SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_009154395.1 NCBI__GCF_000244955.1:WP_009154395.1 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)

8biqB Crystal structure of acyl-coa synthetase from metallosphaera sedula in complex with acetyl-amp
43% identity, 88% coverage: 42:545/571 of query aligns to 35:541/561 of 8biqB

query
sites
8biqB

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binding [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate: G319 (= G326), E320 (= E327), P321 (= P328), D340 (= D347), F341 (≠ G348), Y342 (≠ F349), G343 (= G350), Q344 (= Q351), T345 (= T352), D426 (= D431), F438 (≠ Y443), K447 (= K452), R452 (= R457)

8bitA Crystal structure of acyl-coa synthetase from metallosphaera sedula in complex with coenzyme a and acetyl-amp
43% identity, 88% coverage: 42:545/571 of query aligns to 37:543/562 of 8bitA

query
sites
8bitA

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binding [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] ethanoate: W252 (= W259), G321 (= G326), E322 (= E327), P323 (= P328), D342 (= D347), F343 (≠ G348), Y344 (≠ F349), Q346 (= Q351), T347 (= T352), D428 (= D431), F440 (≠ Y443), K449 (= K452), R454 (= R457)
binding coenzyme a: N128 (≠ L133), W247 (= W254), K249 (= K256), K273 (≠ R279), L274 (≠ F280), Q300 (≠ M306), D452 (= D455), Y453 (= Y456), R483 (= R486), P517 (= P520)

8biqA Crystal structure of acyl-coa synthetase from metallosphaera sedula in complex with acetyl-amp
43% identity, 88% coverage: 42:545/571 of query aligns to 36:542/562 of 8biqA

query
sites
8biqA

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D

V

L

H

H

L

L

N

N

I

L

S

S

S

A

P

T

G

G

W

W

A

A

K

K

H

F

A

A

W

W

S

S

N

S

V

F

F

F

A

S

P

P

W

L

N

L

A

V

E

G

A

A

T

T

V

V

F

V

L

G

Y

I

N

N

Y

Y

T

E

-

G

R

K

F

L

D

D

A

T

D

R

A

R

L

Y

M

L

A

G

Q

E

L

V

D

E

R

N

C

L

G

G

V

V

T

T

S

S

F

F

C

C

A

A

P

P

P

P

T

T

V

A

W

W

R

R

M

Q

L

F

I

I

Q

T

A

L

D

D

L

L

S

D

A

Q

L

F

R

R

K

F

P

E

P

R

T

L

K

R

-

S

V

V

V

V

G

S

A

A

G
|
G

E
|
E

P
|
P

L

L

N

N

P

P

E

E

V

V

I

I

E

K

Q

I

V

W

R

K

K

D

S

K

W

F

G

N

V

L

T

T

I

I

R

R

D

D

G

F

F

Y

G
|
G

Q
|
Q

T
|
T

E

E

T

T

S

T

V

A

Q

M

I

V

A

G

N

N

T

F

P

P

G

F

Q

L

P

K

V

V

K

K

P

P

G

G

S

S

M

M

G

G

R

K

A

P

V

H

P

P

G

L

F

Y

R

D

V

I

V

R

L

L

L

L

D

D

P

D

V

E

S

G

G

K

E

E

-

I

-

T

-

K

P

P

S

Y

S

E

E

V

G

G

E

H

I

I

C

T

L

V

D

K

L

L

T

N

H

P

R

R

P

P

V

I

G

G

L

L

M

F

A

L

G

G

Y

Y

A

S

D

D

D

E

D

-

E

K

R

K

T

N

A

M

T

E

A

S

F

F

A

R

G

E

G

G

Y

Y

Y

Y

H

Y

T

T

G

G

D
|
D

V

K

G

A

S

Y

I

F

D

D

E

E

N

E

G

G

Y

Y

I

F

T

Y

Y
x
F

V

V

G

G

R

R

T

G

D

D

D

D

V

V

F

I

K
|
K

A

T

S

S

D

D

Y

Y

R
|
R

I

V

S

G

P

P

F

F

E

E

L

V

E

E

S

S

V

A

L

L

L

L

E

E

H

H

P

P

A

A

V

V

A

A

E

E

A

A

A

A

V

V

V

V

P

G

S

V

P

P

D

D

P

T

I

V

R

R

L

W

A

Q

V

L

P

V

K

K

A

A

Y

Y

V

I

V

V

L

L

A

K

A

K

G

G

H

Y

E

M

P

P

S

S

G

K

E

E

T

L

A

A

E

E

S

E

I

I

L

R

R

E

F

K

C

M

R

K

Q

T

N

L

L

L

A

S

P

P

Y

Y

K

K

R

V

I

P

R

R

R

I

L

I

Q

E

F

F

A

V

D

D

-

E

L

L

P

P

K

K

T

T

I

I

S

S

G

G

K

K

I

I

R

R

R

R

V

V

E

E

L

L

binding adenosine monophosphate: G320 (= G326), E321 (= E327), P322 (= P328), G344 (= G350), Q345 (= Q351), T346 (= T352), D427 (= D431), F439 (≠ Y443), K448 (= K452), R453 (= R457)

Q08AH3 Acyl-coenzyme A synthetase ACSM2A, mitochondrial; Acyl-CoA synthetase medium-chain family member 2A; Benzoate--CoA ligase; Butyrate--CoA ligase 2A; Butyryl-coenzyme A synthetase 2A; Middle-chain acyl-CoA synthetase 2A; EC 6.2.1.2; EC 6.2.1.25 from Homo sapiens (Human) (see 4 papers)
34% identity, 95% coverage: 16:558/571 of query aligns to 20:577/577 of Q08AH3

query
sites
Q08AH3

A

S

R

R

D

T

Y

L

L

Y

L

I

H

N

N

S

R

R

E

Q

D

L

Y

V

A

S

T

L

A

Q

Y

W

A

G

N

H

F

Q

E

E

W

V

P

P

R

-

F

-

T

A

E

K

F

F

N

N

W

F

A

A

L

S

D

D

W

V

F

L

D

D

Q

H

I

W

A

A

A

D

D

M

P

E

A

K

N

A

E

G

S

K

R

R

Y

L

-

P

-

S

-

P

A

A

L

L

W

W

I

W

V

V

E

N

E

G

D

K

G

G

S

K

Q

E

G

L

R

M

W

W

T

N

F

F

P

R

E

E

L

L

S

S

R

E

R

N

S

S

S

Q

Q

Q

V

A

A

A

N

N

W

V

L

L

R

S

-

G

Q

A

R

C

G

G

V

L

R

Q

R

R

G

G

D

D

R

R

L

V

I

A

L

V

M

V

L

L

G

P

N

R

Q

V

V

P

E

E

L

W

W

W

E

L

T

V

I

I

L

L

A

G

A

C

A

I

K

R

L

A

G

G

A

L

V

I

I

F

I

M

P

P

A

G

S

T

T

I

L
x
Q

L

M

G

K

P

S

A

T

D

D

L

I

R

L

D

Y

R

R

V

L

D

Q

R

M

G

S

D

K

A

A

R

K

H

A

V

I

V

V

-

A

-

G

-

D

-

E

-

V

I

I

R

Q

S

E

A

V

D

D

T

T

E

V

K

A

F

-

A

S

E

E

V

C

P

P

G

S

D

L

Y

R

T

I

R

K

I

L

A

L

V

V

G

S

E

E

P

K

-

S

V

C

S

D

G

G

W

W

H

L

S

N

F

F

A

K

A

K

A

L

Y

L

S

N

A

E

D

A

A

S

A

T

F

T

S

H

P

H

D

C

G

V

P

E

T

T

G

G

A

S

D

Q

D

E

P

A

L

S

L

A

L

I

Y

Y

F

F

T
|
T

S
|
S

G
|
G

T
|
T

T
x
S

A
x
G

K
x
L

P
|
P

K
|
K

L

M

V

A

Q

E

H

H

T

S

H

Y

V

S

S

S

Y

L

P

G

V

L

G

K

H

A

L

K

S

M

T

D

M

A

Y

G

W

W

L

T

G

G

L

L

E

Q

P

A

G

S

D

D

V

I

H

M

L

W

N

T

I

I

S

S

S

D

P

T

G

G

W

W

A

I

K

L

H

N

A

I

W

L

S

C

N

S

V

L

F

M

A

E

P

P

W

W

N

A

A

L

E

G

A

A

T

C

V

T

F

F

L

V

Y

H

N

L

Y

L

T

P

R

K

F

F

D

D

A

P

D

L

A

V

L

I

M

L

A

K

Q

T

L

L

D

S

R

S

C

Y

G

P

V

I

T

K

S

S

F

M

C

M

A

G

P

A

P

P

T

I

V

V

W

Y

R

R

M

M

L

L

I

L

Q

Q

A

Q

D

D

L

L

S

S

A

S

L

Y

R

K

K

F

P

P

P

H

T

L

K

Q

-

N

V

C

V

V

G

T

A

V

G

G

E

E

P

S

L

L

N

L

P

P

E

E

V

T

I

L

E

E

Q

N

V

W

R

R

K

A

S

Q

W

T

G

G

V

L

T

D

I

I

R

R

D
x
E

G
x
S

F
x
Y

G
|
G

Q
|
Q

T
|
T

E

E

T

T

S

G

V

L

Q

T

I

C

A

M

N

V

T

S

P

K

G

T

Q

M

P

K

V

I

K

K

P

P

G

G

S

Y

M

M

G

G

R

T

A

A

V

A

P

S

G

C

F

Y

R

D

V

V

V

Q

L

I

L

I

D

D

P

D

V

K

S

G

G

N

-

V

-

L

E

P

P

P

S

G

S

T

E

E

G

G

E

D

I

I

C

G

L

I

D

R

L

V

T

K

-

P

H

I

R

R

P

P

V

I

G

G

L

I

M

F

A

S

G

G

Y

Y

A

V

D

D

D

N

D

P

E

D

R

K

T

T

A

A

T

A

A

N

F

I

A

R

G

G

G

D

Y

F

Y

W

H

L

T

L

G

G

D
|
D

V

R

G

G

S

I

I

K

D

D

E

E

N

D

G

G

Y

Y

I

F

T

Q

Y

F

V

M

G

G

R
|
R

T

A

D

N

D

D

V

I

F

I

K

N

A

S

S
|
S

D
x
G

Y
|
Y

R
|
R

I

I

S

G

P

P

F

S

E

E

L

V

E

E

S

N

V

A

L

L

L

M

E

E

H

H

P

P

A

A

V

V

A

V

E

E

A

T

A

A

V

V

V

I

P

S

S

S

P

P

D

D

P

P

I

V

R
|
R

L

G

A

E

V

V

P

V

K

K

A

A

Y

F

V

V

V

V

L

L

A

A

A
x
S

-

Q

-

F

-

L

G

S

H

H

E

D

P

P

S

E

G

Q

E

L

T

T

A

K

E

E

S

-

I

L

L

Q

R

Q

F

H

C

V

R
x
K

Q

S

N

V

L

T

A

A

P

P

Y

Y

K

K

R
x
Y

I
x
P

R
|
R

R

K

L

I

Q

E

F

F

A

V

-

L

D

N

L

L

P

P

K

K

T

T

I

V

S

T

G

G

K
|
K

I

I

R

Q

R

R

V

A

E

K

L

L

R

R

G

D

R

K

E

E

-

W

N

K

E

M

A

S

G

G

E

K

R

A

R

R

Q

A

Q

Q

Q139 (≠ L133) binding CoA
221:229 (vs. 210:218, 67% identical) binding ATP
ESYGQT 359:364 (≠ DGFGQT 347:352) binding ATP
T364 (= T352) binding substrate
D446 (= D431) binding ATP
R461 (= R446) binding ATP
SGY 469:471 (≠ SDY 454:456) binding CoA
R472 (= R457) binding substrate
R501 (= R486) binding CoA
S513 (≠ A498) to L: in dbSNP:rs1133607
K532 (≠ R515) binding CoA
YPR 540:542 (≠ RIR 523:525) binding CoA
K557 (= K539) binding ATP

3b7wA Crystal structure of human acyl-coa synthetase medium-chain family member 2a, with l64p mutation (see paper)
35% identity, 89% coverage: 41:549/571 of query aligns to 11:535/537 of 3b7wA

query
sites
3b7wA

E

K

F

F

N

N

W

F

A

A

L

S

D

D

W

V

F

L

D

D

Q

H

I

W

A

A

A

D

D

M

P

E

A

K

N

A

E

G

S

K

R

R

Y

P

-

P

-

S

-

P

A

A

L

L

W

W

I

W

V

V

E

N

E

G

D

K

G

G

S

K

Q

E

G

L

R

M

W

W

T

N

F

F

P

R

E

E

L

L

S

S

R

E

R

N

S

S

S

Q

Q

Q

V

A

A

A

N

N

W

V

L

L

R

S

-

G

Q

A

R

C

G

G

V

L

R

Q

R

R

G

G

D

D

R

R

L

V

I

A

L

V

M

V

L

L

G

P

N

R

Q

V

V

P

E

E

L

W

W

W

E

L

T

V

I

I

L

L

A

G

A

C

A

I

K

R

L

A

G

G

A

L

V

I

I

F

I

M

P

P

A

G

S

T

T

I

L

Q

L

M

G

K

P

S

A

T

D

D

L

I

R

L

D

Y

R

R

V

L

D

Q

R

M

G

S

D

K

A

A

R

K

H

A

V

I

V

V

-

A

-

G

-

D

-

E

-

V

I

I

R

Q

S

E

A

V

D

D

T

T

E

V

K

A

F

-

A

S

E

E

V

C

P

P

G

S

D

L

Y

R

T

I

R

K

I

L

A

L

V

V

G

S

E

E

P

K

-

S

V

C

S

D

G

G

W

W

H

L

S

N

F

F

A

K

A

K

A

L

Y

L

S

N

A

E

D

A

A

S

A

T

F

T

S

H

P

H

D

C

G

V

P

E

T

T

G

G

A

S

D

Q

D

E

P

A

L

S

L

A

L

I

Y

Y

F

F

T
|
T

S

S

G

G

T

T

T

S

A

G

K

L

P

P

K

K

L

M

V

A

Q

E

H

H

T

S

H

Y

V

S

S

S

Y

L

P

G

V

L

G

K

H

A

L

K

S

M

T

D

M

A

Y

G

W

W

L

T

G

G

L

L

E

Q

P

A

G

S

D

D

V

I

H

M

L

W

N

T

I

I

S

S

S

D

P

T

G

G

W

W

A

I

K

L

H

N

A

I

W

L

S

C

N

S

V

L

F

M

A

E

P

P

W

W

N

A

A

L

E

G

A

A

T

C

V

T

F

F

L

V

Y

H

N

L

Y

L

T

P

R

K

F

F

D

D

A

P

D

L

A

V

L

I

M

L

A

K

Q

T

L

L

D

S

R

S

C

Y

G

P

V

I

T

K

S

S

F

M

C

M

A

G

P

A

P

P

T

I

V

V

W

Y

R

R

M

M

L

L

I

L

Q

Q

A

Q

D

D

L

L

S

S

A

S

L

Y

R

K

K

F

P

P

P

H

T

L

K

Q

-

N

V

C

V

V

G

T

A

V

G

G

E

E

P

S

L

L

N

L

P

P

E

E

V

T

I

L

E

E

Q

N

V

W

R

R

K

A

S

Q

W

T

G

G

V

L

T

D

I

I

R

R

D

E

G

S

F

Y

G

G

Q

Q

T
|
T

E
|
E

T

T

S

G

V

L

Q

T

I

C

A

M

N

V

T

S

P

K

G

T

Q

M

P

K

V

I

K

K

P

P

G

G

S

Y

M

M

G

G

R

T

A

A

V

A

P

S

G

C

F

Y

R

D

V

V

V

Q

L

I

L

I

D

D

P

D

V

K

S

G

G

N

-

V

-

L

E

P

P

P

S

G

S

T

E

E

G

G

E

D

I

I

C

G

L

I

D

R

L

V

T

K

-

P

H

I

R

R

P

P

V

I

G

G

L

I

M

F

A

S

G

G

Y

Y

A

V

D

D

D

N

D

P

E

D

R

K

T

T

A

A

T

A

A

N

F

I

A

R

G

G

G

D

Y

F

Y

W

H

L

T

L

G

G

D

D

V

R

G

G

S

I

I

K

D

D

E

E

N

D

G

G

Y

Y

I

F

T

Q

Y

F

V

M

G

G

R

R

T

A

D

D

D

D

V

I

F

I

K
x
N

A

S

S

S

D

G

Y

Y

R
|
R

I

I

S

G

P

P

F

S

E

E

L

V

E

E

S

N

V

A

L

L

L
x
M

E

E

H
|
H

P

P

A

A

V
|
V

A

V

E

E

A

T

A

A

V

V

V

I

P

S

S

S

P

P

D

D

P

P

I

V

R

R

L

G

A

E

V

V

P

V

K

K

A

A

Y

F

V

V

V

V

L

L

A

A

A

S

-

Q

-

F

-

L

G

S

H

H

E

D

P

P

S

E

G

Q

E

L

T

T

A

K

E

E

S

-

I

L

L

Q

R

Q

F

H

C

V

R

K

Q

S

N

V

L

T

A

A

P

P

Y

Y

K

K

R

Y

I

P

R

R

R

K

L

I

Q

E

F

F

A

V

-

L

D

N

L

L

P

P

K

K

T

T

I

V

S

T

G

G

K
|
K

I

I

R

Q

R

R

V

A

E

K

L

L

R

R

G

D

R

K

E

E

active site: T189 (= T210), T332 (= T352), E333 (= E353), N435 (≠ K452), R440 (= R457), K525 (= K539)
binding magnesium ion: M451 (≠ L468), H453 (= H470), V456 (= V473)

3eq6A Crystal structure of human acyl-coa synthetase medium-chain family member 2a (l64p mutation) in a ternary complex with products (see paper)
35% identity, 89% coverage: 41:549/571 of query aligns to 7:531/533 of 3eq6A

query
sites
3eq6A

E

K

F

F

N

N

W

F

A

A

L

S

D

D

W

V

F

L

D

D

Q

H

I

W

A

A

A

D

D

M

P

E

A

K

N

A

E

G

S

K

R

R

Y

P

-

P

-

S

-

P

A

A

L

L

W

W

I

W

V

V

E

N

E

G

D

K

G

G

S

K

Q

E

G

L

R

M

W

W

T

N

F

F

P

R

E

E

L

L

S

S

R

E

R

N

S

S

S

Q

Q

Q

V

A

A

A

N

N

W

V

L

L

R

S

-

G

Q

A

R

C

G

G

V

L

R

Q

R

R

G

G

D

D

R

R

L

V

I

A

L

V

M

V

L

L

G

P

N

R

Q

V

V

P

E

E

L

W

W

W

E

L

T

V

I

I

L

L

A

G

A

C

A

I

K

R

L

A

G

G

A

L

V

I

I

F

I

M

P

P

A

G

S

T

T

I

L

Q

L

M

G

K

P

S

A

T

D

D

L

I

R

L

D

Y

R

R

V

L

D

Q

R

M

G

S

D

K

A

A

R

K

H

A

V

I

V

V

-

A

-

G

-

D

-

E

-

V

I

I

R

Q

S

E

A

V

D

D

T

T

E

V

K

A

F

-

A

S

E

E

V

C

P

P

G

S

D

L

Y

R

T

I

R

K

I

L

A

L

V

V

G

S

E

E

P

K

-

S

V

C

S

D

G

G

W

W

H

L

S

N

F

F

A

K

A

K

A

L

Y

L

S

N

A

E

D

A

A

S

A

T

F

T

S

H

P

H

D

C

G

V

P

E

T

T

G

G

A

S

D

Q

D

E

P

A

L

S

L

A

L

I

Y

Y

F

F

T
|
T

S

S

G

G

T

T

T

S

A

G

K

L

P

P

K

K

L

M

V

A

Q

E

H

H

T

S

H

Y

V

S

S

S

Y

L

P

G

V

L

G

K

H

A

L

K

S

M

T

D

M

A

Y

G

W

W

L

T

G

G

L

L

E

Q

P

A

G

S

D

D

V

I

H

M

L

W

N

T

I

I

S

S

S

D

P

T

G

G

W
|
W

A

I

K

L

H

N

A

I

W

L

S

C

N

S

V

L

F

M

A

E

P

P

W

W

N

A

A

L

E

G

A

A

T

C

V

T

F

F

L

V

Y

H

N

L

Y

L

T

P

R

K

F
|
F

D

D

A

P

D

L

A

V

L

I

M

L

A

K

Q

T

L

L

D

S

R

S

C

Y

G

P

V

I

T

K

S

S

F

M

C

M

A

G

P

A

P

P

T
x
I

V

V

W

Y

R

R

M

M

L

L

I

L

Q

Q

A

Q

D

D

L

L

S

S

A

S

L

Y

R

K

K

F

P

P

P

H

T

L

K

Q

-

N

V

C

V

V

G

T

A
x
V

G
|
G

E
|
E

P
x
S

L

L

N

L

P

P

E

E

V

T

I

L

E

E

Q

N

V

W

R

R

K

A

S

Q

W

T

G

G

V

L

T

D

I

I

R

R

D
x
E

G
x
S

F
x
Y

G
|
G

Q
|
Q

T
|
T

E
|
E

T

T

S

G

V

L

Q

T

I

C

A

M

N

V

T

S

P

K

G

T

Q

M

P

K

V

I

K

K

P

P

G

G

S

Y

M

M

G

G

R

T

A

A

V

A

P

S

G

C

F

Y

R

D

V

V

V

Q

L

I

L

I

D

D

P

D

V

K

S

G

G

N

-

V

-

L

E

P

P

P

S

G

S

T

E

E

G

G

E

D

I

I

C

G

L

I

D

R

L

V

T

K

-

P

H

I

R

R

P

P

V

I

G

G

L

I

M

F

A

S

G

G

Y

Y

A

V

D

D

D

N

D

P

E

D

R

K

T

T

A

A

T

A

A

N

F

I

A

R

G

G

G

D

Y

F

Y

W

H

L

T

L

G

G

D
|
D

V

R

G

G

S

I

I

K

D

D

E

E

N

D

G

G

Y

Y

I

F

T

Q

Y
x
F

V

M

G

G

R
|
R

T

A

D

D

D

D

V

I

F

I

K
x
N

A

S

S
|
S

D
x
G

Y
|
Y

R
|
R

I

I

S

G

P

P

F

S

E

E

L

V

E

E

S

N

V

A

L

L

L

M

E

E

H

H

P

P

A

A

V

V

A

V

E

E

A

T

A

A

V

V

V

I

P

S

S

S

P

P

D

D

P

P

I

V

R

R

L

G

A

E

V

V

P

V

K

K

A

A

Y

F

V

V

V

V

L

L

A

A

A

S

-

Q

-

F

-

L

G

S

H

H

E

D

P

P

S

E

G

Q

E

L

T

T

A

K

E

E

S

-

I

L

L

Q

R

Q

F

H

C

V

R

K

Q

S

N

V

L

T

A

A

P
|
P

Y
|
Y

K

K

R
x
Y

I

P

R
|
R

R

K

L

I

Q

E

F

F

A

V

-

L

D

N

L

L

P

P

K

K

T

T

I

V

S

T

G

G

K
|
K

I

I

R

Q

R

R

V

A

E

K

L

L

R

R

G

D

R

K

E

E

active site: T185 (= T210), T328 (= T352), E329 (= E353), N431 (≠ K452), R436 (= R457), K521 (= K539)
binding adenosine monophosphate: G302 (= G326), E303 (= E327), S304 (≠ P328), E323 (≠ D347), S324 (≠ G348), Y325 (≠ F349), G326 (= G350), Q327 (= Q351), T328 (= T352), D410 (= D431), F422 (≠ Y443), R425 (= R446), R436 (= R457)
binding Butyryl Coenzyme A: W229 (= W254), F255 (= F280), I277 (≠ T302), V301 (≠ A325), S433 (= S454), G434 (≠ D455), Y435 (= Y456), P501 (= P520), Y502 (= Y521), Y504 (≠ R523), R506 (= R525)

2wd9A Crystal structure of human acyl-coa synthetase medium-chain family member 2a (l64p mutation) in complex with ibuprofen (see paper)
35% identity, 89% coverage: 41:549/571 of query aligns to 7:531/533 of 2wd9A

query
sites
2wd9A

E

K

F

F

N

N

W

F

A

A

L

S

D

D

W

V

F

L

D

D

Q

H

I

W

A

A

A

D

D

M

P

E

A

K

N

A

E

G

S

K

R

R

Y

P

-

P

-

S

-

P

A

A

L

L

W

W

I

W

V

V

E

N

E

G

D

K

G

G

S

K

Q

E

G

L

R

M

W

W

T

N

F

F

P

R

E

E

L

L

S

S

R

E

R

N

S

S

S

Q

Q

Q

V

A

A

A

N

N

W

V

L

L

R

S

-

G

Q

A

R

C

G

G

V

L

R

Q

R

R

G

G

D

D

R

R

L

V

I

A

L

V

M

V

L

L

G

P

N

R

Q

V

V

P

E

E

L

W

W

W

E

L

T

V

I

I

L

L

A

G

A

C

A

I

K

R

L

A

G

G

A

L

V

I

I

F

I

M

P

P

A

G

S

T

T

I

L

Q

L

M

G

K

P

S

A

T

D

D

L

I

R

L

D

Y

R

R

V

L

D

Q

R

M

G

S

D

K

A

A

R

K

H

A

V

I

V

V

-

A

-

G

-

D

-

E

-

V

I

I

R

Q

S

E

A

V

D

D

T

T

E

V

K

A

F

-

A

S

E

E

V

C

P

P

G

S

D

L

Y

R

T

I

R

K

I

L

A

L

V

V

G

S

E

E

P

K

-

S

V

C

S

D

G

G

W

W

H

L

S

N

F

F

A

K

A

K

A

L

Y

L

S

N

A

E

D

A

A

S

A

T

F

T

S

H

P

H

D

C

G

V

P

E

T

T

G

G

A

S

D

Q

D

E

P

A

L

S

L

A

L

I

Y

Y

F

F

T
|
T

S

S

G

G

T

T

T

S

A

G

K

L

P

P

K

K

L

M

V

A

Q

E

H

H

T

S

H

Y

V

S

S

S

Y

L

P

G

V

L

G

K

H

A

L

K

S

M

T

D

M

A

Y

G

W

W

L

T

G

G

L

L

E

Q

P

A

G

S

D

D

V

I

H

M

L

W

N

T

I

I

S

S

S

D

P

T

G

G

W

W

A
x
I

K
x
L

H

N

A

I

W

L

S

C

N

S

V

L

F

M

A

E

P

P

W

W

N

A

A

L

E

G

A

A

T

C

V

T

F

F

L

V

Y

H

N

L

Y

L

T

P

R

K

F

F

D

D

A

P

D

L

A

V

L

I

M

L

A

K

Q

T

L

L

D

S

R

S

C

Y

G

P

V

I

T

K

S

S

F

M

C

M

A

G

P

A

P

P

T

I

V

V

W

Y

R

R

M

M

L

L

I

L

Q

Q

A

Q

D

D

L

L

S

S

A

S

L

Y

R

K

K

F

P

P

P

H

T

L

K

Q

-

N

V

C

V

V

G

T

A

V

G

G

E

E

P

S

L

L

N

L

P

P

E

E

V

T

I

L

E

E

Q

N

V

W

R

R

K

A

S

Q

W

T

G

G

V

L

T

D

I

I

R

R

D

E

G

S

F

Y

G
|
G

Q
|
Q

T
|
T

E
|
E

T

T

S

G

V

L

Q

T

I

C

A

M

N

V

T

S

P

K

G

T

Q

M

P

K

V

I

K

K

P

P

G

G

S

Y

M

M

G

G

R

T

A

A

V

A

P

S

G

C

F

Y

R

D

V

V

V

Q

L

I

L

I

D

D

P

D

V

K

S

G

G

N

-

V

-

L

E

P

P

P

S

G

S

T

E

E

G

G

E

D

I

I

C

G

L

I

D

R

L

V

T

K

-

P

H

I

R

R

P

P

V

I

G

G

L

I

M

F

A

S

G

G

Y

Y

A

V

D

D

D

N

D

P

E

D

R

K

T

T

A

A

T

A

A

N

F

I

A

R

G

G

G

D

Y

F

Y

W

H

L

T

L

G

G

D

D

V

R

G

G

S

I

I

K

D

D

E

E

N

D

G

G

Y

Y

I

F

T

Q

Y

F

V

M

G

G

R

R

T

A

D

D

D

D

V

I

F

I

K
x
N

A

S

S

S

D

G

Y

Y

R
|
R

I

I

S

G

P

P

F

S

E

E

L

V

E

E

S

N

V

A

L

L

L

M

E

E

H

H

P

P

A

A

V

V

A

V

E

E

A

T

A

A

V

V

V

I

P

S

S

S

P

P

D

D

P

P

I

V

R

R

L

G

A

E

V

V

P

V

K

K

A

A

Y

F

V

V

V

V

L

L

A

A

A

S

-

Q

-

F

-

L

G

S

H

H

E

D

P

P

S

E

G

Q

E

L

T

T

A

K

E

E

S

-

I

L

L

Q

R

Q

F

H

C

V

R

K

Q

S

N

V

L

T

A

A

P

P

Y

Y

K

K

R

Y

I

P

R

R

R

K

L

I

Q

E

F

F

A

V

-

L

D

N

L

L

P

P

K

K

T

T

I

V

S

T

G

G

K
|
K

I

I

R

Q

R

R

V

A

E

K

L

L

R

R

G

D

R

K

E

E

active site: T185 (= T210), T328 (= T352), E329 (= E353), N431 (≠ K452), R436 (= R457), K521 (= K539)
binding ibuprofen: I230 (≠ A255), L231 (≠ K256), G326 (= G350), Q327 (= Q351), T328 (= T352), R436 (= R457)

2vzeA Crystal structure of human acyl-coa synthetase medium-chain family member 2a (l64p mutation) in complex with amp (see paper)
35% identity, 89% coverage: 41:549/571 of query aligns to 7:531/533 of 2vzeA

query
sites
2vzeA

E

K

F

F

N

N

W

F

A

A

L

S

D

D

W

V

F

L

D

D

Q

H

I

W

A

A

A

D

D

M

P

E

A

K

N

A

E

G

S

K

R

R

Y

P

-

P

-

S

-

P

A

A

L

L

W

W

I

W

V

V

E

N

E

G

D

K

G

G

S

K

Q

E

G

L

R

M

W

W

T

N

F

F

P

R

E

E

L

L

S

S

R

E

R

N

S

S

S

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active site: T185 (= T210), T328 (= T352), E329 (= E353), N431 (≠ K452), R436 (= R457), K521 (= K539)
binding adenosine monophosphate: W229 (= W254), G302 (= G326), E303 (= E327), S304 (≠ P328), E323 (≠ D347), Y325 (≠ F349), G326 (= G350), Q327 (= Q351), T328 (= T352), D410 (= D431), F422 (≠ Y443), R425 (= R446), R436 (= R457)

3c5eA Crystal structure of human acyl-coa synthetase medium-chain family member 2a (l64p mutation) in complex with atp (see paper)
35% identity, 89% coverage: 41:549/571 of query aligns to 10:534/536 of 3c5eA

query
sites
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