SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_008203261.1 NCBI__GCF_000166275.1:WP_008203261.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

Q96329 Acyl-coenzyme A oxidase 4, peroxisomal; AOX 4; G6p; Short-chain acyl-CoA oxidase; AtCX4; AtG6; SAOX; EC 1.3.3.6 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
46% identity, 86% coverage: 62:451/452 of query aligns to 40:428/436 of Q96329

query
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Q96329

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WALT 172:175 (≠ FGLT 194:197) binding FAD
S181 (= S203) binding FAD
SDAS 181:184 (≠ SGVA 203:206) binding an acyl-CoA
G207 (= G230) binding FAD
R288 (= R311) binding an acyl-CoA
RKQ 313:315 (= RKQ 336:338) binding FAD
Q324 (= Q347) binding FAD
E381 (= E404) binding FAD
G385 (= G408) binding FAD
G409 (= G432) binding an acyl-CoA
TYD 410:412 (≠ TKE 433:435) binding FAD
F428 (= F451) binding FAD

2ix6A Short chain specific acyl-coa oxidase from arabidopsis thaliana, acx4 (see paper)
46% identity, 86% coverage: 62:451/452 of query aligns to 24:412/416 of 2ix6A

query
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2ix6A

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active site: L158 (= L196), T159 (= T197), S271 (≠ T310), E392 (= E431), R404 (= R443)
binding flavin-adenine dinucleotide: T159 (= T197), G164 (= G202), S165 (= S203), W189 (= W228), N239 (= N278), R297 (= R336), F300 (= F339), L304 (≠ I343), F307 (= F346), N310 (≠ V349), E365 (= E404), L366 (= L405), G369 (= G408), I372 (= I411), Y391 (= Y430), T394 (= T433), D396 (≠ E435)

2ix5A Short chain specific acyl-coa oxidase from arabidopsis thaliana, acx4 in complex with acetoacetyl-coa (see paper)
46% identity, 86% coverage: 62:451/452 of query aligns to 24:412/415 of 2ix5A

query
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active site: L158 (= L196), T159 (= T197), S271 (≠ T310), E392 (= E431), R404 (= R443)
binding acetoacetyl-coenzyme a: S165 (= S203), A167 (≠ V205), S168 (≠ A206), F261 (= F300), L268 (= L307), R272 (= R311), E392 (= E431), G393 (= G432), R404 (= R443)
binding flavin-adenine dinucleotide: L158 (= L196), T159 (= T197), G164 (= G202), S165 (= S203), W189 (= W228), N239 (= N278), R297 (= R336), F300 (= F339), L304 (≠ I343), F307 (= F346), L309 (= L348), N310 (≠ V349), E365 (= E404), L366 (= L405), G368 (= G407), G369 (= G408), Y391 (= Y430), T394 (= T433), D396 (≠ E435), I397 (= I436)

2ebaA Crystal structure of the putative glutaryl-coa dehydrogenase from thermus thermophilus
40% identity, 85% coverage: 69:451/452 of query aligns to 3:380/380 of 2ebaA

query
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2ebaA

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E

K

D

S

L

L

L

P

T

P

P

H

E

E

E

R

K

E

E

I

V

Q

Q

L

K

R

A

V

A

R

R

E

R

F

F

M

L

E

E

R

K

E

E

I

A

K

L

P

P

I

H

A

I

N

R

H

D

Y

W

W

W

N

E

K

E

A

G

E

V

F

F

P

P

M

T

Q

H

I

L

I

I

P

P

K

R

M

F

A

A

E

E

L

L

D

G

I

F

A

L

G

G

L

P

T

T

Y

L

Q

P

G

P

-

E

Y

Y

G

G

C

G

P

A

G

G

H

V

S

S

A

S

L

A

E

Y

G

G

F

L

I

I

A

C

M

Y

E

E

M

L

A

E

R

R

I

V

D

D

T

S

S

G

I

L

S

R

T

S

F

F

F

V

G

S

V

V

Q

Q

S

S

G

S

L

L

A

V

M

M

G

Y

S

P

I

I

Y

Y

I

A

C

Y

G

G

S

S

E

E

Q

Q

K

K

K

R

E

E

W

F

L

L

P

P

A

K

M

L

Q

A

K

R

L

G

E

E

K

M

I

V

G

G

A

C

F

F

G

G

L
|
L

T
|
T

E

E

P

P

E

D

V
x
G

G
|
G

S
|
S

G

D

V

P

A

Y

G

G

G

N

L

M

T

K

T

T

T

R

C

A

K

R

R

R

E

-

G

-

D

D

T

T

W

W

I

V

L

L

N

N

G

G

Q

T

K

K

K

M

W
|
W

I

I

G
x
T

N

N

A

G

T

N

F

L

S

A

D

H

L

L

T

A

I

V

I

I

W

W

A

A

R

K

D

D

L

-

D

-

Q

-

Q

E

V

V

K

L

G

G

F

F

I

L

V

V

R

P

K

T

D

D

N

T

P

P

G

G

F

F

K

Q

A

A

E

R

K

E

L

V

E

K

D

R

K

K

M

M

A

S

L

L

R

R

T

A

V

S

Q

V

N

T

A

S

L

E

I

L

T

V

L

L

T

E

K

E

C

V

E

R

V

V

P

P

E

E

S

S

D

L

R

R

L

L

Q

P

E

K

A

A

N

L

S

G

F

L

R

K

D

A

T

P

A

L

K

S

V

C

L

L

R

T

M

Q

T
x
A

R

R

A

F

G

G

V

I

A

A

W

W

Q

G

A

A

V

M

G

G

C

A

A

L

R

E

G

A

A

V

Y

Y

E

E

L

E

A

A

L

V

A

A

Y

F

T

A

N

K

E

S

R
|
R

K

S

Q

T

F

F

G

G

R

E

P

P

I
x
L

A

A

S

K

F
x
K

Q

Q

L

L

V

V

Q

Q

D

A

I

K

L

L

V

A

T

E

M

M

L

L

G

A

D

W

L

H

T

T

A

E

M

G

Q

L

T

L

M

L

V

A

F

W

R

R

L

L

S

A

E

R

M

L

Q

K

D

D

G

E

D

G

I

K

L

L

K

T

D

P

E

A

H

Q

A

V

S

S

L

L

A

A

K

K

V

R

F

Q

C

N

T

V

L

W

R

K

M

A

R

L

S

Q

I

A

V

A

D

R

H

M

A

A

R

R

E
x
D

L
x
I

F

L

G

G

G
|
G

N

S

G

G

I

I

L

T

L

L

K

E

H

Y

D

H

I

A

A

I

R

R

F

H

V

M

A

L

D

N

A

L

E

E

A
x
T

V

V

Y

Y

S
x
T

Y
|
Y

E
|
E

G

G

T
|
T

K

H

E

D

I

V

N

H

S

T

L

L

I

V

V

L

G

G

R
|
R

A

E

I

I

T

T

G

G

H

L

S

N

A

A

F

F

active site: L131 (= L196), T132 (= T197), A239 (≠ T310), E360 (= E431), R372 (= R443)
binding flavin-adenine dinucleotide: L131 (= L196), T132 (= T197), G136 (≠ V201), G137 (= G202), S138 (= S203), W161 (= W228), T163 (≠ G230), R265 (= R336), L272 (≠ I343), K275 (≠ F346), D333 (≠ E404), I334 (≠ L405), G337 (= G408), T355 (≠ A426), T358 (≠ S429), Y359 (= Y430), T362 (= T433)

3sf6A Crystal structure of glutaryl-coa dehydrogenase from mycobacterium smegmatis (see paper)
38% identity, 85% coverage: 69:451/452 of query aligns to 6:386/387 of 3sf6A

query
sites
3sf6A

D

D

F

L

Y

I

E

G

L

I

G

N

K

A

S

V

L

L

P

S

P

A

H

E

E

E

R

R

E

E

I

I

Q

R

L

D

R

T

V

V

R

R

E

S

F

V

M

V

E

Q

R

R

E

R

I

I

K

K

P

P

I

H

A

I

N

A

H

S

Y

W

W

Y

N

E

K

D

A

G

E

E

F

L

P

P

M

A

-

R

Q

E

I

L

I

A

P

V

K

E

M

L

A

G

E

E

L

L

D

G

I

L

A

L

G

G

L

M

T

H

Y

L

Q

K

G

G

Y

Y

G

G

C

C

P

A

G

G

H

M

S

S

A

A

L

V

L

A

E

Y

G

G

F

L

I

A

A

C

M

L

E

E

M

L

A

E

R

A

I

G

D

D

T

S

S

G

I

I

S

R

T

S

F

L

F

V

G

S

V

V

Q

Q

S

G

G

S

L

L

A

A

M

M

G

Y

S

A

I

I

Y

H

I

A

C

F

G

G

S

S

E

D

E

E

Q

Q

K

K

K

D

E

Q

W

W

L

L

P

P

A

D

M

M

Q

A

K

S

L

G

E

H

K

R

I

I

G

G

A

C

F
|
F

G

G

L
|
L

T
|
T

E

E

P

P

E

D

V

H

G
|
G

S
|
S

G

D

V

P

A

A

G

G

G

-

L

M

T

R

T

T

T

R

C

A

K

T

R

R

E

S

G

G

D

D

T

D

W

W

I

I

L

L

N

T

G

G

Q

T

K

K

K

M

W
|
W

I
|
I

G
x
T

N

N

A

G

T

S

F

V

S

A

D

D

L

V

T

A

I

V

W

W

A

A

R

R

D

T

L

-

D

-

D

D

Q

E

Q

G

V

I

K

R

G

G

F

F

I

V

V

V

R

P

K

T

D

D

N

T

P

P

G

G

F

F

K

T

A

A

E

N

K

T

L

I

E

K

D

S

K

K

M

M

A

S

L

L

R

R

T

A

V

S

Q

V

N

T

A

S

L

E

I

L

T

V

L

L

T

D

K

G

C

V

E

R

V

L

P

P

E

D

S

S

D

A

R

R

L

L

Q

P

E

G

A

A

N

T

S

S

F

L

R

G

D

A

T

P

A

L

K

R

V

C

L

L

R

N

M

E

T
x
A

R

R

A

F

G

G

V

I

A

V

W

F

Q

G

A

A

V

L

G

G

C

A

A

A

R

R

G

D

A

C

Y

L

E

E

L

T

A

A

L

L

A

A

Y

Y

T

A

N

C

E

S

R

R

K

E

Q

Q

F

F

G

D

R

R

P

P

I

I

A

G

S

G

F

F

Q

Q

L

L

V

T

Q

Q

D

Q

I

K

L

L

V

A

T

D

M

M

L

T

G

L

D

E

L

Y

T

G

A

K

M

G

Q

F

T

L

M

L

V

A

F

L

R

H

L

L

S

G

E

R

M

Q

Q

K

D

D

G

A

D

G

I

E

L

L

K

A

D

P

E

E

H

Q

A

V

S

S

L

L

A

G

K

K

V

L

F

N

C

N

T

V

L

R

R

E

M

A

R

I

S

E

I

I

V

A

D

R

H

T

A

A

R

R

E

T

L

V

F

L

G

G

G

A

N

S

G

G

I

I

L

T

L

G

K

E

H

Y

D

P

I

V

A

M

R

R

F

H

V

A

A

N

D

N

A

L

E

E

A
x
S

V

V

Y

L

S
x
T

Y
|
Y

E
|
E

G

G

T
|
T

K

S

E
|
E

I
x
M

N

H

S

T

L

L

I

I

V

I

G

G

R
x
Q

A

A

I

L

T

T

G

G

H

V

S

G

A

A

F

F

active site: L134 (= L196), T135 (= T197), A245 (≠ T310), E366 (= E431), Q378 (≠ R443)
binding dihydroflavine-adenine dinucleotide: F132 (= F194), L134 (= L196), T135 (= T197), G140 (= G202), S141 (= S203), W165 (= W228), I166 (= I229), T167 (≠ G230), S361 (≠ A426), T364 (≠ S429), Y365 (= Y430), T368 (= T433), E370 (= E435), M371 (≠ I436)

3swoA Crystal structure of a glutaryl-coa dehydrogenase from mycobacterium smegmatis in complex with fadh2 (see paper)
35% identity, 85% coverage: 69:451/452 of query aligns to 8:387/388 of 3swoA

query
sites
3swoA

D

E

F

L

Y

F

E

D

L

T

G

D

K

R

S

L

L

L

P

D

P

Q

H

D

E

E

R

R

E

D

I

I

Q

A

L

A

R

T

V

V

R

R

E

Q

F

F

M

V

E

D

R

T

E

R

I

L

K

K

P

P

I

N

A

V

N

E

H

G

Y

W

W

F

N

E

K

S

A

A

E

T

F

L

P

P

M

S

Q

E

I

L

I

A

P

K

K

E

M

F

A

G

E

N

L

L

D

G

I

V

A

L

G

G

L

M

T

H

Y

L

Q

Q

G

G

Y

Y

G

G

C

C

P

A

G

G

H

T

S

N

A

A

L

V

L

S

E

Y

G

G

F

L

I

A

A

C

M

M

E

E

M

L

A

E

R

A

I

G

D

D

T

S

S

G

I

F

S

R

T

S

F

F

F

V

G

S

V

V

Q

Q

S

G

G

S

L

L

A

S

M

M

G

F

S

S

I

I

Y

Y

I

R

C

Y

G

G

S

S

E

E

Q

Q

K

K

K

N

E

E

W

W

L

L

P

P

A

R

M

L

Q

A

K

A

L

G

E

D

K

A

I

I

G

G

A

C

F
|
F

G

G

L
|
L

T
|
T

E

E

P

P

E

D

V

F

G
|
G

S
|
S

G

N

V

P

A

A

G

G

G

-

L

M

T

R

T

T

T

R

C

A

K

R

R

R

E

D

G

G

D

S

T

D

W

W

I

I

L

L

N

N

G

G

Q

T

K

K

K

M

W
|
W

I
|
I

G
x
T

N

N

A

G

T

N

F

L

S

A

D

D

L

V

T

A

I

T

I

V

W

W

A

A

R

Q

D

T

L

-

D

-

D

D

Q

D

Q

G

V

I

K

R

G

G

F

F

I

L

V

V

R

P

K

T

D

D

N

T

P

P

G

G

F

F

K

T

A

A

E

N

K

E

L

I

E

H

D

R

K

K

M

L

A

S

L

L

R

R

T

A

V

S

Q

V

N

T

A

S

L

E

I

L

T

V

L

L

T

D

K

N

C

V

E

R

V

L

P

P

E

A

S

S

D

A

R

Q

L

L

Q

P

E

L

A

A

N

E

S

G

F

L

R

S

D

A

T

P

A

L

K

S

V

C

L

L

R

N

M

E

T
x
A

R

R

A

F

G

G

V

I

A

V

W

F

Q

G

A

A

V

L

G

G

C

A

A

A

R

R

G

D

A

S

Y

L

E

E

L

T

A

T

L

I

A

A

Y

Y

T

T

N

Q

E

S

R
|
R

K

E

Q
x
V

F
|
F

G

D

R

K

P

P

I
x
L

A

S

S

N

F
x
Y

Q

Q

L

L

V

T

Q

Q

D

E

I

K

L

L

V

A

T

N

M

M

L

T

G

V

D

E

L

L

T

G

A

K

M

G

Q

M

T

L

M

L

V

A

F

I

R

H

L

L

S

G

E

R

M

I

Q

K

D

D

G

A

D

E

I

G

L

V

K

R

D

P

E

E

H

Q

A

I

S

S

L

L

A

G

K

K

V

L

F

N

C

N

T

V

L

R

R

E

M

A

R

I

S

A

I

I

V

A

D

R

H

E

A

C

R

R

E
x
T

L
|
L

F

L

G

G

G
|
G

N

S

G

G

I
|
I

L

T

L

L

K

E

H

Y

D

S

I

P

A

L

R

R

F

H

V

A

A

N

D

N

A

L

E

E

A

S

V

V

Y

L

S
x
T

Y
|
Y

E
|
E

G

G

T
|
T

K

S

E
|
E

I
x
M

N

H

S

L

L

L

I

S

V

I

G

G

R
x
K

A

A

I

L

T

T

G

G

H

K

S

A

A

A

F

F

active site: L135 (= L196), T136 (= T197), A246 (≠ T310), E367 (= E431), K379 (≠ R443)
binding dihydroflavine-adenine dinucleotide: F133 (= F194), L135 (= L196), T136 (= T197), G141 (= G202), S142 (= S203), W166 (= W228), I167 (= I229), T168 (≠ G230), R272 (= R336), V274 (≠ Q338), F275 (= F339), L279 (≠ I343), Y282 (≠ F346), T340 (≠ E404), L341 (= L405), G344 (= G408), I347 (= I411), T365 (≠ S429), Y366 (= Y430), T369 (= T433), E371 (= E435), M372 (≠ I436)

2r0nA The effect of a glu370asp mutation in glutaryl-coa dehydrogenase on proton transfer to the dienolate intermediate (see paper)
37% identity, 77% coverage: 105:452/452 of query aligns to 41:389/390 of 2r0nA

query
sites
2r0nA

N

N

K

R

A

N

E

E

-

V

F

F

P

H

M

R

Q

E

I

I

P

S

K

E

M

M

A

G

E

E

L

L

D

G

I

V

A

L

G

G

L

P

T

T

Y

I

Q

K

G

G

Y

Y

G

G

C

C

P

A

G

G

H

V

S

S

A

S

L

V

L

A

E

Y

G

G

F

L

I

L

A

A

M

R

E

E

M

L

A

E

R

R

I

V

D

D

T

S

S

G

I

Y

S
x
R

T
x
S

F

A

F

M

G

S

V
|
V

Q

Q

S

S

G

S

L

L

A

V

M

M

G

H

S

P

I

I

Y

Y

I

A

C

Y

G

G

S

S

E

E

Q

Q

K

R

K

Q

E

K

W

Y

L

L

P

P

A

Q

M

L

Q

A

K

K

L

G

E

E

K

L

I

L

G

G

A

C

F
|
F

G

G

L
|
L

T
|
T

E

E

P

P

E

N

V

S

G
|
G

S
|
S

G

D

V
x
P

A

S

G

S

G

M

L

E

T

T

T

R

T

A

C

H

K

Y

R

N

E

S

G

S

D

N

-

K

T

S

W

Y

I

T

L

L

N

N

G

G

Q

T

K

K

K

T

W
|
W

I
|
I

G
x
T

N

N

A

S

T

P

F

M

S

A

D

D

L

L

T

F

I

V

W

W

A

A

R

R

D

-

L

C

D

E

D

D

Q

G

Q

C

V

I

K

R

G

G

F

F

I

L

V

L

R

E

K

K

D

G

N

M

P

R

G

G

F

L

K

S

A

A

E

P

K

R

L

I

E

Q

D

G

K

K

M

F

A

S

L

L

R

R

T

A

V

S

Q

A

N

T

A

G

L

M

I

I

T

I

L

M

T

D

K

G

C

V

E

E

V

V

P

P

E

E

S

E

D

N

R

V

L

L

Q

P

E

G

A

A

N

S

S

S

F

L

R
x
G

D

G

T

P

A
x
F

K

G

V

C

L
|
L

R
x
N

M

N

T
x
A

R

R

A

Y

G

G

V

I

A

A

W

W

Q

G

A

V

V

L

G

G

C

A

A

S

R

E

G

F

A

C

Y

L

E

H

L

T

A

A

L

R

A

Q

Y

Y

T

A

N

L

E

D

R

R

K

M

Q

Q

F

F

G

G

R

V

P

P

I

L

A

A

S

R

F

N

Q

Q

L

L

V

I

Q

Q

D

K

I

K

L

L

V

A

T

D

M

M

L

L

G

T

D

E

L

I

T

T

A

L

M

G

Q

L

T

H

M

A

V

C

F

L

R

Q

L

L

S

G

E

R

M

L

Q

K

D

D

G

Q

D

D

I

K

L

A

K

A

D
x
P

E

E

H

M

A

V

S

S

L

L

A

L

K

K

V

R

F

N

C

N

T

C

L

G

R

K

M

A

R

L

S

D

I

I

V

A

D

R

H

Q

A

A

R

R

E

D

L

M

F

L

G

G

N

N

G

G

I

I

L

S

L

D

K

E

H

Y

D

H

I

V

A

I

R

R

F

H

V

A

A

M

D

N

A

L

E

E

A

A

V

V

Y

N

S

T

Y
|
Y

E
|
E

G

G

T
|
T

K

H

E
x
D

I

I

N

H

S

A

L

L

I
|
I

V

L

G

G

R
|
R

A

A

I

I

T

T

G

G

H

I

S

Q

A

A

F

F

V

T

active site: L133 (= L196), T134 (= T197), A247 (≠ T310), E368 (= E431), R380 (= R443)
binding flavin-adenine dinucleotide: F131 (= F194), L133 (= L196), T134 (= T197), G139 (= G202), S140 (= S203), W166 (= W228), I167 (= I229), T168 (≠ G230), Y367 (= Y430), T370 (= T433), D372 (≠ E435)
binding 3-thiaglutaryl-CoA: R92 (≠ S155), S93 (≠ T156), V97 (= V160), P142 (≠ V205), G238 (≠ R301), F241 (≠ A304), L244 (= L307), N245 (≠ R308), P318 (≠ D381), Y367 (= Y430), E368 (= E431), I377 (= I440)

1sirA The crystal structure and mechanism of human glutaryl-coa dehydrogenase (see paper)
37% identity, 77% coverage: 105:452/452 of query aligns to 41:389/390 of 1sirA

query
sites
1sirA

N

N

K

R

A

N

E

E

-

V

F

F

P

H

M

R

Q

E

I

I

P

S

K

E

M

M

A

G

E

E

L

L

D

G

I

V

A

L

G

G

L

P

T

T

Y

I

Q

K

G

G

Y

Y

G

G

C

C

P

A

G

G

H

V

S

S

A

S

L

V

L

A

E

Y

G

G

F

L

I

L

A

A

M

R

E

E

M

L

A

E

R

R

I

V

D

D

T

S

S

G

I

Y

S

R

T
x
S

F

A

F

M

G

S

V

V

Q

Q

S

S

G

S

L

L

A

V

M

M

G

H

S

P

I

I

Y

Y

I

A

C

Y

G

G

S

S

E

E

Q

Q

K

R

K

Q

E

K

W

Y

L

L

P

P

A

Q

M

L

Q

A

K

K

L

G

E

E

K

L

I

L

G

G

A

C

F
|
F

G

G

L
|
L

T
|
T

E

E

P

P

E

N

V

S

G
|
G

S
|
S

G

D

V

P

A

S

G

S

G

M

L

E

T

T

T

R

T

A

C

H

K

Y

R

N

E

S

G

S

D

N

-

K

T

S

W

Y

I

T

L

L

N

N

G

G

Q

T

K

K

K

T

W
|
W

I
|
I

G
x
T

N

N

A

S

T

P

F

M

S

A

D

D

L

L

T

F

I

V

W

W

A

A

R

R

D

-

L

C

D

E

D

D

Q

G

Q

C

V

I

K

R

G

G

F

F

I

L

V

L

R

E

K

K

D

G

N

M

P

R

G

G

F

L

K

S

A

A

E

P

K

R

L

I

E

Q

D

G

K

K

M

F

A

S

L

L

R

R

T

A

V

S

Q

A

N

T

A

G

L

M

I

I

T

I

L

M

T

D

K

G

C

V

E

E

V

V

P

P

E

E

S

E

D

N

R

V

L

L

Q

P

E

G

A

A

N

S

S

S

F

L

R

G

D

G

T

P

A
x
F

K
x
G

V

C

L
|
L

R
x
N

M

N

T
x
A

R
|
R

A

Y

G

G

V

I

A

A

W

W

Q

G

A

V

V

L

G

G

C

A

A

S

R

E

G

F

A

C

Y

L

E

H

L

T

A

A

L

R

A

Q

Y

Y

T

A

N

L

E

D

R

R

K

M

Q

Q

F

F

G

G

R

V

P

P

I

L

A

A

S

R

F

N

Q

Q

L

L

V

I

Q

Q

D

K

I

K

L

L

V

A

T

D

M

M

L

L

G

T

D

E

L

I

T

T

A

L

M

G

Q

L

T

H

M

A

V

C

F

L

R

Q

L

L

S

G

E

R

M

L

Q

K

D

D

G

Q

D

D

I

K

L

A

K

A

D
x
P

E

E

H

M

A

V

S

S

L

L

A

L

K

K

V

R

F

N

C

N

T

C

L

G

R

K

M

A

R

L

S

D

I

I

V

A

D

R

H

Q

A

A

R

R

E

D

L

M

F

L

G

G

N

N

G

G

I

I

L

S

L

D

K

E

H

Y

D

H

I

V

A

I

R

R

F

H

V

A

A

M

D

N

A

L

E

E

A

A

V

V

Y

N

S

T

Y
|
Y

E
|
E

G

G

T
|
T

K

H

E

D

I

I

N

H

S

A

L

L

I

I

V

L

G

G

R
|
R

A

A

I

I

T

T

G

G

H

I

S

Q

A

A

F

F

V

T

active site: L133 (= L196), T134 (= T197), A247 (≠ T310), E368 (= E431), R380 (= R443)
binding flavin-adenine dinucleotide: F131 (= F194), L133 (= L196), T134 (= T197), G139 (= G202), S140 (= S203), W166 (= W228), I167 (= I229), T168 (≠ G230), Y367 (= Y430), T370 (= T433)
binding s-4-nitrobutyryl-coa: S93 (≠ T156), S140 (= S203), F241 (≠ A304), G242 (≠ K305), L244 (= L307), N245 (≠ R308), R248 (= R311), P318 (≠ D381), Y367 (= Y430), E368 (= E431), R380 (= R443)

2r0mA The effect of a glu370asp mutation in glutaryl-coa dehydrogenase on proton transfer to the dienolate intermediate (see paper)
37% identity, 77% coverage: 105:452/452 of query aligns to 41:389/390 of 2r0mA

query
sites
2r0mA

N

N

K

R

A

N

E

E

-

V

F

F

P

H

M

R

Q

E

I

I

P

S

K

E

M

M

A

G

E

E

L

L

D

G

I

V

A

L

G

G

L

P

T

T

Y

I

Q

K

G

G

Y

Y

G

G

C

C

P

A

G

G

H

V

S

S

A

S

L

V

L

A

E

Y

G

G

F

L

I

L

A

A

M

R

E

E

M

L

A

E

R

R

I

V

D

D

T

S

S

G

I

Y

S

R

T

S

F

A

F

M

G

S

V

V

Q

Q

S

S

G

S

L
|
L

A

V

M

M

G

H

S

P

I

I

Y

Y

I

A

C

Y

G

G

S

S

E

E

Q

Q

K

R

K

Q

E

K

W

Y

L

L

P

P

A

Q

M

L

Q

A

K

K

L

G

E

E

K

L

I

L

G

G

A

C

F
|
F

G

G

L
|
L

T
|
T

E

E

P

P

E

N

V

S

G
|
G

S
|
S

G

D

V

P

A

S

G

S

G

M

L

E

T

T

T

R

T

A

C

H

K

Y

R

N

E

S

G

S

D

N

-

K

T

S

W

Y

I

T

L

L

N

N

G

G

Q

T

K

K

K

T

W
|
W

I
|
I

G
x
T

N

N

A

S

T

P

F

M

S

A

D

D

L

L

T

F

I

V

W

W

A

A

R

R

D

-

L

C

D

E

D

D

Q

G

Q

C

V

I

K

R

G

G

F

F

I

L

V

L

R

E

K

K

D

G

N

M

P

R

G

G

F

L

K

S

A

A

E

P

K

R

L

I

E

Q

D

G

K

K

M

F

A

S

L
|
L

R

R

T

A

V

S

Q

A

N

T

A

G

L

M

I

I

T

I

L

M

T

D

K

G

C

V

E

E

V

V

P

P

E

E

S

E

D

N

R

V

L

L

Q

P

E

G

A

A

N

S

S

S

F

L

R

G

D

G

T

P

A

F

K

G

V

C

L

L

R

N

M

N

T
x
A

R

R

A

Y

G

G

V

I

A

A

W

W

Q

G

A

V

V

L

G

G

C

A

A

S

R

E

G

F

A

C

Y

L

E

H

L

T

A

A

L

R

A

Q

Y

Y

T

A

N

L

E

D

R

R

K

M

Q

Q

F

F

G

G

R

V

P

P

I

L

A

A

S

R

F

N

Q

Q

L

L

V

I

Q

Q

D

K

I

K

L

L

V

A

T

D

M

M

L

L

G

T

D

E

L

I

T

T

A

L

M

G

Q

L

T

H

M

A

V

C

F

L

R

Q

L

L

S

G

E

R

M

L

Q

K

D

D

G

Q

D

D

I

K

L

A

K

A

D

P

E

E

H

M

A

V

S

S

L

L

A

L

K

K

V

R

F

N

C

N

T

C

L

G

R

K

M

A

R

L

S

D

I

I

V

A

D

R

H

Q

A

A

R

R

E

D

L

M

F

L

G

G

N

N

G

G

I

I

L

S

L

D

K

E

H

Y

D

H

I

V

A

I

R

R

F

H

V

A

A

M

D

N

A

L

E

E

A

A

V

V

Y

N

S

T

Y
|
Y

E
x
D

G

G

T
|
T

K

H

E

D

I

I

N

H

S

A

L

L

I

I

V

L

G

G

R
|
R

A

A

I

I

T

T

G

G

H

I

S

Q

A

A

F

F

V

T

active site: L133 (= L196), T134 (= T197), A247 (≠ T310), D368 (≠ E431), R380 (= R443)
binding 4-nitrobutanoic acid: L101 (= L164), Y367 (= Y430), D368 (≠ E431)
binding flavin-adenine dinucleotide: F131 (= F194), L133 (= L196), T134 (= T197), G139 (= G202), S140 (= S203), W166 (= W228), I167 (= I229), T168 (≠ G230), L210 (= L273), Y367 (= Y430), T370 (= T433)

3gncA Crystal structure of glutaryl-coa dehydrogenase from burkholderia pseudomallei with fragment 6421 (see paper)
33% identity, 84% coverage: 73:450/452 of query aligns to 12:380/380 of 3gncA

query
sites
3gncA

L

L

G

D

K

Q

S

Q

L

L

P

A

P

D

H

D

E

E

R

R

E

M

I

V

Q

R

L

D

R

A

V

A

R

H

E

A

F

Y

M

A

E

Q

R

G

E

K

I

L

K

A

P

P

I

R

A

V

N

T

H

E

Y

A

W

F

N

R

K

H

A

E

E

T

F

T

P

D

M

A

Q

A

I

I

I

F

P

R

K

E

M

M

A

G

E

E

L

I

D

G

I

L

A

L

G

G

L

P

T

T

Y

I

-

P

Q

E

G

Q

Y

Y

G

G

C

G

P

P

G

G

H

L

S

D

A

Y

L

V

L

S

E

Y

G

G

F

L

I

I

A

A

M

R

E

E

M

V

A

E

R

R

I

V

D

D

T

S

S

G

I

Y

S
x
R

T
x
S

F

M

G

S

V

V

Q

Q

S

S

G

S

L

L

A

V

M

M

G

V

S

P

I

I

Y

F

I

E

C

F

G

G

S

S

E

D

E

A

Q

Q

K

K

K

E

E

K

W

Y

L

L

P

P

A

K

M

L

Q

A

K

T

L

G

E

E

K

W

I

I

G

G

A

C

F

F

G

G

L
|
L

T
|
T

E

E

P

P

E

-

V

-

G

-

S

-

G

-

V

-

A

-

G

-

L

M

T

V

T

T

T

R

C

A

K

R

R

K

E

V

G

P

D

G

T

G

W

Y

I

S

L

L

N

S

G

G

Q

S

K

K

K

M

W

W

I

I

G

T

N

N

A

S

T

P

F

I

S

A

D

D

L

V

T

F

I

V

W

W

A

A

R

K

-

L

D

D

L

E

D

D

D

R

Q

D

Q

E

V

I

K

R

G

G

F

F

I

I

V

L

R

E

K

K

D

G

N

C

P

K

G

G

F

L

K

S

A

A

E

P

K

A

L

I

E

H

D

G

K

K

M

V

A

G

L

L

R

R

T

A

V

S

Q

I

N

T

A

G

L

E

I

I

T

V

L

L

T

D

K

E

C

A

E

F

V

V

P

P

E

E

S

E

D

N

R

I

L

L

Q

P

E

H

A

V

N

K

S

G

F

L

R

R

D

G

T

P

A

F

K

T

V

C

L

L

R

N

M

S

T
x
A

R

R

A

Y

G

G

V
x
I

A

A

W

W

Q

G

A

A

V

L

G

G

C

A

A

A

R

E

G

S

A

C

Y

W

E

H

L

I

A

A

L

R

A

Q

Y

Y

T

V

N

L

E

D

R

R

K

K

Q

Q

F

F

G

G

R

R

P

P

I

L

A

A

S

A

F

N

Q

Q

L

L

V

I

Q

Q

D

K

I

K

L

L

V

A

T

D

M

M

L

Q

G

T

D

E

L

I

T

T

A

L

M

G

Q

L

T

Q

M

G

V

V

F

L

R

R

L

L

S

G

E

R

M

M

Q

K

D

D

G

E

D

G

I

T

L

A

K

A

D

V

E

E

H

I

A

T

S

S

L

I

A

M

K

K

V

R

F

N

C

S

T

C

L

G

R

K

M

A

R

L

S

D

I

I

V

A

D

R

H

L

A

A

R

R

E

D

L

M

F

L

G

G

N

N

G

G

I

D

L

-

K

E

H

F

D

G

I

V

A

A

R

R

F

H

V

L

A

V

D

N

A

L

E

E

A

V

V
|
V

Y

N

S

T

Y
|
Y

E
|
E

G

G

T

T

K

H

E

D

I

I

N

H

S

A

L

L

I

I

V

L

G

G

R
|
R

A

A

I

Q

T

T

G

G

H

I

S

Q

A

A

active site: L136 (= L196), T137 (= T197), A242 (≠ T310), E361 (= E431), R373 (= R443)
binding 1-(1-methylethyl)-1H-benzimidazole-2-sulfonic acid: R95 (≠ S155), S96 (≠ T156), I246 (≠ V314), V357 (= V427), Y360 (= Y430), E361 (= E431)

3eonC 2.55a crystal structure of native glutaryl-coa dehydrogenase from burkholderia pseudomallei in complex with a small molecule (see paper)
33% identity, 84% coverage: 73:450/452 of query aligns to 11:382/382 of 3eonC

query
sites
3eonC

L

L

G

D

K

Q

S

Q

L

L

P

A

P

D

H

D

E

E

R

R

E

M

I

V

Q

R

L

D

R

A

V

A

R

H

E

A

F

Y

M

A

E

Q

R

G

E

K

I

L

K

A

P

P

I

R

A

V

N

T

H

E

Y

A

W

F

N

R

K

H

A

E

E

T

F

T

P

D

M

A

Q

A

I

I

I

F

P

R

K

E

M

M

A

G

E

E

L

I

D

G

I

L

A

L

G

G

L

P

T

T

Y

I

-

P

Q

E

G

Q

Y

Y

G

G

C

G

P

P

G

G

H

L

S

D

A

Y

L

V

L

S

E

Y

G

G

F

L

I

I

A

A

M

R

E

E

M

V

A

E

R

R

I

V

D

D

T

S

S

G

I

Y

S
x
R

T
x
S

F

M

G

S

V

V

Q

Q

S

S

G

S

L

L

A

V

M

M

G

V

S

P

I

I

Y

F

I

E

C

F

G

G

S

S

E

D

E

A

Q

Q

K

K

K

E

E

K

W

Y

L

L

P

P

A

K

M

L

Q

A

K

T

L

G

E

E

K

W

I

I

G

G

A

C

F

F

G

G

L
|
L

T
|
T

E

E

P

P

E

-

V

-

G

-

S

-

G

-

V

-

A

-

G

G

G

S

L

M

T

V

T

T

T

R

C

A

K

R

R

K

E

V

G

P

D

G

T

G

W

Y

I

S

L

L

N

S

G

G

Q

S

K

K

K

M

W

W

I

I

G

T

N

N

A

S

T

P

F

I

S

A

D

D

L

V

T

F

I

V

W

W

A

A

R

K

D

L

L

D

D

E

D

D

-

G

-

R

Q

D

Q

E

V

I

K

R

G

G

F

F

I

I

V

L

R

E

K

K

D

G

N

C

P

K

G

G

F

L

K

S

A

A

E

P

K

A

L

I

E

H

D

G

K

K

M

V

A

G

L

L

R

R

T

A

V

S

Q

I

N

T

A

G

L

E

I

I

T

V

L

L

T

D

K

E

C

A

E

F

V

V

P

P

E

E

S

E

D

N

R

I

L

L

Q

P

E

H

A

V

N

K

S

G

F

L

R

R

D

G

T

P

A

F

K

T

V

C

L

L

R

N

M

S

T
x
A

R

R

A

Y

G

G

V
x
I

A

A

W

W

Q

G

A

A

V

L

G

G

C

A

A

A

R

E

G

S

A

C

Y

W

E

H

L

I

A

A

L

R

A

Q

Y

Y

T

V

N

L

E

D

R

R

K

K

Q

Q

F

F

G

G

R

R

P

P

I

L

A

A

S

A

F

N

Q

Q

L

L

V

I

Q

Q

D

K

I

K

L

L

V

A

T

D

M

M

L

Q

G

T

D

E

L

I

T

T

A

L

M

G

Q

L

T

Q

M

G

V

V

F

L

R

R

L

L

S

G

E

R

M

M

Q

K

D

D

G

E

D

G

I

T

L

A

K

A

D

V

E

E

H

I

A

T

S

S

L

I

A

M

K
|
K

V

R

F

N

C

S

T

C

L

G

R

K

M

A

R

L

S

D

I

I

V

A

D

R

H

L

A

A

R

R

E

D

L

M

F

L

G

G

N

N

G

G

I

D

L

-

K

E

H

F

D

G

I

V

A

A

R

R

F

H

V

L

A

V

D

N

A

L

E

E

A

V

V

V

Y

N

S

T

Y
|
Y

E
|
E

G

G

T

T

K

H

E

D

I

I

N

H

S

A

L

L

I

I

V

L

G

G

R
|
R

A

A

I

Q

T

T

G

G

H

I

S

Q

A

A

active site: L135 (= L196), T136 (= T197), A244 (≠ T310), E363 (= E431), R375 (= R443)
binding (3,5-difluorophenyl)methanol: R94 (≠ S155), S95 (≠ T156), I248 (≠ V314), K322 (= K388), Y362 (= Y430)

3gqtC Crystal structure of glutaryl-coa dehydrogenase from burkholderia pseudomallei with fragment (1,4-dimethyl-1,2,3,4- tetrahydroquinoxalin-6-yl)methylamine (see paper)
33% identity, 84% coverage: 73:451/452 of query aligns to 11:385/385 of 3gqtC

query
sites
3gqtC

L

L

G

D

K

Q

S

Q

L

L

P

A

P

D

H

D

E

E

R

R

E

M

I

V

Q

R

L

D

R

A

V

A

R

H

E

A

F

Y

M

A

E

Q

R

G

E

K

I

L

K

A

P

P

I

R

A

V

N

T

H

E

Y

A

W

F

N

R

K

H

A

E

E

T

F

T

P

D

M

A

Q

A

I

I

I

F

P

R

K

E

M

M

A

G

E

E

L

I

D

G

I

L

A

L

G

G

L

P

T

T

Y

I

-

P

Q

E

G

Q

Y

Y

G

G

C

G

P

P

G

G

H

L

S

D

A

Y

L

V

L

S

E

Y

G

G

F

L

I

I

A

A

M

R

E

E

M

V

A

E

R

R

I

V

D

D

T

S

S

G

I

Y

S

R

T

S

F

M

G

S

V

V

Q

Q

S

S

G

S

L

L

A

V

M

M

G

V

S

P

I

I

Y

F

I

E

C

F

G

G

S

S

E

D

E

A

Q

Q

K

K

K

E

E

K

W

Y

L

L

P

P

A

K

M

L

Q

A

K

T

L

G

E

E

K

W

I

I

G

G

A

C

F

F

G

G

L
|
L

T
|
T

E

E

P

P

E

N

V

H

G

G

S

S

G

D

V

-

A

P

G

G

G

S

L

M

T

V

T

T

T

R

C

A

K

R

R

K

E

V

G

P</