A370), G363 (= G371)
binding flavin-adenine dinucleotide: F122 (≠ L130), L124 (≠ M132), S125 (= S133), G130 (= G138), S131 (= S139), W155 (= W163), T157 (= T165), R267 (= R275), F270 (= F278), L274 (≠ I282), L277 (≠ F285), Q335 (= Q343), I336 (≠ L344), G338 (= G346), G339 (= G347), I357 (≠ L365), I360 (= I368), Y361 (≠ G369), T364 (= T372), E366 (= E374)

7y0aC Crystal structure of human short-chain acyl-coa dehydrogenase
40% identity, 99% coverage: 3:389/389 of query aligns to 3:387/387 of 7y0aC

query
sites
7y0aC

T

T

A

I

Y

Y

K

Q

P

S

L

V

D

E

F

-

G

-

L

L

D

P

D

E

E

T

L

H

N

Q

M

M

L

L

R

L

D

Q

Q

T

V

C

N

R

A

D

F

F

A

A

R

E

D

K

E

E

I

L

A

F

P

P

R

I

A

A

E

Q

I

V

D

D

E

K

K

E

N

H

E

L

F

F

P

P

N

A

D

A

L

Q

W

V

Q

K

K

K

F

M

G

G

D

G

M

L

G

G

L

L

G

A

I

M

T

D

V

V

P

P

E

E

D

L

G

G

T

A

G

G

M

L

G

D

Y

Y

L

L

A

A

H

Y

C

A

I

I

A

A

M

M

E

E

I

I

S

S

R

R

A

G

S

C

A

A

S

S

V

T

G

G

L

V

S

I

Y

M

G

S

A

V

H

N

S

N

N

S

L

L

C

Y

V

L

N

G

Q

P

L

I

K

L

I

K

N

F

A

G

N

S

A

K

E

E

Q

Q

K

K

A

Q

K

A

Y

W

L

V

P

T

K

P

L

F

I

T

S

S

G

G

E

D

H

K

I

I

G

G

A

C

L
x
F

A

A

M
x
L

S
|
S

E

E

P

P

G

G

A

N

G
|
G

S
|
S

D

D

V

A

V

G

S

A

M

A

K

S

L

T

R

T

A

A

R

R

Q

A

E

E

G

G

D

D

K

S

Y

W

I

V

L

L

N

N

G

G

N

T

K

K

M

A

W
|
W

I

I

T
|
T

N

N

G

A

P

W

D

E

A

A

D

S

V

A

L

A

V

V

Y

F

A

A

K

S

T

T

D

D

P

R

E

A

A

L

G

Q

S

N

K

K

G

G

I

I

T

S

A

A

F

F

I

L

I

V

E

P

K

M

G

P

M

T

P

P

G

G

F

L

S

T

T

L

A

G

Q

K

K

K

L

E

D

D

K

K

L

L

G

G

M

I

R

R

G

G

S

S

N

S

T
|
T

C

A

E

N

L

L

V

I

F

F

Q

E

D

D

C

C

E

R

V

I

P

P

V

K

E

D

N

S

V

I

L

L

G

G

D

E

E

P

G

G

K

M

G

G

V

F

R

K

V

I

L

A

M

M

S

Q

G

T

L

L

D

D

Y

M

E

G

R

R

T

I

V

G

L

I

A

A

A

S

G

Q

P

A

I

L

G

G

I

I

M

A

Q

Q

A

T

A

A

M

L

D

D

V

C

V

A

V

V

P

N

Y

Y

V

A

H

E

E

N

R
|
R

K

M

Q

A

F
|
F

N

G

Q

A

S

P

I
x
L

G

T

E

K

F
x
L

Q

Q

L
x
V

V

I

Q

Q

G

F

K

K

I

L

A

A

D

D

M

M

Y

A

T

L

T

A

L

L

N

E

A

S

C

A

R

R

A

L

Y

L

L

T

Y

W

A

R

V

A

A

A

A

M

A

L

C

K

D

D

R

N

G

K

Q

K

T

P

S

F

R

I

K

K

D

E

A

A

G

M

V

A

I

K

L

L

Y

A

C

A

A

S

E

E

K

A

A

A

T

T

Q

A

V

I

A

S

L

H

D

Q

A

A

I

I

Q
|
Q

L
x
I

L

L

G

G

G
|
G

N

M

G

G

Y

Y

I

V

N

T

E

E

Y

M

P

P

T

A

G

E

R

R

L

H

L

Y

R

R

D

D

A

A

K

R

L
x
I

Y

T

E

E

I

I

G
x
Y

A

E

G

G

T
|
T

S

S

E
|
E

I

I

R

Q

R

R

M
x
L

L

V

I

I

G

A

R

G

E

H

L

L

F

L

N

R

E

S

S

Y

K

R

binding flavin-adenine dinucleotide: F128 (≠ L130), L130 (≠ M132), S131 (= S133), G136 (= G138), S137 (= S139), W161 (= W163), T163 (= T165), T214 (= T216), R273 (= R275), F276 (= F278), L280 (≠ I282), L283 (≠ F285), V285 (≠ L287), Q341 (= Q343), I342 (≠ L344), G345 (= G347), I363 (≠ L365), Y367 (≠ G369), T370 (= T372), E372 (= E374), L376 (≠ M378)

7y0bA Crystal structure of human short-chain acyl-coa dehydrogenase
40% identity, 97% coverage: 12:389/389 of query aligns to 7:384/385 of 7y0bA

query
sites
7y0bA

L

L

D

P

D

E

E

T

L

H

N

Q

M

M

L

L

R

L

D

Q

Q

T

V

C

N

R

A

D

F

F

A

A

R

E

D

K

E

E

I

L

A

F

P

P

R

I

A

A

E

Q

I

V

D

D

E

K

K

E

N

H

E

L

F

F

P

P

N

A

D

A

L

Q

W

V

Q

K

K

K

F

M

G

G

D

G

M

L

G

G

L

L

G

A

I

M

T

D

V

V

P

P

E

E

D

L

G

G

T

A

G

G

M

L

G

D

Y

Y

L

L

A

A

H

Y

C

A

I

I

A

A

M

M

E

E

I

I

S

S

R

R

A

G

S

C

A

A

S

S

V

T

G

G

L

V

S

I

Y

M

G

S

A

V

H

N

S

N

N

S

L

L

C

Y

V

L

N

G

Q

P

L

I

K

L

I

K

N

F

A

G

N

S

A

K

E

E

Q

Q

K

K

A

Q

K

A

Y

W

L

V

P

T

K

P

L

F

I

T

S

S

G

G

E

D

H

K

I

I

G

G

A

C

L
x
F

A

A

M
x
L

S
|
S

E

E

P

P

G

G

A

N

G
|
G

S
|
S

D

D

V

A

V

G

S

A

M

A

K

S

L

T

R

T

A

A

R

R

Q

A

E

E

G

G

D

D

K

S

Y

W

I

V

L

L

N

N

G

G

N

T

K

K

M

A

W
|
W

I

I

T
|
T

N

N

G

A

P

W

D

E

A

A

D

S

V

A

L

A

V

V

Y

F

A

A

K

S

T

T

D

D

P

R

E

A

A

L

G

Q

S

N

K

K

G

G

I

I

T

S

A

A

F

F

I

L

I

V

E

P

K

M

G

P

M

T

P

P

G

G

F

L

S

T

T

L

A

G

Q

K

K

K

L

E

D

D

K

K

L

L

G

G

M

I

R

R

G

G

S

S

N

S

T

T

C

A

E

N

L

L

V

I

F

F

Q

E

D

D

C

C

E

R

V

I

P

P

V

K

E

D

N

S

V

I

L

L

G

G

D

E

E

P

G

G

K

M

G

G

V

F

R

K

V

I

L

A

M

M

S

Q

G

T

L

L

D

D

Y

M

E

G

R

R

T

I

V

G

L

I

A

A

A

S

G

Q

P

A

I

L

G

G

I

I

M

A

Q

Q

A

T

A

A

M

L

D

D

V

C

V

A

V

V

P

N

Y

Y

V

A

H

E

E

N

R
|
R

K

M

Q

A

F
|
F

N

G

Q

A

S

P

I

L

G

T

E

K

F
x
L

Q

Q

L
x
V

V

I

Q

Q

G

F

K

K

I

L

A

A

D

D

M

M

Y

A

T

L

T

A

L

L

N

E

A

S

C

A

R

R

A

L

Y

L

L

T

Y

W

A

R

V

A

A

A

A

M

A

L

C

K

D

D

R

N

G

K

Q

K

T

P

S

F

R

I

K

K

D

E

A

A

G

M

V

A

I

K

L

L

Y

A

C

A

A

S

E

E

K

A

A

A

T

T

Q

A

V

I

A

S

L

H

D

Q

A

A

I

I

Q
|
Q

L
x
I

L

L

G

G

G
|
G

N
x
M

G

G

Y

Y

I

V

N
x
T

E
|
E

Y

M

P

P

T

A

G

E

R

R

L

H

L

Y

R

R

D

D

A

A

K

R

L
x
I

Y

T

E

E

I

I

G
x
Y

A

E

G

G

T
|
T

S

S

E
|
E

I
|
I

R

Q

R

R

M
x
L

L

V

I

I

G

A

R

G

E

H

L

L

F

L

N

R

E

S

S

Y

K

R

binding (2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol: M343 (≠ N348), T347 (≠ N352), E348 (= E353)
binding flavin-adenine dinucleotide: F125 (≠ L130), L127 (≠ M132), S128 (= S133), G133 (= G138), S134 (= S139), W158 (= W163), T160 (= T165), R270 (= R275), F273 (= F278), L280 (≠ F285), V282 (≠ L287), Q338 (= Q343), I339 (≠ L344), G342 (= G347), I360 (≠ L365), Y364 (≠ G369), T367 (= T372), E369 (= E374), I370 (= I375), L373 (≠ M378)

1ukwB Crystal structure of medium-chain acyl-coa dehydrogenase from thermus thermophilus hb8
40% identity, 97% coverage: 8:385/389 of query aligns to 1:377/379 of 1ukwB

query
sites
1ukwB

L

I

D

D

F

F

G

S

L

L

D

T

D

E

E

E

L

Q

N

R

M

Q

L

L

R

Q

D

A

Q

L

V

A

N

R

A

R

F

F

A

A

R

K

D

E

E

V

I

I

A

L

P

P

R

V

A

A

A

Q

E

E

I

Y

D

D

E

E

K

K

N

E

E

E

F

V

P

P

N

W

D

P

L

V

W

I

Q

E

K

K

F

L

G

H

D

E

M

V

G

G

L

L

G

N

I

A

T

I

V

I

P

P

E

E

D

Y

G

G

T

M

G

G

M

L

G

K

Y

M

L

L

A

D

H

E

C

V

I

I

A

V

M

G

E

E

I

L

S

A

R

Y

A

A

S

C

A

M

S

G

V

I

G

-

L

Y

S

T

Y

I

G

P

A

M

H

A

S

S

N

D

L

L

C

G

V

I

N

T

Q

P

L

V

K

L

I

L

N

A

A

G

N

T

A

E

E

E

Q

Q

K

K

A

E

K

R

Y

F

L

L

P

R

K

P

L

L

I

T

S

E

G

K

E

P

H

A

I

L

G

A

A

A

L
x
F

A

A

M
x
L

S
|
S

E

E

P

P

G

G

A

N

G
|
G

S
|
S

D

D

V

A

S

A

M

L

K

K

L

T

R

R

A

A

R

I

Q

R

E

Q

G

G

D
|
D

K
x
H

Y

Y

I

V

L

L

N

N

G

G

N

T

K

K

M

M

W
|
W

I

I

T
x
S

N

N

G

G

P

G

D

E

A

A

D

E

V

W

L

V

V

V

Y

F

A

A

K

T

T

V

D

N

P

P

E

E

A

L

G

R

S

H

K

K

G

G

I

V

T

V

A

A

F

L

I

V

E

E

K

R

G

G

M

T

P

P

G

G

F

F

S

K

T

A

A

I

Q

K

K

I

L

H

D

G

K
|
K

L

M

G

G

M

Q

R

R

G

A

S

S

N

G

T

T

C

Y

E

E

L

L

V

V

F

F

Q

E

D

D

C

V

E

K

V

V

P

P

V

V

E

E

N

N

V

R

L

L

G

G

D

E

E

E

G

G

K

E

G

G

V

F

R

K

V

I

L

A

M

M

S

Q

G

T

L

L

D

N

Y

K

E
x
T

R

R

T

I

V

P

L

V

A

A

G

G

P

S

I

V

G

G

I

V

M

A

Q

R

A

R

A

A

M

L

D

D

V

E

V

A

V

R

P

K

Y

Y

V

A

H

K

E

E

R

R

K

E

Q

A

F

F

N

G

Q

E

S

P

I

I

G

A

E

N

F

F

Q

Q

L

A

V

I

Q

Q

G

F

K

K

I

L

A

V

D

D

M

M

Y

L

T

I

T

G

L

I

N

E

A

T

C

A

R

R

A

M

Y

Y

L

T

Y

Y

A

Y

V

A

A

A

A

W

A

L

C

A

D

D

R

Q

G

G

Q

L

T

P

S

H

R

A

K

H

D

A

A

S

A

A

G

I

V

A

I

K

L

A

Y

Y

C

A

A

S

E

E

K

I

A

A

T

F

Q

E

V

A

A

A

L

N

D

Q

A

A

I

I

Q

Q

L

I

L

H

G

G

N

Y

G

G

Y

Y

I

V

N

R

E

E

Y

F

P

P

T

V

G

E

R

K

L

L

R

R

D

D

A

V

K

K

L
|
L

Y

N

E

Q

I

I

G
x
Y

A
x
E

G

G

T
|
T

S

N

E
|
E

I

I

R

Q

R

R

M
x
L

L

I

I

I

G

A

R
|
R

E

H

L

I

F

L

active site: L124 (≠ M132), S125 (= S133), T241 (≠ E249), E362 (≠ A370), R374 (= R382)
binding cobalt (ii) ion: D145 (= D153), H146 (≠ K154)
binding flavin-adenine dinucleotide: F122 (≠ L130), L124 (≠ M132), S125 (= S133), G130 (= G138), S131 (= S139), W155 (= W163), S157 (≠ T165), K200 (= K208), L357 (= L365), Y361 (≠ G369), E362 (≠ A370), T364 (= T372), E366 (= E374), L370 (≠ M378)

1ukwA Crystal structure of medium-chain acyl-coa dehydrogenase from thermus thermophilus hb8
40% identity, 97% coverage: 8:385/389 of query aligns to 1:377/379 of 1ukwA

query
sites
1ukwA

L

I

D

D

F

F

G

S

L

L

D

T

D

E

E

E

L

Q

N

R

M

Q

L

L

R

Q

D

A

Q

L

V

A

N

R

A

R

F

F

A

A

R

K

D

E

E

V

I

I

A

L

P

P

R

V

A

A

A

Q

E

E

I

Y

D

D

E

E

K

K

N

E

E

E

F

V

P

P

N

W

D

P

L

V

W

I

Q

E

K

K

F

L

G

H

D

E

M

V

G

G

L

L

G

N

I

A

T

I

V

I

P

P

E

E

D

Y

G

G

T

M

G

G

M

L

G

K

Y

M

L

L

A

D

H

E

C

V

I

I

A

V

M

G

E

E

I

L

S

A

R

Y

A

A

S

C

A

M

S

G

V

I

G

-

L

Y

S

T

Y

I

G

P

A

M

H

A

S

S

N

D

L

L

C

G

V

I

N

T

Q

P

L

V

K

L

I

L

N

A

A

G

N

T

A

E

E

E

Q

Q

K

K

A

E

K

R

Y

F

L

L

P

R

K

P

L

L

I

T

S

E

G

K

E

P

H

A

I

L

G

A

A

A

L
x
F

A

A

M
x
L

S
|
S

E

E

P

P

G

G

A

N

G
|
G

S
|
S

D

D

V

A

S

A

M

L

K

K

L

T

R

R

A

A

R

I

Q

R

E

Q

G

G

D

D

K

H

Y

Y

I

V

L

L

N

N

G

G

N

T

K

K

M

M

W
|
W

I

I

T
x
S

N

N

G

G

P

G

D

E

A

A

D

E

V

W

L

V

V

V

Y

F

A

A

K

T

T

V

D

N

P

P

E

E

A

L

G

R

S

H

K

K

G

G

I

V

T

V

A

A

F

L

I

V

E

E

K

R

G

G

M

T

P

P

G

G

F

F

S

K

T

A

A

I

Q

K

K

I

L

H

D

G

K

K

L

M

G

G

M

Q

R

R

G

A

S

S

N

G

T

T

C

Y

E

E

L

L

V

V

F

F

Q

E

D

D

C

V

E

K

V

V

P

P

V

V

E

E

N

N

V

R

L

L

G

G

D

E

E

E

G

G

K

E

G

G

V

F

R

K

V

I

L

A

M

M

S

Q

G

T

L

L

D

N

Y

K

E
x
T

R

R

T

I

V

P

L

V

A

A

G

G

P

S

I

V

G

G

I

V

M

A

Q

R

A

R

A

A

M

L

D

D

V

E

V

A

V

R

P

K

Y

Y

V

A

H

K

E

E

R

R

K

E

Q

A

F

F

N

G

Q

E

S

P

I

I

G

A

E

N

F

F

Q

Q

L

A

V

I

Q

Q

G

F

K

K

I

L

A

V

D

D

M

M

Y

L

T

I

T

G

L

I

N

E

A

T

C

A

R

R

A

M

Y

Y

L

T

Y

Y

A

Y

V

A

A

A

A

W

A

L

C

A

D

D

R

Q

G

G

Q

L

T

P

S

H

R

A

K

H

D

A

A

S

A

A

G

I

V

A

I

K

L

A

Y

Y

C

A

A

S

E

E

K

I

A

A

T

F

Q

E

V

A

A

A

L

N

D

Q

A

A

I

I

Q

Q

L

I

L

H

G

G

N

Y

G

G

Y

Y

I

V

N

R

E

E

Y

F

P

P

T

V

G

E

R

K

L

L

R

R

D

D

A

V

K

K

L
|
L

Y

N

E

Q

I

I

G
x
Y

A
x
E

G

G

T
|
T

S

N

E
|
E

I

I

R

Q

R

R

M
x
L

L

I

I

I

G

A

R
|
R

E

H

L

I

F

L

active site: L124 (≠ M132), S125 (= S133), T241 (≠ E249), E362 (≠ A370), R374 (= R382)
binding flavin-adenine dinucleotide: F122 (≠ L130), L124 (≠ M132), S125 (= S133), G130 (= G138), S131 (= S139), W155 (= W163), S157 (≠ T165), L357 (= L365), Y361 (≠ G369), E362 (≠ A370), T364 (= T372), E366 (= E374), L370 (≠ M378)

2vigB Crystal structure of human short-chain acyl coa dehydrogenase
40% identity, 97% coverage: 12:389/389 of query aligns to 1:371/371 of 2vigB

query
sites
2vigB

L

L

D

P

D

E

E

T

L

H

N

Q

M

M

L

L

R

L

D

Q

Q

T

V

C

N

R

A

D

F

F

A

A

R

E

D

K

E

E

I

L

A

F

P

P

R

I

A

A

E

Q

I

V

D

D

E

K

K

E

N

H

E

L

F

F

P

P

N

A

D

A

L

Q

W

V

Q

K

K

K

F

M

G

G

D

G

M

L

G

G

L

L

G

A

I

M

T

D

V

V

P

P

E

E

D

L

G

G

T

A

G

G

M

L

G

D

Y

Y

L

L

A

A

H

Y

C

A

I

I

A

A

M

M

E

E

I

I

S

S

R

R

A

G

S

C

A

A

S

S

V

T

G

G

L

V

S

I

Y

M

G

S

A

V

H

N

S

N

N

S

L

L

C

Y

V

L

N

G

Q

P

L

I

K

L

I

K

N

F

A

G

N

S

A

K

E

E

Q

Q

K

K

A

Q

K

A

Y

W

L

V

P

T

K

P

L

F

I

T

S

S

G

G

E

D

H

K

I

I

G

G

A

C

L

F

A

A

M
x
L

S
|
S

E

E

P

P

G

G

A

N

G
|
G

S
|
S

D

D

V

A

V

G

S

A

M

A

K

S

L

T

R

T

A

A

R

R

Q

A

E

E

G

G

D

D

K

S

Y

W

I

V

L

L

N

N

G

G

N

T

K

K

M

A

W
|
W

I

I

T
|
T

N

N

G

A

P

W

D

E

A

A

D

S

V

A

L

A

V

V

Y

F

A

A

K

S

T

T

D

S

P

-

E

-

A

-

G

-

S

-

K

-

G

-

I

I

T

S

A

A

F

F

I

L

I

V

E

P

K

M

G

P

M

T

P

P

G

G

F

L

S

T

T

L

A

G

Q

K

K

K

L

E

D

D

K

K

L

L

G

G

M

I

R

R

G

G

S

S

N

S

T

T

C

A

E

N

L

L

V

I

F

F

Q

E

D

D

C

C

E

R

V

I

P

P

V

K

E

D

N

S

V

I

L

L

G

G

D

E

E

P

G

G

K

M

G

G

V
x
F

R

K

V

I

L

A

M
|
M

S
x
Q

G

T

L
|
L

D
|
D

Y

M

E
x
G

R
|
R

T

I

V

G

L

I

A

A

A

S

G

Q

P

A

I

L

G

G

I

I

M

A

Q

Q

A

T

A

A

M

L

D

D

V

C

V

A

V

V

P

N

Y

Y

V

A

H

E

E

N

R
|
R

K

M

Q

A

F
|
F

N

G

Q

A

S

P

I
x
L

G

T

E

K

F
x
L

Q

Q

L

V

V

I

Q

Q

G

F

K

K

I

L

A

A

D

D

M

M

Y

A

T

L

T

A

L

L

N

E

A

S

C

A

R

R

A

L

Y

L

L

T

Y

W

A

R

V

A

A

A

A

M

A

L

C

K

D

D

R

N

G

K

Q

K

T

P

S

F

R

I

K

K

D

E

A

A

G

M

V

A

I

K

L

L

Y

A

C

A

A

S

E

E

K

A

A

A

T

T

Q

A

V

I

A

S

L

H

D

Q

A

A

I

I

Q
|
Q

L
x
I

L

L

G

G

G
|
G

N

M

G

G

Y

Y

I

V

N

T

E

E

Y

M

P

P

T

A

G

E

R

R

L

H

L

Y

R

R

D

D

A

A

K

R

L
x
I

Y

T

E

E

I

I

G
x
Y

A
x
E

G
|
G

T
|
T

S

S

E
|
E

I
|
I

R

Q

R

R

M

L

L

V

I

I

G

A

R
x
G

E

H

L

L

F

L

N

R

E

S

S

Y

K

R

active site: L121 (≠ M132), S122 (= S133), G231 (≠ E249), E352 (≠ A370), G364 (≠ R382)
binding coenzyme a persulfide: S128 (= S139), F221 (≠ V239), M225 (= M243), Q226 (≠ S244), L228 (= L246), D229 (= D247), R232 (= R250), E352 (≠ A370), G353 (= G371), I357 (= I375)
binding flavin-adenine dinucleotide: L121 (≠ M132), S122 (= S133), G127 (= G138), S128 (= S139), W152 (= W163), T154 (= T165), R257 (= R275), F260 (= F278), L264 (≠ I282), L267 (≠ F285), Q325 (= Q343), I326 (≠ L344), G329 (= G347), I347 (≠ L365), Y351 (≠ G369), T354 (= T372), E356 (= E374)

3pfdC Crystal structure of an acyl-coa dehydrogenase from mycobacterium thermoresistibile bound to reduced flavin adenine dinucleotide solved by combined iodide ion sad mr (see paper)
40% identity, 95% coverage: 19:386/389 of query aligns to 4:369/369 of 3pfdC

query
sites
3pfdC

L

L

R

R

D

E

Q

A

V

I

N

R

A

A

F

L

A

A

R

E

D

K

E

E

I

I

A

A

P

P

R

Y

A

A

E

E

I

V

D

D

E

E

K

K

N

A

E

R

F

F

P

P

N

E

D

E

L

A

W

L

Q

A

K

A

F

L

G

N

D

S

M

S

G

G

L

F

L

S

G

A

I

I

T

H

V

V

P

P

E

E

D

Y

G

G

T

Q

G

G

M

A

G

D

Y

S

L

V

A

A

H

T

C

C

I

I

A

V

M

I

E

E

I

V

S

A

R

R

A

V

S

D

A

C

S

S

V

A

G

S

L

L

S

-

Y

I

G

P

A

A

H

V

S

N

N

K

L

L

C

G

V

T

N

M

Q

G

L

L

K

I

I

L

N

R

A

G

N

S

A

E

E

E

Q

L

K

K

A

K

K

Q

Y

V

L

L

P

P

K

A

L

V

I

A

S

S

G

G

E

E

H

A

I

M

G

A

A

S

L
x
Y

A

A

M
x
L

S
|
S

E

E

P

R

G

E

A

A

G
|
G

S
|
S

D

D

V

A

S

S

M

M

K

R

L

T

R

R

A

A

R

V

Q

A

E

D

G

G

D

D

K

D

Y

W

I

I

L

L

N

N

G

G

N

S

K

K

M

C

W
|
W

I
|
I

T
|
T

N

N

G

G

P

G

D

K

A

S

D

T

V

W

L

Y

V

T

V

V

Y

M

A

A

K

V

T

T

D

D

P

P

E

D

A

K

G

G

S

A

K

N

G

G

I

I

T

S

A

A

F

F

I

M

I

V

E

H

K

K

G

D

M

D

P

E

G

G

F

F

S

T

T

V

A

G

Q

P

K

K

L

E

D

R

K

K

L

L

G

G

M

I

R

K

G

G

S

S

N

P

T

T

C

T

E

E

L

L

V

Y

F

F

Q

E

D

N

C

C

E

R

V

I

P

P

V

G

E

D

N

R

V

I

L

I

G

G

D

E

E

P

G

G

K

T

G

G

V

F

R

K

V

T

L

A

M

L

S

A

G

T

L

L

D

D

Y

H

E
x
T

R

R

T

P

V

T

L

I

A

G

A

A

G

Q

P

A

I

V

G

G

I

I

M

A

Q

Q

A

G

A

A

M

L

D

D

V

A

V

I

P

A

Y

Y

V

T

H

K

E

E

R
|
R

K

K

Q

Q

F
|
F

N

G

Q

R

S

P

I
x
V

G

S

E

D

F
x
N

Q

Q

L

G

V

V

Q

Q

G

F

K

M

I

L

A

A

D

D

M

M

Y

A

T

M

T

K

L

I

N

E

A

A

C

A

R

R

A

L

Y

M

L

V

Y

Y

A

S

V

A

A

A

A

R

C

A

D

E

R

R

G

G

Q

D

T

L

S

G

R

F

K

I

D

S

A

A

G

S

V

K

I

-

L

C

Y

F

C

A

A

S

E

D

K

V

A

A

T

M

Q

E

V

V

A

T

L

T

D

D

A

A

I

V

Q
|
Q

L
|
L

L

F

G

G

G
|
G

N

Y

G

G

Y

Y

I

T

N

Q

E

D

Y

F

P

P

T

V

G

E

R

R

L

M

R

R

D

D

A

A

K

K

L
x
I

Y

T

E

Q

I

I

G
x
Y

A
x
E

G

G

T
|
T

S

N

E
x
Q

I

I

R

Q

R

R

M

V

L

V

I

M

G

S

R
|
R

E

A

L

L

F

L

N

R

active site: L116 (≠ M132), S117 (= S133), T233 (≠ E249), E353 (≠ A370), R365 (= R382)
binding dihydroflavine-adenine dinucleotide: Y114 (≠ L130), L116 (≠ M132), S117 (= S133), G122 (= G138), S123 (= S139), W147 (= W163), I148 (= I164), T149 (= T165), R259 (= R275), F262 (= F278), V266 (≠ I282), N269 (≠ F285), Q326 (= Q343), L327 (= L344), G330 (= G347), I348 (≠ L365), Y352 (≠ G369), T355 (= T372), Q357 (≠ E374)

7p9aA Structure of cyclohex-1-ene-1-carboxyl-coa dehydrogenase complexed with cyclohex-1,5-diene-1-carboxyl-coa (see paper)
42% identity, 96% coverage: 12:385/389 of query aligns to 4:378/380 of 7p9aA

query
sites
7p9aA

L

L

D

T

D

E

E

E

L

Q

N

K

M

L

L

T

R

L

D

D

Q

M

V

V

N

R

A

D

F

V

A

A

R

T

D

R

E

E

I

I

A

A

P

P

R

R

A

A

A

L

E

E

I

L

D

D

E

E

K

K

N

S

E

L

F

F

P

P

N

E

D

Y

L

A

W

R

Q

D

K

L

F

F

G

A

D

K

M

L

G

G

L

L

G

N

I

P

T

L

V

L

P

P

E

A

D

Y

G

G

T

T

G

E

M

M

G

G

Y

V

L

L

A

T

H

L

C

A

I

L

A

I

M

L

E

E

I

L

S

G

R

R

A

V

S

C

A

A

S

S

V

T

G

A

L

L

S

L

Y

L

G

I

A

A

H

Q

S

T

N

D

L

G

C

M

V

L

N

P

Q

I

L

I

K

H

I

-

N

G

A

G

N

S

A

P

E

E

Q

L

K

K

A

E

K

R

Y

Y

L

L

P

R

K

R

L

F

I

-

S

A

G

G

E

E

H

S

-

T

-

L

I

L

G

T

A

A

L
|
L

A

A

M
x
A

S
x
T

E

E

P

P

G

A

A

A

G
|
G

S
|
S

D

D

V
x
L

V

L

S

A

M

M

K

K

L

T

R

R

A

A

R

V

Q

R

E

Q

G

G

D

D

K

K

Y

Y

I

V

L

I

N

N

G

G

N

Q

K

K

M

C

W
x
F

I
|
I

T
|
T

N

N

G

G

P

S

D

V

A

A

D

D

V

V

L

I

V

V

Y

Y

A

A

K

Y

T

T

D

D

P

P

E

E

A

K

G

G

S

S

K
|
K

G

G

I

I

T

S

A

A

F

F

I

V

E

E

K

K

G

G

M

T

P

P

G

G

F

L

S

V

T

Y

A

G

Q

R

K

N

L

E

D

S

K
|
K

L

M

G

G

M

M

R

R

G

G

S

S

N

I

T
x
N

C

S

E

E

L

L

V

F

F

F

Q

E

D

N

C

M

E

E

V

V

P

P

V

A

E

E

N

N

V

I

L

I

G

G

D

A

E

E

G

G

K

T

G

G

V
x
F

R

A

V

N

L

L

M
|
M

S

Q

G

T

L
|
L

D

S

Y

T

E
x
N

R
|
R

T

V

V

F

L

C

A

A

G

Q

P

A

I

V

G

G

I

I

M

A

Q

Q

A

G

A

A

M

L

D

D

V

I

V

A

V

V

P

R

Y

H

V

T

H

Q

E

D

R

R

K

V

Q

Q

F

F

N

G

Q

K

S

P

I

I

G

A

E

H

F

L

Q

A

L

P

V

V

Q

Q

G

F

K

M

I

V

A

A

D

D

M

M

Y

A

T

T

T

A

L

V

N

E

A

A

C

S

R

R

A

L

Y

L

L

T

Y

R

A

K

V

A

A

A

A

E

A

L

C

L

D

D

R

D

G

G

Q

D

T

K

S

K

R

-

K

-

D

-

A

-

G

-

V

A

I

V

L

L

Y

Y

-

G

-

S

-

M

-

A

-

K

-

T

-

M

C

A

A

S

E

D

K

T

A

A

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M

Q

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V

V

A

T

L

T

D

D

A

A

I

V

Q

Q

L

V

L

L

G

G

N

S

G

G

Y

Y

I

M

N

K

E

E

Y

N

P

G

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G

E

R

R

L

M

R

R

D

D

A

A

K

K

L
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L

Y

T

E

Q

I

I

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x
Y

A
x
T

G
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G

T
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T

S

N

E
x
Q

I
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I

R

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R

R

M

M

L

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I

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G

R
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R

E

A

L

L

F

L

binding 1,5 Dienoyl-CoA: S131 (= S139), L133 (≠ V141), K178 (= K186), F231 (≠ V239), M235 (= M243), L238 (= L246), N241 (≠ E249), R242 (= R250), Y362 (≠ G369), T363 (≠ A370), G364 (= G371), R375 (= R382)
binding flavin-adenine dinucleotide: L122 (= L130), A124 (≠ M132), T125 (≠ S133), G130 (= G138), S131 (= S139), F155 (≠ W163), I156 (= I164), T157 (= T165), K200 (= K208), N208 (≠ T216), L358 (= L365), T365 (= T372), Q367 (≠ E374), I368 (= I375)

Q39QF5 Cyclohex-1-ene-1-carbonyl-CoA dehydrogenase; CHeneCoA dehydrogenase; EC 1.3.8.10 from Geobacter metallireducens (strain ATCC 53774 / DSM 7210 / GS-15) (see paper)
42% identity, 96% coverage: 12:385/389 of query aligns to 4:378/380 of Q39QF5

query
sites
Q39QF5

L

L

D

T

D

E

E

E

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L

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A

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A

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E

E

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E

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N

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F

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F

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A

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L

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A

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A

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C

A

A

S

S

V

T

G

A

L

L

S

L

Y

L

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I

A

A

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Q

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T

N
x
D

L

G

C

M

V

L

N

P

Q

I

L

I

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H

I

-

N

G

A

G

N

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Q

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K

A

E

K

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Y

Y

L

L

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I

-

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G

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E

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S

-

T

-

L

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A

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L

A

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x
A

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x
T

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E

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P

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A

A

A

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G

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S

D

D

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L

S

A

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M

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K

L

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R

A

A

R

V

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R

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Q

G

G

D

D

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K

Y

Y

I

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L

I

N

N

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T

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N

G

G

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A

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L

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D

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K

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G

I

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A

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F

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E

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K

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G

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D

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K

L

M

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G

M

M

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R

G

G

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S

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I

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N

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E

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L

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F

F

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E

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A

E

E

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I

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-

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A

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L

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Y

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M

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M

C

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x
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L

D91 (≠ N99) mutation to E: Retains minor activity.; mutation to N: Loss of activity. Gains a low but significant C1,C2-dehydrogenation activity, but the C3,C6- and C3,C4-dehydrogenating activities are largely diminished; when associated with D-241.
L122 (= L130) binding FAD
A124 (≠ M132) binding FAD
T125 (≠ S133) binding FAD
S131 (= S139) binding cyclohex-1-ene-1-carbonyl-CoA; binding cyclohexa-1,5-diene-1-carbonyl-CoA; binding FAD
T157 (= T165) binding FAD
K178 (= K186) binding cyclohex-1-ene-1-carbonyl-CoA; binding cyclohexa-1,5-diene-1-carbonyl-CoA
N241 (≠ E249) mutation to D: Shows decreased activity, with a shift towards C3,C4- versus C3,C6-dehydrogenation. Gains a low but significant C1,C2-dehydrogenation activity, but the C3,C6- and C3,C4-dehydrogenating activities are largely diminished; when associated with N-91.
R242 (= R250) binding cyclohex-1-ene-1-carbonyl-CoA; binding cyclohexa-1,5-diene-1-carbonyl-CoA
T363 (≠ A370) binding cyclohex-1-ene-1-carbonyl-CoA; binding cyclohexa-1,5-diene-1-carbonyl-CoA; mutation to V: Shows decreased activity, with a shift towards C3,C4- versus C3,C6-dehydrogenation.
T365 (= T372) binding FAD
Q367 (≠ E374) binding FAD
R375 (= R382) binding cyclohex-1-ene-1-carbonyl-CoA; binding cyclohexa-1,5-diene-1-carbonyl-CoA

7p9xA Structure of cyclohex-1-ene-1-carboxyl-coa dehydrogenase complexed with cyclohex-1-ene-1-carboxyl-coa (see paper)
42% identity, 96% coverage: 12:385/389 of query aligns to 2:376/378 of 7p9xA

query
sites
7p9xA

L

L

D

T

D

E

E

E

L

Q

N

K

M

L

L

T

R

L

D

D

Q

M

V

V

N

R

A

D

F

V

A

A

R

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D

R

E

E

I

I

A

A

P

P

R

R

A

A

A

L

E

E

I

L

D

D

E

E

K

K

N

S

E

L

F

F

P

P

N

E

D

Y

L

A

W

R

Q

D

K

L

F

F

G

A

D

K

M

L

G

G

L

L

G

N

I

P

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L

V

L

P

P

E

A

D

Y

G

G

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T

G

E

M

M

G

G

Y

V

L

L

A

T

H

L

C

A

I

L

A

I

M

L

E

E

I

L

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G

R

R

A

V

S

C

A

A

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S

V

T

G

A

L
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L

S

L

Y

L

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I

A

A

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S

T

N
x
D

L

G

C

M

V

L

N

P

Q

I

L

I

K

H

I

-

N

G

A

G

N

S

A

P

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E

Q

L

K

K

A

E

K

R

Y

Y

L

L

P

R

K

R

L

F

I

-

S

A

G

G

E

E

H

S

-

T

-

L

I

L

G

T

A

A

L

L

A

A

M
x
A

S
x
T

E

E

P

P

G

A

A

A

G
|
G

S
|
S

D

D

V
x
L

V

L

S

A

M

M

K

K

L

T

R

R

A

A

R

V

Q

R

E

Q

G

G

D

D

K

K

Y

Y

I

V

L

I

N

N

G

G

N

Q

K

K

M

C

W
x
F

I
|
I

T
|
T

N

N

G

G

P

S

D

V

A

A

D

D

V

V

L

I

V

V

Y

Y

A

A

K

Y

T

T

D

D

P

P

E

E

A

K

G

G

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K
|
K

G

G

I

I

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A

A

F

F

I

V

E

E

K

K

G

G

M

T

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P

G

G

F

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Y

A

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K

N

L

E

D

S

K

K

L

M

G

G

M

M

R

R

G

G

S

S

N

I

T
x
N

C

S

E

E

L

L

V

F

F

F

Q

E

D

N

C

M

E

E

V

V

P

P

V

A

E

E

N

N

V

I

L

I

G

G

D

A

E

E

G

G

K

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G

G

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x
F

R

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N

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L

M
|
M

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G

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L

D

S

Y

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E

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R
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R

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F

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C

A

A

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A

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G

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A

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A

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A

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A

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Q

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A

A

D

D

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M

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A

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T

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A

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V

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E

A

A

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R

A

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L

L

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Y

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A

K

V

A

A

A

A

E

A

L

C

L

D

D

R

D

G

G

Q

D

T

K

S

K

R

-

K

-

D

-

A

-

G

-

V

A

I

V

L

L

Y

Y

-

G

-

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M

-

A

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K

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M

C

A

A

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E

D

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R

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V

A

T

L

T

D

D

A

A

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Q

L

V

L

L

G

G

N

S

G

G

Y

Y

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N

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E

E

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R

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M

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R

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D

A

A

K

K

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L

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T

E

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x
Y

A
x
T

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G

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T

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N

E
x
Q

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I

R

T

R

R

M

M

L

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G

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R

E

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L

L

F

L

binding 1-monoenoyl-CoA: L82 (= L92), D89 (≠ N99), S129 (= S139), L131 (≠ V141), K176 (= K186), F229 (≠ V239), M233 (= M243), L236 (= L246), R240 (= R250), Y360 (≠ G369), T361 (≠ A370), G362 (= G371), R373 (= R382)
binding flavin-adenine dinucleotide: A122 (≠ M132), T123 (≠ S133), G128 (= G138), S129 (= S139), F153 (≠ W163), I154 (= I164), T155 (= T165), N206 (≠ T216), L356 (= L365), Y360 (≠ G369), T363 (= T372), Q365 (≠ E374), I366 (= I375)

Query Sequence

>WP_086510406.1 NCBI__GCF_002151265.1:WP_086510406.1
MLTAYKPLDFGLDDELNMLRDQVNAFARDEIAPRAAEIDEKNEFPNDLWQKFGDMGLLGI
TVPEEDGGTGMGYLAHCIAMEEISRASASVGLSYGAHSNLCVNQLKINANAEQKAKYLPK
LISGEHIGALAMSEPGAGSDVVSMKLRARQEGDKYILNGNKMWITNGPDADVLVVYAKTD
PEAGSKGITAFIIEKGMPGFSTAQKLDKLGMRGSNTCELVFQDCEVPVENVLGDEGKGVR
VLMSGLDYERTVLAAGPIGIMQAAMDVVVPYVHERKQFNQSIGEFQLVQGKIADMYTTLN
ACRAYLYAVAAACDRGQTSRKDAAGVILYCAEKATQVALDAIQLLGGNGYINEYPTGRLL
RDAKLYEIGAGTSEIRRMLIGRELFNESK

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory