SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_092053351.1 NCBI__GCF_900111775.1:WP_092053351.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

Q9KNV2 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
51% identity, 100% coverage: 1:361/361 of query aligns to 1:359/361 of Q9KNV2

query
sites
Q9KNV2

M

M

E

E

S

R

L

I

T

T

V

V

G

N

L

L

G

G

E

E

R

R

S

S

Y

Y

P

P

I

I

W

S

I

I

G

G

E

A

G

G

I

L

L

F

D

A

R

N

L

-

A

-

E

P

A

A

L

L

D

L

A

S

V

L

A

S

F

A

P

K

R

Q

R

K

V

V

A

V

V

I

V

V

T

T

N
|
N

P

H

T

T

V

V

F

A

G

P

H

L

Y

Y

G

A

E

P

R

A

V

I

L

I

R

S

L

L

E

D

G

H

G

I

G

G

Y

C

R

Q

P

H

T

A

V

L

I

L

E

E

L

L

P

P

D
|
D

G
|
G

E
|
E

Q
|
Q

Y
|
Y

K
|
K

T

T

L

L

Q

E

Y

T

L

F

E

N

K

T

I

V

Y

M

D

S

S

F

L

L

T

E

G

H

G

N

F

Y

D

S

R

R

H

D

S

V

G

V

L

V

L

I

A

A

L

L

G

G

G
|
G

V
|
V

I
|
I

G
|
G

D
|
D

M

L

T

V

G

G

F

F

A

A

T

C

Y

Y

V

Q

R

R

G

G

I

V

P

D

F

F

A

I

Q

Q

I

I

P

P

T
|
T

L

L

S

S

Q

Q

V

V

D

D

S

S

V

V

G

G

K
|
K

T

T

A

A

V

V

N

N

H

H

P

P

L

L

G

G

K
|
K

N
|
N

M

M

I

I

G

G

A

A

F

F

Y

Y

Q

Q

P

P

R

K

H

A

V

V

H

V

I

I

D

D

V

T

A

D

T
x
C

L
|
L

K
x
T

T
|
T

L

L

P

P

A

A

R

R

E

E

F

F

A

A

G

G

M

M

A

A

E

E

V

V

I

I

K

K

Y

Y

G

G

V

I

I

I

R

Y

D

D

R

S

E

A

F

F

A

D

W

W

L

L

A

E

K

A

H

Q

R

M

T

E

E

A

L

L

L

Y

E

A

L

L

R

D

P

E

D

Q

A

A

L

L

I

T

Y

Y

A

A

V

I

K

A

S

R

S

C

C

C

Q

Q

I

I

K

K

A

A

D

E

V

V

E

A

E

Q

D

D

E

E

K

K

E

E

S

S

S

G

V

I

R

R

A

A

I

L

L

L

N

N

F

L

G

G

H

H

T

T

F

F

G

G

H

H

A

A

V

I

E

E

T

A

L

H

S

M

G

G

Y

Y

G

G

A

N

Y

W

S

L

H

H

G

G

E

E

A

A

V

V

A

S

I

A

G

G

M

T

G

V

V

M

A

A

E

K

L

T

S

A

R

Q

L

L

L

Q

G

G

F

L

G

I

S

D

E

A

A

S

D

Q

V

F

D

E

Q

R

I

I

R

L

S

A

L

I

M

L

S

K

G

K

F

A

D

H

L

L

P

P

L

V

D

R

P

T

P

P

A

E

H

N

-

M

S

T

L

F

D

A

A

D

Y

F

L

M

A

Q

A

H

M

M

G

M

R

R

D

D

K

K

V

V

H

L

D

A

G

G

K

E

L

L

R

R

F

L

V

V

L

L

N

P

H

T

G

S

I

I

G

G

D

T

C

S

G

A

L

V

H

V

D

K

I

-

A

G

E

V

P

P

Q

E

R

A

L

V

F

I

S

A

Q

Q

I

A

L

I

S

E

Q

Y

T

C

R

R

N41 (= N43) binding NAD(+)
DGEQYK 70:75 (= DGEQYK 72:77) binding NAD(+)
GVIGD 104:108 (= GVIGD 106:110) binding NAD(+)
TT 128:129 (= TT 130:131) binding NAD(+)
K141 (= K143) binding NAD(+)
KN 150:151 (= KN 152:153) binding NAD(+)
CLTT 168:171 (≠ TLKT 170:173) binding NAD(+)

3okfA 2.5 angstrom resolution crystal structure of 3-dehydroquinate synthase (arob) from vibrio cholerae
51% identity, 100% coverage: 1:361/361 of query aligns to 2:358/360 of 3okfA

query
sites
3okfA

M

M

E

E

S

R

L

I

T

T

V

V

G

N

L

L

G

G

E

E

R

R

S

S

Y

Y

P

P

I

I

W

S

I

I

G

G

E

A

G

G

I

L

L

F

D

A

R

N

L

-

A

-

E

P

A

A

L

L

D

L

A

S

V

L

A

S

F

A

P

K

R

Q

R

K

V

V

A

V

V

I

V

V

T

T

N
|
N

P

H

T

T

V

V

F

A

G

P

H
x
L

Y

Y

G

A

E

P

R

A

V

I

L

I

R

S

L

L

E

D

G

H

G

I

G

G

Y

C

R

Q

P

H

T

A

V

L

I

L

E

E

L

L

P

P

D
|
D

G

G

E
|
E

Q

Q

Y

Y

K
|
K

T

T

L

L

Q

E

Y

T

L

F

E

N

K

T

I

V

Y

M

D

S

S

F

L

L

T

E

G

H

G

N

F

Y

D

S

R

R

H

D

S

V

G

V

L

V

L

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

M

L

T

V

G

G

F

F

A

A

T

C

Y

Y

V

Q

R
|
R

G

G

I

V

P

D

F

F

A

I

Q

Q

I

I

P

P

T
|
T

L

L

L
|
L

S

S

Q

Q

V

V

D
|
D

S

S

V

V

G

G

K
|
K

T

T

A

A

V

V

N

N

H

H

P

P

L

L

G

G

K

K

N

N

M

M

I

I

G

G

A

A

F

F

Y

Y

Q

Q

P

P

R

K

H

A

V

V

H

V

I

I

D

D

V

T

A

D

T

C

L

L

K

T

T
|
T

L
|
L

P

P

A

A

R

R

E
|
E

F

F

A

A

G

G

M

M

A

A

E
|
E

V

V

I

I

K

K

Y

Y

G

G

V

I

I

I

R

Y

D

D

R

S

E

A

F

F

A

D

W

W

L

L

A

E

K

A

H

Q

R

M

T

E

E

A

L

L

L

Y

E

A

L

L

R

D

P

E

D

Q

A

A

L

L

I

T

Y

Y

A

A

V

I

K

A

S

R

S

C

C

C

Q

Q

I

I

K
|
K

A

A

D

E

V

V

E

A

E

Q

D

D

E

E

K

K

E

-

S

-

S

G

V

I

R
|
R

A

A

I

L

L

L

N
|
N

F

L

G

G

H
|
H

T

T

F

F

G

G

H
|
H

A

A

V

I

E

E

T

A

L

H

S

M

G

G

Y

Y

G

G

A

N

Y

W

S

L

H
|
H

G

G

E

E

A

A

V

V

A

S

I

A

G

G

M

T

G

V

V

M

A

A

E

K

L

T

S

A

R

Q

L

L

L

Q

G

G

F

L

G

I

S

D

E

A

A

S

D

Q

V

F

D

E

Q

R

I

I

R

L

S

A

L

I

M

L

S

K

G

K

F

A

D

H

L

L

P

P

L

V

D

R

P

T

P

P

A

E

H

N

-

M

S

T

L

F

D

A

A

D

Y

F

L

M

A

Q

A

H

M

M

G

M

R

R

D

D

K

K

V

V

H

L

D

A

G

G

K

E

L

L

R

R

F

L

V

V

L

L

N

P

H

T

G

S

I

I

G

G

D

T

C

S

G

A

L

V

H

V

D

K

I

-

A

G

E

V

P

P

Q

E

R

A

L

V

F

I

S

A

Q

Q

I

A

L

I

S

E

Q

Y

T

C

R

R

active site: R120 (= R121), K142 (= K143), E184 (= E185), K226 (= K227), R238 (= R241), N242 (= N245), H245 (= H248), H249 (= H252), H262 (= H265)
binding nicotinamide-adenine-dinucleotide: N42 (= N43), L48 (≠ H49), D71 (= D72), E73 (= E74), K76 (= K77), G104 (= G105), G105 (= G106), V106 (= V107), D109 (= D110), T129 (= T130), T130 (= T131), L132 (= L133), D136 (= D137), T172 (= T173), L173 (= L174), E177 (= E178)

U3KRF2 3-dehydroquinate synthase, chloroplastic; EC 4.2.3.4 from Actinidia chinensis var. chinensis (Chinese soft-hair kiwi) (see paper)
51% identity, 93% coverage: 6:341/361 of query aligns to 86:424/445 of U3KRF2

query
sites
U3KRF2

V

V

G

D

L

L

G

G

E

D

R

R

S

S

Y

Y

P

P

I

I

W

Y

I

I

G

G

E

S

G

G

I

L

L

L

D

D

R

Q

L

-

A

P

E

D

A

L

L

L

D

Q

A

R

V

H

A

V

F

H

P

G

R

K

R

R

V

V

A

L

V

V

T

T

N
|
N

P

S

T

T

V

V

F

A

G

P

H

I

Y

Y

G

L

E

D

R

K

V

V

L

V

R

G

L

A

L

L

E

T

G

N

G

G

G

N

Y

P

R

N

P

V

T

S

V

V

-

E

-

S

I

V

E

I

L

L

P

P

D
|
D

G
|
G

E
|
E

Q

K

Y

Y

K
|
K

T

N

L

M

Q

D

Y

T

L

L

E

M

K

K

I

V

Y

F

D

D

S

K

L

A

L

I

T

E

G

S

G

R

F

L

D

D

R

R

H

R

S

C

G

T

L

F

L

V

A

A

L

L

G

G

G
|
G

V
|
V

I
|
I

G
|
G

D
|
D

M

M

T

C

G

G

F

Y

A

A

T

S

Y

F

V

L

R

R

G

G

I

V

P

N

F

F

A

I

Q

Q

I

I

P

P

T
|
T

L

V

L

M

S

A

Q

Q

V

V

D

D

S

S

V

V

G

G

K
|
K

T

T

A

G

V

I

N

N

H

H

P

R

L

L

G

G

K
|
K

N

N

M

L

I

I

G

G

A

A

F

F

Y

Y

Q

Q

P

P

R

Q

H

C

V

V

H

L

I

I

D

D

V

T

A

D

T
|
T

L
|
L

K
x
N

T
|
T

L

L

P

P

A

D

R

R

E

E

F

L

A

A

A

S

G

G

M

L

A

A

E

E

V

V

I

V

K

K

Y

Y

G

G

V

L

I

I

R

R

D

D

R

A

E

N

F

F

A

E

W

W

L

Q

A

E

K

K

H

N

R

M

T

P

E

A

L

L

L

M

E

A

L

R

R

D

P

P

D

S

A

A

L

L

I

A

Y

Y

A

A

V

I

K

K

S

R

S

S

C

C

Q

E

I

N

K
|
K

A

A

D

E

V

V

E

S

E

L

D

D

E

E

K

K

E

E

S

S

S

G

V

L

R

R

A

A

I

T

L

L

N

N

F

L

G

G

H

H

T

T

F

F

G

G

H

H

A

A

V

I

E

E

T

T

L

G

S

F

G

G

Y

Y

G

G

A

Q

Y

W

S

L

H

H

G

G

E

E

A

A

V

V

A

A

I

A

G

G

M

M

G

V

V

M

A

A

A

V

E

D

L

M

S

S

R

Y

L

R

L

L

G

G

F

W

G

I

S

D

E

E

A

S

D

I

V

V

D

N

Q

R

I

A

R

H

S

N

L

I

M

L

S

Q

G

Q

F

A

D

K

L

L

P

P

L

T

D

A

P

P

-

E

A

T

H

M

S

T

L

V

D

E

A

M

Y

F

L

K

A

S

A

V

M

M

G

A

R

V

D

D

K

K

V

V

H

A

D

D

G

G

K

L

L

L

R

R

F

L

V

I

L

L

N

L

H

K

G

G

-

P

I

L

G

G

D

N

C

C

N122 (= N43) binding NAD(+)
DGE 153:155 (= DGE 72:74) binding NAD(+)
K158 (= K77) binding NAD(+)
GGVIGD 186:191 (= GGVIGD 105:110) binding NAD(+)
TT 211:212 (= TT 130:131) binding NAD(+)
K224 (= K143) binding NAD(+)
K233 (= K152) binding NAD(+)
TLNT 251:254 (≠ TLKT 170:173) binding NAD(+)
K308 (= K227) binding NAD(+)

3zokA Structure of 3-dehydroquinate synthase from actinidia chinensis in complex with NAD (see paper)
51% identity, 93% coverage: 6:341/361 of query aligns to 6:344/365 of 3zokA

query
sites
3zokA

V

V

G

D

L

L

G

G

E

D

R

R

S

S

Y

Y

P

P

I

I

W

Y

I

I

G

G

E

S

G

G

I

L

L

L

D

D

R

Q

L

-

A

P

E

D

A

L

L

L

D

Q

A

R

V

H

A

V

F

H

P

G

R

K

R

R

V

V

A

L

V

V

T

T

N

N

P

S

T
|
T

V
|
V

F

A

G

P

H

I

Y

Y

G

L

E

D

R

K

V

V

L

V

R

G

L

A

L

L

E

T

G

N

G

E

G

N

Y

P

R

N

P

V

T

S

V

V

-

E

-

S

I

V

E

I

L

L

P

P

D
|
D

G

G

E
|
E

Q

K

Y

Y

K
|
K

T

N

L

M

Q

D

Y

T

L

L

E

M

K

K

I

V

Y

F

D

D

S

K

L

A

L

I

T

E

G

S

G

R

F

L

D

D

R

R

H

R

S

C

G

T

L

F

L

V

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

M

M

T

C

G

G

F

Y

A

A

T

S

Y

F

V

L

R
|
R

G

G

I

V

P

N

F

F

A

I

Q

Q

I

I

P

P

T
|
T

L

V

L
x
M

S

A

Q

Q

V

V

D
|
D

S
|
S

S

S

V

V

G

G

K
|
K

T

T

A

G

V

I

N

N

H

H

P

R

L

L

G

G

K
|
K

N

N

M

L

I

I

G

G

A

A

F

F

Y

Y

Q

Q

P

P

R

Q

H

C

V

V

H

L

I

I

D

D

V

T

A

D

T

T

L

L

K

N

T
|
T

L
|
L

P

P

A

D

R

R

E
|
E

F

L

A

A

A

S

G

G

M

L

A

A

E
|
E

V

V

I

V

K

K

Y

Y

G

G

V

L

I

I

R

R

D

D

R

A

E

N

F

F

A

E

W

W

L

Q

A

E

K

K

H

N

R

M

T

P

E

A

L

L

L

M

E

A

L

R

R

D

P

P

D

S

A

A

L

L

I

A

Y

Y

A

A

V

I

K

K

S

R

S

S

C

C

Q

E

I

N

K
|
K

A

A

D

E

V

V

E

S

E

L

D

D

E

E

K

K

E
|
E

S

S

S

G

V

L

R
|
R

A

A

I

T

L

L

N
|
N

F

L

G

G

H
|
H

T

T

F

F

G

G

H
|
H

A

A

V

I

E

E

T

T

L

G

S

F

G

G

Y

Y

G

G

A

Q

Y

W

S

L

H
|
H

G

G

E

E

A

A

V

V

A

A

I

A

G

G

M

M

G

V

V

M

A

A

A

V

E

D

L

M

S

S

R

Y

L

R

L

L

G

G

F

W

G

I

S

D

E

E

A

S

D

I

V

V

D

N

Q

R

I

A

R

H

S

N

L

I

M

L

S

Q

G

Q

F

A

D

K

L

L

P

P

L

T

D

A

P

P

-

E

A

T

H

M

S

T

L

V

D

E

A

M

Y

F

L

K

A

S

A

V

M

M

G

A

R

V

D

D

K

K

V

V

H

A

D

D

G

G

K

L

L

L

R

R

F

L

V

I

L

L

N

L

H

K

G

G

-

P

I

L

G

G

D

N

C

C

active site: R122 (= R121), K144 (= K143), E186 (= E185), K228 (= K227), E238 (= E237), R242 (= R241), N246 (= N245), H249 (= H248), H253 (= H252), H266 (= H265)
binding glycine: K144 (= K143), K228 (= K227), R242 (= R241)
binding nicotinamide-adenine-dinucleotide: T44 (= T45), V45 (= V46), D73 (= D72), E75 (= E74), K78 (= K77), G106 (= G105), G107 (= G106), V108 (= V107), D111 (= D110), T131 (= T130), T132 (= T131), M134 (≠ L133), D138 (= D137), S139 (= S138), K144 (= K143), K153 (= K152), T174 (= T173), L175 (= L174), E179 (= E178), H266 (= H265)

6llaB Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+ and NAD (see paper)
52% identity, 94% coverage: 1:339/361 of query aligns to 2:341/363 of 6llaB

query
sites
6llaB

M

M

E

E

S

K

L

V

T

T

V

V

G

T

L

L

G

D

E

E

R

R

S

S

Y

Y

P

P

I

I

W

N

I

I

G

A

E

P

G

S

I

L

L

Y

D

Q

R

Q

L

-

A

Q

E

D

A

A

L

F

D

W

A

P

V

L

A

T

F

A

P

G

R

Q

R

R

V

A

A

M

V

I

V

V

T

T

N

N

P

E

T

T

V
x
L

F

A

G

P

H

L

Y

Y

G

L

E

H

R

K

V

I

L

Q

R

T

L

V

L

L

E

E

G

V

G

S

G

G

Y

V

R

K

P

V

T

D

V

S

I

I

E

I

L

L

P

P

D
|
D

G

G

E
|
E

Q

Q

Y

Y

K
|
K

T

S

L

L

Q

F

Y

I

L

M

E

N

K

D

I

V

Y

F

D

T

S

A

L

L

T

E

G

K

G

H

F

H

D

N

R

R

H

D

S

T

G

T

L

L

L

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

M

L

T

T

G

G

F

F

A

A

T

S

Y

Y

V

Q

R
|
R

G

G

I

V

P

R

F

F

A

I

Q

Q

I

V

P

P

T
|
T

L

L

L
|
L

S

S

Q

Q

V

V

D
|
D

S

S

V

V

G

G

K
|
K

T

T

A

A

V

V

N

N

H

H

P

P

L

L

G

G

K

K

N

N

M

M

I

I

G

G

A

A

F

F

Y

Y

Q

Q

P

P

R

A

H

S

V

V

H

V

I

I

D

D

V

L

A

D

T

C

L

L

K

K

T
|
T

L
|
L

P

P

A

K

R

R

E
|
E

F

L

A

S

G

G

M

L

A

A

E
|
E

V

V

I

I

K

K

Y

Y

G

G

V

I

I

I

R

L

D

D

R

G

E

E

F

F

A

S

W

W

L

L

A

E

K

E

H

N

R

I

T

D

E

A

L

L

L

M

E

A

L

L

R

D

P

N

D

Q

A

A

L

M

I

A

Y

Y

A

C

V

I

K

R

S

R

S

C

C

C

Q

E

I

L

K
|
K

A

A

D

Q

V

V

E

A

D

D

E

E

K

K

E
|
E

S

T

S

S

-

G

V

L

R
|
R

A

A

I

L

L

L

N
|
N

F

L

G

G

H
|
H

T

T

F

F

G

G

H
|
H

A

A

V

I

E

E

T

A

L

E

S

M

G

G

Y

Y

G

G

A

V

Y

W

S

L

H
|
H

G

G

E

E

A

A

V

V

A

A

I

A

G

G

M

M

G

V

V

M

A

A

E

K

L

T

S

A

R

E

L

L

L

I

G

G

F

Q

G

F

S

T

E

P

A

E

D

Q

V

T

D

D

Q

R

I

V

R

I

S

A

L

L

M

L

S

K

G

R

F

A

D

E

L

L

P

P

L

V

D

T

P

G

P

P

A

A

H

K

-

M

S

Q

L

P

D

D

A

D

Y

Y

L

L

A

P

A

H

M

M

G

M

R

R

D

D

K

K

V

V

H

M

D

G

G

G

K

K

L

L

R

H

F

L

V

I

L

L

N

P

H

T

G

T

I

I

G

G

active site: R121 (= R121), K143 (= K143), E185 (= E185), K227 (= K227), E237 (= E237), R242 (= R241), N246 (= N245), H249 (= H248), H253 (= H252), H266 (= H265)
binding magnesium ion: E185 (= E185), H249 (= H248), H266 (= H265)
binding nicotinamide-adenine-dinucleotide: L46 (≠ V46), D72 (= D72), E74 (= E74), K77 (= K77), G105 (= G105), G106 (= G106), V107 (= V107), D110 (= D110), T130 (= T130), T131 (= T131), L133 (= L133), D137 (= D137), K143 (= K143), T173 (= T173), L174 (= L174), E178 (= E178)

5eksA Structure of 3-dehydroquinate synthase from acinetobacter baumannii in complex with NAD
50% identity, 94% coverage: 1:339/361 of query aligns to 2:332/355 of 5eksA

query
sites
5eksA

M

M

E

Q

S

T

L

L

T

H

V

V

G

E

L

L

G

G

E

E

R

R

S

R

Y

Y

P

P

I

I

W

F

I

I

G

G

E

S

G

Q

I

L

L

D

D

P

R

K

L

-

A

-

E

Q

A

L

L

L

D

E

A

P

V

Y

A

I

F

H

P

G

R

Q

V

V

A

M

V

I

V

V

T

S

N
|
N

P

V

T

T

V
|
V

F

A

G

P

H

L

Y

Y

G

L

E

S

R

H

V

Y

L

Q

R

E

L

A

L

L

E

E

G

S

G

L

G

G

Y

K

R

T

P

V

T

A

V

T

I

C

E

I

L

L

P

P

D
|
D

G

G

E
|
E

Q

K

Y

Y

K
|
K

T

D

L

I

Q

Q

Y

H

L

L

E

N

K

L

I

I

Y

F

D

D

S

A

L

L

T

E

G

A

G

G

F

F

D

N

R

R

H

D

S

C

G

T

L

V

L

L

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

M

M

T

A

G

G

F

F

A

A

A

S

A

A

T

C

Y

F

V

Q

R
|
R

G

G

I

V

P

Y

F

F

A

V

Q

Q

I

V

P

P

T
|
T

L

L

S

S

Q

Q

V

V

D
|
D

S
|
S

S

S

V

V

G

G

K
|
K

T

T

A

G

V

I

N

N

H

H

P

P

L

L

G

G

K

K

N

N

M

M

I

L

G

G

A

A

F

F

Y

Q

Q

Q

P

P

R

Q

H

V

V

V

H

L

I

A

D

D

V

M

A

A

T

Q

L

L

K

N

T
|
T

L
|
L

P

P

A

E

R

R

E
|
E

F

L

A

S

A

A

G

G

M

L

A

A

E
|
E

V

V

I

I

K

K

Y

Y

G

A

V

L

I

L

R

G

D

D

R

E

E

D

F

F

F

L

A

V

W

W

L

L

A

E

K

E

H

N

R

M

T

D

E

G

L

L

L

V

E

A

L

R

R

D

P

A

D

D

A

L

L

L

I

A

Y

E

A

A

V

V

K

Y

S

R

S

S

C

C

Q

A

I

H

K
|
K

A

A

D

R

V

I

V

V

E

A

E

N

D

D

E

E

K

K

E

E

S

-

V

-

R
|
R

A

A

I

L

L

L

N
|
N

F

L

G

G

H
|
H

T

T

F

F

G

G

H
|
H

A

A

V

I

E

E

T

S

L

Y

S

L

G

G

Y

Y

G

G

A

T

Y

W

S

L

H
|
H

G

G

E

E

A

A

V

V

A

A

I

T

G

G

M

M

G

V

V

M

A

A

E

D

L

L

S

S

R

Q

L

R

L

L

G

G

F

W

G

I

S

S

E

N

A

E

D

D

V

V

D

A

Q

R

I

T

R

K

S

K

L

I

M

I

S

Q

G

R

F

A

D

N

L

L

P

P

L

I

D

S

P

C

P

P

A

Q

H

I

S

P

L

L

D

D

A

D

Y

F

L

L

A

G

A

Y

M

M

G

A

R

H

D

D

K

K

V

V

H

-

D

-

G

-

K

Q

L

L

R

R

F

L

V

V

L

L

N

L

H

K

G

Q

I

L

G

G

active site: R120 (= R121), K142 (= K143), E184 (= E185), K226 (= K227), R237 (= R241), N241 (= N245), H244 (= H248), H248 (= H252), H261 (= H265)
binding magnesium ion: E184 (= E185), H244 (= H248), H261 (= H265)
binding nicotinamide-adenine-dinucleotide: N42 (= N43), V45 (= V46), D71 (= D72), E73 (= E74), K76 (= K77), G104 (= G105), G105 (= G106), V106 (= V107), D109 (= D110), T129 (= T130), T130 (= T131), D136 (= D137), S137 (= S138), K142 (= K143), T172 (= T173), L173 (= L174), E177 (= E178)

6lk2A Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+, NAD and chlorogenic acid (see paper)
51% identity, 94% coverage: 1:339/361 of query aligns to 2:337/357 of 6lk2A

query
sites
6lk2A

M

M

E

E

S

K

L

V

T

T

V

V

G

T

L

L

G

D

E

E

R

R

S

S

Y

Y

P

P

I

I

W

N

I

I

G

A

E

P

G

S

I

L

L

Y

D

Q

R

Q

L

-

A

Q

E

D

A

A

L

F

D

W

A

P

V

L

A

T

F

A

P

G

R

Q

R

R

V

A

A

M

V

I

V

V

T

T

N

N

P

E

T

T

V
x
L

F

A

G

P

H

L

Y

Y

G

L

E

H

R

K

V

I

L

Q

R

T

L

V

L

L

E

E

G

V

G

S

G

G

Y

V

R

K

P

V

T

D

V

S

I

I

E

I

L

L

P

P

D
|
D

G

G

E
|
E

Q

Q

Y

Y

K
|
K

T

S

L

L

Q

F

Y

I

L

M

E

N

K

D

I

V

Y

F

D

T

S

A

L

L

T

E

G

K

G

H

F

H

D

N

R

R

H

D

S

T

G

T

L

L

L

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

M

L

T

T

G

G

F

F

A

A

T

S

Y

Y

V

Q

R
|
R

G

G

I

V

P

R

F

F

A

I

Q

Q

I

V

P

P

T
|
T

L

L

L
|
L

S

S

Q

Q

V

V

D
|
D

S
|
S

S

S

V

V

G

G

K
|
K

T

T

A

A

V

V

N

N

H

H

P

P

L

L

G

G

K

K

N

N

M

M

I

I

G

G

A

A

F

F

Y

Y

Q

Q

P

P

R

A

H

S

V

V

H

V

I

I

D

D

V

L

A

D

T
x
C

L

L

K

K

T
|
T

L
|
L

P
|
P

A

K

R

R

E
|
E

F

L

A

S

G

G

M

L

A

A

E
|
E

V

V

I

I

K

K

Y

Y

G

G

V

I

I

I

R

L

D

D

R

G

E

E

F

F

A

S

W

W

L

L

A

E

K

E

H

N

R

I

T

D

E

A

L

L

L

M

E

A

L

L

R

D

P

N

D

Q

A

A

L

M

I

A

Y

Y

A

C

V

I

K

R

S

R

S

C

C

C

Q

E

I

L

K
|
K

A

A

D

Q

V

V

E

A

D

D

E

E

K

-

E

-

S

-

S

G

V

L

R
|
R

A

A

I

L

L

L

N
|
N

F

L

G

G

H
|
H

T
|
T

F

F

G

G

H
|
H

A

A

V

I

E

E

T

A

L

E

S

M

G

G

Y

Y

G

G

A

V

Y

W

S

L

H
|
H

G

G

E

E

A

A

V

V

A

A

I

A

G

G

M

M

G

V

V

M

A

A

E

K

L

T

S

A

R

E

L

L

L

I

G

G

F

Q

G

F

S

T

E

P

A

E

D

Q

V

T

D

D

Q

R

I

V

R

I

S

A

L

L

M

L

S

K

G

R

F

A

D

E

L

L

P

P

L

V

D

T

P

G

P

P

A

A

H

K

-

M

S

Q

L

P

D

D

A

D

Y

Y

L

L

A

P

A

H

M

M

G

M

R

R

D

D

K

K

V

V

H

M

D

G

G

G

K

K

L

L

R

H

F

L

V

I

L

L

N

P

H

T

G

T

I

I

G

G

active site: R121 (= R121), K143 (= K143), E185 (= E185), K227 (= K227), R238 (= R241), N242 (= N245), H245 (= H248), H249 (= H252), H262 (= H265)
binding (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid: D137 (= D137), E185 (= E185), K227 (= K227), R238 (= R241), N242 (= N245), H245 (= H248), T246 (= T249), H249 (= H252), H262 (= H265)
binding magnesium ion: E185 (= E185), H245 (= H248), H262 (= H265)
binding nicotinamide-adenine-dinucleotide: L46 (≠ V46), D72 (= D72), E74 (= E74), K77 (= K77), G105 (= G105), G106 (= G106), V107 (= V107), D110 (= D110), T130 (= T130), T131 (= T131), L133 (= L133), D137 (= D137), S138 (= S138), C170 (≠ T170), T173 (= T173), L174 (= L174), P175 (= P175), E178 (= E178)

Q5NFS1 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
50% identity, 92% coverage: 12:344/361 of query aligns to 14:344/359 of Q5NFS1

query
sites
Q5NFS1

S

S

Y

Y

P

N

I

I

W

-

I

I

G

V

E

D

G

S

I

V

L

L

D

D

R

-

L

F

A

S

E

H

A

I

L

L

D

E

A

Y

V

V

A

T

F

-

P

N

R

K

R

Q

V

V

A

L

V

V

T

T

N
|
N

P

T

T

T

V

V

F

A

G

K

H

L

Y

Y

G

L

E

T

R

K

V

F

L

L

R

A

-

A

L

L

L

V

E

D

G

D

G

L

G

D

Y

V

R

R

P

T

T

C

V

I

I

L

E

E

L

-

P

-

D
|
D

G
|
G

E
|
E

Q
|
Q

Y
|
Y

K
|
K

T

S

L

Q

Q

Q

Y

S

L

L

E

D

K

K

I

I

Y

L

D

S

S

T

L

L

T

E

G

N

G

H

F

F

D

T

R

R

H

N

S

S

G

T

L

V

L

L

-

V

A

A

L

L

G

G

G
|
G

V
|
V

I
|
I

G
|
G

D
|
D

M

I

T

T

G

G

F

F

A

A

T

I

Y

Y

V

Q

R

R

G

G

I

I

P

D

F

F

A

I

Q

Q

I

I

P

P

T
|
T

L

L

S

S

Q

Q

V

V

D

D

S

S

V

V

G

G

K
|
K

T

T

A

A

V

I

N

N

H

H

P

Q

L

L

G

G

K

K

N

N

M

M

I

I

G

G

A

A

F

F

Y

Y

Q

Q

P

P

R

K

H

V

V

V

H

Y

I

T

D

S

V

I

A

E

T
x
F

L
x
Y

K
|
K

T
|
T

L

L

P

P

A

Q

R

R

E

E

F

Y

A

I

A

A

G

G

M

M

A

A

E

E

V

V

I

V

K

K

Y

Y

G

A

V

F

I

I

R

-

D

S

R

K

E

D

F

F

F

Y

A

L

W

W

L

L

A

D

K

S

H

N

R

R

T

D

E

K

L

I

L

L

E

A

L

K

R

D

P

S

D

V

A

T

L

L

I

I

Y

E

A

M

V

V

K

K

S

R

S

S

C

C

Q

Q

I

I

K

K

A

A

D

Q

V

V

E

A

E

M

D

D

E

E

K

K

E

E

-

L

S

T

S

G

V

A

R

R

A

A

I

I

L

L

N

N

F

F

G

G

H

H

T

T

F

F

G

G

H

H

A

A

V

I

E

E

T

K

L

C

S

Q

G

N

Y

Y

G

R

A

G

Y

L

S

K

H

H

G

G

E

E

A

A

V

V

A

G

I

V

G

G

M

M

G

A

V

Q

A

A

A

I

E

D

L

F

S

S

R

H

L

Y

L

L

G

G

F

L

G

I

S

S

E

Q

A

Q

D

Q

V

A

D

K

Q

D

I

F

R

N

S

D

L

F

M

I

S

V

G

S

F

F

D

G

L

I

P

S

L

I

D

D

P

F

P

P

A

N

H

D

S

I

L

C

D

Q

A

K

-

E

Y

F

L

L

A

E

A

A

M

M

G

L

R

L

D

D

K

K

V

N

H

S

D

N

G

K

K

E

L

L

R

K

F

F

V

I

L

L

N

I

H

E

G

N

I

I

G

G

D

S

C

L

G

S

L

L

H

Q

N42 (= N43) binding NAD(+)
DGEQYK 70:75 (= DGEQYK 72:77) binding NAD(+)
GVIGD 105:109 (= GVIGD 106:110) binding NAD(+)
TT 129:130 (= TT 130:131) binding NAD(+)
K142 (= K143) binding NAD(+)
FYKT 169:172 (≠ TLKT 170:173) binding NAD(+)

5hvnA 3.0 angstrom crystal structure of 3-dehydroquinate synthase (arob) from francisella tularensis in complex with NAD.
49% identity, 92% coverage: 12:344/361 of query aligns to 17:339/354 of 5hvnA

query
sites
5hvnA

S

S

Y

Y

P

N

I

I

W

-

I

I

G

V

E

D

G

S

I

V

L

L

D

D

R

-

L

F

A

S

E

H

A

I

L

L

D

E

A

Y

V

V

A

T

F

-

P

N

R

K

R

Q

V

V

A

L

V

V

T

T

N
|
N

P

T

T

T

V

V

F

A

G

K

H
x
L

Y

Y

G

L

E

T

R

K

V

F

L

L

R

A

-

A

L

L

L

V

E

D

G

D

G

L

G

D

Y

V

R

R

P

T

T

C

V

I

I

L

E

E

L

-

P

-

D
|
D

G

G

E
|
E

Q

Q

Y

Y

K
|
K

T

S

L

Q

Q

Q

Y

S

L

L

E

D

K

K

I

I

Y

L

D

S

S

T

L

L

T

E

G

N

G

H

F

F

D

T

R

R

H

N

S

S

G

T

L

V

L

L

-

V

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

M

I

T

T

G

G

F

F

A

A

T

I

Y

Y

V

Q

R
|
R

G

G

I

I

P

D

F

F

A

I

Q

Q

I

I

P

P

T
|
T

L

L

L
|
L

S

S

Q

Q

V

V

D
|
D

S

S

V

V

G

G

K
|
K

T

T

A

A

V

I

N

N

H

H

P

Q

L

L

G

G

K

K

N

N

M

M

I

I

G

G

A

A

F

F

Y

Y

Q

Q

P

P

R

K

H

V

V

V

H

Y

I

T

D

S

V

I

A

E

T
x
F

L

Y

K

K

T
|
T

L
|
L

P

P

A

Q

R

R

E
|
E

F

Y

A

I

A

A

G

G

M

M

A

A

E
|
E

V

V

I

V

K

K

Y

Y

G

A

V

F

I

I

R

S

D

-

R

K

E

D

F

F

F

Y

A

L

W

W

L

L

A

D

K

S

H

N

R

R

T

D

E

K

L

I

L

L

E

A

L

K

R

D

P

S

D

V

A

T

L

L

I

I

Y

E

A

M

V

V

K

K

S

R

S

S

C

C

Q

Q

I

I

K
|
K

A

A

D

Q

V

V

E

A

E

M

D

D

E

-

K

-

E

-

S

T

S

G

V

A

R
|
R

A

A

I

I

L

L

N
|
N

F

F

G

G

H
|
H

T

T

F

F

G

G

H
|
H

A

A

V

I

E

E

T

K

L

C

S

Q

G

N

Y

Y

G

R

A

G

Y

L

S

K

H
|
H

G

G

E

E

A

A

V

V

A

G

I

V

G

G

M

M

G

A

V

Q

A

A

A

I

E

D

L

F

S

S

R

H

L

Y

L

L

G

G

F

L

G

I

S

S

E

Q

A

Q

D

Q

V

A

D

K

Q

D

I

F

R

N

S

D

L

F

M

I

S

V

G

S

F

F

D

G

L

I

P

S

L

I

D

D

P

F

P

P

A

N

H

D

S

I

L

C

D

Q

A

K

-

E

Y

F

L

L

A

E

A

A

M

M

G

L

R

L

D

D

K

N

K

K

V

-

H

-

D

-

G

-

K

E

L

L

R

K

F

F

V

I

L

L

N

I

H

E

G

N

I

I

G

G

D

S

C

L

G

S

L

L

H

Q

active site: R123 (= R121), K145 (= K143), E187 (= E185), K228 (= K227), R239 (= R241), N243 (= N245), H246 (= H248), H250 (= H252), H263 (= H265)
binding nicotinamide-adenine-dinucleotide: N45 (= N43), L51 (≠ H49), D73 (= D72), E75 (= E74), K78 (= K77), G107 (= G105), G108 (= G106), V109 (= V107), D112 (= D110), T132 (= T130), T133 (= T131), L135 (= L133), D139 (= D137), K145 (= K143), F172 (≠ T170), T175 (= T173), L176 (= L174), E180 (= E178)

P56081 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
41% identity, 94% coverage: 1:339/361 of query aligns to 1:322/343 of P56081

query
sites
P56081

M

M

E

Q

S

E

L

I

T

L

V

I

G

P

L

L

G

K

E

E

R

K

S

N

Y

Y

P

K

I

V

W

F

I

L

G

G

E

E

G

-

I

-

L

-

D

-

R

-

L

-

A

-

E

-

A

-

L

L

D

P

A

E

V

I

A

K

F

L

P

K

R

Q

R

K

V

A

A

L

V

I

T

S

N

D

P

S

T

I

V

V

F

A

G

G

H

L

Y

H

G

L

E

P

R

Y

V

L

L

L

R

E

L

R

L

L

E

K

G

A

G

L

G

E

Y

V

R

R

P

V

T

C

V

V

I

I

E

E

L

-

P

-

D
x
S

G
|
G

E
|
E

Q
x
K

Y
|
Y

K
|
K

T

N

L

F

Q

H

Y

S

L

L

E

E

K

R

I

I

Y

L

D

N

S

N

L

A

L

F

T

E

G

M

G

Q

F

L

D

N

R

R

H

H

S

S

G

L

L

M

L

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

S

D

D

M

M

T

V

G

G

F

F

A

A

A

S

T

I

Y

Y

V

F

R

R

G

G

I

I

P

D

F

F

A

I

Q

N

I

I

P

P

T
|
T

L

L

S

A

Q

Q

V

V

D

D

S

A

S

S

V

V

G

G

K

K

T

T

A

G

V

I

N

N

H

T

P

P

L

Y

G

G

K

K

N
|
N

M

L

I

I

G

G

A

S

F

F

Y

H

Q

Q

P

P

R

K

H

A

V

V

H

Y

I

M

D

D

V

L

A

A

T
x
F

L
|
L

K
|
K

T
|
T

L

L

P

E

A

K

R

R

E

E

F

F

A

Q

A

A

G

G

M

V

A

A

E

E

V

I

I

I

K

K

Y

M

G

A

V

V

I

C

R

F

D

D

R

K

E

N

F

L

F

V

A

-

W

-

L

-

A

-

K

-

H

E

R

R

T

L

E

E

L

T

L

K

E

D

L

L

R

K

P

-

D

D

A

C

L

L

I

E

Y

E

A

V

V

I

K

F

S

Q

S

S

C

V

Q

N

I

I

K

K

A

A

D

Q

V

V

E

V

E

Q

D

D

E

E

K

K

E

E

S

Q

S

N

V

I

R

R

A

A

I

G

L

L

N

N

F

Y

G

G

H

H

T

T

F

F

G

G

H

H

A

A

V

I

E

E

T

K

L

E

S

T

G

D

Y

Y

G

E

A

R

Y

F

S

L

H

H

G

G

E

E

A

A

V

I

A

A

I

I

G

G

M

M

G

R

V

M

A

A

A

N

E

D

L

L

S

A

R

L

L

S

L

L

G

G

F

M

G

L

S

T

E

L

A

K

D

E

V

Y

D

E

Q

R

I

I

R

E

S

N

L

L

M

L

S

K

G

K

F

F

D

D

L

L

P

I

L

F

D

H

P

Y

P

K

A

I

H

L

S

D

L

L

D

Q

A

K

Y

F

L

Y

A

E

A

R

M

L

G

F

R

L

D

D

K

K

V

S

H

E

D

N

G

K

K

T

L

I

R

K

F

F

V

I

L

L

N

P

H

K

G

G

I

V

G

G

SGEKYK 61:66 (≠ DGEQYK 72:77) binding NAD(+)
GV 95:96 (= GV 106:107) binding NAD(+)
TT 119:120 (= TT 130:131) binding NAD(+)
N142 (= N153) binding NAD(+)
FLKT 159:162 (≠ TLKT 170:173) binding NAD(+)

3clhA Crystal structure of 3-dehydroquinate synthase (dhqs)from helicobacter pylori (see paper)
42% identity, 83% coverage: 4:303/361 of query aligns to 1:274/308 of 3clhA

query
sites
3clhA

L

I

T

L

V

I

G

P

L

L

G

K

E

E

R

K

S

N

Y

Y

P

K

I

V

W

F

I

L

G

G

E

E

G

-

I

-

L

-

D

-

R

-

L

-

A

-

E

-

A

-

L

L

D

P

A

E

V

I

A

K

F

L

P

K

R

Q

R

K

V

A

A

L

V

I

T

S

N

D

P

S

T
x
I

V
|
V

F

A

G

G

H

L

Y
x
H

G

L

E

P

R

Y

V

L

L

L

R

E

L

R

L

L

E

K

G

A

G

L

G

E

Y

V

R

R

P

V

T

C

V

V

I

I

E

E

L

-

P

-

D
x
S

G

G

E
|
E

Q

K

Y

Y

K
|
K

T

N

L

F

Q

H

Y

S

L

L

E

E

K

R

I

I

Y

L

D

N

S

N

L

A

L

F

T

E

G

M

G

Q

F

L

D

N

R

R

H

H

S

S

G

L

L

M

L

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

S

D
|
D

M

M

T

V

G

G

F

F

A

A

A

S

T

I

Y

Y

V

F

R
|
R

G

G

I

I

P

D

F

F

A

I

Q

N

I

I

P

P

T
|
T

L

L

L
|
L

S

A

Q

Q

V

V

D
|
D

S
x
A

S

S

V

V

G

G

K
|
K

T

T

A

G

V

I

N

N

H

T

P

P

L

Y

G

G

K

K

N
|
N

M

L

I

I

G

G

A

S

F

F

Y

H

Q

Q

P

P

R

K

H

A

V

V

H

Y

I

M

D

D

V

L

A

A

T

F

L

L

K

K

T
|
T

L
|
L

P

E

A

K

R

R

E
|
E

F

F

A

Q

A

A

G

G

M

V

A

A

E
|
E

V

I

I

I

K

K

Y

M

G

A

V

V

I

C

R

F

D

D

R

K

E

N

F

L

F

V

A

-

W

-

L

-

A

-

K

-

H

E

R

R

T

L

E

E

L

T

L

K

E

D

L

L

R

K

P

-

D

D

A

C

L

L

I

E

Y

E

A

V

V

I

K

F

S

Q

S

S

C

V

Q

N

I

I

K
|
K

A

A

D

Q

V

V

V

-

E

-

D

-

E

-

K

-

E

-

S

-

V

V

R
|
R

A

A

I

G

L

L

N
|
N

F

Y

G

G

H
|
H

T

T

F

F

G

G

H
|
H

A

A

V

I

E

E

T

K

L

E

S

T

G

D

Y

Y

G

E

A

R

Y

F

S

L

H
|
H

G

G

E

E

A

A

V

I

A

A

I

I

G

G

M

M

G

R

V

M

A

A

A

N

E

D

L

L

S

A

R

L

L

S

L

L

G

G

F

M

G

L

S

T

E

L

A

K

D

E

V

Y

D

E

Q

R

I

I

R

E

S

N

L

L

M

L

S

K

G

K

F

F

D

D

L

L

active site: R107 (= R121), K129 (= K143), E171 (= E185), K207 (= K227), R212 (= R241), N216 (= N245), H219 (= H248), H223 (= H252), H236 (= H265)
binding nicotinamide-adenine-dinucleotide: I33 (≠ T45), V34 (= V46), H38 (≠ Y50), S58 (≠ D72), E60 (= E74), K63 (= K77), G91 (= G105), G92 (= G106), V93 (= V107), D96 (= D110), T116 (= T130), T117 (= T131), L119 (= L133), D123 (= D137), A124 (≠ S138), K129 (= K143), N139 (= N153), T159 (= T173), L160 (= L174), E164 (= E178)

P9WPX9 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
41% identity, 91% coverage: 13:342/361 of query aligns to 18:342/362 of P9WPX9

query
sites
P9WPX9

Y

Y

P

P

I

V

W

V

I

I

G

G

E

T

G

G

I

L

L

L

D

-

R

-

L

-

A

D

E

E

A

L

L

E

D

D

A

L

V

L

A

A

F

D

P

R

R

H

R

K

V

V

A

A

V

V

T

H

N
x
Q

P

P

T

G

V

-

F

L

G

A

H

E

Y

T

G

A

E

E

R

E

V

I

L

R

R

K

L

R

L

L

E

A

G

G

G

K

G

G

Y

V

R

D

P

A

T

H

V

R

I

I

E

E

L

I

P

P

D
|
D

G
x
A

E
|
E

Q
x
A

Y
x
G

K
|
K

T

D

L

L

Q

P

Y

V

L

V

E

G

K

F

I

I

Y

W

D

E

S

V

L

L

L

G

T

R

G

I

G

G

F

I

D

G

R

R

H

K

S

D

G

A

L

L

L

V

A

S

L

L

G

G

G
|
G

V
x
A

I
x
A

G
x
T

D
|
D

M

V

T

A

G

G

F

F

A

A

T

T

Y

W

V

L

R

R

G

G

I

V

P

S

F

I

A

V

Q

H

I

L

P

P

T
|
T

L

L

S

G

Q

M

V

V

D

D

S

A

V

V

G

G

K
|
K

T

T

A

G

V

I

N

N

H

T

P

D

L

A

G

G

K

K

N

N

M

L

I

V

G

G

A

A

F

F

Y

H

Q

Q

P

P

R

L

H

A

V

V

H

L

I

V

D

D

V

L

A

A

T
|
T

L
|
L

K
x
Q

T
|
T

L

L

P

P

A

R

R

D

E

E

F

M

A

I

A

C

G

G

M

M

A

A

E

E

V

V

I

V

K

K

Y

A

G

G

V

F

I

I

R

A

D

D

R

P

E

V

F

I

F

L

A

D

W

L

L

I

A

E

K

A

H

D

R

P

T

Q

E

A

L

A

L

L

E

D

L

P

R

A

P

G

D

D

A

V

L

L

I

P

Y

E

A

L

V

I

K

R

S

R

S

A

C

I

Q

T

I

V

K

K

A

A

D

E

V

V

E

A

D

D

E

E

K

K

E

E

S

S

S

E

V

L

R

R

A

E

I

I

L

L

N

N

F

Y

G

G

H

H

T

T

F

L

G

G

H

H

A

A

V

I

E

E

T

R

L

R

S

E

G

R

Y

Y

G

-

A

R

Y

W

S

R

H

H

G

G

E

A

A

A

V

V

A

S

I

V

G

G

M

L

G

V

V

F

A

A

E

E

L

L

S

A

R

R

L

L

L

A

G

G

F

R

G

L

S

D

E

D

A

A

D

T

V

A

D

Q

Q

R

I

H

R

R

S

T

L

I

M

L

S

S

G

S

F

L

D

G

L

L

P

P

L

V

D

S

P

Y

P

D

A

P

H

D

S

A

L

L

D

P

A

Q

Y

L

L

L

A

E

A

I

M

M

G

A

R

G

D

D

K

K

V

T

H

R

D

A

G

G

K

V

L

L

R

R

F

F

V

V

L

V

N

L

H

D

G

G

I

L

G

A

D

K

C

P

G

G

Q45 (≠ N43) binding NAD(+)
DAEAGK 73:78 (≠ DGEQYK 72:77) binding NAD(+)
GAATD 107:111 (≠ GVIGD 106:110) binding NAD(+)
TT 131:132 (= TT 130:131) binding NAD(+)
K144 (= K143) binding NAD(+)
TLQT 171:174 (≠ TLKT 170:173) binding NAD(+)

6hqvA Pentafunctional arom complex from chaetomium thermophilum (see paper)
40% identity, 81% coverage: 46:339/361 of query aligns to 56:365/1555 of 6hqvA

query
sites
6hqvA

V

V

F

F

G

E

H

A

Y

A

G

A

E

P

R

R

V

D

L

V

R

R

L

L

E

-

G

-

Y

-

R

-

P

-

T

-

V

T

I

Y

E

A

L

I

P

P

D

P

G

G

E
|
E

Q

Y

Y

S

K
|
K

T

S

L

R

Q

E

Y

T

L

K

E

A

K

E

I

I

Y

E

D

D

S

W

L

M

L

L

T

S

G

H

G

A

F

C

D

T

R

R

H

D

S

T

G

V

L

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

M

M

T

I

G

G

F

Y

A

V

A

A

T

T

Y

F

V

M

R
|
R

G

G

I

V

P

R

F

F

A

V

Q

Q

I

V

P

P

T
|
T

L

L

L
|
L

S

A

Q

M

V

V

D
|
D

S
|
S

S

S

V

I

G

G

K
|
K

T

T

A

A

V

I

N

D

H

T

P

P

L

M

G

G

K
|
K

N

N

M

L

I

I

G

G

A

A

F

F

Y

W

Q

Q

P

P

R

R

H

R

V

I

H

Y

I

I

D

D

V

L