SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing BWI76_RS20065 BWI76_RS20065 1,4-dihydroxy-2-naphthoyl-CoA synthase 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)
96% identity, 100% coverage: 1:285/285 of query aligns to 1:285/285 of Q7CQ56

query
sites
Q7CQ56

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QTG 154:156 (= QTG 154:156) binding

4i42A E.Coli. 1,4-dihydroxy-2-naphthoyl coenzyme a synthase (ecmenb) in complex with 1-hydroxy-2-naphthoyl-coa (see paper)
95% identity, 100% coverage: 1:285/285 of query aligns to 1:285/285 of 4i42A

query
sites
4i42A

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active site: G86 (= G86), R91 (= R91), Y97 (= Y97), H105 (= H105), L109 (= L109), G133 (= G133), V136 (= V136), G156 (= G156), S161 (= S161), D163 (= D163), G164 (= G164), A250 (= A250), Y258 (= Y258)
binding 1-hydroxy-2-naphthoyl-CoA: V44 (= V44), R45 (= R45), S84 (≠ A84), G85 (= G85), G86 (= G86), D87 (= D87), Q88 (= Q88), K89 (= K89), Y97 (= Y97), V108 (= V108), Y129 (= Y129), G133 (= G133), T155 (= T155), S161 (= S161), T254 (= T254), F270 (= F270), K273 (= K273)

P0ABU0 1,4-dihydroxy-2-naphthoyl-CoA synthase; DHNA-CoA synthase; EC 4.1.3.36 from Escherichia coli (strain K12) (see 4 papers)
95% identity, 100% coverage: 1:285/285 of query aligns to 1:285/285 of P0ABU0

query
sites
P0ABU0

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R45 (= R45) binding in other chain
SGGDQK 84:89 (≠ AGGDQK 84:89) binding in other chain
K89 (= K89) mutation to A: Strongly decreases affinity for substrate and DHNA-CoA synthase activity.
R91 (= R91) mutation to A: Loss of DHNA-CoA synthase activity.
Y97 (= Y97) binding in other chain; mutation to F: Loss of DHNA-CoA synthase activity.
YSIGG 129:133 (= YSIGG 129:133) binding in other chain
Q154 (= Q154) 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 154:156) binding
T155 (= T155) binding in other chain
G156 (= G156) mutation to D: Loss of DHNA-CoA synthase activity.
S161 (= S161) binding in other chain
W184 (= W184) mutation to F: Reduces the specific DHNA-CoA synthase activity by 530-fold, whereas its affinity for hydrogencarbonate is reduced by 20-fold.
Y258 (= Y258) binding
R267 (= R267) mutation to A: Strongly decreases affinity for substrate and DHNA-CoA synthase activity.
F270 (= F270) mutation to A: Strongly decreases affinity for substrate and DHNA-CoA synthase activity.
K273 (= K273) binding ; mutation to A: Impairs protein folding.

3t88A Crystal structure of escherichia coli menb in complex with substrate analogue, osb-ncoa (see paper)
95% identity, 99% coverage: 5:285/285 of query aligns to 1:281/281 of 3t88A

query
sites
3t88A

D

D

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D

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G

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active site: G82 (= G86), R87 (= R91), Y93 (= Y97), H101 (= H105), L105 (= L109), G129 (= G133), V132 (= V136), G152 (= G156), S157 (= S161), D159 (= D163), G160 (= G164), A246 (= A250), Y254 (= Y258)
binding o-succinylbenzoyl-N-coenzyme A: Q39 (= Q43), V40 (= V44), R41 (= R45), A43 (= A47), S80 (≠ A84), G81 (= G85), G82 (= G86), D83 (= D87), Q84 (= Q88), K85 (= K89), Y93 (= Y97), V104 (= V108), L105 (= L109), Y125 (= Y129), G129 (= G133), T151 (= T155), V155 (= V159), F158 (= F162), D159 (= D163), T250 (= T254), Y254 (= Y258), F266 (= F270), K269 (= K273)

3h02A 2.15 angstrom resolution crystal structure of naphthoate synthase from salmonella typhimurium.
92% identity, 99% coverage: 5:285/285 of query aligns to 1:266/266 of 3h02A

query
sites
3h02A

D

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Q

H

D

D

C

C

S

S

E

E

G

G

Y

Y

T

T

D

D

I

I

R

R

Y

Y

Q

E

K

K

S

S

A

T

D

D

G

G

I

I

A

A

K

K

I

I

T

T

I

I

N

N

R

R

P

P

Q

Q

V

V

R

R

N

N

A

A

F

F

R

R

P

P

L

L

T

T

V

V

K

K

E

E

M

M

I

I

Q

Q

A

A

L

L

A

A

D

D

A

A

R

R

Y

Y

D

D

N

N

I

V

G

G

V

V

I

I

V

I

L

L

T

T

G

G

E

E

G

G

D

D

K

K

A

A

F

F

C

C

A

A

G

G

G
|
G

D

D

Q

Q

K

-

V

-

R

-

G

-

D

-

Y

-

G

-

Y

-

Q

-

D

-

S

-

G

-

V

-

H

H

H
|
H

L

L

N

N

V

V

L
|
L

D

D

F

F

Q

Q

R

R

Q

Q

I

I

R

R

T

T

C

C

P

P

K

K

P

P

V

V

L

V

A

A

M

M

V

V

A

A

G

G

Y

Y

S

S

I

I

G
|
G

G

G

H

H

V
|
V

L

L

H

H

M

M

C

C

D

D

L

L

T

T

I

I

A

A

E

E

N

N

A

A

I

I

F

F

G

G

Q
|
Q

T

T

G
|
G

P

P

K

K

V

V

G

G

S
|
S

F

F

D
|
D

G
|
G

G

G

W

W

G

G

A

A

S

S

Y

Y

M

M

A

A

R

R

I

I

V

V

G

G

Q

Q

K

K

A

A

R

R

E

E

I

I

W
|
W

F

F

L

L

C

C

R

R

Q

Q

Y

Y

D

D

A

A

Q

Q

A

A

L

L

D

D

M

M

G

G

L

L

V

V

N

N

T

T

V

V

P

P

L

L

A

A

D

D

L

L

E

E

K

K

E

E

T

T

V

V

R

R

W

W

C

C

R

R

E

E

M

M

L

L

Q

Q

N

N

S

S

P

P

M

M

A

A

L

L

R

R

C

C

L

L

K

K

A

A

L

L

N

N

A

A

D

D

C

C

D

D

G

G

Q

Q

A

A

G

G

L

L

Q

Q

E

E

L

L

A
|
A

G

G

N

N

A

A

T

T

M

M

L

L

F

F

Y
|
Y

M

M

T

T

E

E

G

G

Q

Q

E

E

G

G

R

R

N

N

A

A

F

F

N

N

Q

Q

K

K

R

R

Q

Q

P

P

D

D

F

F

S

S

K

K

F

F

K

K

R

R

N

N

P

P

active site: G82 (= G86), H86 (= H105), L90 (= L109), G114 (= G133), V117 (= V136), G137 (= G156), S142 (= S161), D144 (= D163), G145 (= G164), A231 (= A250), Y239 (= Y258)
binding bicarbonate ion: G113 (= G132), Q135 (= Q154), G137 (= G156), W165 (= W184)

4elxA Structure of apo e.Coli. 1,4-dihydroxy-2- naphthoyl coa synthases with cl (see paper)
91% identity, 99% coverage: 5:285/285 of query aligns to 2:268/268 of 4elxA

query
sites
4elxA

D

D

E

E

A

A

M

M

L

L

Y

Y

A

A

P

P

I

V

E

E

W

W

Q

H

D

D

C

C

S

S

E

E

G

G

Y

F

T

E

D

D

I

I

R

R

Y

Y

Q

E

K

K

S

S

A

T

D

D

G

G

I

I

A

A

K

K

I

I

T

T

I

I

N

N

R

R

P

P

Q

Q

V

V

R

R

N

N

A

A

F

F

R

R

P

P

L

L

T

T

V

V

K

K

E

E

M

M

I

I

Q

Q

A

A

L

L

A

A

D

D

A

A

R

R

Y

Y

D

D

N

N

I

I

G

G

V

V

I

I

V

I

L

L

T

T

G

G

E

A

G

G

D

D

K

K

A

A

F

F

C

C

A

S

G

G

G
|
G

D

D

Q

Q

K

K

V

-

R

-

G

-

D

-

Y

-

G

-

Y

-

Q

-

D

-

S

-

G

-

V

-

H

H

H
|
H

L

L

N

N

V

V

L
|
L

D

D

F

F

Q

Q

R

R

Q

Q

I

I

R

R

T

T

C

C

P

P

K

K

P

P

V

V

L

V

A

A

M

M

V

V

A

A

G

G

Y

Y

S

S

I

I

G
|
G

G

G

H

H

V
|
V

L

L

H

H

M

M

C

C

D

D

L

L

T

T

I

I

A

A

E

D

N

N

A

A

I

I

F

F

G

G

Q

Q

T

T

G
|
G

P

P

K

K

V

V

G

G

S
|
S

F

F

D
|
D

G
|
G

G

G

W

W

G

G

A

A

S

S

Y

Y

M

M

A

A

R

R

I

I

V

V

G

G

Q

Q

K

K

A

A

R

R

E

E

I

I

W
|
W

F

F

L

L

C

C

R

R

Q

Q

Y

Y

D

D

A

A

Q

K

Q

Q

A

A

L

L

D

D

M

M

G

G

L

L

V

V

N

N

T

T

V

V

P

P

L

L

A

A

D

D

L

L

E

E

K

K

E

E

T

T

V

V

R

R

W

W

C

C

R

R

E

E

M

M

L

L

Q

Q

N

N

S

S

P

P

M

M

A

A

L

L

R

R

C

C

L

L

K

K

A

A

L

L

N

N

A

A

D

D

C

C

D

D

G

G

Q

Q

A

A

G

G

L

L

Q

Q

E

E

L

L

A
|
A

G

G

N

N

A

A

T

T

M

M

L

L

F

F

Y
|
Y

M

M

T

T

E

E

G

G

Q

Q

E

E

G

G

R

R

N

N

A

A

F

F

N

N

Q

Q

K

K

R

R

Q

Q

P

P

D

D

F

F

S

S

K

K

F

F

K

K

R

R

N

N

P

P

active site: G83 (= G86), H88 (= H105), L92 (= L109), G116 (= G133), V119 (= V136), G139 (= G156), S144 (= S161), D146 (= D163), G147 (= G164), A233 (= A250), Y241 (= Y258)
binding chloride ion: G115 (= G132), G139 (= G156), W167 (= W184)

4elwA Structure of e. Coli. 1,4-dihydroxy-2- naphthoyl coenzyme a synthases (menb) in complex with nitrate (see paper)
90% identity, 99% coverage: 5:285/285 of query aligns to 2:267/267 of 4elwA

query
sites
4elwA

D

D

E

E

A

A

M

M

L

L

Y

Y

A

A

P

P

I

V

E

E

W

W

Q

H

D

D

C

C

S

S

E

E

G

G

Y

F

T

E

D

D

I

I

R

R

Y

Y

Q

E

K

K

S

S

A

T

D

D

G

G

I

I

A

A

K

K

I

I

T

T

I

I

N

N

R

R

P

P

Q

Q

V

V

R

R

N

N

A

A

F

F

R

R

P

P

L

L

T

T

V

V

K

K

E

E

M

M

I

I

Q

Q

A

A

L

L

A

A

D

D

A

A

R

R

Y

Y

D

D

N

N

I

I

G

G

V

V

I

I

V

I

L

L

T

T

G

G

E

A

G

G

D

D

K

K

A

A

F

F

C

C

A

S

G

G

G
|
G

D

D

Q

Q

K

K

V

-

R

-

G

-

D

-

Y

-

G

-

Y

-

Q

-

D

-

S

-

G

-

V

-

H

-

H

H

L

L

N

N

V

V

L
|
L

D

D

F

F

Q

Q

R

R

Q

Q

I

I

R

R

T

T

C

C

P

P

K

K

P

P

V

V

L

V

A

A

M

M

V

V

A

A

G

G

Y

Y

S

S

I

I

G
|
G

G

G

H

H

V
|
V

L

L

H

H

M

M

C

C

D

D

L

L

T

T

I

I

A

A

E

D

N

N

A

A

I

I

F

F

G

G

Q

Q

T
|
T

G
|
G

P

P

K

K

V

V

G

G

S
|
S

F
|
F

D
|
D

G
|
G

G

G

W

W

G

G

A

A

S

S

Y

Y

M

M

A

A

R

R

I

I

V

V

G

G

Q

Q

K

K

A

A

R

R

E

E

I

I

W
|
W

F

F

L

L

C

C

R

R

Q

Q

Y

Y

D

D

A

A

Q

K

Q

Q

A

A

L

L

D

D

M

M

G

G

L

L

V

V

N

N

T

T

V

V

P

P

L

L

A

A

D

D

L

L

E

E

K

K

E

E

T

T

V

V

R

R

W

W

C

C

R

R

E

E

M

M

L

L

Q

Q

N

N

S

S

P

P

M

M

A

A

L

L

R

R

C

C

L

L

K

K

A

A

L

L

N

N

A

A

D

D

C

C

D

D

G

G

Q

Q

A

A

G

G

L

L

Q

Q

E

E

L

L

A
|
A

G

G

N

N

A

A

T

T

M

M

L

L

F

F

Y
|
Y

M

M

T

T

E

E

G

G

Q

Q

E

E

G

G

R

R

N

N

A

A

F

F

N

N

Q

Q

K

K

R

R

Q

Q

P

P

D

D

F

F

S

S

K

K

F

F

K

K

R

R

N

N

P

P

active site: G83 (= G86), L91 (= L109), G115 (= G133), V118 (= V136), G138 (= G156), S143 (= S161), D145 (= D163), G146 (= G164), A232 (= A250), Y240 (= Y258)
binding nitrate ion: G114 (= G132), T137 (= T155), G138 (= G156), F144 (= F162), W166 (= W184)

Q5HH38 1,4-dihydroxy-2-naphthoyl-CoA synthase; DHNA-CoA synthase; EC 4.1.3.36 from Staphylococcus aureus (strain COL) (see paper)
65% identity, 95% coverage: 14:285/285 of query aligns to 5:273/273 of Q5HH38

query
sites
Q5HH38

E

Q

W

W

Q

E

D

T

C

L

S

R

E

E

G

-

Y

Y

T

D

D

E

I

I

R

K

Y

Y

Q

E

K

-

S

F

A

Y

D

E

G

G

I

I

A

A

K

K

I

V

T

T

I

I

N

N

R

R

P

P

Q

E

V

V

R
|
R

N

N

A

A

F

F

R

T

P

P

L

K

T

T

V

V

K

A

E

E

M

M

I

I

Q

D

A

A

L

F

A

S

D

R

A

A

R

R

Y

D

D

D

D

Q

N

N

I

V

G

S

V

V

I

I

V

V

L

L

T

T

G

G

E

E

G

G

D

D

K

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

-

Y

H

G

G

Y

Y

Q

V

D

G

D

E

S

D

G

Q

V

I

H

P

H

R

L

L

N

N

V

V

L

L

D

D

F

L

Q

Q

R

R

Q

L

I

I

R

R

T

I

C

I

P

P

K

K

P

P

V

V

L

I

A

A

M

M

V

V

A

K

G

G

Y

Y

S

A

I

V

G

G

H

N

V

V

L

L

H

N

M

V

C

C

D

D

L

L

T

T

I

I

A

A

E

D

N

N

A

A

I

I

F

F

G

G

Q

Q

T

T

G

G

P

P

K

K

V

V

G

G

S
|
S

F

F

D

D

G

A

G

G

W

Y

G

G

A

S

S

G

Y

Y

M

L

A

A

R

R

I

I

V

V

G

G

Q

H

K

K

A

A

R

R

E

E

I

I

W

W

F

Y

L

L

C

C

R

R

Q

Q

Y

Y

D

N

A

A

Q

Q

Q

E

A

A

L

L

D

D

M

M

G

G

L

L

V

V

N

N

T

T

V

V

P

P

L

L

A

E

D

K

L

V

E

E

K

D

E

E

T

T

V

V

R

Q

W

W

C

C

R

K

E

E

M

I

L

M

Q

K

N

H

S

S

P

P

M

T

A

A

L

L

R

R

C

F

L

L

K

K

A

A

L

M

N

N

A

A

D

D

C

T

D

D

G

G

Q

L

A

A

G

G

L

L

Q

Q

E

Q

L

M

A

A

G

G

N

D

A

A

T

T

M

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

N

D

A

A

F

F

N

K

Q

E

K

K

R

R

Q

D

P

P

D

D

F

F

S

D

K

Q

F

F

K

P

R

K

N

F

P

P

R34 (= R45) binding in other chain
SGGDQ 73:77 (≠ AGGDQ 84:88) binding in other chain
S149 (= S161) binding in other chain

4i52A Scmenb im complex with 1-hydroxy-2-naphthoyl-coa (see paper)
66% identity, 96% coverage: 13:285/285 of query aligns to 1:275/275 of 4i52A

query
sites
4i52A

I

M

E

D

W

W

Q

H

D

-

C

I

S

A

E

K

G

H

Y

Y

T

D

D

D

I

I

R

L

Y

Y

Q

Y

K

K

S

-

A

A

D

G

G

G

I

I

A

A

K

K

I

I

T

V

I

I

N

N

R

R

P

P

Q
x
H

V
x
K

R
|
R

N

N

A
|
A

F

F

R

R

P

P

L

Q

T

T

V

V

K

F

E

E

M

L

I

Y

Q

D

A

A

L

F

A

C

D

N

A

A

R

R

Y

E

D

D

D

N

N

R

I

I

G

G

V

V

I

V

V

L

L

L

T

T

G

G

-

A

-

G

-

P

-

H

-

S

E

D

G

G

D

K

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

Y

-

G

G

Y
|
Y

Q

I

D

D

S

Q

G

G

V

T

H

P

H
x
R

L
|
L

N

N

V
|
V

L
|
L

D

D

F

L

Q

Q

R

R

Q

L

I

I

R

R

T

S

C

M

P

P

K

K

P

V

V

V

L

I

A

A

M

L

V

V

A

A

G

G

Y
|
Y

S

A

I
|
I

G

G

G
|
G

G

G

H

H

V
|
V

L

L

H

H

M

L

M

V

C

C

D

D

L

L

T

T

I

I

A

A

E

D

N

N

A

A

I

I

F

F

G

G

Q

Q

T
|
T

G
|
G

P

P

K

K

V
|
V

G

G

S
|
S

F
|
F

D
|
D

G
|
G

G

G

W

F

G

G

A

S

S

S

Y

Y

M

L

A

A

R

R

I

I

V

V

G

G

Q

Q

K

K

A

A

R

R

E

E

I

I

W

W

F

Y

L

L

C

C

R

R

Q

Q

Y

Y

D

S

A

A

Q

Q

Q

E

A

A

L

E

D

R

M

M

G

G

L

M

V

V

N

N

T

T

V

V

P

P

L

V

A

D

D

R

L

L

E

E

K

E

E

E

T

G

V

I

R

Q

W

W

C

A

R

K

E

E

M

I

L

L

Q

S

N

K

S

S

P

P

M

L

A

A

L

I

R

R

C

C

L

L

K

K

A

A

L

F

N

N

A

A

D

D

C

C

D

D

G

G

Q

Q

A

A

G

G

L

L

Q

Q

E

E

L

L

A
|
A

G

G

N

N

A

A

T

T

M

L

L

L

F

Y

Y
|
Y

M

M

T

T

E

E

G

G

Q

S

E

E

G

G

R

K

N

Q

A

A

F

F

N

L

Q

E

K

K

R

R

Q

P

P

P

D

D

F

F

S

S

K

Q

F

Y

K

P

R

W

N

L

P

P

active site: G77 (= G86), R82 (= R91), Y87 (= Y97), R95 (≠ H105), L99 (= L109), G123 (= G133), V126 (= V136), G146 (= G156), S151 (= S161), D153 (= D163), G154 (= G164), A240 (= A250), Y248 (= Y258)
binding 1-hydroxy-2-naphthoyl-CoA: H29 (≠ Q43), K30 (≠ V44), R31 (= R45), A33 (= A47), S75 (≠ A84), G76 (= G85), G77 (= G86), D78 (= D87), Q79 (= Q88), L96 (= L106), V98 (= V108), Y119 (= Y129), I121 (= I131), G123 (= G133), T145 (= T155), V149 (= V159), S151 (= S161), F152 (= F162)

4i4zA Synechocystis sp. Pcc 6803 1,4-dihydroxy-2-naphthoyl-coenzyme a synthase (menb) in complex with salicylyl-coa (see paper)
66% identity, 96% coverage: 13:285/285 of query aligns to 1:275/275 of 4i4zA

query
sites
4i4zA

I

M

E

D

W

W

Q

H

D

-

C

I

S

A

E

K

G

H

Y

Y

T

D

D

D

I

I

R

L

Y

Y

Q

Y

K

K

S

-

A

A

D

G

G

G

I

I

A

A

K

K

I

I

T

V

I

I

N

N

R

R

P

P

Q
x
H

V
x
K

R
|
R

N

N

A

A

F

F

R

R

P

P

L

Q

T

T

V

V

K

F

E

E

M

L

I

Y

Q

D

A

A

L

F

A

C

D

N

A

A

R

R

Y

E

D

D

D

N

N

R

I

I

G

G

V

V

I

V

V

L

L

L

T

T

G

G

-

A

-

G

-

P

-

H

-

S

E

D

G

G

D

K

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

Y

-

G

G

Y
|
Y

Q

I

D

D

S

Q

G

G

V

T

H

P

H
x
R

L

L

N

N

V
|
V

L
|
L

D

D

F

L

Q

Q

R

R

Q

L

I

I

R

R

T

S

C

M

P

P

K

K

P

V

V

V

L

I

A

A

M

L

V

V

A

A

G

G

Y

Y

S

A

I

I

G
|
G

G

G

H

H

V
|
V

L

L

H

H

M

L

M

V

C

C

D

D

L

L

T

T

I

I

A

A

E

D

N

N

A

A

I

I

F

F

G

G

Q
|
Q

T
|
T

G
|
G

P

P

K

K

V
|
V

G

G

S
|
S

F

F

D
|
D

G
|
G

G

G

W

F

G

G

A

S

S

S

Y

Y

M

L

A

A

R

R

I

I

V

V

G

G

Q

Q

K

K

A

A

R

R

E

E

I

I

W
|
W

F

Y

L

L

C

C

R

R

Q

Q

Y

Y

D

S

A

A

Q

Q

Q

E

A

A

L

E

D

R

M

M

G

G

L

M

V

V

N

N

T

T

V

V

P

P

L

V

A

D

D

R

L

L

E

E

K

E

E

E

T

G

V

I

R

Q

W

W

C

A

R

K

E

E

M

I

L

L

Q

S

N

K

S

S

P

P

M

L

A

A

L

I

R

R

C

C

L

L

K

K

A

A

L

F

N

N

A

A

D

D

C

C

D

D

G

G

Q

Q

A

A

G

G

L

L

Q

Q

E

E

L

L

A
|
A

G

G

N

N

A

A

T

T

M

L

L

L

F

Y

Y
|
Y

M

M

T

T

E

E

G

G

Q

S

E

E

G

G

R

K

N

Q

A

A

F
|
F

N

L

Q

E

K
|
K

R

R

Q

P

P

P

D

D

F

F

S

S

K

Q

F

Y

K

P

R

W

N

L

P

P

active site: G77 (= G86), R82 (= R91), Y87 (= Y97), R95 (≠ H105), L99 (= L109), G123 (= G133), V126 (= V136), G146 (= G156), S151 (= S161), D153 (= D163), G154 (= G164), A240 (= A250), Y248 (= Y258)
binding Salicylyl CoA: H29 (≠ Q43), K30 (≠ V44), R31 (= R45), S75 (≠ A84), G76 (= G85), G77 (= G86), D78 (= D87), Q79 (= Q88), Y87 (= Y97), V98 (= V108), G123 (= G133), T145 (= T155), V149 (= V159), S151 (= S161), F260 (= F270), K263 (= K273)
binding bicarbonate ion: G122 (= G132), Q144 (= Q154), T145 (= T155), G146 (= G156), W174 (= W184)

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)
67% identity, 93% coverage: 22:285/285 of query aligns to 74:337/337 of Q8GYN9

query
sites
Q8GYN9

Y

F

T

V

D

D

I

I

R

I

Y

Y

Q

E

K

K

S

A

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

Q

E

V

R

R

R

N

N

A

A

F

F

R

R

P

P

L

Q

T

T

V

V

K

K

E

E

M

L

I

M

Q

R

A

A

L

F

A

N

D

D

A

A

R

R

Y

D

D

D

D

S

N

S

I

V

G

G

V

V

I

I

V

I

L

L

T

T

G

G

E

K

G

G

D

T

K

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

Y

-

G

D

G

G

Y

Y

Q

A

D

D

D

P

S

N

G

D

V

V

H

G

H

R

L

L

N

N

V

V

L

L

D

D

F

L

Q

Q

R

V

Q

Q

I

I

R

R

T

R

C

L

P

P

K

K

P

P

V

V

L

I

A

A

M

M

V

V

A

A

G

G

Y

Y

S

A

I

V

G

G

H

H

V

I

L

L

H

H

M

M

M

V

C

C

D

D

L

L

T

T

I

I

A

A

E

D

N

N

A

A

I

I

F

F

G

G

Q

Q

T

T

G

G

P

P

K

K

V

V

G

G

S

S

F

F

D

D

G

A

G

G

W

Y

G

G

A

S

S

S

Y

I

M

M

A

S

R

R

I

L

V

V

G

G

Q

P

K

K

A

A

R

R

E

E

I

M

W

W

F

F

L

M

C

T

R

R

Q

F

Y

Y

D

T

A

A

Q

S

Q

E

A

A

L

E

D

K

M

M

G

G

L

L

V

I

N

N

T

T

V

V

P

P

L

L

A

E

D

D

L

L

E

E

K

K

E

E

T

T

V

V

R

K

W

W

C

C

R

R

E

E

M

I

L

L

Q

R

N

N

S

S

P

P

M

T

A

A

L

I

R

R

C

V

L

L

K

K

A

A

L

L

N

N

A

A

D

V

C

D

D

D

G

G

Q

H

A

A

G

G

L

L

Q

Q

E

G

L

L

A

G

G

G

N

D

A

A

T

T

M

L

L

L

F

F

Y

Y

M

G

T

T

E

E

G

A

Q

T

E

E

G

G

R

R

N

T

A

A

F

Y

N

M

Q

H

K

R

R

R

Q

P

P

P

D

D

F

F

S

S

K

K

F

F

K

H

R

R

N

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)
63% identity, 95% coverage: 15:285/285 of query aligns to 1:260/260 of 2uzfA

query
sites
2uzfA

W

W

Q

E

D

T

C

L

S

R

E

E

G

-

Y

Y

T

D

D

E

I

I

R

K

Y

Y

Q

E

K

-

S

F

A

Y

D

E

G

G

I

I

A

A

K

K

I

V

T

T

I

I

N

N

R

R

P

P

Q

E

V
|
V

R
|
R

N

N

A

A

F

F

R

T

P

P

L

K

T

T

V

V

K

A

E

E

M

M

I

I

Q

D

A

A

L

F

A

S

D

R

A

A

R

R

Y

D

D

D

D

Q

N

N

I

V

G

S

V

V

I

I

V

V

L

L

T

T

G

G

E

E

G

G

D

D

K

L

A

A

F

F

C

C

A
x
S

G
|
G

D
|
D

Q

Q

K

K

V

-

R

-

G

-

D

-

Y

-

G

-

Y

-

Q

-

D

G

D

E

S

D

G

Q

V

I

H

P

H
x
R

L

L

N

N

V

V

L
|
L

D

D

F

L

Q

Q

R

R

Q

L

I

I

R

R

T

I

C

I

P

P

K

K

P

P

V

V

L

I

A

A

M

M

V

V

A

K

G

G

Y
|
Y

S

A

I

V

G

G

G
|
G

G

G

H

N

V
|
V

L

L

H

N

M

V

C

C

D

D

L

L

T

T

I

I

A

A

E

D

N

N

A

A

I

I

F

F

G

G

Q

Q

T
|
T

G
|
G

P

P

K

K

V

V

G

G

S
|
S

F

F

D
|
D

G
x
A

G

G

W

Y

G

G

A

S

S

G

Y

Y

M

L

A

A

R

R

I

I

V

V

G

G

Q

H

K

K

A

A

R

R

E

E

I

I

W

W

F

Y

L

L

C

C

R

R

Q

Q

Y

Y

D

N

A

A

Q

Q

Q

E

A

A

L

L

D

D

M

M

G

G

L

L

V

V

N

N

T

T

V

V

P

P

L

L

A

E

D

K

L

V

E

E

K

D

E

E

T

T

V

V

R

Q

W

W

C

C

R

K

E

E

M

I

L

M

Q

K

N

H

S

S

P

P

M

T

A

A

L

L

R

R

C

F

L

L

K

K

A

A

L

M

N

N

A

A

D

D

C

T

D

D

G

G

Q

L

A

A

G

G

L

L

Q

Q

E

Q

L

M

A
|
A

G

G

N

D

A

A

T

T

M

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

N

D

A

A

F

F

N

K

Q

E

K

K

R

R

Q

D

P

P

D

D

F

F

S

D

K

Q

F

F

K

P

R

K

N

F

P

P

active site: G70 (= G86), R80 (≠ H105), L84 (= L109), G108 (= G133), V111 (= V136), T130 (= T155), G131 (= G156), S136 (= S161), D138 (= D163), A139 (≠ G164), A225 (= A250), Y233 (= Y258)
binding acetoacetyl-coenzyme a: V28 (= V44), R29 (= R45), S68 (≠ A84), G69 (= G85), G70 (= G86), D71 (= D87), Y104 (= Y129), G108 (= G133)

4emlA Synechocystis sp. Pcc 6803 1,4-dihydroxy-2-naphthoyl-coenzyme a synthase (menb) in complex with bicarbonate (see paper)
63% identity, 96% coverage: 13:285/285 of query aligns to 1:261/261 of 4emlA

query
sites
4emlA

I

M

E

D

W

W

Q

H

D

-

C

I

S

A

E

K

G

H

Y

Y

T

D

D

D

I

I

R

L

Y

Y

Q

Y

K

K

S

-

A

A

D

G

G

G

I

I

A

A

K

K

I

I

T

V

I

I

N

N

R

R

P

P

Q

H

V

K

R

R

N

N

A

A

F

F

R

R

P

P

L

Q

T

T

V

V

K

F

E

E

M

L

I

Y

Q

D

A

A

L

F

A

C

D

N

A

A

R

R

Y

E

D

D

D

N

N

R

I

I

G

G

V

V

I

V

V

L

L

L

T

T

G

G

-

A

-

G

-

P

-

H

-

S

E

D

G

G

D

K

K

Y

A

A

F

F

C

C

A

S

G

G

G
|
G

D

D

Q

Q

K

S

V

-

R

-

G

-

D

-

Y

-

G

-

Y

-

Q

-

D

-

S

-

G

-

V

-

H

-

H
x
R

L

L

N

N

V

V

L
|
L

D

D

F

L

Q

Q

R

R

Q

L

I

I

R

R

T

S

C

M

P

P

K

K

P

V

V

V

L

I

A

A

M

L

V

V

A

A

G

G

Y

Y

S

A

I

I

G
|
G

G

G

H

H

V
|
V

L

L

H

H

M

L

M

V

C

C

D

D

L

L

T

T

I

I

A

A

E

D

N

N

A

A

I

I

F

F

G

G

Q
|
Q

T

T

G
|
G

P

P

K

K

V

V

G

G

S
|
S

F

F

D
|
D

G
|
G

G

G

W

F

G

G

A

S

S

S

Y

Y

M

L

A

A

R

R

I

I

V

V

G

G

Q

Q

K

K

A

A

R

R

E

E

I

I

W
|
W

F

Y

L

L

C

C

R

R

Q

Q

Y

Y

D

S

A

A

Q

Q

Q

E

A

A

L

E

D

R

M

M

G

G

L

M

V

V

N

N

T

T

V

V

P

P

L

V

A
x
D

D
x
R

L

L

E
|
E

K
x
E

E

E

T

G

V

I

R

Q

W

W

C

A

R

K

E

E

M

I

L

L

Q

S

N

K

S

S

P

P

M

L

A

A

L

I

R

R

C

C

L

L

K

K

A

A

L

F

N

N

A

A

D

D

C

C

D

D

G

G

Q

Q

A

A

G

G

L

L

Q

Q

E

E

L

L

A
|
A

G

G

N

N

A

A

T

T

M

L

L

L

F

Y

Y
|
Y

M

M

T

T

E

E

G

G

Q

S

E

E

G

G

R

K

N

Q

A

A

F

F

N

L

Q

E

K

K

R

R

Q

P

P

P

D

D

F

F

S

S

K

Q

F

Y

K

P

R

W

N

L

P

P

active site: G77 (= G86), R81 (≠ H105), L85 (= L109), G109 (= G133), V112 (= V136), G132 (= G156), S137 (= S161), D139 (= D163), G140 (= G164), A226 (= A250), Y234 (= Y258)
binding bicarbonate ion: G108 (= G132), Q130 (= Q154), G132 (= G156), W160 (= W184)
binding chloride ion: D184 (≠ A208), R185 (≠ D209), E187 (= E211), E188 (≠ K212)

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)
48% identity, 94% coverage: 17:283/285 of query aligns to 29:312/314 of P9WNP5

query
sites
P9WNP5

D

D

C

G

S

F

E

D

G

D

Y

L

T

T

D

D

I

I

R

T

Y

Y

Q

H

K

R

S

H

A

V

D

D

-

D

G

A

I

T

A

V

K

R

I

V

T

A

I

F

N

N

R

R

P

P

Q

E

V

V

R
|
R

N

N

A

A

F

F

R

R

P

P

L

H

T

T

V

V

K

D

E

E

M

L

I

Y

Q

R

A

V

L

L

A

D

D

H

A

A

R

R

Y

M

D

S

D

P

N

D

I

V

G

G

V

V

I

V

V

L

L

L

T

T

G

G

E

N

G

G

D

P

K

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

-

Y

R

G

S

G

G

Y

Y

Q

Q

D

Y

D

A

S

S

G

G

-

D

-

T

-

A

-

D

-

T

-

V

-

D

-

V

-

A

-

R

V

A

H

G

H
x
R

L

L

N

H

V

I

L

L

D

E

F

V

Q

Q

R

R

Q

L

I

I

R

R

T

F

C

M

P

P

K

K

P

V

V

V

L

I

A

C

M

L

V

V

A

N

G

G

Y
x
W

S
x
A

I
x
A

G
|
G

G

G

H

H

V

S

L

L

H

H

M

V

C

C

D

D

L

L

T

T

I

L

A

A

A

S

-

R

E

E

N

Y

A

A

I

R

F

F

G

K

Q

Q

T
|
T

G
x
D

P

A

K

D

V

V

G

G

S
|
S

F

F

D
|
D

G

G

W

Y

G

G

A

S

S

A

Y

Y

M

L

A

A

R

R

I

Q

V

V

G

G

Q

Q

K

K

K

F

A

A

R

R

E

E

I

I

W

F

F

F

L

L

C

G

R

R

Q

T

Y

Y

D

T

A

A

Q

E

Q

Q

A

M

L

H

D

Q

M

M

G

G

L

A

V

V

N

N

T

A

V

V

V

A

P

E

L

H

A

A

D

E

L

L

E

E

K

T

E

V

T

G

V

L

R

Q

W

W

C

A

R

A

E

E

M

I

L

N

Q

A

N

K

S

S

P

P

M

Q

A

A

L

Q

R

R

C

M

L

L

K

K

A

F

A

A

L

F

N

N

A

L

D

L

C

D

D

D

G

G

Q

L

A

V

G

G

L

Q

Q

Q

E

L

L

F

A

A

G

G

N

E

A

A

T

T

M

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

N

D

A

A

F

F

N

L

Q

Q

K

K

R

R

Q

P

P

P

D

D

F

W

S

S

K

P

F

F

K

P

R

R

R58 (= R45) binding in other chain
K95 (vs. gap) binding in other chain
SGGDQ 103:107 (≠ AGGDQ 84:88) binding in other chain
R133 (≠ H105) mutation to A: Loss of DHNA-CoA synthase activity.
WAAGG 157:161 (≠ YSIGG 129:133) binding in other chain
T184 (= T155) binding in other chain
D185 (≠ G156) mutation to E: Nearly abolishes DHNA-CoA synthase activity.; mutation D->G,N: Loss of DHNA-CoA synthase activity.
S190 (= S161) mutation to A: Reduces affinity for substrate. Nearly abolishes DHNA-CoA synthase activity.
D192 (= D163) mutation to N: Loss of DHNA-CoA synthase activity.
Y287 (= Y258) 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)
48% identity, 94% coverage: 17:283/285 of query aligns to 16:299/301 of 4qijA

query
sites
4qijA

D

D

C

G

S

F

E

D

G

D

Y

L

T

T

D

D

I

I

R

T

Y

Y

Q

H

K

R

S

H

A

V

D

D

-

D

G

A

I

T

A

V

K

R

I

V

T

A

I

F

N

N

R

R

P

P

Q

E

V
|
V

R
|
R

N

N

A
|
A

F
|
F

R

R

P

P

L

H

T

T

V

V

K

D

E

E

M

L

I

Y

Q

R

A

V

L

L

A

D

D

H

A

A

R

R

Y

M

D

S

D

P

N

D

I

V

G

G

V

V

I

V

V

L

L

L

T

T

G

G

E

N

G

G

D

P

K

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

-

Y

R

G

S

G

G

Y
|
Y

Q

Q

D

Y

D

A

S

S

G

G

-

D

-

T

-

A

-

D

-

T

-

V

-

D

-

V

-

A

-
x
R

V

A

H

G

H

R

L
|
L

N
x
H

V
x
I

L

L

D

E

F

V

Q

Q

R

R

Q

L

I

I

R

R

T

F

C

M

P

P

K

K

P

V

V

V

L

I

A

C

M

L

V

V

A

N

G

G

Y
x
W

S

A

I

A

G

G

G
|
G

G

G

H

H

V
x
S

L

L

H

H

M

V

C

C

D

D

L

L

T

T

I

L

A

A

A

S

-

R

E

E

N

Y

A

A

I

R

F

F

G

K

Q

Q

T
|
T

G
x
D

P

A

K

D

V

V

G

G

S
|
S

F

F

D
|
D

G
|
G

G

G

W

Y

G

G

A

S

S

A

Y

Y

M

L

A

A

R

R

I

Q

V

V

G

G

Q

Q

K

K

K

F

A

A

R

R

E

E

I

I

W

F

F

F

L

L

C

G

R

R

Q

T

Y

Y

D

T

A

A

Q

E

Q

Q

A

M

L

H

D

Q

M

M

G

G

L

A

V

V

N

N

T

A

V

V

V

A

P

E

L

H

A

A

D

E

L

L

E

E

K

T

E

V

T

G

V

L

R

Q

W

W

C

A

R

A

E

E

M

I

L

N

Q

A

N

K

S

S

P

P

M

Q

A

A

L

Q

R

R

C

M

L

L

K

K

A

F

A

A

L

F

N

N

A

L

D

L

C

D

D

D

G

G

Q

L

A

V

G

G

L

Q

Q

Q

E

L

L

F

A
|
A

G

G

N

E

A

A

T

T

M

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

N

D

A

A

F
|
F

N

L

Q

Q

K
|
K

R

R

Q

P

P

P

D

D

F

W

S

S

K

P

F

F

K

P

R

R

active site: G92 (= G86), R97 (= R91), Y102 (= Y97), R117 (vs. gap), H122 (≠ N107), G148 (= G133), S151 (≠ V136), D172 (≠ G156), S177 (= S161), D179 (= D163), G180 (= G164), A266 (= A250), Y274 (= Y258)
binding 1-hydroxy-2-naphthoyl-CoA: V44 (= V44), R45 (= R45), A47 (= A47), F48 (= F48), K82 (vs. gap), S90 (≠ A84), G91 (= G85), G92 (= G86), D93 (= D87), Q94 (= Q88), Y102 (= Y97), L121 (= L106), I123 (≠ V108), W144 (≠ Y129), G148 (= G133), T171 (= T155), D172 (≠ G156), S177 (= S161), F286 (= F270), K289 (= K273)

4qiiB Crystal structure of type ii menb from mycobacteria tuberculosis (see paper)
48% identity, 94% coverage: 17:283/285 of query aligns to 16:299/301 of 4qiiB

query
sites
4qiiB

D

D

C

G

S

F

E

D

G

D

Y

L

T

T

D

D

I

I

R

T

Y

Y

Q

H

K

R

S

H

A

V

D

D

-

D

G

A

I

T

A

V

K

R

I

V

T

A

I

F

N

N

R

R

P

P

Q

E

V
|
V

R
|
R

N

N

A
|
A

F

F

R

R

P

P

L

H

T

T

V

V

K

D

E

E

M

L

I

Y

Q

R

A

V

L

L

A

D

D

H

A

A

R

R

Y

M

D

S

D

P

N

D

I

V

G

G

V

V

I

V

V

L

L

L

T

T

G

G

E

N

G

G

D

P

K

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

-

Y

R

G

S

G

G

Y
|
Y

Q

Q

D

Y

D

A

S

S

G

G

-

D

-

T

-

A

-

D

-

T

-

V

-

D

-

V

-

A

-
x
R

V

A

H

G

H

R

L

L

N
x
H

V

I

L

L

D

E

F

V

Q

Q

R

R

Q

L

I

I

R

R

T

F

C

M

P

P

K

K

P

V

V

V

L

I

A

C

M

L

V

V

A

N

G

G

Y
x
W

S

A

I

A

G
|
G

G

G

H

H

V
x
S

L

L

H

H

M

V

C

C

D

D

L

L

T

T

I

L

A

A

A

S

-

R

E

E

N

Y

A

A

I

R

F

F

G

K

Q

Q

T
|
T

G
x
D

P

A

K

D

V
|
V

G

G

S
|
S

F

F

D
|
D

G
|
G

G

G

W

Y

G

G

A

S

S

A

Y

Y

M

L

A

A

R

R

I

Q

V

V

G

G

Q

Q

K

K

K

F

A

A

R

R

E

E

I

I

W

F

F

F

L

L

C

G

R

R

Q

T

Y

Y

D

T

A

A

Q

E

Q

Q

A

M

L

H

D

Q

M

M

G

G

L

A

V

V

N

N

T

A

V

V

V

A

P

E

L

H

A

A

D

E

L

L

E

E

K

T

E

V

T

G

V

L

R

Q

W

W

C

A

R

A

E

E

M

I

L

N

Q

A

N

K

S

S

P

P

M

Q

A

A

L

Q

R

R

C

M

L

L

K

K

A

F

A

A

L

F

N

N

A

L

D

L

C

D

D

D

G

G

Q

L

A

V

G

G

L

Q

Q

Q

E

L

L

F

A
|
A

G

G

N

E

A

A

T

T

M

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

N

D

A

A

F
|
F

N

L

Q

Q

K
|
K

R

R

Q

P

P

P

D

D

F

W

S

S

K

P

F

F

K

P

R

R

active site: G92 (= G86), R97 (= R91), Y102 (= Y97), R117 (vs. gap), H122 (≠ N107), G148 (= G133), S151 (≠ V136), D172 (≠ G156), S177 (= S161), D179 (= D163), G180 (= G164), A266 (= A250), Y274 (= Y258)
binding Salicylyl CoA: V44 (= V44), R45 (= R45), A47 (= A47), K82 (vs. gap), S90 (≠ A84), G92 (= G86), D93 (= D87), Q94 (= Q88), Y102 (= Y97), W144 (≠ Y129), G147 (= G132), G148 (= G133), T171 (= T155), D172 (≠ G156), V175 (= V159), S177 (= S161), Y274 (= Y258), F286 (= F270), K289 (= K273)

1q51B Crystal structure of mycobacterium tuberculosis menb in complex with acetoacetyl-coenzyme a, a key enzyme in vitamin k2 biosynthesis (see paper)
48% identity, 94% coverage: 17:283/285 of query aligns to 12:278/280 of 1q51B

query
sites
1q51B

D

D

C

G

S

F

E

D

G

D

Y

L

T

T

D

D

I

I

R

T

Y

Y

Q

H

K

R

S

H

A

V

D

D

-

D

G

A

I

T

A

V

K

R

I

V

T

A

I

F

N

N

R

R

P

P

Q

E

V
|
V

R
|
R

N

N

A
|
A

F

F

R

R

P

P

L

H

T

T

V

V

K

D

E

E

M

L

I

Y

Q

R

A

V

L

L

A

D

D

H

A

A

R

R

Y

M

D

S

D

P

N

D

I

V

G

G

V

V

I

V

V

L

L

L

T

T

G

G

E

N

G

G

D

P

K

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

-

Y

-

G

-

Y

-

Q

-

D

D

D

V

S

A

G

R

V

A

H

G

H

R

L

L

N
x
H

V

I

L

L

D

E

F

V

Q

Q

R

R

Q

L

I

I

R

R

T

F

C

M

P

P

K

K

P

V

V

V

L

I

A

C

M

L

V

V

A

N

G

G

Y
x
W

S

A

I

A

G
|
G

G

G

H

H

V
x
S

L

L

H

H

M

V

C

C

D

D

L

L

T

T

I

L

A

A

A

S

-

R

E

E

N

Y

A

A

I

R

F

F

G

K

Q

Q

T
|
T

G
x
D

P

A

K

D

V

V

G

G

S
|
S

F

F

D
|
D

G
|
G

G

G

W

Y

G

G

A

S

S

A

Y

Y

M

L

A

A

R

R

I

Q

V

V

G

G

Q

Q

K

K

K

F

A

A

R

R

E

E

I

I

W

F

F

F

L

L

C

G

R

R

Q

T

Y

Y

D

T

A

A

Q

E

Q

Q

A

M

L

H

D

Q

M

M

G

G

L

A

V

V

N

N

T

A

V

V

V

A

P

E

L

H

A

A

D

E

L

L

E

E

K

T

E

V

T

G

V

L

R

Q

W

W

C

A

R

A

E

E

M

I

L

N

Q

A

N

K

S

S

P

P

M

Q

A

A

L

Q

R

R

C

M

L

L

K

K

A

F

A

A

L

F

N

N

A

L

D

L

C

D

D

D

G

G

Q

L

A

V

G

G

L

Q

Q

Q

E

L

L

F

A
|
A

G

G

N

E

A

A

T

T

M

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

N

D

A

A

F

F

N

L

Q

Q

K

K

R

R

Q

P

P

P

D

D

F

W

S

S

K

P

F

F

K

P

R

R

active site: G88 (= G86), H101 (≠ N107), G127 (= G133), S130 (≠ V136), D151 (≠ G156), S156 (= S161), D158 (= D163), G159 (= G164), A245 (= A250), Y253 (= Y258)
binding acetoacetyl-coenzyme a: V40 (= V44), R41 (= R45), A43 (= A47), S86 (≠ A84), G88 (= G86), D89 (= D87), Q90 (= Q88), W123 (≠ Y129), G126 (= G132), G127 (= G133), T150 (= T155)

1q51A Crystal structure of mycobacterium tuberculosis menb in complex with acetoacetyl-coenzyme a, a key enzyme in vitamin k2 biosynthesis (see paper)
48% identity, 94% coverage: 17:283/285 of query aligns to 12:269/271 of 1q51A

query
sites
1q51A

D

D

C

G

S

F

E

D

G

D

Y

L

T

T

D

D

I

I

R

T

Y

Y

Q

H

K

R

S

H

A

V

D

D

-

D

G

A

I

T

A

V

K

R

I

V

T

A

I

F

N

N

R

R

P

P

Q

E

V
|
V

R
|
R

N

N

A

A

F

F

R

R

P

P

L

H

T

T

V

V

K

D

E

E

M

L

I

Y

Q

R

A

V

L

L

A

D

D

H

A

A

R

R

Y

M

D

S

D

P

N

D

I

V

G

G

V

V

I

V

V

L

L

L

T

T

G

G

E

N

G

G

D

P

K

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

-

Y

-

G

-

Y

-

Q

-

D

-

S

-

G

-

V

-

H

-

L

L

N
x
H

V

I

L

L

D

E

F

V

Q

Q

R

R

Q

L

I

I

R

R

T

F

C

M

P

P

K

K

P

V

V

V

L

I

A

C

M

L

V

V

A

N

G

G

Y
x
W

S

A

I

A

G
|
G

G

G

H

H

V
x
S

L

L

H

H

M

V

C

C

D

D

L

L

T

T

I

L

A

A

A

S

-

R

E

E

N

Y

A

A

I

R

F

F

G

K

Q

Q

T
|
T

G
x
D

P

A

K

D

V

V

G

G

S
|
S

F

F

D
|
D

G
|
G

G

G

W

Y

G

G

A

S

S

A

Y

Y

M

L

A

A

R

R

I

Q

V

V

G

G

Q

Q

K

K

K

F

A

A

R

R

E

E

I

I

W

F

F

F

L

L

C

G

R

R

Q

T

Y

Y

D

T

A

A

Q

E

Q

Q

A

M

L

H

D

Q

M

M

G

G

L

A

V

V

N

N

T

A

V

V

V

A

P

E

L

H

A

A

D

E

L

L

E

E

K

T

E

V

T

G

V

L

R

Q

W

W

C

A

R

A

E

E

M

I

L

N

Q

A

N

K

S

S

P

P

M

Q

A

A

L

Q

R

R

C

M

L

L

K

K

A

F

A

A

L

F

N

N

A

L

D

L

C

D

D

D

G

G

Q

L

A

V

G

G

L

Q

Q

Q

E

L

L

F

A
|
A

G

G

N

E

A

A

T

T

M

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

N

D

A

A

F

F

N

L

Q

Q

K

K

R

R

Q

P

P

P

D

D

F

W

S

S

K

P

F

F

K

P

R

R

active site: G88 (= G86), H92 (≠ N107), G118 (= G133), S121 (≠ V136), D142 (≠ G156), S147 (= S161), D149 (= D163), G150 (= G164), A236 (= A250), Y244 (= Y258)
binding acetoacetyl-coenzyme a: V40 (= V44), R41 (= R45), K78 (vs. gap), S86 (≠ A84), G88 (= G86), D89 (= D87), Q90 (= Q88), W114 (≠ Y129), G117 (= G132), G118 (= G133), T141 (= T155)

1rjnB The crystal structure of menb (rv0548c) from mycobacterium tuberculosis in complex with the coa portion of naphthoyl coa (see paper)
47% identity, 94% coverage: 17:283/285 of query aligns to 16:273/275 of 1rjnB

query
sites
1rjnB

D

D

C

G

S

F

E

D

G

D

Y

L

T

T

D

D

I

I

R

T

Y

Y

Q

H

K

R

S

H

A

V

D

D

-

D

G

A

I

T

A

V

K

R

I

V

T

A

I

F

N

N

R

R

P

P

Q

E

V
|
V

R
|
R

N

N

A

A

F

F

R

R

P

P

L

H

T

T

V

V

K

D

E

E

M

L

I

Y

Q

R

A

V

L

L

A

D

D

H

A

A

R

R

Y

M

D

S

D

P

N

D

I

V

G

G

V

V

I

V

V

L

L

L

T

T

G

G

E

N

G

G

D

P

K

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

-

R

-

G

-

D

-

Y

-

G

-

Y

-

Q

-

D

-

S

-

G

-

V

-

H

-

L

-

N
x
H

V

I

L

L

D

E

F

V

Q

Q

R

R

Q

L

I

I

R

R

T

F

C

M

P

P

K

K

P

V

V

V

L

I

A

C

M

L

V

V

A

N

G

G

Y
x
W

S

A

I

A

G

G

G
|
G

G

G

H

H

V
x
S

L

L

H

H

M

V

C

C

D

D

L

L

T

T

I

L

A

A

A

S

-

R

E

E

N

Y

A

A

I

R

F

F

G

K

Q

Q

T

T

G
x
D

P

A

K

D

V

V

G

G

S
|
S

F

F

D
|
D

G
|
G

G

G

W

Y

G

G

A

S

S

A

Y

Y

M

L

A

A

R
|
R

I
x
Q

V
|
V

G

G

Q

Q

K

K

K

F

A

A

R

R

E

E

I

I

W

F

F

F

L

L

C

G

R

R

Q

T

Y

Y

D

T

A

A

Q

E

Q

Q

A

M

L

H

D

Q

M
|
M

G

G

L

A

V

V

N

N

T

A

V

V

V

A

P

E

L

H

A

A

D

E

L

L

E

E

K

T

E

V

T

G

V

L

R

Q

W

W

C

A

R

A

E

E

M

I

L

N

Q

A

N

K

S

S

P

P

M

Q

A

A

L

Q

R

R

C

M

L

L

K

K

A

F

A

A

L

F

N

N

A

L

D

L

C

D

D

D

G

G

Q

L

A

V

G

G

L

Q

Q

Q

E

L

L

F

A
|
A

G

G

N

E

A

A

T

T

M

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

N

D

A

A

F

F

N

L

Q

Q

K

K

R

R

Q

P

P

P

D

D

F

W

S

S

K

P

F

F

K

P

R

R

active site: G92 (= G86), H96 (≠ N107), G122 (= G133), S125 (≠ V136), D146 (≠ G156), S151 (= S161), D153 (= D163), G154 (= G164), A240 (= A250)
binding coenzyme a: V44 (= V44), R45 (= R45), K82 (vs. gap), S90 (≠ A84), G92 (= G86), D93 (= D87), Q94 (= Q88), W118 (≠ Y129)
binding 3-[4-(2-hydroxyethyl)piperazin-1-yl]propane-1-sulfonic acid: R163 (= R173), Q164 (≠ I174), V165 (= V175), M188 (= M198)

3t8aB Crystal structure of mycobacterium tuberculosis menb in complex with substrate analogue, osb-ncoa (see paper)
47% identity, 94% coverage: 17:283/285 of query aligns to 15:272/274 of 3t8aB

query
sites
3t8aB

D

D

C

G

S

F

E

D

G

D

Y

L

T

T

D

D

I

I

R

T

Y

Y

Q

H

K

R

S

H

A

V

D

D

-

D

G

A

I

T

A

V

K

R

I

V

T

A

I

F

N

N

R

R

P

P

Q

E

V
|
V

R
|
R

N

N

A

A

F

F

R

R

P

P

L

H

T

T

V

V

K

D

E

E

M

L

I

Y

Q

R

A

V

L

L

A

D

D

H

A

A

R

R

Y

M

D

S

D

P

N

D

I

V

G

G

V

V

I

V

V

L

L

L

T

T

G

G

E

N

G

G

D

P

K

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

-

R

-

G

-

D

-

Y

-

G

-

Y

-

Q

-

D

-

S

-

G

-

V

-

H

-

H

R

L

L

N
x
H

V

I

L

L

D

E

F

V

Q

Q

R

R

Q

L

I

I

R

R

T

F

C

M

P

P

K

K

P

V

V

V

L

I

A

C

M

L

V

V

A

N

G

G

Y
x
W

S

A

I

A

G

G

G
|
G

G

G

H

H

V
x
S

L

L

H

H

M

V

C

C

D

D

L

L

T

T

I

L

A

A

A

S

-

R

E

E

N

Y

A

A

I

R

F

F

G

K

Q

Q

T

T

G
x
D

P

A

K

D

V

V

G

G

S
|
S

F

F

D
|
D

G
|
G

G

G

W

Y

G

G

A

S

S

A

Y

Y

M

L

A

A

R

R

I

Q

V

V

G

G

Q

Q

K

K

K

F

A

A

R

R

E

E

I

I

W

F

F

F

L

L

C

G

R

R

Q

T

Y

Y

D

T

A

A

Q

E

Q

Q

A

M

L

H

D

Q

M

M

G

G

L

A

V

V

N

N

T

A

V

V

V

A

P

E

L

H

A

A

D

E

L

L

E

E

K

T

E

V

T

G

V

L

R

Q

W

W

C

A

R

A

E

E

M

I

L

N

Q

A

N

K

S

S

P

P

M

Q

A

A

L

Q

R

R

C

M

L

L

K

K

A

F

A

A

L

F

N

N

A

L

D

L

C

D

D

D

G

G

Q

L

A

V

G

G

L

Q

Q

Q

E

L

L

F

A
|
A

G

G

N

E

A

A

T

T

M

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

N

D

A

A

F

F

N

-

Q

-

K

L

R

R

Q

P

P

P

D

D

F

W

S

S

K

P

F

F

K

P

R

R

active site: G91 (= G86), H97 (≠ N107), G123 (= G133), S126 (≠ V136), D147 (≠ G156), S152 (= S161), D154 (= D163), G155 (= G164), A241 (= A250), Y249 (= Y258)
binding o-succinylbenzoyl-N-coenzyme A: V43 (= V44), R44 (= R45), K81 (vs. gap), S89 (≠ A84), G91 (= G86), D92 (= D87), Q93 (= Q88), W119 (≠ Y129)

Query Sequence

>BWI76_RS20065 BWI76_RS20065 1,4-dihydroxy-2-naphthoyl-CoA synthase
MISLDEAMLYAPIEWQDCSEGYTDIRYQKSADGIAKITINRPQVRNAFRPLTVKEMIQAL
ADARYDDNIGVIVLTGEGDKAFCAGGDQKVRGDYGGYQDDSGVHHLNVLDFQRQIRTCPK
PVLAMVAGYSIGGGHVLHMMCDLTIAAENAIFGQTGPKVGSFDGGWGASYMARIVGQKKA
REIWFLCRQYDAQQALDMGLVNTVVPLADLEKETVRWCREMLQNSPMALRCLKAALNADC
DGQAGLQELAGNATMLFYMTEEGQEGRNAFNQKRQPDFSKFKRNP

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