SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Dsui_2913 FitnessBrowser__PS:Dsui_2913 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)

Q7CQ56 1,4-dihydroxy-2-naphthoyl-CoA synthase; DHNA-CoA synthase; EC 4.1.3.36 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
72% identity, 95% coverage: 14:276/276 of query aligns to 22:285/285 of Q7CQ56

query
sites
Q7CQ56

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QTG 154:156 (= QTG 145:147) binding hydrogencarbonate

3t88A Crystal structure of escherichia coli menb in complex with substrate analogue, osb-ncoa (see paper)
70% identity, 95% coverage: 14:276/276 of query aligns to 18:281/281 of 3t88A

query
sites
3t88A

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active site: G82 (= G77), R87 (= R82), Y93 (= Y88), H101 (= H96), L105 (= L100), G129 (= G124), V132 (= V127), G152 (= G147), S157 (= S152), D159 (= D154), G160 (≠ A155), A246 (= A241), Y254 (= Y249)
binding o-succinylbenzoyl-N-coenzyme A: Q39 (≠ E34), V40 (≠ R35), R41 (= R36), A43 (= A38), S80 (≠ A75), G81 (= G76), G82 (= G77), D83 (= D78), Q84 (= Q79), K85 (= K80), Y93 (= Y88), V104 (= V99), L105 (= L100), Y125 (= Y120), G129 (= G124), T151 (= T146), V155 (= V150), F158 (= F153), D159 (= D154), T250 (= T245), Y254 (= Y249), F266 (≠ W261), K269 (≠ R264)

4i42A E.Coli. 1,4-dihydroxy-2-naphthoyl coenzyme a synthase (ecmenb) in complex with 1-hydroxy-2-naphthoyl-coa (see paper)
70% identity, 95% coverage: 14:276/276 of query aligns to 22:285/285 of 4i42A

query
sites
4i42A

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active site: G86 (= G77), R91 (= R82), Y97 (= Y88), H105 (= H96), L109 (= L100), G133 (= G124), V136 (= V127), G156 (= G147), S161 (= S152), D163 (= D154), G164 (≠ A155), A250 (= A241), Y258 (= Y249)
binding 1-hydroxy-2-naphthoyl-CoA: V44 (≠ R35), R45 (= R36), S84 (≠ A75), G85 (= G76), G86 (= G77), D87 (= D78), Q88 (= Q79), K89 (= K80), Y97 (= Y88), V108 (= V99), Y129 (= Y120), G133 (= G124), T155 (= T146), S161 (= S152), T254 (= T245), F270 (≠ W261), K273 (≠ R264)

P0ABU0 1,4-dihydroxy-2-naphthoyl-CoA synthase; DHNA-CoA synthase; EC 4.1.3.36 from Escherichia coli (strain K12) (see 4 papers)
70% identity, 95% coverage: 14:276/276 of query aligns to 22:285/285 of P0ABU0

query
sites
P0ABU0

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R45 (= R36) binding in other chain
SGGDQK 84:89 (≠ AGGDQK 75:80) binding in other chain
K89 (= K80) mutation to A: Strongly decreases affinity for substrate and DHNA-CoA synthase activity.
R91 (= R82) mutation to A: Loss of DHNA-CoA synthase activity.
Y97 (= Y88) binding in other chain; mutation to F: Loss of DHNA-CoA synthase activity.
YSIGG 129:133 (≠ YAIGG 120:124) binding in other chain
Q154 (= Q145) 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 (= QTG 145:147) binding hydrogencarbonate
T155 (= T146) binding in other chain
G156 (= G147) mutation to D: Loss of DHNA-CoA synthase activity.
S161 (= S152) binding in other chain
W184 (= W175) mutation to F: Reduces the specific DHNA-CoA synthase activity by 530-fold, whereas its affinity for hydrogencarbonate is reduced by 20-fold.
Y258 (= Y249) binding substrate
R267 (= R258) mutation to A: Strongly decreases affinity for substrate and DHNA-CoA synthase activity.
F270 (≠ W261) mutation to A: Strongly decreases affinity for substrate and DHNA-CoA synthase activity.
K273 (≠ R264) binding substrate; mutation to A: Impairs protein folding.

3h02A 2.15 angstrom resolution crystal structure of naphthoate synthase from salmonella typhimurium.
68% identity, 95% coverage: 14:276/276 of query aligns to 18:266/266 of 3h02A

query
sites
3h02A

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D

-

G

-

Y

-

H

-

D

-

E

-

S

-

G

-

T

-

P

-

H
|
H

L

L

N

N

V

V

L
|
L

D

D

L

F

Q

Q

M

R

Q

Q

I

I

R

R

R

T

L

C

P

P

K

K

P

P

V

V

A

A

M

M

V

V

A

A

G

G

Y

Y

A

S

I

I

G
|
G

G

G

H

H

V
|
V

L

L

H

H

L

M

V

M

C

C

D

D

L

L

S

T

I

I

A

A

E

E

N

N

A

A

R

I

F

F

G

G

Q
|
Q

T

T

G
|
G

P

P

R

K

V

V

G

G

S
|
S

F

F

D
|
D

A
x
G

G

G

L

W

G

G

A

A

G

S

L

Y

M

M

A

A

R

R

T

I

I

V

G

G

M

Q

K

K

R

K

A

A

K

R

E

E

I

I

W
|
W

F

F

L

L

C

C

R

R

Q

Q

Y

Y

D

D

A

A

V

Q

Q

Q

A

A

L

L

D

D

W

M

G

G

L

L

V

V

N

N

T

T

V

V

P

P

V

L

E

A

K

D

L

L

E

E

E

K

E

E

T

T

V

V

A

R

W

W

C

C

Q

R

E

E

M

M

L

L

R

Q

L

N

S

S

P

P

M

M

A

A

L

L

R

R

M

C

L

L

K

K

A

A

G

A

F

L

N

N

A

A

D

D

T

C

D

D

G

G

L

Q

A

A

G

G

I

L

Q

Q

E

E

L

L

A
|
A

G

G

N

N

A

A

T

T

G

M

L

L

F

F

Y
|
Y

M

M

T

T

E

E

G

G

Q

Q

E

E

G

G

R

R

D

N

A

A

W

F

L

N

E

Q

R

K

R

R

P

Q

P

P

D

D

F

F

G

S

K

K

Y

F

R

K

K

R

R

N

P

P

active site: G82 (= G77), H86 (= H96), L90 (= L100), G114 (= G124), V117 (= V127), G137 (= G147), S142 (= S152), D144 (= D154), G145 (≠ A155), A231 (= A241), Y239 (= Y249)
binding bicarbonate ion: G113 (= G123), Q135 (= Q145), G137 (= G147), W165 (= W175)

Q5HH38 1,4-dihydroxy-2-naphthoyl-CoA synthase; DHNA-CoA synthase; EC 4.1.3.36 from Staphylococcus aureus (strain COL) (see paper)
63% identity, 97% coverage: 8:276/276 of query aligns to 6:273/273 of Q5HH38

query
sites
Q5HH38

W

W

V

E

A

T

Q

L

A

R

D

E

Y

Y

S

D

D

E

I

I

R

K

Y

Y

E

E

T

F

C

Y

D

E

G

G

I

I

A

A

K

K

I

V

T

T

I

I

N

N

R

R

P

P

E

E

R

V

R
|
R

N

N

A

A

F

F

R

T

P

P

E

K

T

T

V

V

M

A

Q

E

L

M

I

I

D

D

A

A

F

F

H

S

L

R

A

A

H

R

R

D

D

D

N

Q

A

N

V

V

G

S

A

V

I

I

I

V

L

L

T

T

G

G

E

E

G

G

P

D

D

L

A

A

F

F

C

C

A
x
S

G
|
G

D
|
D

Q
|
Q

K

K

V

K

R

R

G

G

D

H

D

-

G

G

Y

Y

H

V

D

G

E

E

S

D

G

Q

T

I

P

P

H

R

L

L

N

N

V

V

L

L

D

D

L

L

Q

Q

M

R

Q

L

I

I

R

R

R

I

L

I

P

P

K

K

P

P

V

V

V

I

A

A

M

M

V

V

A

K

G

G

Y

Y

A

A

I

V

G

G

H

N

V

V

L

L

H

N

L

V

V

V

C

C

D

D

L

L

S

T

I

I

A

A

E

D

N

N

A

A

R

I

F

F

G

G

Q

Q

T

T

G

G

P

P

R

K

V

V

G

G

S
|
S

F

F

D

D

A

A

G

G

L

Y

G

G

A

S

G

G

L

Y

M

L

A

A

R

R

T

I

I

V

G

G

M

H

K

K

R

K

A

A

K

R

E

E

I

I

W

W

F

Y

L

L

C

C

R

R

Q

Q

Y

Y

D

N

A

A

V

Q

Q

E

A

A

L

L

D

D

W

M

G

G

L

L

V

V

N

N

T

T

V

V

P

P

V

L

E

E

K

K

L

V

E

E

E

D

E

E

T

T

V

V

A

Q

W

W

C

C

Q

K

E

E

M

I

L

M

R

K

L

H

S

S

P

P

M

T

A

A

L

L

R

R

M

F

L

L

K

K

A

A

G

A

F

M

N

N

A

A

D

D

T

T

D

D

G

G

L

L

A

A

G

G

I

L

Q

Q

E

Q

L

M

A

A

G

G

N

D

A

A

T

T

G

L

L

L

F

Y

Y

Y

M

T

T

T

E

D

E

E

G

A

Q

K

E

E

G

G

R

R

D

D

A

A

W

F

L

K

E

E

R

K

R

R

P

D

P

P

D

D

F

F

G

D

K

Q

Y

F

R

P

K

K

R

F

P

P

R34 (= R36) binding in other chain
SGGDQ 73:77 (≠ AGGDQ 75:79) binding in other chain
S149 (= S152) binding in other chain

4i52A Scmenb im complex with 1-hydroxy-2-naphthoyl-coa (see paper)
63% identity, 97% coverage: 6:272/276 of query aligns to 1:271/275 of 4i52A

query
sites
4i52A

L

M

P

D

W

W

V

H

A

I

Q

A

A

K

D

H

Y

Y

S

D

D

D

I

I

R

L

Y

Y

E

Y

T

K

C

A

D

G

G

G

I

I

A

A

K

K

I

I

T

V

I

I

N

N

R

R

P

P

E
x
H

R
x
K

R
|
R

N

N

A
|
A

F

F

R

R

P

P

E

Q

T

T

V

V

M

F

Q

E

L

L

I

Y

D

D

A

A

F

F

H

C

L

N

A

A

H

R

R

E

D

D

N

N

A

R

V

I

G

G

A

V

I

V

I

L

L

L

T

T

G

G

E

A

G

G

P

P

D

H

-

S

-

D

-

G

-

K

-

Y

A

A

F

F

C

C

A
x
S

G
|
G

D
|
D

Q
|
Q

K

S

V

V

R
|
R

G

G

D

E

D

-

G

G

Y
|
Y

H

I

D

D

E

D

S

Q

G

G

T

T

P

P

H
x
R

L
|
L

N

N

V
|
V

L
|
L

D

D

L

L

Q

Q

M

R

Q

L

I

I

R

R

R

S

L

M

P

P

K

K

P

V

V

V

V

I

A

A

M

L

V

V

A

A

G

G

Y
|
Y

A

A

I
|
I

G

G

G
|
G

G

G

H

H

V
|
V

L

L

H

H

L

L

V

V

C

C

D

D

L

L

S

T

I

I

A

A

E

D

N

N

A

A

R

I

F

F

G

G

Q

Q

T
|
T

G
|
G

P

P

R

K

V
|
V

G

G

S
|
S

F
|
F

D
|
D

A
x
G

G

G

L

F

G

G

A

S

G

S

L

Y

M

L

A

A

R

R

T

I

I

V

G

G

M

Q

K

K

R

K

A

A

K

R

E

E

I

I

W

W

F

Y

L

L

C

C

R

R

Q

Q

Y

Y

D

S

A

A

V

Q

Q

E

A

A

L

E

D

R

W

M

G

G

L

M

V

V

N

N

T

T

V

V

P

P

V

V

E

D

K

R

L

L

E

E

T

G

V

I

A

Q

W

W

C

A

Q

K

E

E

M

I

L

L

R

S

L

K

S

S

P

P

M

L

A

A

L

I

R

R

M

C

L

L

K

K

A

A

G

A

F

F

N

N

A

A

D

D

T

C

D

D

G

G

L

Q

A

A

G

G

I

L

Q

Q

E

E

L

L

A
|
A

G

G

N

N

A

A

T

T

G

L

L

L

F

Y

Y
|
Y

M

M

T

T

E

E

G

G

Q

S

E

E

G

G

R

K

D

Q

A

A

W

F

L

L

E

E

R

K

R

R

P

P

D

D

F

F

G

S

K

Q

Y

Y

active site: G77 (= G77), R82 (= R82), Y87 (= Y88), R95 (≠ H96), L99 (= L100), G123 (= G124), V126 (= V127), G146 (= G147), S151 (= S152), D153 (= D154), G154 (≠ A155), A240 (= A241), Y248 (= Y249)
binding 1-hydroxy-2-naphthoyl-CoA: H29 (≠ E34), K30 (≠ R35), R31 (= R36), A33 (= A38), S75 (≠ A75), G76 (= G76), G77 (= G77), D78 (= D78), Q79 (= Q79), L96 (= L97), V98 (= V99), Y119 (= Y120), I121 (= I122), G123 (= G124), T145 (= T146), V149 (= V150), S151 (= S152), F152 (= F153)

4i4zA Synechocystis sp. Pcc 6803 1,4-dihydroxy-2-naphthoyl-coenzyme a synthase (menb) in complex with salicylyl-coa (see paper)
63% identity, 97% coverage: 6:272/276 of query aligns to 1:271/275 of 4i4zA

query
sites
4i4zA

L

M

P

D

W

W

V

H

A

I

Q

A

A

K

D

H

Y

Y

S

D

D

D

I

I

R

L

Y

Y

E

Y

T

K

C

A

D

G

G

G

I

I

A

A

K

K

I

I

T

V

I

I

N

N

R

R

P

P

E
x
H

R
x
K

R
|
R

N

N

A

A

F

F

R

R

P

P

E

Q

T

T

V

V

M

F

Q

E

L

L

I

Y

D

D

A

A

F

F

H

C

L

N

A

A

H

R

R

E

D

D

N

N

A

R

V

I

G

G

A

V

I

V

I

L

L

L

T

T

G

G

E

A

G

G

P

P

D

H

-

S

-

D

-

G

-

K

-

Y

A

A

F

F

C

C

A
x
S

G
|
G

D
|
D

Q
|
Q

K

S

V

V

R
|
R

G

G

D

E

D

-

G

G

Y
|
Y

H

I

D

D

E

D

S

Q

G

G

T

T

P

P

H
x
R

L

L

N

N

V
|
V

L
|
L

D

D

L

L

Q

Q

M

R

Q

L

I

I

R

R

R

S

L

M

P

P

K

K

P

V

V

V

V

I

A

A

M

L

V

V

A

A

G

G

Y

Y

A

A

I

I

G
|
G

G

G

H

H

V
|
V

L

L

H

H

L

L

V

V

C

C

D

D

L

L

S

T

I

I

A

A

E

D

N

N

A

A

R

I

F

F

G

G

Q
|
Q

T
|
T

G
|
G

P

P

R

K

V
|
V

G

G

S
|
S

F

F

D
|
D

A
x
G

G

G

L

F

G

G

A

S

G

S

L

Y

M

L

A

A

R

R

T

I

I

V

G

G

M

Q

K

K

R

K

A

A

K

R

E

E

I

I

W
|
W

F

Y

L

L

C

C

R

R

Q

Q

Y

Y

D

S

A

A

V

Q

Q

E

A

A

L

E

D

R

W

M

G

G

L

M

V

V

N

N

T

T

V

V

P

P

V

V

E

D

K

R

L

L

E

E

T

G

V

I

A

Q

W

W

C

A

Q

K

E

E

M

I

L

L

R

S

L

K

S

S

P

P

M

L

A

A

L

I

R

R

M

C

L

L

K

K

A

A

G

A

F

F

N

N

A

A

D

D

T

C

D

D

G

G

L

Q

A

A

G

G

I

L

Q

Q

E

E

L

L

A
|
A

G

G

N

N

A

A

T

T

G

L

L

L

F

Y

Y
|
Y

M

M

T

T

E

E

G

G

Q

S

E

E

G

G

R

K

D

Q

A

A

W
x
F

L

L

E

E

R
x
K

R

R

P

P

D

D

F

F

G

S

K

Q

Y

Y

active site: G77 (= G77), R82 (= R82), Y87 (= Y88), R95 (≠ H96), L99 (= L100), G123 (= G124), V126 (= V127), G146 (= G147), S151 (= S152), D153 (= D154), G154 (≠ A155), A240 (= A241), Y248 (= Y249)
binding Salicylyl CoA: H29 (≠ E34), K30 (≠ R35), R31 (= R36), S75 (≠ A75), G76 (= G76), G77 (= G77), D78 (= D78), Q79 (= Q79), Y87 (= Y88), V98 (= V99), G123 (= G124), T145 (= T146), V149 (= V150), S151 (= S152), F260 (≠ W261), K263 (≠ R264)
binding bicarbonate ion: G122 (= G123), Q144 (= Q145), T145 (= T146), G146 (= G147), W174 (= W175)

4elxA Structure of apo e.Coli. 1,4-dihydroxy-2- naphthoyl coa synthases with cl (see paper)
67% identity, 95% coverage: 14:276/276 of query aligns to 19:268/268 of 4elxA

query
sites
4elxA

Y

F

S

E

D

D

I

I

R

R

Y

Y

E

E

-

K

T

S

C

T

D

D

G

G

I

I

A

A

K

K

I

I

T

T

I

I

N

N

R

R

P

P

E

Q

R

V

R

R

N

N

A

A

F

F

R

R

P

P

E

L

T

T

V

V

M

K

Q

E

L

M

I

I

D

Q

A

A

F

L

H

A

L

D

A

A

H

R

R

Y

D

D

N

D

A

N

V

I

G

G

A

V

I

I

L

L

T

T

G

G

E

A

G

G

P

D

D

K

A

A

F

F

C

C

A

S

G

G

G
|
G

D

D

Q

Q

K

K

V

-

R

-

G

-

D

-

G

-

Y

-

H

-

D

-

E

-

S

-

G

-

T

-

P

H

H
|
H

L

L

N

N

V

V

L
|
L

D

D

L

F

Q

Q

M

R

Q

Q

I

I

R

R

R

T

L

C

P

P

K

K

P

P

V

V

A

A

M

M

V

V

A

A

G

G

Y

Y

A

S

I

I

G
|
G

G

G

H

H

V
|
V

L

L

H

H

L

M

V

M

C

C

D

D

L

L

S

T

I

I

A

A

E

D

N

N

A

A

R

I

F

F

G

G

Q

Q

T

T

G
|
G

P

P

R

K

V

V

G

G

S
|
S

F

F

D
|
D

A
x
G

G

G

L

W

G

G

A

A

G

S

L

Y

M

M

A

A

R

R

T

I

I

V

G

G

M

Q

K

K

R

K

A

A

K

R

E

E

I

I

W
|
W

F

F

L

L

C

C

R

R

Q

Q

Y

Y

D

D

A

A

V

K

Q

Q

A

A

L

L

D

D

W

M

G

G

L

L

V

V

N

N

T

T

V

V

P

P

V

L

E

A

K

D

L

L

E

E

E

K

E

E

T

T

V

V

A

R

W

W

C

C

Q

R

E

E

M

M

L

L

R

Q

L

N

S

S

P

P

M

M

A

A

L

L

R

R

M

C

L

L

K

K

A

A

G

A

F

L

N

N

A

A

D

D

T

C

D

D

G

G

L

Q

A

A

G

G

I

L

Q

Q

E

E

L

L

A
|
A

G

G

N

N

A

A

T

T

G

M

L

L

F

F

Y
|
Y

M

M

T

T

E

E

G

G

Q

Q

E

E

G

G

R

R

D

N

A

A

W

F

L

N

E

Q

R

K

R

R

P

Q

P

P

D

D

F

F

G

S

K

K

Y

F

R

K

K

R

R

N

P

P

active site: G83 (= G77), H88 (= H96), L92 (= L100), G116 (= G124), V119 (= V127), G139 (= G147), S144 (= S152), D146 (= D154), G147 (≠ A155), A233 (= A241), Y241 (= Y249)
binding chloride ion: G115 (= G123), G139 (= G147), W167 (= W175)

4elwA Structure of e. Coli. 1,4-dihydroxy-2- naphthoyl coenzyme a synthases (menb) in complex with nitrate (see paper)
67% identity, 95% coverage: 14:276/276 of query aligns to 19:267/267 of 4elwA

query
sites
4elwA

Y

F

S

E

D

D

I

I

R

R

Y

Y

E

E

-

K

T

S

C

T

D

D

G

G

I

I

A

A

K

K

I

I

T

T

I

I

N

N

R

R

P

P

E

Q

R

V

R

R

N

N

A

A

F

F

R

R

P

P

E

L

T

T

V

V

M

K

Q

E

L

M

I

I

D

Q

A

A

F

L

H

A

L

D

A

A

H

R

R

Y

D

D

N

D

A

N

V

I

G

G

A

V

I

I

L

L

T

T

G

G

E

A

G

G

P

D

D

K

A

A

F

F

C

C

A

S

G

G

G
|
G

D

D

Q

Q

K

K

V

-

R

-

G

-

D

-

G

-

Y

-

H

-

D

-

E

-

S

-

G

-

T

-

P

-

H

H

L

L

N

N

V

V

L
|
L

D

D

L

F

Q

Q

M

R

Q

Q

I

I

R

R

R

T

L

C

P

P

K

K

P

P

V

V

A

A

M

M

V

V

A

A

G

G

Y

Y

A

S

I

I

G
|
G

G

G

H

H

V
|
V

L

L

H

H

L

M

V

M

C

C

D

D

L

L

S

T

I

I

A

A

E

D

N

N

A

A

R

I

F

F

G

G

Q

Q

T
|
T

G
|
G

P

P

R

K

V

V

G

G

S
|
S

F
|
F

D
|
D

A
x
G

G

G

L

W

G

G

A

A

G

S

L

Y

M

M

A

A

R

R

T

I

I

V

G

G

M

Q

K

K

R

K

A

A

K

R

E

E

I

I

W
|
W

F

F

L

L

C

C

R

R

Q

Q

Y

Y

D

D

A

A

V

K

Q

Q

A

A

L

L

D

D

W

M

G

G

L

L

V

V

N

N

T

T

V

V

P

P

V

L

E

A

K

D

L

L

E

E

E

K

E

E

T

T

V

V

A

R

W

W

C

C

Q

R

E

E

M

M

L

L

R

Q

L

N

S

S

P

P

M

M

A

A

L

L

R

R

M

C

L

L

K

K

A

A

G

A

F

L

N

N

A

A

D

D

T

C

D

D

G

G

L

Q

A

A

G

G

I

L

Q

Q

E

E

L

L

A
|
A

G

G

N

N

A

A

T

T

G

M

L

L

F

F

Y
|
Y

M

M

T

T

E

E

G

G

Q

Q

E

E

G

G

R

R

D

N

A

A

W

F

L

N

E

Q

R

K

R

R

P

Q

P

P

D

D

F

F

G

S

K

K

Y

F

R

K

K

R

R

N

P

P

active site: G83 (= G77), L91 (= L100), G115 (= G124), V118 (= V127), G138 (= G147), S143 (= S152), D145 (= D154), G146 (≠ A155), A232 (= A241), Y240 (= Y249)
binding nitrate ion: G114 (= G123), T137 (= T146), G138 (= G147), F144 (= F153), W166 (= W175)

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)
63% identity, 96% coverage: 13:276/276 of query aligns to 73:337/337 of Q8GYN9

query
sites
Q8GYN9

D

E

Y

F

S

V

D

D

I

I

R

I

Y

Y

E

E

T

K

C

A

-

L

-

D

D

E

G

G

I

I

A

A

K

K

I

I

T

T

I

I

N

N

R

R

P

P

E

E

R

R

N

N

A

A

F

F

R

R

P

P

E

Q

T

T

V

V

M

K

Q

E

L

L

I

M

D

R

A

A

F

F

H

N

L

D

A

A

H

R

R

D

D

D

N

S

A

S

V

V

G

G

A

V

I

I

L

L

T

T

G

G

E

K

G

G

P

T

D

K

A

A

F

F

C

C

A

S

G

G

D

D

Q

Q

K

A

V

L

R

R

G

T

D

Q

D

D

G

G

G

-

Y

Y

H

A

D

D

E

P

S

N

G

D

T

V

P

G

H

R

L

L

N

N

V

V

L

L

D

D

L

L

Q

Q

M

V

Q

Q

I

I

R

R

L

L

P

P

K

K

P

P

V

V

V

I

A

A

M

M

V

V

A

A

G

G

Y

Y

A

A

I

V

G

G

H

H

V

I

L

L

H

H

L

M

V

V

C

C

D

D

L

L

S

T

I

I

A

A

E

D

N

N

A

A

R

I

F

F

G

G

Q

Q

T

T

G

G

P

P

R

K

V

V

G

G

S

S

F

F

D

D

A

A

G

G

L

Y

G

G

A

S

G

S

L

I

M

M

A

S

R

R

T

L

I

V

G

G

M

P

K

K

R

K

A

A

K

R

E

E

I

M

W

W

F

F

L

M

C

T

R

R

Q

F

Y

Y

D

T

A

A

V

S

Q

E

A

A

L

E

D

K

W

M

G

G

L

L

V

I

N

N

T

T

V

V

P

P

V

L

E

E

K

D

L

L

E

E

E

K

E

E

T

T

V

V

A

K

W

W

C

C

Q

R

E

E

M

I

L

L

R

R

L

N

S

S

P

P

M

T

A

A

L

I

R

R

M

V

L

L

K

K

A

A

G

A

F

L

N

N

A

A

D

V

T

D

D

D

G

G

L

H

A

A

G

G

I

L

Q

Q

E

G

L

L

A

G

G

G

N

D

A

A

T

T

G

L

L

L

F

F

Y

Y

M

G

T

T

E

E

G

A

Q

T

E

E

G

G

R

R

D

T

A

A

W

Y

L

M

E

H

R

R

P

P

D

D

F

F

G

S

K

K

Y

F

R

H

K

R

R

R

P

P

Sites not aligning to the query:

20 H→V: Loss of peroxisomal targeting.

2uzfA Crystal structure of staphylococcus aureus 1,4-dihydroxy-2-naphthoyl coa synthase (menb) in complex with acetoacetyl coa (see paper)
61% identity, 97% coverage: 8:276/276 of query aligns to 1:260/260 of 2uzfA

query
sites
2uzfA

W

W

V

E

A

T

Q

L

A

R

D

E

Y

Y

S

D

D

E

I

I

R

K

Y

Y

E

E

T

F

C

Y

D

E

G

G

I

I

A

A

K

K

I

V

T

T

I

I

N

N

R

R

P

P

E

E

R
x
V

R
|
R

N

N

A

A

F

F

R

T

P

P

E

K

T

T

V

V

M

A

Q

E

L

M

I

I

D

D

A

A

F

F

H

S

L

R

A

A

H

R

R

D

D

D

N

Q

A

N

V

V

G

S

A

V

I

I

I

V

L

L

T

T

G

G

E

E

G

G

P

D

D

L

A

A

F

F

C

C

A
x
S

G
|
G

D
|
D

Q

Q

K

K

V

-

R

-

G

-

D

-

G

-

Y

-

H

-

D

G

E

E

S

D

G

Q

T

I

P

P

H
x
R

L

L

N

N

V

V

L
|
L

D

D

L

L

Q

Q

M

R

Q

L

I

I

R

R

R

I

L

I

P

P

K

K

P

P

V

V

V

I

A

A

M

M

V

V

A

K

G

G

Y
|
Y

A

A

I

V

G

G

G
|
G

G

G

H

N

V
|
V

L

L

H

N

L

V

V

V

C

C

D

D

L

L

S

T

I

I

A

A

E

D

N

N

A

A

R

I

F

F

G

G

Q

Q

T
|
T

G
|
G

P

P

R

K

V

V

G

G

S
|
S

F

F

D
|
D

A
|
A

G

G

L

Y

G

G

A

S

G

G

L

Y

M

L

A

A

R

R

T

I

I

V

G

G

M

H

K

K

R

K

A

A

K

R

E

E

I

I

W

W

F

Y

L

L

C

C

R

R

Q

Q

Y

Y

D

N

A

A

V

Q

Q

E

A

A

L

L

D

D

W

M

G

G

L

L

V

V

N

N

T

T

V

V

P

P

V

L

E

E

K

K

L

V

E

E

E

D

E

E

T

T

V

V

A

Q

W

W

C

C

Q

K

E

E

M

I

L

M

R

K

L

H

S

S

P

P

M

T

A

A

L

L

R

R

M

F

L

L

K

K

A

A

G

A

F

M

N

N

A

A

D

D

T

T

D

D

G

G

L

L

A

A

G

G

I

L

Q

Q

E

Q

L

M

A
|
A

G

G

N

D

A

A

T

T

G

L

L

L

F

Y

Y
|
Y

M

T

T

T

E

D

E

E

G

A

Q

K

E

E

G

G

R

R

D

D

A

A

W

F

L

K

E

E

R

K

R

R

P

D

P

P

D

D

F

F

G

D

K

Q

Y

F

R

P

K

K

R

F

P

P

active site: G70 (= G77), R80 (≠ H96), L84 (= L100), G108 (= G124), V111 (= V127), T130 (= T146), G131 (= G147), S136 (= S152), D138 (= D154), A139 (= A155), A225 (= A241), Y233 (= Y249)
binding acetoacetyl-coenzyme a: V28 (≠ R35), R29 (= R36), S68 (≠ A75), G69 (= G76), G70 (= G77), D71 (= D78), Y104 (= Y120), G108 (= G124)

4emlA Synechocystis sp. Pcc 6803 1,4-dihydroxy-2-naphthoyl-coenzyme a synthase (menb) in complex with bicarbonate (see paper)
60% identity, 97% coverage: 6:272/276 of query aligns to 1:257/261 of 4emlA

query
sites
4emlA

L

M

P

D

W

W

V

H

A

I

Q

A

A

K

D

H

Y

Y

S

D

D

D

I

I

R

L

Y

Y

E

Y

T

K

C

A

D

G

G

G

I

I

A

A

K

K

I

I

T

V

I

I

N

N

R

R

P

P

E

H

R

K

R

R

N

N

A

A

F

F

R

R

P

P

E

Q

T

T

V

V

M

F

Q

E

L

L

I

Y

D

D

A

A

F

F

H

C

L

N

A

A

H

R

R

E

D

D

N

N

A

R

V

I

G

G

A

V

I

V

I

L

L

L

T

T

G

G

E

A

G

G

P

P

D

H

-

S

-

D

-

G

-

K

-

Y

A

A

F

F

C

C

A

S

G

G

G
|
G

D

D

Q

Q

K

S

V

-

R

-

G

-

D

-

G

-

Y

-

H

-

D

-

E

-

S

-

G

-

T

-

P

-

H
x
R

L

L

N

N

V

V

L
|
L

D

D

L

L

Q

Q

M

R

Q

L

I

I

R

R

R

S

L

M

P

P

K

K

P

V

V

V

V

I

A

A

M

L

V

V

A

A

G

G

Y

Y

A

A

I

I

G
|
G

G

G

H

H

V
|
V

L

L

H

H

L

L

V

V

C

C

D

D

L

L

S

T

I

I

A

A

E

D

N

N

A

A

R

I

F

F

G

G

Q
|
Q

T

T

G
|
G

P

P

R

K

V

V

G

G

S
|
S

F

F

D
|
D

A
x
G

G

G

L

F

G

G

A

S

G

S

L

Y

M

L

A

A

R

R

T

I

I

V

G

G

M

Q

K

K

R

K

A

A

K

R

E

E

I

I

W
|
W

F

Y

L

L

C

C

R

R

Q

Q

Y

Y

D

S

A

A

V

Q

Q

E

A

A

L

E

D

R

W

M

G

G

L

M

V

V

N

N

T

T

V

V

P

P

V

V

E
x
D

K
x
R

L

L

E
|
E

E

E

T

G

V

I

A

Q

W

W

C

A

Q

K

E

E

M

I

L

L

R

S

L

K

S

S

P

P

M

L

A

A

L

I

R

R

M

C

L

L

K

K

A

A

G

A

F

F

N

N

A

A

D

D

T

C

D

D

G

G

L

Q

A

A

G

G

I

L

Q

Q

E

E

L

L

A
|
A

G

G

N

N

A

A

T

T

G

L

L

L

F

Y

Y
|
Y

M

M

T

T

E

E

G

G

Q

S

E

E

G

G

R

K

D

Q

A

A

W

F

L

L

E

E

R

K

R

R

P

P

D

D

F

F

G

S

K

Q

Y

Y

active site: G77 (= G77), R81 (≠ H96), L85 (= L100), G109 (= G124), V112 (= V127), G132 (= G147), S137 (= S152), D139 (= D154), G140 (≠ A155), A226 (= A241), Y234 (= Y249)
binding bicarbonate ion: G108 (= G123), Q130 (= Q145), G132 (= G147), W160 (= W175)
binding chloride ion: D184 (≠ E199), R185 (≠ K200), E187 (= E202), E188 (= E203)

P9WNP5 1,4-dihydroxy-2-naphthoyl-CoA synthase; DHNA-CoA synthase; EC 4.1.3.36 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 4 papers)
46% identity, 94% coverage: 13:272/276 of query aligns to 33:310/314 of P9WNP5

query
sites
P9WNP5

D

D

Y

L

S

T

D

D

I

I

R

T

Y

Y

E

H

-

R

-

H

T

V

C

D

D

D

G

A

I

T

A

V

K

R

I

V

T

A

I

F

N

N

R

R

P

P

E

E

R

V

R
|
R

N

N

A

A

F

F

R

R

P

P

E

H

T

T

V

V

M

D

Q

E

L

L

I

Y

D

R

A

V

F

L

H

D

L

H

A

A

H

R

R

M

D

S

N

P

A

D

V

V

G

G

A

V

I

V

I

L

L

L

T

T

G

G

E

N

G

G

P

P

D

S

-

P

-
x
K

-

D

-

G

-

W

A

A

F

F

C

C

A
x
S

G
|
G

D
|
D

Q
|
Q

K

R

V

I

R

R

G

G

D

R

D

-

G

S

G

G

Y

Y

H

Q

D

Y

E

A

S

S

G

G

T

D

P

T

-

A

-

D

-

T

-

V

-

D

-

V

-

A

-

R

-

A

-

G

H
x
R

L

L

N

H

V

I

L

L

D

E

L

V

Q

Q

M

R

Q

L

I

I

R

R

R

F

L

M

P

P

K

K

P

V

V

V

V

I

A

C

M

L

V

V

A

N

G

G

Y
x
W

A
|
A

I
x
A

G
|
G

G

G

H

H

V

S

L

L

H

H

L

V

V

V

C

C

D

D

L

L

S

T

I

L

A

A

A

S

-

R

E

E

N

Y

A

A

R

R

F

F

G

K

Q

Q

T
|
T

G
x
D

P

A

R

D

V

V

G

G

S
|
S

F

F

D
|
D

A

G

G

G

L

Y

G

G

A

S

G

A

L

Y

M

L

A

A

R

R

T

Q

I

V

G

G

M

Q

K

K

R

F

A

A

K

R

E

E

I

I

W

F

F

F

L

L

C

G

R

R

Q

T

Y

Y

D

T

A

A

V

E

Q

Q

A

M

L

H

D

Q

W

M

G

G

L

A

V

V

N

N

T

A

V

V

V

A

P

E

V

H

E

A

K

E

L

L

E

E

E

T

E

V

T

G

V

L

A

Q

W

W

C

A

Q

A

E

E

M

I

L

N

R

A

L

K

S

S

P

P

M

Q

A

A

L

Q

R

R

M

M

L

L

K

K

A

F

G

A

F

F

N

N

A

L

D

L

T

D

D

D

G

G

L

L

A

V

G

G

I

Q

Q

Q

E

L

L

F

A

A

G

G

N

E

A

A

T

T

G

R

L

L

F

A

Y
|
Y

M

M

T

T

E

D

E

E

G

A

Q

V

E

E

G

G

R

R

D

D

A

A

W

F

L

L

E

Q

R

K

R

R

P

P

D

D

F

W

G

S

K

P

Y

F

R58 (= R36) binding in other chain
K95 (vs. gap) binding in other chain
SGGDQ 103:107 (≠ AGGDQ 75:79) binding in other chain
R133 (≠ H96) mutation to A: Loss of DHNA-CoA synthase activity.
WAAGG 157:161 (≠ YAIGG 120:124) binding in other chain
T184 (= T146) binding in other chain
D185 (≠ G147) mutation to E: Nearly abolishes DHNA-CoA synthase activity.; mutation D->G,N: Loss of DHNA-CoA synthase activity.
S190 (= S152) mutation to A: Reduces affinity for substrate. Nearly abolishes DHNA-CoA synthase activity.
D192 (= D154) mutation to N: Loss of DHNA-CoA synthase activity.
Y287 (= Y249) mutation to F: Loss of DHNA-CoA synthase activity.

4qijA Crystal structure of menb from mycobacteria tuberculosis in complex with 1-hna-coa (see paper)
46% identity, 94% coverage: 13:272/276 of query aligns to 20:297/301 of 4qijA

query
sites
4qijA

D

D

Y

L

S

T

D

D

I

I

R

T

Y

Y

E

H

-

R

-

H

T

V

C

D

D

D

G

A

I

T

A

V

K

R

I

V

T

A

I

F

N

N

R

R

P

P

E

E

R
x
V

R
|
R

N

N

A
|
A

F
|
F

R

R

P

P

E

H

T

T

V

V

M

D

Q

E

L

L

I

Y

D

R

A

V

F

L

H

D

L

H

A

A

H

R

R

M

D

S

N

P

A

D

V

V

G

G

A

V

I

V

I

L

L

L

T

T

G

G

E

N

G

G

P

P

D

S

-

P

-
x
K

-

D

-

G

-

W

A

A

F

F

C

C

A
x
S

G
|
G

D
|
D

Q
|
Q

K

R

V

I

R
|
R

G

G

D

R

D

-

G

S

G

G

Y
|
Y

H

Q

D

Y

E

A

S

S

G

G

T

D

P

T

-

A

-

D

-

T

-

V

-

D

-

V

-

A

-
x
R

-

A

-

G

H

R

L
|
L

N
x
H

V
x
I

L

L

D

E

L

V

Q

Q

M

R

Q

L

I

I

R

R

R

F

L

M

P

P

K

K

P

V

V

V

V

I

A

C

M

L

V

V

A

N

G

G

Y
x
W

A

A

I

A

G

G

G
|
G

G

G

H

H

V
x
S

L

L

H

H

L

V

V

V

C

C

D

D

L

L

S

T

I

L

A

A

A

S

-

R

E

E

N

Y

A

A

R

R

F

F

G

K

Q

Q

T
|
T

G
x
D

P

A

R

D

V

V

G

G

S
|
S

F

F

D
|
D

A
x
G

G

G

L

Y

G

G

A

S

G

A

L

Y

M

L

A

A

R

R

T

Q

I

V

G

G

M

Q

K

K

R

F

A

A

K

R

E

E

I

I

W

F

F

F

L

L

C

G

R

R

Q

T

Y

Y

D

T

A

A

V

E

Q

Q

A

M

L

H

D

Q

W

M

G

G

L

A

V

V

N

N

T

A

V

V

V

A

P

E

V

H

E

A

K

E

L

L

E

E

E

T

E

V

T

G

V

L

A

Q

W

W

C

A

Q

A

E

E

M

I

L

N

R

A

L

K

S

S

P

P

M

Q

A

A

L

Q

R

R

M

M

L

L

K

K

A

F

G

A

F

F

N

N

A

L

D

L

T

D

D

D

G

G

L

L

A

V

G

G

I

Q

Q

Q

E

L

L

F

A
|
A

G

G

N

E

A

A

T

T

G

R

L

L

F

A

Y
|
Y

M

M

T

T

E

D

E

E

G

A

Q

V

E

E

G

G

R

R

D

D

A

A

W
x
F

L

L

E

Q

R
x
K

R

R

P

P

D

D

F

W

G

S

K

P

Y

F

active site: G92 (= G77), R97 (= R82), Y102 (= Y88), R117 (vs. gap), H122 (≠ N98), G148 (= G124), S151 (≠ V127), D172 (≠ G147), S177 (= S152), D179 (= D154), G180 (≠ A155), A266 (= A241), Y274 (= Y249)
binding 1-hydroxy-2-naphthoyl-CoA: V44 (≠ R35), R45 (= R36), A47 (= A38), F48 (= F39), K82 (vs. gap), S90 (≠ A75), G91 (= G76), G92 (= G77), D93 (= D78), Q94 (= Q79), Y102 (= Y88), L121 (= L97), I123 (≠ V99), W144 (≠ Y120), G148 (= G124), T171 (= T146), D172 (≠ G147), S177 (= S152), F286 (≠ W261), K289 (≠ R264)

4qiiB Crystal structure of type ii menb from mycobacteria tuberculosis (see paper)
46% identity, 94% coverage: 13:272/276 of query aligns to 20:297/301 of 4qiiB

query
sites
4qiiB

D

D

Y

L

S

T

D

D

I

I

R

T

Y

Y

E

H

-

R

-

H

T

V

C

D

D

D

G

A

I

T

A

V

K

R

I

V

T

A

I

F

N

N

R

R

P

P

E

E

R
x
V

R
|
R

N

N

A
|
A

F

F

R

R

P

P

E

H

T

T

V

V

M

D

Q

E

L

L

I

Y

D

R

A

V

F

L

H

D

L

H

A

A

H

R

R

M

D

S

N

P

A

D

V

V

G

G

A

V

I

V

I

L

L

L

T

T

G

G

E

N

G

G

P

P

D

S

-

P

-
x
K

-

D

-

G

-

W

A

A

F

F

C

C

A
x
S

G

G

G
|
G

D
|
D

Q
|
Q

K

R

V

I

R
|
R

G

G

D

R

D

-

G

S

G

G

Y
|
Y

H

Q

D

Y

E

A

S

S

G

G

T

D

P

T

-

A

-

D

-

T

-

V

-

D

-

V

-

A

-
x
R

-

A

-

G

H

R

L

L

N
x
H

V

I

L

L

D

E

L

V

Q

Q

M

R

Q

L

I

I

R

R

R

F

L

M

P

P

K

K

P

V

V

V

V

I

A

C

M

L

V

V

A

N

G

G

Y
x
W

A

A

I

A

G
|
G

G

G

H

H

V
x
S

L

L

H

H

L

V

V

V

C

C

D

D

L

L

S

T

I

L

A

A

A

S

-

R

E

E

N

Y

A

A

R

R

F

F

G

K

Q

Q

T
|
T

G
x
D

P

A

R

D

V
|
V

G

G

S
|
S

F

F

D
|
D

A
x
G

G

G

L

Y

G

G

A

S

G

A

L

Y

M

L

A

A

R

R

T

Q

I

V

G

G

M

Q

K

K

R

F

A

A

K

R

E

E

I

I

W

F

F

F

L

L

C

G

R

R

Q

T

Y

Y

D

T

A

A

V

E

Q

Q

A

M

L

H

D

Q

W

M

G

G

L

A

V

V

N

N

T

A

V

V

V

A

P

E

V

H

E

A

K

E

L

L

E

E

E

T

E

V

T

G

V

L

A

Q

W

W

C

A

Q

A

E

E

M

I

L

N

R

A

L

K

S

S

P

P

M

Q

A

A

L

Q

R

R

M

M

L

L

K

K

A

F

G

A

F

F

N

N

A

L

D

L

T

D

D

D

G

G

L

L

A

V

G

G

I

Q

Q

Q

E

L

L

F

A
|
A

G

G

N

E

A

A

T

T

G

R

L

L

F

A

Y
|
Y

M

M

T

T

E

D

E

E

G

A

Q

V

E

E

G

G

R

R

D

D

A

A

W
x
F

L

L

E

Q

R
x
K

R

R

P

P

D

D

F

W

G

S

K

P

Y

F

active site: G92 (= G77), R97 (= R82), Y102 (= Y88), R117 (vs. gap), H122 (≠ N98), G148 (= G124), S151 (≠ V127), D172 (≠ G147), S177 (= S152), D179 (= D154), G180 (≠ A155), A266 (= A241), Y274 (= Y249)
binding Salicylyl CoA: V44 (≠ R35), R45 (= R36), A47 (= A38), K82 (vs. gap), S90 (≠ A75), G92 (= G77), D93 (= D78), Q94 (= Q79), Y102 (= Y88), W144 (≠ Y120), G147 (= G123), G148 (= G124), T171 (= T146), D172 (≠ G147), V175 (= V150), S177 (= S152), Y274 (= Y249), F286 (≠ W261), K289 (≠ R264)

1q51B Crystal structure of mycobacterium tuberculosis menb in complex with acetoacetyl-coenzyme a, a key enzyme in vitamin k2 biosynthesis (see paper)
46% identity, 94% coverage: 13:272/276 of query aligns to 16:276/280 of 1q51B

query
sites
1q51B

D

D

Y

L

S

T

D

D

I

I

R

T

Y

Y

E

H

-

R

-

H

T

V

C

D

D

D

G

A

I

T

A

V

K

R

I

V

T

A

I

F

N

N

R

R

P

P

E

E

R
x
V

R
|
R

N

N

A
|
A

F

F

R

R

P

P

E

H

T

T

V

V

M

D

Q

E

L

L

I

Y

D

R

A

V

F

L

H

D

L

H

A

A

H

R

R

M

D

S

N

P

A

D

V

V

G

G

A

V

I

V

I

L

L

L

T

T

G

G

E

N

G

G

P

P

D

S

-

P

-

K

-

D

-

G

-

W

A

A

F

F

C

C

A
x
S

G

G

G
|
G

D
|
D

Q
|
Q

K

T

V

V

R

-

G

-

D

-

G

-

Y

-

H

-

D

D

E

V

S

A

G

R

T

A

P

G

H

R

L

L

N
x
H

V

I

L

L

D

E

L

V

Q

Q

M

R

Q

L

I

I

R

R

R

F

L

M

P

P

K

K

P

V

V

V

V

I

A

C

M

L

V

V

A

N

G

G

Y
x
W

A

A

I

A

G
|
G

G

G

H

H

V
x
S

L

L

H

H

L

V

V

V

C

C

D

D

L

L

S

T

I

L

A

A

A

S

-

R

E

E

N

Y

A

A

R

R

F

F

G

K

Q

Q

T
|
T

G
x
D

P

A

R

D

V

V

G

G

S
|
S

F

F

D
|
D

A
x
G

G

G

L

Y

G

G

A

S

G

A

L

Y

M

L

A

A

R

R

T

Q

I

V

G

G

M

Q

K

K

R

F

A

A

K

R

E

E

I

I

W

F

F

F

L

L

C

G

R

R

Q

T

Y

Y

D

T

A

A

V

E

Q

Q

A

M

L

H

D

Q

W

M

G

G

L

A

V

V

N

N

T

A

V

V

V

A

P

E

V

H

E

A

K

E

L

L

E

E

E

T

E

V

T

G

V

L

A

Q

W

W

C

A

Q

A

E

E

M

I

L

N

R

A

L

K

S

S

P

P

M

Q

A

A

L

Q

R

R

M

M

L

L

K

K

A

F

G

A

F

F

N

N

A

L

D

L

T

D

D

D

G

G

L

L

A

V

G

G

I

Q

Q

Q

E

L

L

F

A
|
A

G

G

N

E

A

A

T

T

G

R

L

L

F

A

Y
|
Y

M

M

T

T

E

D

E

E

G

A

Q

V

E

E

G

G

R

R

D

D

A

A

W

F

L

L

E

Q

R

K

R

R

P

P

D

D

F

W

G

S

K

P

Y

F

active site: G88 (= G77), H101 (≠ N98), G127 (= G124), S130 (≠ V127), D151 (≠ G147), S156 (= S152), D158 (= D154), G159 (≠ A155), A245 (= A241), Y253 (= Y249)
binding acetoacetyl-coenzyme a: V40 (≠ R35), R41 (= R36), A43 (= A38), S86 (≠ A75), G88 (= G77), D89 (= D78), Q90 (= Q79), W123 (≠ Y120), G126 (= G123), G127 (= G124), T150 (= T146)

1q51A Crystal structure of mycobacterium tuberculosis menb in complex with acetoacetyl-coenzyme a, a key enzyme in vitamin k2 biosynthesis (see paper)
45% identity, 94% coverage: 13:272/276 of query aligns to 16:267/271 of 1q51A

query
sites
1q51A

D

D

Y

L

S

T

D

D

I

I

R

T

Y

Y

E

H

-

R

-

H

T

V

C

D

D

D

G

A

I

T

A

V

K

R

I

V

T

A

I

F

N

N

R

R

P

P

E

E

R
x
V

R
|
R

N

N

A

A

F

F

R

R

P

P

E

H

T

T

V

V

M

D

Q

E

L

L

I

Y

D

R

A

V

F

L

H

D

L

H

A

A

H

R

R

M

D

S

N

P

A

D

V

V

G

G

A

V

I

V

I

L

L

L

T

T

G

G

E

N

G

G

P

P

D

S

-

P

-
x
K

-

D

-

G

-

W

A

A

F

F

C

C

A
x
S

G

G

G
|
G

D
|
D

Q
|
Q

K

-

V

-

R

-

G

-

D

-

G

-

Y

-

H

-

D

-

E

-

S

-

G

-

T

-

P

-

H

-

L

L

N
x
H

V

I

L

L

D

E

L

V

Q

Q

M

R

Q

L

I

I

R

R

R

F

L

M

P

P

K

K

P

V

V

V

V

I

A

C

M

L

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C

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active site: G88 (= G77), H92 (≠ N98), G118 (= G124), S121 (≠ V127), D142 (≠ G147), S147 (= S152), D149 (= D154), G150 (≠ A155), A236 (= A241), Y244 (= Y249)
binding acetoacetyl-coenzyme a: V40 (≠ R35), R41 (= R36), K78 (vs. gap), S86 (≠ A75), G88 (= G77), D89 (= D78), Q90 (= Q79), W114 (≠ Y120), G117 (= G123), G118 (= G124), T141 (= T146)

1rjnB The crystal structure of menb (rv0548c) from mycobacterium tuberculosis in complex with the coa portion of naphthoyl coa (see paper)
45% identity, 94% coverage: 13:272/276 of query aligns to 20:271/275 of 1rjnB

query
sites
1rjnB

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active site: G92 (= G77), H96 (≠ N98), G122 (= G124), S125 (≠ V127), D146 (≠ G147), S151 (= S152), D153 (= D154), G154 (≠ A155), A240 (= A241)
binding coenzyme a: V44 (≠ R35), R45 (= R36), K82 (vs. gap), S90 (≠ A75), G92 (= G77), D93 (= D78), Q94 (= Q79), W118 (≠ Y120)
binding 3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid: R163 (= R164), Q164 (≠ T165), V165 (≠ I166), M188 (≠ W189)

3t8aB Crystal structure of mycobacterium tuberculosis menb in complex with substrate analogue, osb-ncoa (see paper)
45% identity, 94% coverage: 13:272/276 of query aligns to 19:270/274 of 3t8aB

query
sites
3t8aB

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active site: G91 (= G77), H97 (≠ N98), G123 (= G124), S126 (≠ V127), D147 (≠ G147), S152 (= S152), D154 (= D154), G155 (≠ A155), A241 (= A241), Y249 (= Y249)
binding o-succinylbenzoyl-N-coenzyme A: V43 (≠ R35), R44 (= R36), K81 (vs. gap), S89 (≠ A75), G91 (= G77), D92 (= D78), Q93 (= Q79), W119 (≠ Y120)

Query Sequence

>Dsui_2913 FitnessBrowser__PS:Dsui_2913
MIRPALPWVAQADYSDIRYETCDGIAKITINRPERRNAFRPETVMQLIDAFHLAHRDNAV
GAIILTGEGPDAFCAGGDQKVRGDDGGYHDESGTPHLNVLDLQMQIRRLPKPVVAMVAGY
AIGGGHVLHLVCDLSIAAENARFGQTGPRVGSFDAGLGAGLMARTIGMKRAKEIWFLCRQ
YDAVQALDWGLVNTVVPVEKLEEETVAWCQEMLRLSPMALRMLKAGFNADTDGLAGIQEL
AGNATGLFYMTEEGQEGRDAWLERRPPDFGKYRKRP

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