SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing HSERO_RS15435 FitnessBrowser__HerbieS:HSERO_RS15435 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)

O69762 Hydroxycinnamoyl-CoA hydratase-lyase; HCHL; P-hydroxycinnamoyl CoA hydratase/lyase; Trans-feruloyl-CoA hydratase/vanillin synthase; EC 4.1.2.61 from Pseudomonas fluorescens (see 2 papers)
33% identity, 90% coverage: 13:253/269 of query aligns to 18:263/276 of O69762

query
sites
O69762

G

G

L

I

A

A

T

F

I

V

T

I

L

L

N

N

R

R

P

P

E

E

I
x
K

H

R

N

N

A

A

F

M

D

S

D

P

Q

T

L

L

I

N

A

R

H

E

L

M

I

I

D

D

L

V

L

L

T

E

Q

T

A

L

R

E

D

Q

D

D

T

P

R

A

T

A

C

G

L

V

L

L

L

V

L

L

A

T

S

G

T

A

G

G

K

E

S

A

F

W

S

T

A
|
A

G

G

A
x
M

D

D

L
|
L

A

K

W

E

M
x
Y

R

F

R

R

M

E

A

V

D

D

A

A

S

G

R

P

E

E

D

I

N

L

L

Q

R

E

D

K

A

I

R

R

K

R

L

E

A

A

-

S

-

Q

L

W

L

Q

M

W

E

K

T

L

L

L

N

R

S

M

F

Y

P

A

T

K

P

P

T

T

L

I

A

A

K

M

V

V

Q

N

G

G

A

W

V

C

M

F

G

G

G
|
G

G

G

V

F

G
x
S

L

P

V

L

S

V

C

A

C

C

D

D

I

L

V

A

V

I

A

C

S

A

D

D

A

E

A

A

F

T

F

F

A

G

L

L

S
|
S

E
|
E

V

I

K

N

L
x
W

G

G

L

I

A

P

P

P

A
x
G

A

N

I

L

S

V

P

S

Y

K

V

A

I

M

A

A

-

D

K

T

M

V

G

G

V

H

S

R

Q

Q

A

S

R

L

R

Y

Y

Y

F

I

V

M

S

T

A

G

E

K

R

T

F

F

P

G

A

G

A

Q

R

K

A

A

A

E

M

M

G

G

L

L

V

V

H

N

E

E

V

S

A

V

P

P

P

L

D

A

E

Q

L

L

D

R

A

E

R

V

T

T

A

I

Q

E

L

L

I

A

D

R

T

N

L

L

A

E

N

K

G

N

P

P

Q

V

A

V

M

L

R

R

A

A

K

K

Q

H

L

G

V

F

Q

K

V

R

A

C

N

R

P

E

L

L

Q

-

V

-

T

T

P

W

E

E

L

Q

S

N

E

E

-

D

-

Y

-

L

Y
|
Y

T

A

A

K

G

L

V

D

I

Q

A

S

D

R

L

L

R

L

A

D

S

T

A

E

E

G

G

G

R

R

E

E

-

Q

G

G

L

M

R

K

A

Q

F

F

L

L

D

D

K29 (≠ I24) binding
A68 (= A63) binding
M70 (≠ A65) binding
L72 (= L67) binding
Y75 (≠ M70) binding
G120 (= G113) binding
S123 (≠ G116) mutation to A: Reduced kcat compared to wild-type but not markerdly.
S142 (= S135) binding
E143 (= E136) mutation to A: Abolishes catalytic activity.
W146 (≠ L139) binding
G151 (≠ A144) binding
Y239 (= Y230) binding ; mutation to F: Increased KM for feruloyl-CoA but retains a significant amount of catalytic activity with a kcat 10 times less than that of the wild-type.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

2vssB Wild-type hydroxycinnamoyl-coa hydratase lyase in complex with acetyl- coa and vanillin (see paper)
34% identity, 75% coverage: 13:213/269 of query aligns to 15:218/247 of 2vssB

query
sites
2vssB

G

G

L

I

A

A

T

F

I

V

T

I

L

L

N

N

R

R

P

P

E
|
E

I
x
K

H
x
R

N

N

A
|
A

F

M

D

S

D

P

Q

T

L

L

I

N

A

R

H

E

L

M

I

I

D

D

L

V

L

L

T

E

Q

T

A

L

R

E

D

Q

D

D

T

P

R

A

T

A

C

G

L

V

L

L

L

V

L

L

A

T

S

G

T

A

G

G

K

E

S

A

F

W

S

T

A
|
A

G

G

A
x
M

D
|
D

L

L

A

K

W

E

M
x
Y

R

F

R

R

M

E

A

V

D
|
D

A

A

S

G

R

P

E

E

D

I

N

L

L

Q

R

E

D

K

A

I

R

R

K
x
R

L

E

A

A

-

S

-
x
Q

L

W

L

Q

M

W

E

K

T

L

L

L

N

R

S

M

F

Y

P

A

T

K

P

P

T

T

L

I

A

A

K

M

V

V

Q

N

G

G

A
x
W

V

C

M
x
F

G

G

G
|
G

G

G

V

F

G
x
S

L

P

V

L

S

V

C

A

C

C

D

D

I

L

V

A

V

I

A

C

S

A

D

D

A

E

A

A

F

T

F

F

A

G

L

L

S
|
S

E
|
E

V

I

K

N

L

W

G

G

L
x
I

A

P

P
|
P

A
x
G

A

N

I

L

S

V

P

S

Y

K

V

A

I

M

A

A

-

D

K

T

M

V

G

G

V

H

S

R

Q

Q

A

S

R

L

R

Y

Y

Y

F

I

V

M

S

T

A

G

E

K

R

T

F

F

P

G

A

G

A

Q

R

K

A

A

A

E

M

M

G

G

L

L

V

V

H

N

E

E

V

S

A

V

P

P

P

L

D

A

E

Q

L

L

D

R

A

E

R

V

T

T

A

I

Q

E

L

L

I

A

D

R

T

N

L

L

A

E

N

K

G

N

P

P

Q

V

A

V

M

L

R

R

A

A

K

K

Q

H

active site: M67 (≠ A65), Y72 (≠ M70), D77 (= D75), R89 (≠ K87), Q93 (vs. gap), G117 (= G113), S120 (≠ G116), S139 (= S135), E140 (= E136), I145 (≠ L141), P147 (= P143), G148 (≠ A144)
binding acetyl coenzyme *a: E25 (= E23), K26 (≠ I24), R27 (≠ H25), A29 (= A27), A65 (= A63), M67 (≠ A65), D68 (= D66), W113 (≠ A109), F115 (≠ M111), G117 (= G113), S139 (= S135), E140 (= E136)

Sites not aligning to the query:

active site: 236, 246

2vssD Wild-type hydroxycinnamoyl-coa hydratase lyase in complex with acetyl- coa and vanillin (see paper)
34% identity, 75% coverage: 13:213/269 of query aligns to 16:219/246 of 2vssD

query
sites
2vssD

G

G

L

I

A

A

T

F

I

V

T

I

L

L

N

N

R

R

P

P

E
|
E

I
x
K

H
x
R

N

N

A
|
A

F

M

D

S

D

P

Q

T

L

L

I

N

A

R

H

E

L

M

I

I

D

D

L

V

L

L

T

E

Q

T

A

L

R

E

D

Q

D

D

T

P

R

A

T

A

C

G

L

V

L

L

L

V

L

L

A

T

S

G

T

A

G

G

K

E

S

A

F

W

S

T

A
|
A

G

G

A
x
M

D
|
D

L
|
L

A

K

W

E

M
x
Y

R
x
F

R

R

M

E

A

V

D
|
D

A

A

S

G

R

P

E

E

D

I

N

L

L

Q

R

E

D

K

A

I

R

R

K
x
R

L

E

A

A

-

S

-
x
Q

L

W

L
x
Q

M

W

E

K

T

L

L

L

N

R

S

M

F

Y

P

A

T

K

P

P

T

T

L

I

A

A

K

M

V

V

Q

N

G

G

A
x
W

V

C

M
x
F

G

G

G
|
G

G

G

V

F

G
x
S

L

P

V

L

S

V

C

A

C

C

D

D

I

L

V

A

V

I

A

C

S

A

D

D

A

E

A

A

F

T

F

F

A

G

L

L

S
|
S

E
|
E

V

I

K

N

L

W

G

G

L
x
I

A

P

P
|
P

A
x
G

A
x
N

I

L

S

V

P

S

Y

K

V

A

I

M

A

A

-

D

K

T

M

V

G

G

V

H

S

R

Q

Q

A

S

R

L

R

Y

Y

Y

F

I

V

M

S

T

A

G

E

K

R

T

F

F

P

G

A

G

A

Q

R

K

A

A

A

E

M

M

G

G

L

L

V

V

H

N

E

E

V

S

A

V

P

P

P

L

D

A

E

Q

L

L

D

R

A

E

R

V

T

T

A

I

Q

E

L

L

I

A

D

R

T

N

L

L

A

E

N

K

G

N

P

P

Q

V

A

V

M

L

R

R

A

A

K

K

Q

H

active site: M68 (≠ A65), Y73 (≠ M70), D78 (= D75), R90 (≠ K87), Q94 (vs. gap), G118 (= G113), S121 (≠ G116), S140 (= S135), E141 (= E136), I146 (≠ L141), P148 (= P143), G149 (≠ A144)
binding acetyl coenzyme *a: E26 (= E23), K27 (≠ I24), R28 (≠ H25), A30 (= A27), A66 (= A63), M68 (≠ A65), D69 (= D66), L70 (= L67), F74 (≠ R71), W114 (≠ A109), F116 (≠ M111), S140 (= S135)
binding 4-hydroxy-3-methoxybenzaldehyde: M68 (≠ A65), Y73 (≠ M70), F74 (≠ R71), Q96 (≠ L91), E141 (= E136), G149 (≠ A144), N150 (≠ A145)

Sites not aligning to the query:

active site: 237

5zaiC Crystal structure of 3-hydroxypropionyl-coa dehydratase from metallosphaera sedula (see paper)
28% identity, 91% coverage: 14:259/269 of query aligns to 14:256/259 of 5zaiC

query
sites
5zaiC

L

L

A

F

T

W

I

I

T

T

L

L

N

N

R

R

P

P

E

D

I
x
K

H
x
L

N

N

A

A

F

L

D

N

D

A

Q

K

L

L

I

L

A

E

H

E

L

L

I

D

D

R

L

A

L

V

T

S

Q

Q

A

A

R

E

D

S

D

D

T

P

R

E

T

I

C

R

L

V

L

I

A

T

S

G

T

K

G

G

K

K

S

A

F

F

S

C

A
|
A

G
|
G

A
|
A

D
|
D

L
x
I

A

T

W

Q

M
x
F

R

N

R

Q

M

L

A

T

D

P

A

A

S

-

R

-

E

-

D

E

N

A

L

W

R

K

D

F

A
x
S

R

K

K

K

L

G

A
x
R

L

E

L

I

M

M

E

D

T

K

L

I

N

E

S

A

F

L

P

S

T

K

P

P

T

T

L

I

A

A

K

M

V

I

Q

N

G

G

A

Y

V

A

M

L

G

G

G
|
G

G

G

V

L

G
x
E

L

L

V

A

S

L

C

A

C

C

D

D

I

I

V

R

V

I

A

A

S

A

D

E

A

E

A

A

F

Q

F

L

A

G

L

L

S
x
P

E
|
E

V

I

K

N

L

L

G

G

L
x
I

A

Y

P
|
P

A
x
G

A

Y

I

G

S

G

P

T

Y

Q

V

R

I

L

A

T

K

R

-

V

M

I

G

G

V

K

S

G

Q

R

A

A

R

L

R

E

Y

M

F

M

V

M

S

T

A

G

E

D

R
|
R

F

I

P

P

A

G

A

K

R

D

A

A

A

E

A

K

M

Y

G

G

L

L

V

V

H

N

E

R

V

V

A

V

P

P

P

L

D

A

E

N

L

L

D

E

A

Q

R

E

T

T

A

R

Q

K

L

L

I

A

D

E

T

K

L

I

L

A

A

K

N

K

G

S

P

P

Q

I

A

S

M

L

R

A

A

L

A

I

K

K

Q

E

L

V

V

V

Q

N

-

R

-

G

V

L

A

D

N

S

P

P

L

L

Q

L

V

S

T

G

P

L

E
x
A

L

L

S

E

E

S

Y

V

T

G

A

W

G

G

V

V

I

V

A
x
F

D

-

L

-

R

-

A

S

S

T

A

E

E

D

G

K

R

K

E

E

G

G

L

V

R

S

A

A

F
|
F

L

L

D

E

K
|
K

D

R

A

E

P

P

A

T

W

F

active site: A65 (= A65), F70 (≠ M70), S82 (≠ A85), R86 (≠ A89), G110 (= G113), E113 (≠ G116), P132 (≠ S135), E133 (= E136), I138 (≠ L141), P140 (= P143), G141 (≠ A144), A226 (≠ E226), F236 (≠ A236)
binding coenzyme a: K24 (≠ I24), L25 (≠ H25), A63 (= A63), G64 (= G64), A65 (= A65), D66 (= D66), I67 (≠ L67), P132 (≠ S135), R166 (= R168), F248 (= F251), K251 (= K254)

6l3pA Crystal strcuture of feruloyl-coa hydratase lyase(fchl) complexed with coa
33% identity, 75% coverage: 13:213/269 of query aligns to 17:215/244 of 6l3pA

query
sites
6l3pA

G

G

L

I

A

A

T

W

I

V

T

T

L

L

N

N

R

R

P

P

E

E

I
x
K

H
x
R

N

N

A
|
A

F

M

D

S

D

P

Q

T

L

L

I

N

A

R

H

E

L

M

I

V

D

D

L

V

L

L

T

E

Q

T

A

L

R

E

D

Q

D

D

T

A

R

D

T

A

C

G

L

V

L

L

L

V

L

L

A

T

S

G

T

A

G

G

K

E

S

S

F

W

S

T

A
|
A

G

G

A
x
M

D
|
D

L
|
L

A

K

W

E

M
x
Y

R

F

R

R

M

-

A

E

D

E

A

I

S

L

R

Q

E

E

D

K

N

I

L

R

R
|
R

D

E

A

A

R

S

K
x
Q

L

W

A

Q

L

W

L

K

M

L

E

-

T

-

L

L

N

R

S

L

F

Y

P

A

T

K

P

P

T

T

L

I

A

A

K

M

V

V

Q

N

G

G

A

W

V

C

M

F

G
|
G

G

G

V

F

G
x
S

L

P

V

L

S

V

C

A

C

C

D

D

I

L

V

A

V

I

A

C

S

A

D

N

A

E

A

A

F

T

F

F

A

G

L

L

S
|
S

E
|
E

V

I

K

N

L

W

G

G

L
x
I

A

P

P
|
P

A
x
G

A

N

I

L

S

V

P

S

Y

K

V

A

I

M

A

A

-

D

K

T

M

V

G

G

V

H

S

R

Q

Q

A

S

R

L

R

Y

Y

Y

F

I

V

M

S

T

A

G

E

K

R

T

F

F

P

D

A

G

A

R

R

K

A

A

A

E

M

M

G

G

L

L

V

V

H

N

E

D

V

S

A

V

P

P

P

L

D

A

E

E

L

L

D

R

A

E

R

T

T

T

A

R

Q

E

L

L

I

A

D

L

T

N

L

L

A

E

N

K

G

N

P

P

Q

V

A

V

M

L

R

R

A

A

K

K

Q

N

active site: M69 (≠ A65), Y74 (≠ M70), R86 (= R83), Q90 (≠ K87), G114 (= G113), S117 (≠ G116), S136 (= S135), E137 (= E136), I142 (≠ L141), P144 (= P143), G145 (≠ A144)
binding coenzyme a: K28 (≠ I24), R29 (≠ H25), A31 (= A27), A67 (= A63), M69 (≠ A65), D70 (= D66), L71 (= L67), G113 (= G112)

Sites not aligning to the query:

active site: 233, 243

6p5uE Structure of an enoyl-coa hydratase/aldolase isolated from a lignin- degrading consortium (see paper)
34% identity, 78% coverage: 13:221/269 of query aligns to 15:226/246 of 6p5uE

query
sites
6p5uE

G

G

L

I

A

A

T

W

I

V

T

S

L

L

N

N

R

R

P

P

E
x
D

I
x
K

H
x
R

N

N

A
|
A

F

M

D

S

D

P

Q

T

L

L

I

N

A

R

H

E

L

M

I

L

D

Q

L

V

L

L

T

E

Q

A

A

L

R

E

D

F

D

D

T

D

R

R

T

C

C

G

L

V

L

L

A

T

S

G

T

E

G

G

K

D

S

S

F

F

S

S

A
|
A

G

G

A
x
M

D
|
D

L
|
L

A

K

W

E

M
x
Y

R

F

R

R

M

E

A

T

D
|
D

-

N

-

A

-

P

A

A

S

L

R

I

E

K

D

A

N

Q

L

I

R

R

D
x
R

A

A

R

A

K

G

L

-

A
|
A

L

W

L

Q

M

W

E

R

T

K

L

L

N

R

S

F

F

Y

P

A

T

K

P

P

T

T

L

I

A

A

K

M

V

V

Q

N

G

G

A
x
W

V

C

M
x
F

G

G

G
|
G

G

A

V

F

G
x
T

L

P

V

L

S

I

C

A

C

C

D

D

I

L

V

A

V

V

A

A

S

A

D

D

A

E

A

A

F

T

F

F

A

G

L

L

S
|
S

E
|
E

V

I

K

N

L
x
W

G

G

L
x
I

A

I

P
|
P

A
|
A

A

G

-

N

I

V

S

T

P

K

Y

A

V

V

I

S

A

Q

K

V

M

C

G

G

V

E

S

R

Q

A

A

A

R

L

R

Y

Y

Y

F

I

V

M

S

S

A

G

E

E

R

P

F

F

P

G

A

G

A

Q

R

K

A

A

A

R

A

E

M

I

G

G

L

L

V

V

H

N

E

E

V

S

A

V

P

P

P

L

D

A

E

A

L

L

D

R

A

E

R

R

T

T

A

R

Q

E

L

L

I

A

D

K

T

T

L

L

A

G

N

K

G

N

P

P

Q

T

A

V

M

L

R

R

A

Q

A

A

K

K

Q

H

L

A

V

L

Q

R

V

R

A

V

N

E

P

P

L

M

active site: M67 (≠ A65), Y72 (≠ M70), D77 (= D75), R89 (≠ D84), A93 (= A89), G117 (= G113), T120 (≠ G116), E140 (= E136), I145 (≠ L141), P147 (= P143), A148 (= A144)
binding coenzyme a: D25 (≠ E23), K26 (≠ I24), R27 (≠ H25), A29 (= A27), A65 (= A63), M67 (≠ A65), D68 (= D66), L69 (= L67), W113 (≠ A109), F115 (≠ M111), S139 (= S135), W143 (≠ L139)

Sites not aligning to the query:

active site: 236, 246

2uzfA Crystal structure of staphylococcus aureus 1,4-dihydroxy-2-naphthoyl coa synthase (menb) in complex with acetoacetyl coa (see paper)
31% identity, 75% coverage: 12:212/269 of query aligns to 16:208/260 of 2uzfA

query
sites
2uzfA

R

E

G

G

L

I

A

A

T

K

I

V

T

T

L

I

N

N

R

R

P

P

E

E

I
x
V

H
x
R

N

N

A

A

F

F

D

T

D

P

Q

K

L

T

I

V

A

A

H

E

L

M

I

I

D

D

L

A

L

F

T

S

Q

R

A

A

R

R

D

D

T

Q

R

N

T

V

C

S

L

V

L

I

L

V

L

L

A

T

S

G

T

E

G

G

K

D

-

L

S

A

F

F

S

C

A
x
S

G
|
G

A
x
G

D
|
D

L

-

A

-

W

-

M

-

R

Q

R

K

M

G

A

E

D

D

A

Q

S

I

R

P

E
x
R

D

L

N

N

L

V

R
x
L

D

D

A

L

R

Q

K

R

L

L

A

I

L

R

L

I

M

I

E

-

T

-

L

-

N

-

S

-

F

-

P

P

T

K

P

P

T

V

L

I

A

A

K

M

V

V

Q

K

G

G

A
x
Y

V

A

M

V

G

G

G
|
G

G

G

V

N

G
x
V

L

L

V

N

S

V

C

V

C

C

D

D

I

L

V

T

V

I

A

A

S

A

D

D

A

N

A

A

F

I

F

F

A

G

L

Q

S
x
T

E
x
G

V

P

K

K

L

V

G

G

L
x
S

A

F

P
x
D

A
|
A

A

G

I

Y

-

G

S

S

P

G

Y

Y

V

L

I

A

A

R

K

I

M

V

G

G

V

H

S

K

Q

K

A

A

R

R

R

E

Y

I

F

W

V

Y

S

L

A

C

E

R

R

Q

F

Y

P

N

A

A

A

Q

R

E

A

A

A

L

A

D

M

M

G

G

L

L

V

V

H

N

E

T

V

V

A

V

P

P

P

L

D

E

E

K

L

V

D

E

A

D

R

E

T

T

A

V

Q

Q

L

W

I

C

D

K

T

E

L

I

L

M

A

K

N

H

G

S

P

P

Q

T

A

A

M

L

R

R

A

F

A

L

K

K

active site: G70 (≠ A65), R80 (≠ E79), L84 (≠ R83), G108 (= G113), V111 (≠ G116), T130 (≠ S135), G131 (≠ E136), S136 (≠ L141), D138 (≠ P143), A139 (= A144)
binding acetoacetyl-coenzyme a: V28 (≠ I24), R29 (≠ H25), S68 (≠ A63), G69 (= G64), G70 (≠ A65), D71 (= D66), Y104 (≠ A109), G108 (= G113)

Sites not aligning to the query:

active site: 225, 233

Q8GYN9 1,4-dihydroxy-2-naphthoyl-CoA synthase, peroxisomal; DHNS; Enoyl-CoA hydratase/isomerase D; ECHID; Naphthoate synthase; EC 4.1.3.36 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
32% identity, 74% coverage: 13:212/269 of query aligns to 86:285/337 of Q8GYN9

query
sites
Q8GYN9

G

G

L

I

A

A

T

K

I

I

T

T

L

I

N

N

R

R

P

P

E

E

I

R

H

R

N

N

A

A

F

F

D

R

D

P

Q

Q

L

T

I

V

A

K

H

E

L

L

I

M

D

R

L

A

L

F

T

N

Q

D

A

A

R

R

D

D

T

S

R

S

T

V

C

G

L

V

L

I

L

L

A

T

S

G

T

K

G

G

-

T

K

K

S

A

F

F

S

C

A

S

G

G

A

G

D

D

L

Q

A

A

W

L

M

-

R

-

R

R

M

T

A

Q

D

D

A

G

S

Y

R

A

E

D

D

P

N

N

L

-

R

-

D

D

A

V

R

G

K

R

L

L

A

N

L

V

-

L

-

D

L

L

M

Q

E

V

T

Q

L

I

N

R

S

R

F

L

P

P

T

K

P

P

T

V

L

I

A

A

K

M

V

V

Q

A

G

G

A

Y

V

A

M

V

G

G

V

H

G

I

L

L

V

H

S

M

C

V

C

C

D

D

I

L

V

T

V

I

A

A

S

A

D

D

A

N

A

A

F

I

F

F

A

G

L

Q

S

T

E

G

V

P

K

K

L

V

G

G

L

S

A

F

P

D

A

A

A

G

I

Y

S

G

P

S

Y

S

V

I

I

M

A

S

K

R

M

L

-

V

G

G

V

P

S

K

Q

K

A

A

R

R

R

E

Y

M

F

W

V

F

S

M

A

T

E

R

R

F

F

Y

P

T

A

A

A

S

R

E

A

A

A

E

A

K

M

M

G

G

L

L

V

I

H

N

E

T

V

V

A

V

P

P

P

L

D

E

E

D

L

L

D

E

A

K

R

E

T

T

A

V

Q

K

L

W

I

C

D

R

T

E

L

I

L

L

A

R

N

N

G

S

P

P

Q

T

A

A

M

I

R

R

A

V

A

L

K

K

Sites not aligning to the query:

20 H→V: Loss of peroxisomal targeting.

Q5HH38 1,4-dihydroxy-2-naphthoyl-CoA synthase; DHNA-CoA synthase; EC 4.1.3.36 from Staphylococcus aureus (strain COL) (see paper)
31% identity, 74% coverage: 13:212/269 of query aligns to 22:221/273 of Q5HH38

query
sites
Q5HH38

G

G

L

I

A

A

T

K

I

V

T

T

L

I

N

N

R

R

P

P

E

E

I

V

H
x
R

N

N

A

A

F

F

D

T

D

P

Q

K

L

T

I

V

A

A

H

E

L

M

I

I

D

D

L

A

L

F

T

S

Q

R

A

A

R

R

D

D

T

Q

R

N

T

V

C

S

L

V

L

I

L

V

L

L

A

T

S

G

T

E

G

G

K

D

-

L

S

A

F

F

S

C

A
x
S

G
|
G

A
x
G

D
|
D

L
x
Q

A

K

W

-

M

K

R

R

R

G

M

H

A

G

D

G

A

Y

S

V

R

G

E

E

D

D

-

Q

-

I

-

P

-

R

-

L

N

N

L

V

R

L

D

D

A

L

R

Q

K

R

L

L

A

I

L

R

L

I

M

I

E

-

T

-

L

-

N

-

S

-

F

-

P

P

T

K

P

P

T

V

L

I

A

A

K

M

V

V

Q

K

G

G

A

Y

V

A

M

V

G

G

V

N

G

V

L

L

V

N

S

V

C

V

C

C

D

D

I

L

V

T

V

I

A

A

S

A

D

D

A

N

A

A

F

I

F

F

A

G

L

Q

S

T

E

G

V

P

K

K

L

V

G

G

L
x
S

A

F

P

D

A

A

A

G

I

Y

-

G

S

S

P

G

Y

Y

V

L

I

A

A

R

K

I

M

V

G

G

V

H

S

K

Q

K

A

A

R

R

R

E

Y

I

F

W

V

Y

S

L

A

C

E

R

R

Q

F

Y

P

N

A

A

A

Q

R

E

A

A

A

L

A

D

M

M

G

G

L

L

V

V

H

N

E

T

V

V

A

V

P

P

P

L

D

E

E

K

L

V

D

E

A

D

R

E

T

T

A

V

Q

Q

L

W

I

C

D

K

T

E

L

I

L

M

A

K

N

H

G

S

P

P

Q

T

A

A

M

L

R

R

A

F

A

L

K

K

R34 (≠ H25) binding in other chain
SGGDQ 73:77 (≠ AGADL 63:67) binding in other chain
S149 (≠ L141) binding in other chain

4i42A E.Coli. 1,4-dihydroxy-2-naphthoyl coenzyme a synthase (ecmenb) in complex with 1-hydroxy-2-naphthoyl-coa (see paper)
28% identity, 93% coverage: 13:261/269 of query aligns to 33:280/285 of 4i42A

query
sites
4i42A

G

G

L

I

A

A

T

K

I

I

T

T

L

I

N

N

R

R

P

P

E

Q

I
x
V

H
x
R

N

N

A

A

F

F

D

R

D

P

Q

L

L

T

I

V

A

K

H

E

L

M

I

I

D

Q

L

A

L

L

T

A

Q

D

A

A

R

R

D

Y

D

D

T

D

R

N

T

I

C

G

L

V

L

I

L

L

A

T

S

G

T

A

G

G

-

D

K

K

S

A

F

F

S

C

A
x
S

G
|
G

A
x
G

D
|
D

L
x
Q

A
x
K

W

-

M

V

R
|
R

R

G

M

D

A

Y

D

G

A

G

S
x
Y

R

K

E

D

D

D

N

S

L

G

R

V

D

H

A
x
H

R

L

K

N

L
x
V

A
x
L

L

D

L

F

M

Q

E

R

T

Q

L

I

N

R

S

T

F

C

P

P

T

K

P

P

T

V

L

V

A

A

K

M

V

V

Q

A

G

G

A
x
Y

V

S

M

I

G

G

G
|
G

G

G

V

H

G
x
V

L

L

V

H

S

M

C

M

C

C

D

D

I

L

V

T

V

I

A

A

S

A

D

D

A

N

A

A

F

I

F

F

A

G

L

Q

S
x
T

E
x
G

V

P

K

K

L

V

G

G

L
x
S

A

F

P
x
D

A
x
G

A

G

I

W

S

G

P

A

Y

S

V

Y

I

M

A

A

K

R

M

I

-

V

G

G

V

Q

S

K

Q

K

A

A

R

R

R

E

Y

I

F

W

V

F

S

L

A

C

E

R

R

Q

F

Y

P

D

A

A

A

K

R

Q

A

A

A

L

A

D

M

M

G

G

L

L

V

V

H

N

E

T

V

V

A

V

P

P

P

L

D

A

E

D

L

L

D

E

A

K

R

E

T

T

A

V

Q

R

L

W

I

C

D

R

T

E

L

M

L

L

A

Q

N

N

G

S

P

P

Q

M

A

A

M

L

R

R

A

C

A

L

K

K

Q

A

L

A

V

L

Q

N

V

A

A

D

N

C

P

D

L

G

Q

Q

V

A

T

G

P

-

E

-

L

L

S

Q

E

E

Y

L

T
x
A

A

G

G

N

V

A

I
x
T

A

M

D

L

L

F

R
x
Y

A

M

S

T

A

E

E

E

G

G

R

Q

E

E

G

G

L

R

R

N

A

A

F
|
F

L

N

D

Q

K
|
K

D

R

A

Q

P

P

A

D

W

F

T

S

R

K

active site: G86 (≠ A65), R91 (= R71), Y97 (≠ S77), H105 (≠ A85), L109 (≠ A89), G133 (= G113), V136 (≠ G116), G156 (≠ E136), S161 (≠ L141), D163 (≠ P143), G164 (≠ A144), A250 (≠ T231), Y258 (≠ R239)
binding 1-hydroxy-2-naphthoyl-CoA: V44 (≠ I24), R45 (≠ H25), S84 (≠ A63), G85 (= G64), G86 (≠ A65), D87 (= D66), Q88 (≠ L67), K89 (≠ A68), Y97 (≠ S77), V108 (≠ L88), Y129 (≠ A109), G133 (= G113), T155 (≠ S135), S161 (≠ L141), T254 (≠ I235), F270 (= F251), K273 (= K254)

P0ABU0 1,4-dihydroxy-2-naphthoyl-CoA synthase; DHNA-CoA synthase; EC 4.1.3.36 from Escherichia coli (strain K12) (see 4 papers)
28% identity, 93% coverage: 13:261/269 of query aligns to 33:280/285 of P0ABU0

query
sites
P0ABU0

G

G

L

I

A

A

T

K

I

I

T

T

L

I

N

N

R

R

P

P

E

Q

I

V

H
x
R

N

N

A

A

F

F

D

R

D

P

Q

L

L

T

I

V

A

K

H

E

L

M

I

I

D

Q

L

A

L

L

T

A

Q

D

A

A

R

R

D

Y

D

D

T

D

R

N

T

I

C

G

L

V

L

I

L

L

A

T

S

G

T

A

G

G

-

D

K

K

S

A

F

F

S

C

A
x
S

G
|
G

A
x
G

D
|
D

L
x
Q

A
x
K

W

-

M

V

R
|
R

R

G

M

D

A

Y

D

G

A

G

S
x
Y

R

K

E

D

D

D

N

S

L

G

R

V

D

H

A

H

R

L

K

N

L

V

A

L

L

D

L

F

M

Q

E

R

T

Q

L

I

N

R

S

T

F

C

P

P

T

K

P

P

T

V

L

V

A

A

K

M

V

V

Q

A

G

G

A
x
Y

V
x
S

M
x
I

G
|
G

G

G

V

H

G

V

L

L

V

H

S

M

C

M

C

C

D

D

I

L

V

T

V

I

A

A

S

A

D

D

A

N

A

A

F

I

F

F

A

G

L
x
Q

S
x
T

E
x
G

V

P

K

K

L

V

G

G

L
x
S

A

F

P

D

A

G

I

W

S

G

P

A

Y

S

V

Y

I

M

A

A

K

R

M

I

-

V

G

G

V

Q

S

K

Q

K

A

A

R

R

R

E

Y

I

F
x
W

V

F

S

L

A

C

E

R

R

Q

F

Y

P

D

A

A

A

K

R

Q

A

A

A

L

A

D

M

M

G

G

L

L

V

V

H

N

E

T

V

V

A

V

P

P

P

L

D

A

E

D

L

L

D

E

A

K

R

E

T

T

A

V

Q

R

L

W

I

C

D

R

T

E

L

M

L

L

A

Q

N

N

G

S

P

P

Q

M

A

A

M

L

R

R

A

C

A

L

K

K

Q

A

L

A

V

L

Q

N

V

A

A

D

N

C

P

D

L

G

Q

Q

V

A

T

G

P

-

E

-

L

L

S

Q

E

E

Y

L

T

A

A

G

G

N

V

A

I

T

A

M

D

L

L

F

R
x
Y

A

M

S

T

A

E

E

E

G

G

R

Q

E

E

G

G

L
x
R

R

N

A

A

F
|
F

L

N

D

Q

K
|
K

D

R

A

Q

P

P

A

D

W

F

T

S

R

K

R45 (≠ H25) binding in other chain
SGGDQK 84:89 (≠ AGADLA 63:68) binding in other chain
K89 (≠ A68) mutation to A: Strongly decreases affinity for substrate and DHNA-CoA synthase activity.
R91 (= R71) mutation to A: Loss of DHNA-CoA synthase activity.
Y97 (≠ S77) binding in other chain; mutation to F: Loss of DHNA-CoA synthase activity.
YSIGG 129:133 (≠ AVMGG 109:113) binding in other chain
Q154 (≠ L134) mutation to A: Reduces the specific DHNA-CoA synthase activity by 15-fold, whereas its affinity for hydrogencarbonate is reduced by 36-fold.
QTG 154:156 (≠ LSE 134:136) binding
T155 (≠ S135) binding in other chain
G156 (≠ E136) mutation to D: Loss of DHNA-CoA synthase activity.
S161 (≠ L141) binding in other chain
W184 (≠ F163) mutation to F: Reduces the specific DHNA-CoA synthase activity by 530-fold, whereas its affinity for hydrogencarbonate is reduced by 20-fold.
Y258 (≠ R239) binding
R267 (≠ L248) mutation to A: Strongly decreases affinity for substrate and DHNA-CoA synthase activity.
F270 (= F251) mutation to A: Strongly decreases affinity for substrate and DHNA-CoA synthase activity.
K273 (= K254) binding ; mutation to A: Impairs protein folding.

3t88A Crystal structure of escherichia coli menb in complex with substrate analogue, osb-ncoa (see paper)
28% identity, 93% coverage: 13:261/269 of query aligns to 29:276/281 of 3t88A

query
sites
3t88A

G

G

L

I

A

A

T

K

I

I

T

T

L

I

N

N

R

R

P

P

E
x
Q

I
x
V

H
x
R

N

N

A
|
A

F

F

D

R

D

P

Q

L

L

T

I

V

A

K

H

E

L

M

I

I

D

Q

L

A

L

L

T

A

Q

D

A

A

R

R

D

Y

D

D

T

D

R

N

T

I

C

G

L

V

L

I

L

L

A

T

S

G

T

A

G

G

-

D

K

K

S

A

F

F

S

C

A
x
S

G
|
G

A
x
G

D
|
D

L
x
Q

A
x
K

W

-

M

V

R
|
R

R

G

M

D

A

Y

D

G

A

G

S
x
Y

R

K

E

D

D

D

N

S

L

G

R

V

D

H

A
x
H

R

L

K

N

L
x
V

A
x
L

L

D

L

F

M

Q

E

R

T

Q

L

I

N

R

S

T

F

C

P

P

T

K

P

P

T

V

L

V

A

A

K

M

V

V

Q

A

G

G

A
x
Y

V

S

M

I

G

G

G
|
G

G

G

V

H

G
x
V

L

L

V

H

S

M

C

M

C

C

D

D

I

L

V

T

V

I

A

A

S

A

D

D

A

N

A

A

F

I

F

F

A

G

L

Q

S
x
T

E
x
G

V

P

K

K

L
x
V

G

G

L
x
S

A
x
F

P
x
D

A
x
G

A

G

I

W

S

G

P

A

Y

S

V

Y

I

M

A

A

K

R

M

I

-

V

G

G

V

Q

S

K

Q

K

A

A

R

R

R

E

Y

I

F

W

V

F

S

L

A

C

E

R

R

Q

F

Y

P

D

A

A

A

K

R

Q

A

A

A

L

A

D

M

M

G

G

L

L

V

V

H

N

E

T

V

V

A

V

P

P

P

L

D

A

E

D

L

L

D

E

A

K

R

E

T

T

A

V

Q

R

L

W

I

C

D

R

T

E

L

M

L

L

A

Q

N

N

G

S

P

P

Q

M

A

A

M

L

R

R

A

C

A

L

K

K

Q

A

L

A

V

L

Q

N

V

A

A

D

N

C

P

D

L

G

Q

Q

V

A

T

G

P

-

E

-

L

L

S

Q

E

E

Y

L

T
x
A

A

G

G

N

V

A

I
x
T

A

M

D

L

L

F

R
x
Y

A

M

S

T

A

E

E

E

G

G

R

Q

E

E

G

G

L

R

R

N

A

A

F
|
F

L

N

D

Q

K
|
K

D

R

A

Q

P

P

A

D

W

F

T

S

R

K

active site: G82 (≠ A65), R87 (= R71), Y93 (≠ S77), H101 (≠ A85), L105 (≠ A89), G129 (= G113), V132 (≠ G116), G152 (≠ E136), S157 (≠ L141), D159 (≠ P143), G160 (≠ A144), A246 (≠ T231), Y254 (≠ R239)
binding o-succinylbenzoyl-N-coenzyme A: Q39 (≠ E23), V40 (≠ I24), R41 (≠ H25), A43 (= A27), S80 (≠ A63), G81 (= G64), G82 (≠ A65), D83 (= D66), Q84 (≠ L67), K85 (≠ A68), Y93 (≠ S77), V104 (≠ L88), L105 (≠ A89), Y125 (≠ A109), G129 (= G113), T151 (≠ S135), V155 (≠ L139), F158 (≠ A142), D159 (≠ P143), T250 (≠ I235), Y254 (≠ R239), F266 (= F251), K269 (= K254)

3q0gD Crystal structure of the mycobacterium tuberculosis crotonase bound to a reaction intermediate derived from crotonyl coa
33% identity, 92% coverage: 14:260/269 of query aligns to 13:250/250 of 3q0gD

query
sites
3q0gD

L

V

A

G

T

I

I

I

T

T

L

L

N

N

R

R

P

P

E

Q

I

A

H

L

N

N

A

A

F

L

D

N

D

S

Q

Q

L

V

I

M

A

N

H

E

L

V

I

T

D

S

L

A

T

T

Q

E

A

L

R

D

D

D

T

P

R

D

T

I

C

G

L

A

L

I

A

T

S

G

T

S

G

A

K

K

S

A

F

F

S

A

A

A

G

G

A
|
A

D

D

L

I

A

K

W

E

M
|
M

R

-

M

F

A

A

D

D

A

A

S

F

R
x
T

E

A

D

D

N

F

L
x
F

R

A

D

T

A

W

R

G

K

K

L

L

A

A

L

-

M

-

E

-

T

-

L

-

N

-

S

A

F

V

P

R

T

T

P

P

T

T

L

I

A

A

K

A

V

V

Q

A

G

G

A

Y

V

A

M

L

G

G

G
|
G

G

G

V

C

G
x
E

L

L

V

A

S

M

C

M

C

C

D

D

I

V

V

L

V

I

A

A

S

A

D

D

A

T

A

A

F

K

F

F

A

G

L

Q

S
x
P

E
|
E

V

I

K

K

L

L

G

G

L
x
V

A

L

P
|
P

A
x
G

-

M

A

G

I

G

S

S

P

Q

Y

R

V

L

I

T

A

R

K

A

M

I

G

G

V

K

S

A

Q

K

A

A

R

M

R

D

Y

L

F

I

V

L

S

T

A

G

E

R

R

T

F

M

P

D

A

A

R

E

A

A

A

E

A

R

M

S

G

G

L

L

V

V

H

S

E

R

V

V

A

V

P

P

P

A

D

D

E

D

L

L

-

L

-

T

D

E

A

A

R

R

-

A

T

T

A

A

Q

T

L

T

I

I

D

S

T

Q

L

M

L

S

A

A

N

S

G

-

P

-

Q

-

A

A

M

A

R

R

A

M

A

A

K

K

Q

E

L

A

V

V

Q

N

V

R

A

A

N

F

P

E

L

S

Q

S

V

L

T

S

P

E

E

G

L

L

S
x
L

E

-

Y

Y

T

E

A

R

G

R

V

L

I
x
F

A

H

D

S

L

A

R
x
F

A

A

S

T

A

E

E

D

G

Q

R

S

E

E

G

G

L

M

R

A

A

A

F
|
F

L

I

D

E

K

K

D

R

A

A

P

P

A

Q

W

F

T

T

active site: A64 (= A65), M69 (= M70), T75 (≠ R78), F79 (≠ L82), G103 (= G113), E106 (≠ G116), P125 (≠ S135), E126 (= E136), V131 (≠ L141), P133 (= P143), G134 (≠ A144), L219 (≠ S228), F229 (≠ R239)
binding Butyryl Coenzyme A: F225 (≠ I235), F241 (= F251)

4elxA Structure of apo e.Coli. 1,4-dihydroxy-2- naphthoyl coa synthases with cl (see paper)
28% identity, 93% coverage: 13:261/269 of query aligns to 30:263/268 of 4elxA

query
sites
4elxA

G

G

L

I

A

A

T

K

I

I

T

T

L

I

N

N

R

R

P

P

E

Q

I

V

H

R

N

N

A

A

F

F

D

R

D

P

Q

L

L

T

I

V

A

K

H

E

L

M

I

I

D

Q

L

A

L

L

T

A

Q

D

A

A

R

R

D

Y

D

D

T

D

R

N

T

I

C

G

L

V

L

I

L

L

A

T

S

G

T

A

G

G

-

D

K

K

S

A

F

F

S

C

A

S

G

G

A
x
G

D

D

L

Q

A

K

W

H

M
x
H

R

L

R

N

M

V

A
x
L

D

D

A

F

S

Q

R

R

E

Q

D

-

N

-

L

-

R

-

D

-

A

-

R

-

K

-

L

-

A

-

L

-

M

-

E

-

T

-

L

I

N

R

S

T

F

C

P

P

T

K

P

P

T

V

L

V

A

A

K

M

V

V

Q

A

G

G

A

Y

V

S

M

I

G
|
G

G

G

V

H

G
x
V

L

L

V

H

S

M

C

M

C

C

D

D

I

L

V

T

V

I

A

A

S

A

D

D

A

N

A

A

F

I

F

F

A

G

L

Q

S

T

E
x
G

V

P

K

K

L

V

G

G

L
x
S

A

F

P
x
D

A
x
G

A

G

I

W

S

G

P

A

Y

S

V

Y

I

M

A

A

K

R

M

I

-

V

G

G

V

Q

S

K

Q

K

A

A

R

R

R

E

Y

I

F
x
W

V

F

S

L

A

C

E

R

R

Q

F

Y

P

D

A

A

A

K

R

Q

A

A

A

L

A

D

M

M

G

G

L

L

V

V

H

N

E

T

V

V

A

V

P

P

P

L

D

A

E

D

L

L

D

E

A

K

R

E

T

T

A

V

Q

R

L

W

I

C

D

R

T

E

L

M

L

L

A

Q

N

N

G

S

P

P

Q

M

A

A

M

L

R

R

A

C

A

L

K

K

Q

A

L

A

V

L

Q

N

V

A

A

D

N

C

P

D

L

G

Q

Q

V

A

T

G

P

-

E

-

L

L

S

Q

E

E

Y

L

T
x
A

A

G

G

N

V

A

I

T

A

M

D

L

L

F

R
x
Y

A

M

S

T

A

E

E

E

G

G

R

Q

E

E

G

G

L

R

R

N

A

A

F

F

L

N

D

Q

K

K

D

R

A

Q

P

P

A

D

W

F

T

S

R

K

active site: G83 (≠ A65), H88 (≠ M70), L92 (≠ A74), G116 (= G113), V119 (≠ G116), G139 (≠ E136), S144 (≠ L141), D146 (≠ P143), G147 (≠ A144), A233 (≠ T231), Y241 (≠ R239)
binding chloride ion: G115 (= G112), G139 (≠ E136), W167 (≠ F163)

3h81A Crystal structure of enoyl-coa hydratase from mycobacterium tuberculosis (see paper)
33% identity, 91% coverage: 17:262/269 of query aligns to 16:256/256 of 3h81A

query
sites
3h81A

I

I

T

T

L

L

N

N

R

R

P

P

E

Q

I

A

H

L

N

N

A

A

F

L

D

N

D

S

Q

Q

L

V

I

M

A

N

H

E

L

V

I

T

D

S

L

A

T

T

Q

E

A

L

R

D

D

D

T

P

R

D

T

I

C

G

L

A

L

I

A

T

S

G

T

S

G

A

K

K

S

A

F

F

S

A

A

A

G

G

A
|
A

D

D

L

I

A

K

W

E

M
|
M

R

A

R

D

M

L

-

T

-

F

A

A

D

D

A

A

S

F

R
x
T

E

A

D

D

N

F

L
x
F

R

A

D

T

A

W

R

G

K

K

L

L

A

A

L

-

M

-

E

-

T

-

L

-

N

-

S

A

F

V

P

R

T

T

P

P

T

T

L

I

A

A

K

A

V

V

Q

A

G

G

A

Y

V

A

M

L

G

G

G
|
G

G

G

V

C

G
x
E

L

L

V

A

S

M

C

M

C

C

D

D

I

V

V

L

V

I

A

A

S

A

D

D

A

T

A

A

F

K

F

F

A

G

L

Q

S
x
P

E
|
E

V

I

K

K

L

L

G

G

L
x
V

A

L

P
|
P

A
x
G

-

M

A

G

I

G

S

S

P

Q

Y

R

V

L

I

T

A

R

K

A

M

I

G

G

V

K

S

A

Q

K

A

A

R

M

R

D

Y

L

F

I

V

L

S

T

A

G

E

R

R

T

F

M

P

D

A

A

R

E

A

A

A

E

A

R

M

S

G

G

L

L

V

V

H

S

E

R

V

V

A

V

P

P

P

A

D

D

E

D

L

L

-

L

-

T

D

E

A

A

R

R

-

A

T

T

A

A

Q

T

L

T

I

I

D

S

T

Q

L

M

L

S

A

A

N

S

G

-

P

-

Q

-

A

A

M

A

R

R

A

M

A

A

K

K

Q

E

L

A

V

V

Q

N

V

R

A

A

N

F

P

E

L

S

Q

S

V

L

T

S

P

E

E

G

L

L

S
x
L

E

-

Y

Y

T

E

A

R

G

R

V

L

I

F

A

H

D

S

L

A

R
x
F

A

A

S

T

A

E

E

D

G
x
Q

R

S

E

E

G

G

L

M

R

A

A

A

F

F

L

I

D

E

K

K

D

R

A

A

P

P

A

Q

W

F

T

T

R

H

Q

R

active site: A64 (= A65), M69 (= M70), T79 (≠ R78), F83 (≠ L82), G107 (= G113), E110 (≠ G116), P129 (≠ S135), E130 (= E136), V135 (≠ L141), P137 (= P143), G138 (≠ A144), L223 (≠ S228), F233 (≠ R239)
binding calcium ion: F233 (≠ R239), Q238 (≠ G244)

Q7CQ56 1,4-dihydroxy-2-naphthoyl-CoA synthase; DHNA-CoA synthase; EC 4.1.3.36 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
28% identity, 93% coverage: 13:261/269 of query aligns to 33:280/285 of Q7CQ56

query
sites
Q7CQ56

G

G

L

I

A

A

T

K

I

I

T

T

L

I

N

N

R

R

P

P

E

Q

I

V

H

R

N

N

A

A

F

F

D

R

D

P

Q

L

L

T

I

V

A

K

H

E

L

M

I

I

D

Q

L

A

L

L

T

A

Q

D

A

A

R

R

D

Y

D

D

T

D

R

N

T

V

C

G

L

V

L

I

L

L

A

T

S

G

T

E

G

G

-

D

K

K

S

A

F

F

S

C

A

A

G

G

A

G

D

D

L

Q

A

K

W

-

M

V

R

R

R

G

M

D

A

Y

D

G

A

G

S

Y

R

Q

E

D

D

D

N

S

L

G

R

V

D

H

A

H

R

L

K

N

L

V

A

L

L

D

L

F

M

Q

E

R

T

Q

L

I

N

R

S

T

F

C

P

P

T

K

P

P

T

V

L

V

A

A

K

M

V

V

Q

A

G

G

A

Y

V

S

M

I

G

G

V

H

G

V

L

L

V

H

S

M

C

M

C

C

D

D

I

L

V

T

V

I

A

A

S

A

D

E

A

N

A

A

F

I

F

F

A

G

L
x
Q

S
x
T

E
x
G

V

P

K

K

L

V

G

G

L

S

A

F

P

D

A

G

I

W

S

G

P

A

Y

S

V

Y

I

M

A

A

K

R

M

I

-

V

G

G

V

Q

S

K

Q

K

A

A

R

R

R

E

Y

I

F

W

V

F

S

L

A

C

E

R

R

Q

F

Y

P

D

A

A

A

Q

R

Q

A

A

A

L

A

D

M

M

G

G

L

L

V

V

H

N

E

T

V

V

A

V

P

P

P

L

D

A

E

D

L

L

D

E

A

K

R

E

T

T

A

V

Q

R

L

W

I

C

D

R

T

E

L

M

L

L

A

Q

N

N

G

S

P

P

Q

M

A

A

M

L

R

R

A

C

A

L

K

K

Q

A

L

A

V

L

Q

N

V

A

A

D

N

C

P

D

L

G

Q

Q

V

A

T

G

P

-

E

-

L

L

S

Q

E

E

Y

L

T

A

A

G

G

N

V

A

I

T

A

M

D

L

L

F

R

Y

A

M

S

T

A

E

E

E

G

G

R

Q

E

E

G

G

L

R

R

N

A

A

F

F

L

N

D

Q

K

K

D

R

A

Q

P

P

A

D

W

F

T

S

R

K

QTG 154:156 (≠ LSE 134:136) binding

3q0jC Crystal structure of the mycobacterium tuberculosis crotonase in complex with the inhibitor acetoacetylcoa
33% identity, 91% coverage: 17:260/269 of query aligns to 17:255/255 of 3q0jC

query
sites
3q0jC

I

I

T

T

L

L

N

N

R

R

P

P

E
x
Q

I
x
A

H
x
L

N

N

A
|
A

F

L

D

N

D

S

Q

Q

L

V

I

M

A

N

H

E

L

V

I

T

D

S

L

A

T

T

Q

E

A

L

R

D

D

D

T

P

R

D

T

I

C

G

L

A

L

I

A

T

S

G

T

S

G

A

K

K

S

A

F

F

S

A

A
|
A

G
|
G

A
|
A

D
|
D

L
x
I

A
x
K

W

E

M
|
M

R

A

R

D

M

L

-

T

-

F

A

A

D

D

A

A

S

F

R
x
T

E

A

D

D

N

F

L
x
F

R

A

D

T

A

W

R

G

K

K

L

L

A

A

L

-

M

-

E

-

T

-

L

-

N

-

S

A

F

V

P

R

T

T

P

P

T

T

L

I

A

A

K

A

V

V

Q

A

G

G

A

Y

V

A

M

L

G
|
G

G

G

V

C

G
x
E

L

L

V

A

S

M

C

M

C

C

D

D

I

V

V

L

V

I

A

A

S

A

D

D

A

T

A

A

F

K

F

F

A

G

L

Q

S
x
P

E
|
E

V

I

K

K

L

L

G

G

L
x
V

A

L

P
|
P

A
x
G

-
x
M

A

G

I

G

S

S

P

Q

Y

R

V

L

I

T

A

R

K

A

M

I

G

G

V

K

S

A

Q

K

A

A

R

M

R

D

Y

L

F

I

V

L

S

T

A

G

E

R

R

T

F

M

P

D

A

A

R

E

A

A

A

E

A

R

M

S

G

G

L

L

V

V

H

S

E

R

V

V

A

V

P

P

P

A

D

D

E

D

L

L

-

L

-

T

D

E

A

A

R

R

-

A

T

T

A

A

Q

T

L

T

I

I

D

S

T

Q

L

M

L

S

A

A

N

S

G

-

P

-

Q

-

A

A

M

A

R

R

A

M

A

A

K

K

Q

E

L

A

V

V

Q

N

V

R

A

A

N

F

P

E

L

S

Q

S

V

L

T

S

P

E

E

G

L

L

S
x
L

E

-

Y

Y

T

E

A

R

G

R

V

L

I

F

A

H

D

S

L

A

R
x
F

A

A

S

T

A

E

E

D

G

Q

R

S

E

E

G

G

L

M

R

A

A

A

F

F

L

I

D

E

K

K

D

R

A

A

P

P

A

Q

W

F

T

T

active site: A65 (= A65), M70 (= M70), T80 (≠ R78), F84 (≠ L82), G108 (= G113), E111 (≠ G116), P130 (≠ S135), E131 (= E136), V136 (≠ L141), P138 (= P143), G139 (≠ A144), L224 (≠ S228), F234 (≠ R239)
binding acetoacetyl-coenzyme a: Q23 (≠ E23), A24 (≠ I24), L25 (≠ H25), A27 (= A27), A63 (= A63), G64 (= G64), A65 (= A65), D66 (= D66), I67 (≠ L67), K68 (≠ A68), M70 (= M70), F84 (≠ L82), G107 (= G112), G108 (= G113), E111 (≠ G116), P130 (≠ S135), E131 (= E136), P138 (= P143), G139 (≠ A144), M140 (vs. gap)

3q0gC Crystal structure of the mycobacterium tuberculosis crotonase bound to a reaction intermediate derived from crotonyl coa
33% identity, 91% coverage: 17:260/269 of query aligns to 17:255/255 of 3q0gC

query
sites
3q0gC

I

I

T

T

L

L

N

N

R

R

P

P

E

Q

I

A

H
x
L

N

N

A

A

F

L

D

N

D

S

Q

Q

L

V

I

M

A

N

H

E

L

V

I

T

D

S

L

A

T

T

Q

E

A

L

R

D

D

D

T

P

R

D

T

I

C

G

L

A

L

I

A

T

S

G

T

S

G

A

K

K

S

A

F

F

S

A

A
|
A

G

G

A
|
A

D

D

L
x
I

A
x
K

W

E

M
|
M

R

A

R

D

M

L

-

T

-

F

A

A

D

D

A

A

S

F

R
x
T

E

A

D

D

N

F

L
x
F

R

A

D

T

A

W

R

G

K

K

L

L

A

A

L

-

M

-

E

-

T

-

L

-

N

-

S

A

F

V

P

R

T

T

P

P

T

T

L

I

A

A

K

A

V

V

Q

A

G

G

A
x
Y

V

A

M

L

G

G

G
|
G

G

G

V

C

G
x
E

L

L

V

A

S

M

C

M

C

C

D

D

I

V

V

L

V

I

A

A

S

A

D

D

A

T

A

A

F

K

F

F

A

G

L

Q

S
x
P

E
|
E

V

I

K

K

L
|
L

G

G

L
x
V

A

L

P
|
P

A
x
G

-

M

A

G

I

G

S

S

P

Q

Y

R

V

L

I

T

A

R

K

A

M

I

G

G

V

K

S

A

Q

K

A

A

R

M

R

D

Y

L

F

I

V

L

S

T

A

G

E

R

R

T

F

M

P

D

A

A

R

E

A

A

A

E

A

R

M

S

G

G

L

L

V

V

H

S

E

R

V

V

A

V

P

P

P

A

D

D

E

D

L

L

-

L

-

T

D

E

A

A

R

R

-

A

T

T

A

A

Q

T

L

T

I

I

D

S

T

Q

L

M

L

S

A

A

N

S

G

-

P

-

Q

-

A

A

M

A

R

R

A

M

A

A

K

K

Q

E

L

A

V

V

Q

N

V

R

A

A

N

F

P

E

L

S

Q

S

V

L

T

S

P

E

E

G

L

L

S
x
L

E

-

Y

Y

T

E

A

R

G

R

V

L

I

F

A

H

D

S

L

A

R
x
F

A

A

S

T

A

E

E

D

G

Q

R

S

E

E

G

G

L

M

R

A

A

A

F

F

L

I

D

E

K

K

D

R

A

A

P

P

A

Q

W

F

T

T

active site: A65 (= A65), M70 (= M70), T80 (≠ R78), F84 (≠ L82), G108 (= G113), E111 (≠ G116), P130 (≠ S135), E131 (= E136), V136 (≠ L141), P138 (= P143), G139 (≠ A144), L224 (≠ S228), F234 (≠ R239)
binding coenzyme a: L25 (≠ H25), A63 (= A63), I67 (≠ L67), K68 (≠ A68), Y104 (≠ A109), P130 (≠ S135), E131 (= E136), L134 (= L139)

Q4WF54 Mevalonyl-coenzyme A hydratase sidH; Siderophore biosynthesis protein H; EC 4.2.1.- from Aspergillus fumigatus (strain ATCC MYA-4609 / CBS 101355 / FGSC A1100 / Af293) (Neosartorya fumigata) (see paper)
31% identity, 96% coverage: 1:259/269 of query aligns to 1:265/270 of Q4WF54

query
sites
Q4WF54

M

M

S

S

S

T

A

E

A

A

H

H

L

P

D

T

I

V

-

Q

-

G

-

C

-

L

-

V

-

S

-

F

-

P

T

T

P

P

R

H

G

-

L

I

A

L

T

L

I

L

T

T

L

L

N

N

R

R

P

P

E

E

I

K

H

R

N

N

A

C

F

I

D

S

D

L

Q

A

L

T

I

S

A

A

H

E

L

I

I

Q

D

R

L

L

L

W

T

T

Q

W

A

F

R

D

D

T

D

Q

T

P

R

A

T

L

C

Y

L

V

L

A

L

I

A

T

S

G

T

T

G

G

K

E

S

S

F

F

S

C

A

A

G

G

A

A

D

D

L

L

A

-

W

-

M

-

R

-

M

-

A

-

D

-

A

-

S

-

R

K

E

E

D

W

N

N

L

D

R

L

D

N

A

A

R

R

K

G

L

I

A

T

L

N

L

E

M

M

E

T

T

A

-

P

-

G

L

L

N

A

S

G

F

L

P

P

-

R

-

G

-

S

T

K

P

P

T

I

L

I

A

A

K

A

V

V

Q

N

G

G

A

Y

V

C

M

L

G

G

V

F

G

E

L

M

V

V

S

A

C

N

C

C

D

D

I

I

V

V

A

A

S

S

D

E

A

N

A

A

F

T

F

F

A

G

L

L

S

P

E

E

V

V

K

Q

L

R

G

G

L

I

A

A

P

A

A

V

A

A

I

G

S

S

-

L

P

P

Y

R

V

L

I

V

A

R

K

V

M

L

G

G

V

K

S

Q

Q

R

A

A

R

A

R

E

Y

I

F

A

V

L

S

S

A

G

E

L

R

S

F

F

P

S

A

A

A

S

R

Q

A

L

A

E

A

R

M

W

G

G

L

L

V

V

H

N

E

R

V

V

A

V

P

E

P

H

D

D

E

Q

L

L

D

L

A

A

R

T

T

A

A

V

Q

E

L

I

I

A

D

T

T

A

L

I

L

S

A

R

N

N

G

S

P

P

Q

D

A

S

M

V

R

R

A

V

A

T

K

M

Q

E

L

G

V

L

Q

H

V

Y

A

G

N

W

P

E

L

M

Q

A

V

S

T

V

P

E

E

E

L

A

S

S

E

S

-

A

Y

L

T

V

A

D

G

Q

V

W

I

Y

A

A

D

K

L

L

R

M

A

A

S

G

A

E

E

N

G

F

R

H

E

E

G

G

L

V

R

R

A

A

F

F

L

V

D

E

K

K

D

R

A

K

P

P

A

Q

W

W

Sites not aligning to the query:

268:270 PTS1-type peroxisomal targeting signal

4elwA Structure of e. Coli. 1,4-dihydroxy-2- naphthoyl coenzyme a synthases (menb) in complex with nitrate (see paper)
28% identity, 93% coverage: 13:261/269 of query aligns to 30:262/267 of 4elwA

query
sites
4elwA

G

G

L

I

A

A

T

K

I

I

T

T

L

I

N

N

R

R

P

P

E

Q

I

V

H

R

N

N

A

A

F

F

D

R

D

P

Q

L

L

T

I

V

A

K

H

E

L

M

I

I

D

Q

L

A

L

L

T

A

Q

D

A

A

R

R

D

Y

D

D

T

D

R

N

T

I

C

G

L

V

L

I

L

L

A

T

S

G

T

A

G

G

-

D

K

K

S

A

F

F

S

C

A

S

G

G

A
x
G

D

D

L

-

A

-

W

-

M

-

R

-

M

-

A

-

D

-

A

-

S

Q

R

K

E

H

D

L

N

N

L

V

R
x
L

D

D

A

F

R

Q

K

R

L

-

A

-

L

-

M

-

E

-

T

Q

L

I

N

R

S

T

F

C

P

P

T

K

P

P

T

V

L

V

A

A

K

M

V

V

Q

A

G

G

A

Y

V

S

M

I

G
|
G

G

G

V

H

G
x
V

L

L

V

H

S

M

C

M

C

C

D

D

I

L

V

T

V

I

A

A

S

A

D

D

A

N

A

A

F

I

F

F

A

G

L

Q

S
x
T

E
x
G

V

P

K

K

L

V

G

G

L
x
S

A
x
F

P
x
D

A
x
G

A

G

I

W

S

G

P

A

Y

S

V

Y

I

M

A

A

K

R

M

I

-

V

G

G

V

Q

S

K

Q

K

A

A

R

R

R

E

Y

I

F
x
W

V

F

S

L

A

C

E

R

R

Q

F

Y

P

D

A

A

A

K

R

Q

A

A

A

L

A

D

M

M

G

G

L

L

V

V

H

N

E

T

V

V

A

V

P

P

P

L

D

A

E

D

L

L

D

E

A

K

R

E

T

T

A

V

Q

R

L

W

I

C

D

R

T

E

L

M

L

L

A

Q

N

N

G

S

P

P

Q

M

A

A

M

L

R

R

A

C

A

L

K

K

Q

A

L

A

V

L

Q

N

V

A

A

D

N

C

P

D

L

G

Q

Q

V

A

T

G

P

-

E

-

L

L

S

Q

E

E

Y

L

T
x
A

A

G

G

N

V

A

I

T

A

M

D

L

L

F

R
x
Y

A

M

S

T

A

E

E

E

G

G

R

Q

E

E

G

G

L

R

R

N

A

A

F

F

L

N

D

Q

K

K

D

R

A

Q

P

P

A

D

W

F

T

S

R

K

active site: G83 (≠ A65), L91 (≠ R83), G115 (= G113), V118 (≠ G116), G138 (≠ E136), S143 (≠ L141), D145 (≠ P143), G146 (≠ A144), A232 (≠ T231), Y240 (≠ R239)
binding nitrate ion: G114 (= G112), T137 (≠ S135), G138 (≠ E136), F144 (≠ A142), W166 (≠ F163)

Query Sequence

>HSERO_RS15435 FitnessBrowser__HerbieS:HSERO_RS15435
MSSAAHLDITPRGLATITLNRPEIHNAFDDQLIAHLIDLLTQARDDTRTCLLLLASTGKS
FSAGADLAWMRRMADASREDNLRDARKLALLMETLNSFPTPTLAKVQGAVMGGGVGLVSC
CDIVVASDAAFFALSEVKLGLAPAAISPYVIAKMGVSQARRYFVSAERFPAARAAAMGLV
HEVAPPDELDARTAQLIDTLLANGPQAMRAAKQLVQVANPLQVTPELSEYTAGVIADLRA
SAEGREGLRAFLDKDAPAWTRQQPTSGAA

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