SitesBLAST

R45 (≠ Y62) binding in other chain
SGGDQK 84:89 (≠ TGGNTK 101:106) binding in other chain
K89 (= K106) mutation to A: Strongly decreases affinity for substrate and DHNA-CoA synthase activity.
R91 (≠ Y108) mutation to A: Loss of DHNA-CoA synthase activity.
Y97 (≠ G114) binding in other chain; mutation to F: Loss of DHNA-CoA synthase activity.
YSIGG 129:133 (≠ MRIGG 147:151) binding in other chain
Q154 (= Q172) 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 (≠ QAG 172:174) binding
T155 (≠ A173) binding in other chain
G156 (= G174) mutation to D: Loss of DHNA-CoA synthase activity.
S161 (= S179) binding in other chain
W184 (≠ G202) mutation to F: Reduces the specific DHNA-CoA synthase activity by 530-fold, whereas its affinity for hydrogencarbonate is reduced by 20-fold.

Sites not aligning to the query:

258 binding
267 R→A: Strongly decreases affinity for substrate and DHNA-CoA synthase activity.
270 F→A: Strongly decreases affinity for substrate and DHNA-CoA synthase activity.
273 binding ; K→A: Impairs protein folding.

2uzfA Crystal structure of staphylococcus aureus 1,4-dihydroxy-2-naphthoyl coa synthase (menb) in complex with acetoacetyl coa (see paper)
32% identity, 48% coverage: 52:233/377 of query aligns to 19:190/260 of 2uzfA

query
sites
2uzfA

A

A

W

K

I

V

T

T

L

I

D

N

N

R

Q

P

K

E

Q
x
V

Y
x
R

N

N

S

A

Y

F

T

T

T

P

D

K

M

T

V

V

K

A

G

E

V

M

I

I

M

D

A

A

F

F

R

S

D

R

A

A

S

R

N

D

A

D

R

Q

D

N

V

V

S

S

S

V

V

I

V

V

F

L

T

T

G

G

A

E

G

G

D

D

K

L

A

A

F

F

C

C

T
x
S

G
|
G

N
x
D

T

Q

K

K

E

G

Y

E

A

D

E

Q

Y

I

Y

P

A
x
R

G

L

N

N

P

V

Q
x
L

E

D

Y

L

R

Q

Q

R

Y

L

M

I

R

R

L

I

F

I

N

P

D

-

M

-

V

-

S

-

A

-

I

-

L

-

G

-

C

-

D

-

K

K

P

P

V

V

I

I

C

A

R

M

V

V

N

K

G

G

M
x
Y

R

A

I

V

G

G

G
|
G

G

G

Q

N

E
x
V

I

L

G

N

M

V

A

V

A

C

D

D

F

L

S

T

V

I

A

A

Q

A

D

D

L

N

A

A

K

I

F

F

G

G

Q

Q

A
x
T

G
|
G

P

P

K

K

H

V

G

G

S
|
S

A

F

P
x
D

I
x
A

G

G

G

Y

A

G

T

S

D

G

F

Y

L

L

P

A

V

R

M

I

I

V

G

G

C

H

E

K

Q

K

A

A

M

R

V

E

S

I

G

W

S

Y

L

L

C

C

E

R

P

Q

W

Y

S

N

A

A

H

Q

K

E

A

A

Y

L

R

D

T

M

G

G

I

L

I

V

M

N

D

T

L

V

V

V

P

P

A

L

L

E

K

K

V

V

D

E

G

D

K

E

F

T

V

V

active site: G70 (= G103), R80 (≠ A113), L84 (≠ Q117), G108 (= G151), V111 (≠ E154), T130 (≠ A173), G131 (= G174), S136 (= S179), D138 (≠ P181), A139 (≠ I182)
binding acetoacetyl-coenzyme a: V28 (≠ Q61), R29 (≠ Y62), S68 (≠ T101), G69 (= G102), G70 (= G103), D71 (≠ N104), Y104 (≠ M147), G108 (= G151)

Sites not aligning to the query:

active site: 225, 233

Q7CQ56 1,4-dihydroxy-2-naphthoyl-CoA synthase; DHNA-CoA synthase; EC 4.1.3.36 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
33% identity, 46% coverage: 52:224/377 of query aligns to 35:206/285 of Q7CQ56

query
sites
Q7CQ56

A

A

W

K

I

I

T

T

L

I

D

N

N

R

Q

P

K

Q

Q

V

Y

R

N

N

S

A

Y

F

T

R

T

P

D

L

M

T

V

V

K

K

G

E

V

M

I

I

M

Q

A

A

F

L

R

A

D

D

A

A

S

R

N

Y

A

D

R

D

D

N

V

V

S

G

S

V

V

I

F

L

T

T

G

G

A

E

G

G

D

D

K

K

A

A

F

F

C

C

T

A

G

G

N

D

T

Q

K

K

E

V

Y

R

A

G

E

D

Y

Y

Y

G

A

G

G

Y

N

Q

P

D

Q

D

E

S

Y

G

R

V

Q

H

Y

H

M

L

R

N

L

V

F

L

N

-

D

D

M

F

V

Q

S

R

A

Q

I

I

L

R

G

T

C

C

D

P

K

K

P

P

V

V

I

V

C

A

R

M

V

V

N

A

G

G

M

Y

R

S

I

I

G

G

Q

H

E

V

I

L

G

H

M

M

A

M

A

C

D

D

F

L

S

T

V

I

A

A

Q

A

D

E

L

N

A

A

K

I

F

F

G

G

Q
|
Q

A
x
T

G
|
G

P

P

K

K

H

V

G

G

S

S

A

F

P

D

I

G

G

G

G

W

A

G

T

A

D

S

F

Y

L

M

P

A

V

R

M

I

I

V

G

G

C

Q

E

K

Q

K

A

A

M

R

V

E

S

I

G

W

S

F

L

L

C

C

E

R

P

Q

W

Y

S

D

A

A

H

Q

K

Q

A

A

Y

L

R

D

T

M

G

G

I

L

I

V

M

N

D

T

L

V

V

V

P

P

QTG 154:156 (≠ QAG 172:174) binding

4elxA Structure of apo e.Coli. 1,4-dihydroxy-2- naphthoyl coa synthases with cl (see paper)
33% identity, 46% coverage: 52:224/377 of query aligns to 32:189/268 of 4elxA

query
sites
4elxA

A

A

W

K

I

I

T

T

L

I

D

N

N

R

Q

P

K

Q

Q

V

Y

R

N

N

S

A

Y

F

T

R

T

P

D

L

M

T

V

V

K

K

G

E

V

M

I

I

M

Q

A

A

F

L

R

A

D

D

A

A

S

R

N

Y

A

D

R

D

D

N

V

I

S

G

S

V

V

I

F

L

T

T

G

G

A

A

G

G

D

D

K

K

A

A

F

F

C

C

T

S

G

G

G
|
G

N

D

T

Q

K

K

E

H

Y
x
H

A

L

E

-

Y

-

A

-

G

-

N

N

P

V

Q
x
L

E

D

Y

F

R

Q

Q

R

Y

Q

M

I

R

R

L

T

F

-

N

-

D

-

M

-

V

-

S

-

A

-

I

-

L

-

G

-

C

C

D

P

K

K

P

P

V

V

I

V

C

A

R

M

V

V

N

A

G

G

M

Y

R

S

I

I

G
|
G

G

G

Q

H

E
x
V

I

L

G

H

M

M

A

M

A

C

D

D

F

L

S

T

V

I

A

A

Q

A

D

D

L

N

A

A

K

I

F

F

G

G

Q

Q

A

T

G
|
G

P

P

K

K

H

V

G

G

S
|
S

A

F

P
x
D

I
x
G

G

G

G

W

A

G

T

A

D

S

F

Y

L

M

P

A

V

R

M

I

I

V

G

G

C

Q

E

K

Q

K

A

A

M

R

V

E

S

I

G
x
W

S

F

L

L

C

C

E

R

P

Q

W

Y

S

D

A

A

H

K

K

Q

A

A

Y

L

R

D

T

M

G

G

I

L

I

V

M

N

D

T

L

V

V

V

P

P

active site: G83 (= G103), H88 (≠ Y108), L92 (≠ Q117), G116 (= G151), V119 (≠ E154), G139 (= G174), S144 (= S179), D146 (≠ P181), G147 (≠ I182)
binding chloride ion: G115 (= G150), G139 (= G174), W167 (≠ G202)

Sites not aligning to the query:

active site: 233, 241

4elwA Structure of e. Coli. 1,4-dihydroxy-2- naphthoyl coenzyme a synthases (menb) in complex with nitrate (see paper)
33% identity, 46% coverage: 52:224/377 of query aligns to 32:188/267 of 4elwA

query
sites
4elwA

A

A

W

K

I

I

T

T

L

I

D

N

N

R

Q

P

K

Q

Q

V

Y

R

N

N

S

A

Y

F

T

R

T

P

D

L

M

T

V

V

K

K

G

E

V

M

I

I

M

Q

A

A

F

L

R

A

D

D

A

A

S

R

N

Y

A

D

R

D

D

N

V

I

S

G

S

V

V

I

F

L

T

T

G

G

A

A

G

G

D

D

K

K

A

A

F

F

C

C

T

S

G

G

G
|
G

N

D

T

Q

K

K

E

H

Y

L

A

-

E

-

Y

-

A

-

G

-

N

N

P

V

Q
x
L

E

D

Y

F

R

Q

Q

R

Y

Q

M

I

R

R

L

T

F

-

N

-

D

-

M

-

V

-

S

-

A

-

I

-

L

-

G

-

C

C

D

P

K

K

P

P

V

V

I

V

C

A

R

M

V

V

N

A

G

G

M

Y

R

S

I

I

G
|
G

G

G

Q

H

E
x
V

I

L

G

H

M

M

A

M

A

C

D

D

F

L

S

T

V

I

A

A

Q

A

D

D

L

N

A

A

K

I

F

F

G

G

Q

Q

A
x
T

G
|
G

P

P

K

K

H

V

G

G

S
|
S

A
x
F

P
x
D

I
x
G

G

G

G

W

A

G

T

A

D

S

F

Y

L

M

P

A

V

R

M

I

I

V

G

G

C

Q

E

K

Q

K

A

A

M

R

V

E

S

I

G
x
W

S

F

L

L

C

C

E

R

P

Q

W

Y

S

D

A

A

H

K

K

Q

A

A

Y

L

R

D

T

M

G

G

I

L

I

V

M

N

D

T

L

V

V

V

P

P

active site: G83 (= G103), L91 (≠ Q117), G115 (= G151), V118 (≠ E154), G138 (= G174), S143 (= S179), D145 (≠ P181), G146 (≠ I182)
binding nitrate ion: G114 (= G150), T137 (≠ A173), G138 (= G174), F144 (≠ A180), W166 (≠ G202)

Sites not aligning to the query:

active site: 232, 240

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)
31% identity, 51% coverage: 31:224/377 of query aligns to 77:258/337 of Q8GYN9

query
sites
Q8GYN9

V

I

L

I

Y

Y

E

E

K

K

R

-

P

-

A

-

K

-

R

-

A

-

D

-

G

-

T

A

V

L

A

D

E

E

G

G

L

I

Y

-

N

-

A

A

W

K

I

I

T

T

L

I

D

N

N

R

Q

P

K

E

Q

R

Y

R

N

N

S

A

Y

F

T

R

T

P

D

Q

M

T

V

V

K

K

G

E

V

L

I

M

M

R

A

A

F

F

R

N

D

D

A

A

S

R

N

D

A

D

R

S

D

S

V

V

S

G

S

V

V

I

F

L

T

T

G

G

A

K

G

G

D

T

K

K

A

A

F

F

C

C

T

S

G

G

N

D

T

Q

K

A

E

L

Y

R

A

T

E

Q

Y

D

Y

G

A

Y

G

A

N

D

P

P

Q

N

E

D

Y

V

R

G

Q

R

Y

L

M

N

R

V

L

L

F

-

N

-

D

D

M

L

V

Q

S

V

A

Q

I

I

L

R

G

R

C

L

D

P

K

K

P

P

V

V

I

I

C

A

R

M

V

V

N

A

G

G

M

Y

R

A

I

V

G

G

Q

H

E

I

I

L

G

H

M

M

A

V

A

C

D

D

F

L

S

T

V

I

A

A

Q

A

D

D

L

N

A

A

K

I

F

F

G

G

Q

Q

A

T

G

G

P

P

K

K

H

V

G

G

S

S

A

F

P

D

I

A

G

G

G

Y

A

G

T

S

D

S

F

I

L

M

P

S

V

R

M

L

I

V

G

G

C

P

E

K

Q

K

A

A

M

R

V

E

S

M

G

W

S

F

L

M

C

T

E

R

P

F

W

Y

S

T

A

A

H

S

K

E

A

A

Y

E

R

K

T

M

G

G

I

L

I

I

M

N

D

T

L

V

V

V

P

P

Sites not aligning to the query:

20 H→V: Loss of peroxisomal targeting.

3h02A 2.15 angstrom resolution crystal structure of naphthoate synthase from salmonella typhimurium.
32% identity, 46% coverage: 52:224/377 of query aligns to 31:187/266 of 3h02A

query
sites
3h02A

A

A

W

K

I

I

T

T

L

I

D

N

N

R

Q

P

K

Q

Q

V

Y

R

N

N

S

A

Y

F

T

R

T

P

D

L

M

T

V

V

K

K

G

E

V

M

I

I

M

Q

A

A

F

L

R

A

D

D

A

A

S

R

N

Y

A

D

R

D

D

N

V

V

S

G

S

V

V

I

F

L

T

T

G

G

A

E

G

G

D

D

K

K

A

A

F

F

C

C

T

A

G

G

G
|
G

N

D

T

-

K

-

E

-

Y

-

A

-

E

-

Y

-

A

-

G

-

N

-

P

-

Q

-

E

-

Y

-

R

-

Q

Q

Y

H

M
x
H

R

L

L

N

F

V

N
x
L

D

D

M

F

V

Q

S

R

A

Q

I

I

L

R

G

T

C

C

D

P

K

K

P

P

V

V

I

V

C

A

R

M

V

V

N

A

G

G

M

Y

R

S

I

I

G
|
G

G

G

Q

H

E
x
V

I

L

G

H

M

M

A

M

A

C

D

D

F

L

S

T

V

I

A

A

Q

A

D

E

L

N

A

A

K

I

F

F

G

G

Q
|
Q

A

T

G
|
G

P

P

K

K

H

V

G

G

S
|
S

A

F

P
x
D

I
x
G

G

G

G

W

A

G

T

A

D

S

F

Y

L

M

P

A

V

R

M

I

I

V

G

G

C

Q

E

K

Q

K

A

A

M

R

V

E

S

I

G
x
W

S

F

L

L

C

C

E

R

P

Q

W

Y

S

D

A

A

H

Q

K

Q

A

A

Y

L

R

D

T

M

G

G

I

L

I

V

M

N

D

T

L

V

V

V

P

P

active site: G82 (= G103), H86 (≠ M123), L90 (≠ N127), G114 (= G151), V117 (≠ E154), G137 (= G174), S142 (= S179), D144 (≠ P181), G145 (≠ I182)
binding bicarbonate ion: G113 (= G150), Q135 (= Q172), G137 (= G174), W165 (≠ G202)

Sites not aligning to the query:

active site: 231, 239

5jbxB Crystal structure of liuc in complex with coenzyme a and malonic acid (see paper)
33% identity, 47% coverage: 46:224/377 of query aligns to 11:185/261 of 5jbxB

query
sites
5jbxB

A

A

E

R

G

G

L

P

Y

I

N

E

A

I

W

W

I

-

T

T

L

I

D

D

N

G

Q

E

K
x
S

Q
x
R

Y
x
R

N

N

S
x
A

Y

I

T

S

T

R

D

A

M

M

V

L

K

K

G

E

V

L

I

G

M

E

A

L

F

V

R

T

D

R

A

V

S

S

N

S

A

S

R

R

D

D

V

V

S

R

S

A

V

V

F

I

T

T

G

G

A

A

G

G

D

D

K

K

A

A

F

F

C

C

T
x
A

G

G

G
x
A

N
x
D

T
x
L

K
|
K

E

E

Y
x
R

A

A

E

T

Y

M

Y

A

A

-

G

-

N

-

P

E

Q

D

E

E

Y

V

R

R

Q

A

Y

F

M
x
L

R

D

L

G

F

L

N
x
R

D

R

M

T

V

F

S

R

A

A

I

I

L

E

G

K

C

S

D

D

K

C

P

V

V

F

I

I

C

A

R

A

V

I

N

N

G

G

M

A

R

A

I
x
L

G
|
G

G

G

Q

T

E
|
E

I

L

G

A

M

L

A

A

A

C

D

D

F

L

S

R

V

V

A

A

Q

A

D

P

L

A

A

A

K

E

F

L

G

G

Q

L

A
x
T

G
x
E

P

V

K

K

H
x
L

G

G

S
x
I

A

I

P
|
P

I
x
G

G

G

A

G

T

T

D

Q

F

R

L

L

P

A

V

R

M

L

I

V

G

G

C

P

E

G

Q

R

A

A

M

K

V

D

S

L

G

I

S

L

L

T

C

A

E

R

P
x
R

W

I

S

N

A

A

H

A

K

E

A

A

Y

F

R

S

T

V

G

G

I

L

I

A

M

N

D

R

L

L

V

A

P

P

active site: A67 (≠ G103), R72 (≠ Y108), L84 (≠ M123), R88 (≠ N127), G112 (= G151), E115 (= E154), T134 (≠ A173), E135 (≠ G174), I140 (≠ S179), P142 (= P181), G143 (≠ I182)
binding coenzyme a: S24 (≠ K60), R25 (≠ Q61), R26 (≠ Y62), A28 (≠ S64), A65 (≠ T101), D68 (≠ N104), L69 (≠ T105), K70 (= K106), L110 (≠ I149), G111 (= G150), T134 (≠ A173), E135 (≠ G174), L138 (≠ H177), R168 (≠ P207)

Sites not aligning to the query:

active site: 228, 238

6slbAAA Enoyl-CoA hydratase/carnithine racemase (see paper)
27% identity, 50% coverage: 39:228/377 of query aligns to 8:185/257 of 6slbAAA

query
sites
6slbAAA

K

E

R

R

A

Q

D

D

G

G

T

V

V

L

A

V

E

-

G

-

L

-

Y

-

N

-

A

-

W

-

I

L

T

T

L

L

D

N

N

R

Q

P

K

E

Q

K

Y

L

N

N

S

A

Y

I

T

T

T

G

D

E

M

L

V

L

K

D

G

A

V

L

I

Y

M

A

A

A

F

L

R

K

D

E

A

G

S

E

N

E

A

D

R

R

D

E

V

V

S

R

S

A

V

L

F

L

T

T

G

G

A

A

G

G

D

-

K
x
R

A

A

F

F

C

S

T
x
A

G

G

G
x
Q

N
x
D

T
x
L

K

T

E

E

Y
x
F

A

G

E

D

Y

-

A

-

G

-

N

R

P

K

Q

P

E

D

Y
|
Y

R

E

Q

A

Y

H

M
x
L

R

R

L

R

F

Y

N
|
N

D

R

M

V

V

V

S

E

A

A

I

L

L

S

G

G

C

L

D

E

K

K

P

P

V

L

I

V

C

V

R

A

V

V

N

N

G

G

M

V

R

A

I

A

G

G

G
x
A

G

G

Q

M

E
x
S

I

L

G

A

M

L

A

W

A

G

D

D

F

L

S

R

V

L

A

A

Q

A

D

V

L

G

A

A

K

S

F

F

G

T

Q

T

A
|
A

G
x
F

P

V

K

R

H

I

G

G

S
x
L

A

V

P
|
P

I
x
D

G

S

G

G

A

L

T

S

D

F

F

L

L

L

P

P

V

R

M

L

I

V

G

G

C

L

E

A

Q

K

A

A

M

Q

V

E

S

L

G

L

S

L

L

L

C

S

E

P

P

R

W

L

S

S

A

A

H

E

K

E

A

A

Y

L

R

A

T

L

G

G

I

L

I

V

M

H

D

R

L

V

V

V

P

P

A

A

L

E

K

K

V

L

active site: Q64 (≠ G103), F69 (≠ Y108), L80 (≠ M123), N84 (= N127), A108 (≠ G151), S111 (≠ E154), A130 (= A173), F131 (≠ G174), L136 (≠ S179), P138 (= P181), D139 (≠ I182)
binding (~{E})-6-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethylsulfanyl]-6-oxidanylidene-hex-3-enoic acid: R58 (≠ K97), A62 (≠ T101), Q64 (≠ G103), D65 (≠ N104), L66 (≠ T105), Y76 (= Y119), A108 (≠ G151), F131 (≠ G174), D139 (≠ I182)

Sites not aligning to the query:

active site: 224, 234

6slaAAA Enoyl-CoA hydratase/carnithine racemase (see paper)
27% identity, 50% coverage: 39:228/377 of query aligns to 5:173/245 of 6slaAAA

query
sites
6slaAAA

K

E

R

R

A

Q

D

D

G

G

T

V

V

L

A

V

E

-

G

-

L

-

Y

-

N

-

A

-

W

-

I

L

T

T

L

L

D

N

N

R

Q

P

K

E

Q

K

Y
x
L

N

N

S

A

Y

I

T

T

T

G

D

E

M

L

V

L

K

D

G

A

V

L

I

Y

M

A

A

A

F

L

R

K

D

E

A

G

S

E

N

E

A

D

R

R

D

E

V

V

S

R

S

A

V

L

F

L

T

T

G

G

A

A

G

G

D

-

K

R

A

A

F

F

C

S

T
x
A

G

G

G
x
Q

N
x
D

T
x
L

K

T

E

E

Y

-

A

-

E

-

Y

-

A

-

G

-

N

-

P

-

Q

-

E

-

Y

-

R

-

Q

A

Y

H

M
x
L

R

R

L

R

F
x
Y

N
|
N

D

R

M

V

V

V

S

E

A

A

I

L

L

S

G

G

C

L

D

E

K

K

P

P

V

L

I

V

C

V

R

A

V

V

N

N

G

G

M

V

R

A

I
x
A

G
|
G

G
x
A

G

G

Q

M

E
x
S

I

L

G

A

M

L

A

W

A

G

D

D

F

L

S

R

V

L

A

A

Q

A

D

V

L

G

A

A

K

S

F

F

G

T

Q

T

A
|
A

G
x
F

P

V

K

R

H
x
I

G

G

S
x
L

A

V

P
|
P

I
x
N

G

S

G

G

A

L

T

S

D

F

F

L

L

L

P

P

V

R

M

L

I

V

G

G

C

L

E

A

Q

K

A

A

M

Q

V

E

S

L

G

L

S

L

L

L

C

S

E

P

P

R

W

L

S

S

A

A

H

E

K

E

A

A

Y

L

R

A

T

L

G

G

I

L

I

V

M

H

D

R

L

V

V

V

P

P

A

A

L

E

K

K

V

L

active site: Q61 (≠ G103), L68 (≠ M123), N72 (= N127), A96 (≠ G151), S99 (≠ E154), A118 (= A173), F119 (≠ G174), L124 (≠ S179), P126 (= P181), N127 (≠ I182)
binding ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]ethyl] 2-(2,5-dihydrooxepin-7-yl)ethanethioate: L21 (≠ Y62), A59 (≠ T101), Q61 (≠ G103), D62 (≠ N104), L63 (≠ T105), L68 (≠ M123), Y71 (≠ F126), A94 (≠ I149), G95 (= G150), A96 (≠ G151), F119 (≠ G174), I122 (≠ H177), L124 (≠ S179), N127 (≠ I182)

Sites not aligning to the query:

4i52A Scmenb im complex with 1-hydroxy-2-naphthoyl-coa (see paper)
31% identity, 47% coverage: 52:229/377 of query aligns to 21:201/275 of 4i52A

query
sites
4i52A

A

A

W

K

I

I

T

V

L

I

D

N

N

R

Q

P

K
x
H

Q
x
K

Y
x
R

N

N

S
x
A

Y

F

T

R

T

P

D

Q

M

T

V

V

K

F

G

E

V

L

I

Y

M

D

A

A

F

F

R

C

D

N

A

A

S

R

N

E

A

D

R

N

D

R

V

I

S

G

S

V

V

V

V

L

F

L

T

T

G

G

A

A

G

G

D

P

K

H

-

S

-

D

-

G

-

K

-

Y

A

A

F

F

C

C

T
x
S

G
|
G

N
x
D

T
x
Q

K

S

E

V

Y
x
R

A

G

E

E

Y

-

A

-

G

G

N

G

P
x
Y

Q

I

E

D

Y

D

R

Q

Q

G

Y

T

M

P

R
|
R

L
|
L

-

N

F
x
V

N
x
L

D

D

M

L

V

Q

S

R

A

L

I

I

L

R

G

S

C

M

D

P

K

K

P

V

V

V

I

I

C

A

R

L

V

V

N

A

G

G

M
x
Y

R

A

I
|
I

G

G

G
|
G

G

G

Q

H

E
x
V

I

L

G

H

M

L

A

V

A

C

D

D

F

L

S

T

V

I

A

A

Q

A

D

D

L

N

A

A

K

I

F

F

G

G

Q

Q

A
x
T

G
|
G

P

P

K

K

H
x
V

G

G

S
|
S

A
x
F

P
x
D

I
x
G

G

G

G

F

A

G

T

S

D

S

F

Y

L

L

P

A

V

R

M

I

I

V

G

G

C

Q

E

K

Q

K

A

A

M

R

V

E

S

I

G

W

S

Y

L

L

C

C

E

R

P

Q

W

Y

S

S

A

A

H

Q

K

E

A

A

Y

E

R

R

T

M

G

G

I

M

I

V

M

N

D

T

L

V

V

V

P

P

A

V

L

D

K

R

V

L

D

E

active site: G77 (= G103), R82 (≠ Y108), Y87 (≠ P116), R95 (= R124), L99 (≠ N127), G123 (= G151), V126 (≠ E154), G146 (= G174), S151 (= S179), D153 (≠ P181), G154 (≠ I182)
binding 1-hydroxy-2-naphthoyl-CoA: H29 (≠ K60), K30 (≠ Q61), R31 (≠ Y62), A33 (≠ S64), S75 (≠ T101), G76 (= G102), G77 (= G103), D78 (≠ N104), Q79 (≠ T105), L96 (= L125), V98 (≠ F126), Y119 (≠ M147), I121 (= I149), G123 (= G151), T145 (≠ A173), V149 (≠ H177), S151 (= S179), F152 (≠ A180)

Sites not aligning to the query:

active site: 240, 248

4i4zA Synechocystis sp. Pcc 6803 1,4-dihydroxy-2-naphthoyl-coenzyme a synthase (menb) in complex with salicylyl-coa (see paper)
31% identity, 47% coverage: 52:229/377 of query aligns to 21:201/275 of 4i4zA

query
sites
4i4zA

A

A

W

K

I

I

T

V

L

I

D

N

N

R

Q

P

K
x
H

Q
x
K

Y
x
R

N

N

S

A

Y

F

T

R

T

P

D

Q

M

T

V

V

K

F

G

E

V

L

I

Y

M

D

A

A

F

F

R

C

D

N

A

A

S

R

N

E

A

D

R

N

D

R

V

I

S

G

S

V

V

V

V

L

F

L

T

T

G

G

A

A

G

G

D

P

K

H

-

S

-

D

-

G

-

K

-

Y

A

A

F

F

C

C

T
x
S

G
|
G

N
x
D

T
x
Q

K

S

E

V

Y
x
R

A

G

E

E

Y

-

A

-

G

G

N

G

P
x
Y

Q

I

E

D

Y

D

R

Q

Q

G

Y

T

M

P

R
|
R

L

L

-

N

F
x
V

N
x
L

D

D

M

L

V

Q

S

R

A

L

I

I

L

R

G

S

C

M

D

P

K

K

P

V

V

V

I

I

C

A

R

L

V

V

N

A

G

G

M

Y

R

A

I

I

G
|
G

G

G

Q

H

E
x
V

I

L

G

H

M

L

A

V

A

C

D

D

F

L

S

T

V

I

A

A

Q

A

D

D

L

N

A

A

K

I

F

F

G

G

Q
|
Q

A
x
T

G
|
G

P

P

K

K

H
x
V

G

G

S
|
S

A

F

P
x
D

I
x
G

G

G

G

F

A

G

T

S

D

S

F

Y

L

L

P

A

V

R

M

I

I

V

G

G

C

Q

E

K

Q

K

A

A

M

R

V

E

S

I

G
x
W

S

Y

L

L

C

C

E

R

P

Q

W

Y

S

S

A

A

H

Q

K

E

A

A

Y

E

R

R

T

M

G

G

I

M

I

V

M

N

D

T

L

V

V

V

P

P

A

V

L

D

K

R

V

L

D

E

active site: G77 (= G103), R82 (≠ Y108), Y87 (≠ P116), R95 (= R124), L99 (≠ N127), G123 (= G151), V126 (≠ E154), G146 (= G174), S151 (= S179), D153 (≠ P181), G154 (≠ I182)
binding Salicylyl CoA: H29 (≠ K60), K30 (≠ Q61), R31 (≠ Y62), S75 (≠ T101), G76 (= G102), G77 (= G103), D78 (≠ N104), Q79 (≠ T105), Y87 (≠ P116), V98 (≠ F126), G123 (= G151), T145 (≠ A173), V149 (≠ H177), S151 (= S179)
binding bicarbonate ion: G122 (= G150), Q144 (= Q172), T145 (≠ A173), G146 (= G174), W174 (≠ G202)

Sites not aligning to the query:

active site: 240, 248
binding Salicylyl CoA: 260, 263

4emlA Synechocystis sp. Pcc 6803 1,4-dihydroxy-2-naphthoyl-coenzyme a synthase (menb) in complex with bicarbonate (see paper)
29% identity, 47% coverage: 52:229/377 of query aligns to 21:187/261 of 4emlA

query
sites
4emlA

A

A

W

K

I

I

T

V

L

I

D

N

N

R

Q

P

K

H

Q

K

Y

R

N

N

S

A

Y

F

T

R

T

P

D

Q

M

T

V

V

K

F

G

E

V

L

I

Y

M

D

A

A

F

F

R

C

D

N

A

A

S

R

N

E

A

D

R

N

D

R

V

I

S

G

S

V

V

V

V

L

F

L

T

T

G

G

A

A

G

G

D

P

K

H

-

S

-

D

-

G

-

K

-

Y

A

A

F

F

C

C

T

S

G

G

G
|
G

N

D

T

Q

K

S

E
x
R

Y

L

A

N

E

V

Y
x
L

Y

-

A

-

G

-

N

-

P

-

Q

-

E

-

Y

-

R

-

Q

-

Y

-

M

-

R

-

L

-

F

-

N

-

D

D

M

L

V

Q

S

R

A

L

I

I

L

R

G

S

C

M

D

P

K

K

P

V

V

V

I

I

C

A

R

L

V

V

N

A

G

G

M

Y

R

A

I

I

G
|
G

G

G

Q

H

E
x
V

I

L

G

H

M

L

A

V

A

C

D

D

F

L

S

T

V

I

A

A

Q

A

D

D

L

N

A

A

K

I

F

F

G

G

Q
|
Q

A

T

G
|
G

P

P

K

K

H

V

G

G

S
|
S

A

F

P
x
D

I
x
G

G

G

G

F

A

G

T

S

D

S

F

Y

L

L

P

A

V

R

M

I

I

V

G

G

C

Q

E

K

Q

K

A

A

M

R

V

E

S

I

G
x
W

S

Y

L

L

C

C

E

R

P

Q

W

Y

S

S

A

A

H

Q

K

E

A

A

Y

E

R

R

T

M

G

G

I

M

I

V

M

N

D

T

L

V

V

V

P

P

A

V

L
x
D

K
x
R

V

L

D
x
E

active site: G77 (= G103), R81 (≠ E107), L85 (≠ Y111), G109 (= G151), V112 (≠ E154), G132 (= G174), S137 (= S179), D139 (≠ P181), G140 (≠ I182)
binding bicarbonate ion: G108 (= G150), Q130 (= Q172), G132 (= G174), W160 (≠ G202)
binding chloride ion: D184 (≠ L226), R185 (≠ K227), E187 (≠ D229)

Sites not aligning to the query:

active site: 226, 234
binding chloride ion: 188

5zaiC Crystal structure of 3-hydroxypropionyl-coa dehydratase from metallosphaera sedula (see paper)
26% identity, 46% coverage: 53:224/377 of query aligns to 16:183/259 of 5zaiC

query
sites
5zaiC

W

W

I

I

T

T

L

L

D

N

N

R

Q

P

K

D

Q
x
K

Y
x
L

N

N

S

A

Y

L

T

N

T

A

D

K

M

L

V

L

K

E

G

E

V

L

I

D

M

R

A

A

F

V

R

S

D

Q

A

A

S

E

N

S

A

D

R

P

D

E

V

I

S

R

S

V

V

I

F

I

T

T

G

G

A

K

G

G

D

-

K

K

A

A

F

F

C

C

T
x
A

G
|
G

G
x
A

N
x
D

T
x
I

K

T

E

Q

Y
x
F

A

N

E

Q

Y

L

Y

-

A

-

G

-

N

T

P

P

Q

A

E

E

Y

A

R

W

Q

K

Y

F

M
x
S

R

K

L

K

F

G

N
x
R

D

E

M

I

V

M

S

D

A

K

I

I

L

E

G

A

C

L

D

S

K

K

P

P

V

T

I

I

C

A

R

M

V

I

N

N

G

G

M

Y

R

A

I

L

G

G

G
|
G

G

G

Q

L

E
|
E

I

L

G

A

M

L

A

A

A

C

D

D

F

I

S

R

V

I

A

A

Q

A

D

E

L

E

A

A

K

Q

F

L

G

G

Q

L

A
x
P

G
x
E

P

I

K

N

H

L

G

G

S
x
I

A

Y

P
|
P

I
x
G

G

Y

G

G

A

G

T

T

D

Q

F

R

L

L

P

T

V

R

M

V

I

I

G

G

C

K

E

G

Q

R

A

A

M

L

V

E

S

M

G

M

S

M

L

T

C

G

E

D

P
x
R

W

I

S

P

A

G

H

K

K

D

A

A

Y

E

R

K

T

Y

G

G

I

L

I

V

M

N

D

R

L

V

V

V

P

P

active site: A65 (≠ G103), F70 (≠ Y108), S82 (≠ M123), R86 (≠ N127), G110 (= G151), E113 (= E154), P132 (≠ A173), E133 (≠ G174), I138 (≠ S179), P140 (= P181), G141 (≠ I182)
binding coenzyme a: K24 (≠ Q61), L25 (≠ Y62), A63 (≠ T101), G64 (= G102), A65 (≠ G103), D66 (≠ N104), I67 (≠ T105), P132 (≠ A173), R166 (≠ P207)

Sites not aligning to the query:

active site: 226, 236
binding coenzyme a: 248, 251

6iunB Crystal structure of enoyl-coa hydratase (ech) from ralstonia eutropha h16 in complex with NAD
31% identity, 46% coverage: 52:225/377 of query aligns to 11:180/692 of 6iunB

query
sites
6iunB

A

A

W

V

I

I

T

T

L

L

D

D

N

N

-

P

-

V

Q

N

K

G

Q

L

Y

G

N

H

S

S

Y

T

T

R

T

L

D

G

M

I

V

V

K

E

G

G

V

M

I

T

M

R

A

A

F

L

R

D

D

D

A

A

S

A

N

-

A

-

R

-

D

-

V

V

S

K

S

A

V

I

V

V

F

I

T

T

G

G

A

A

G

G

D

-

K

K

A

A

F

F

C

S

T

G

G

G

G
x
A

N

D

T

I

K

R

E

E

Y
x
F

A

-

E

-

Y

-

A

-

G

N

N

T

P

P

Q

K

E

A

Y

M

R

Q

Q
x
E

Y

P

M

T

R

-

L

-

F

L

N
x
H

D

S

M

V

V

I

S

R

A

V

I

L

L

E

G

G

C

S

D

S

K

K

P

P

V

V

I

V

C

A

R

A

V

V

N

H

G

S

M

V

R

A

I

M

G

G

G
|
G

G

G

Q

L

E
|
E

I

L

G

A

M

L

A

G

A

C

D

N

F

Y

S

R

V

V

A

A

Q

S

D

K

L

G

A

A

K

Q

F

I

G

A

Q

L

A

P

G
x
E

P

V

K

K

H

L

G

G

S

L

A

L

P

P

I
x
G

G

A

G

G

A

G

T

T

D

Q

F

R

L

L

P

P

V

R

M

V

I

I

G

G

C

L

E

E

Q

A

A

A

-

A

-

N

-

M

M

I

V

V

S

S

G

G

S

T

-

P

-

V

L

L

C

S

E

E

P

K

W

F

S

A

A

G

H

T

K

K

A

L

Y

F

R

D

T

E

G

I

I

V

I

D

M

G

D

D

L

V

V

L

P

P

A

A

active site: A60 (≠ G103), F65 (≠ Y108), E73 (≠ Q121), H77 (≠ N127), G101 (= G151), E104 (= E154), E124 (≠ G174), G132 (≠ I182)

Sites not aligning to the query:

active site: 248, 407, 428, 440, 478
binding nicotinamide-adenine-dinucleotide: 300, 301, 302, 321, 322, 365, 377, 378, 380, 384, 388, 405, 407

3h81A Crystal structure of enoyl-coa hydratase from mycobacterium tuberculosis (see paper)
29% identity, 46% coverage: 54:225/377 of query aligns to 16:181/256 of 3h81A

query
sites
3h81A

I

I

T

T

L

L

D

N

N

R

Q

P

K

Q

Q

A

Y

L

N

N

S

A

Y

L

T

N

T

S

D

Q

M

V

V

M

K

N

G

E

V

V

I

T

M

S

A

A

F

A

R

T

D

E

A

L

S

D

N

D

A

D

R

P

D

D

V

I

S

G

S

A

V

I

F

I

T

T

G

G

A

S

G

A

D

-

K

K

A

A

F

F

C

A

T

A

G

G

G
x
A

N

D

T

I

K

K

E

E

Y
x
M

A

A

E

D

Y

L

Y

T

A

F

G

A

N

D

P

A

Q

-

E

-

Y

-

R

-

Q

-

Y

F

M
x
T

R

A

L

D

F

F

N
x
F

D

A

M

T

V

W

S

G

A

K

I

L

L

A

G

A

C

V

D

R

K

T

P

P

V

T

I

I

C

A

R

A

V

V

N

A

G

G

M

Y

R

A

I

L

G

G

G
|
G

G

G

Q

C

E
|
E

I

L

G

A

M

M

A

M

A

C

D

D

F

V

S

L

V

I

A

A

Q

A

D

D

L

T

A

A

K

K

F

F

G

G

Q

Q

A
x
P

G
x
E

P

I

K

K

H

L

G

G

S
x
V

A

L

P
|
P

I
x
G

G

M

G

G

A

G

T

S

D

Q

F

R

L

L

P

T

V

R

M

A

I

I

G

G

C

K

E

A

Q

K

A

A

M

M

V

D

S

L

G

I

S

L

L

T

C

G

E

R

P

T

W

M

S

D

A

A

H

A

K

E

A

A

Y

E

R

R

T

S

G

G

I

L

I

V

M

S

D

R

L

V

V

V

P

P

A

A

active site: A64 (≠ G103), M69 (≠ Y108), T79 (≠ M123), F83 (≠ N127), G107 (= G151), E110 (= E154), P129 (≠ A173), E130 (≠ G174), V135 (≠ S179), P137 (= P181), G138 (≠ I182)

Sites not aligning to the query:

active site: 223, 233
binding calcium ion: 233, 238

3q0jC Crystal structure of the mycobacterium tuberculosis crotonase in complex with the inhibitor acetoacetylcoa
29% identity, 46% coverage: 54:225/377 of query aligns to 17:182/255 of 3q0jC

query
sites
3q0jC

I

I

T

T

L

L

D

N

N

R

Q

P

K
x
Q

Q
x
A

Y
x
L

N

N

S
x
A

Y

L

T

N

T

S

D

Q

M

V

V

M

K

N

G

E

V

V

I

T

M

S

A

A

F

A

R

T

D

E

A

L

S

D

N

D

A

D

R

P

D

D

V

I

S

G

S

A

V

I

F

I

T

T

G

G

A

S

G

A

D

-

K

K

A

A

F

F

C

A

T
x
A

G
|
G

G
x
A

N
x
D

T
x
I

K
|
K

E

E

Y
x
M

A

A

E

D

Y

L

Y

T

A

F

G

A

N

D

P

A

Q

-

E

-

Y

-

R

-

Q

-

Y

F

M
x
T

R

A

L

D

F

F

N
x
F

D

A

M

T

V

W

S

G

A

K

I

L

L

A

G

A

C

V

D

R

K

T

P

P

V

T

I

I

C

A

R

A

V

V

N

A

G

G

M

Y

R

A

I

L

G
|
G

G

G

Q

C

E
|
E

I

L

G

A

M

M

A

M

A

C

D

D

F

V

S

L

V

I

A

A

Q

A

D

D

L

T

A

A

K

K

F

F

G

G

Q

Q

A
x
P

G
x
E

P

I

K

K

H

L

G

G

S
x
V

A

L

P
|
P

I
x
G

G
x
M

G

G

A

G

T

S

D

Q

F

R

L

L

P

T

V

R

M

A

I

I

G

G

C

K

E

A

Q

K

A

A

M

M

V

D

S

L

G

I

S

L

L

T

C

G

E

R

P

T

W

M

S

D

A

A

H

A

K

E

A

A

Y

E

R

R

T

S

G

G

I

L

I

V

M

S

D

R

L

V

V

V

P

P

A

A

active site: A65 (≠ G103), M70 (≠ Y108), T80 (≠ M123), F84 (≠ N127), G108 (= G151), E111 (= E154), P130 (≠ A173), E131 (≠ G174), V136 (≠ S179), P138 (= P181), G139 (≠ I182)
binding acetoacetyl-coenzyme a: Q23 (≠ K60), A24 (≠ Q61), L25 (≠ Y62), A27 (≠ S64), A63 (≠ T101), G64 (= G102), A65 (≠ G103), D66 (≠ N104), I67 (≠ T105), K68 (= K106), M70 (≠ Y108), F84 (≠ N127), G107 (= G150), G108 (= G151), E111 (= E154), P130 (≠ A173), E131 (≠ G174), P138 (= P181), G139 (≠ I182), M140 (≠ G183)

Sites not aligning to the query:

active site: 224, 234

Query Sequence

>WP_011384542.1 NCBI__GCF_000009985.1:WP_011384542.1
MKKETAAIVDSTAPAHLNDHNLVPTTVVPGVLYEKRPAKRADGTVAEGLYNAWITLDNQK
QYNSYTTDMVKGVIMAFRDASNARDVSSVVFTGAGDKAFCTGGNTKEYAEYYAGNPQEYR
QYMRLFNDMVSAILGCDKPVICRVNGMRIGGGQEIGMAADFSVAQDLAKFGQAGPKHGSA
PIGGATDFLPVMIGCEQAMVSGSLCEPWSAHKAYRTGIIMDLVPALKVDGKFVANPLVIT
DRYLDEFGKIVHGESKTGAELAAGKELLKKGTIDLSLLDAKVEEICAKILHTFPDCFTKT
IQELRKPKLNAWNANKENSRDWLGLNMMTEARTGFRAFNEGPKEDREIDFVALRQALAKG
APWTPELIESLIPKAGH

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