SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012506070.1 NCBI__GCF_000020625.1:WP_012506070.1 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)

3zokA Structure of 3-dehydroquinate synthase from actinidia chinensis in complex with NAD (see paper)
41% identity, 92% coverage: 17:347/359 of query aligns to 27:359/365 of 3zokA

query
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3zokA

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active site: R122 (= R110), K144 (= K132), E186 (= E174), K228 (= K216), E238 (= E227), R242 (= R231), N246 (= N235), H249 (= H238), H253 (= H242), H266 (= H255)
binding glycine: K144 (= K132), K228 (= K216), R242 (= R231)
binding nicotinamide-adenine-dinucleotide: T44 (≠ N34), V45 (≠ T35), D73 (≠ A61), E75 (= E63), K78 (= K66), G106 (= G94), G107 (= G95), V108 (= V96), D111 (= D99), T131 (= T119), T132 (= T120), M134 (≠ L122), D138 (= D126), S139 (= S127), K144 (= K132), K153 (= K141), T174 (= T162), L175 (= L163), E179 (= E167), H266 (= H255)

U3KRF2 3-dehydroquinate synthase, chloroplastic; EC 4.2.3.4 from Actinidia chinensis var. chinensis (Chinese soft-hair kiwi) (see paper)
41% identity, 92% coverage: 17:347/359 of query aligns to 107:439/445 of U3KRF2

query
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U3KRF2

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N122 (≠ D32) binding NAD(+)
DGE 153:155 (≠ ARE 61:63) binding NAD(+)
K158 (= K66) binding NAD(+)
GGVIGD 186:191 (≠ GGVVGD 94:99) binding NAD(+)
TT 211:212 (= TT 119:120) binding NAD(+)
K224 (= K132) binding NAD(+)
K233 (= K141) binding NAD(+)
TLNT 251:254 (≠ WLNT 159:162) binding NAD(+)
K308 (= K216) binding NAD(+)

6llaB Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+ and NAD (see paper)
40% identity, 92% coverage: 25:355/359 of query aligns to 36:361/363 of 6llaB

query
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6llaB

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active site: R121 (= R110), K143 (= K132), E185 (= E174), K227 (= K216), E237 (= E226), R242 (= R231), N246 (= N235), H249 (= H238), H253 (= H242), H266 (= H255)
binding magnesium ion: E185 (= E174), H249 (= H238), H266 (= H255)
binding nicotinamide-adenine-dinucleotide: L46 (≠ T35), D72 (≠ A61), E74 (= E63), K77 (= K66), G105 (= G94), G106 (= G95), V107 (= V96), D110 (= D99), T130 (= T119), T131 (= T120), L133 (= L122), D137 (= D126), K143 (= K132), T173 (= T162), L174 (= L163), E178 (= E167)

Q5NFS1 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
41% identity, 84% coverage: 43:345/359 of query aligns to 57:350/359 of Q5NFS1

query
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Q5NFS1

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F

F

L

Y

S

L

Y

W

L

L

D

D

E

S

H

N

F

R

D

D

E

K

I

I

V

L

A

A

V

K

K

D

D

S

P

V

Y

T

V

L

T

I

Y

E

A

M

I

V

R

K

T

R

S

S

A

C

M

Q

I

I

K

K

A

A

D

Q

V

V

V

V

E

A

K

M

D

D

F

E

K

K

E

E

E

L

S

T

G

G

L

A

R

R

A

A

T

I

L

L

N

N

F

F

G

G

H

H

T

T

F

F

G

G

H

H

G

A

L

I

E

E

K

K

L

C

A

Q

D

N

Y

Y

R

R

H

G

I

L

R

K

H

H

G

G

E

E

A

A

V

V

A

G

L

V

G

G

M

M

V

A

C

Q

A

A

L

I

I

D

L

F

S

S

E

H

M

Y

L

L

G

G

T

L

I

I

T

S

E

Q

E

Q

E

Q

L

A

Q

K

Q

D

G

F

L

N

N

D

V

F

L

I

S

V

R

S

F

F

-

G

-

I

-

S

-

I

K

D

F

F

R

P

K

N

G

D

L

I

V

C

E

Q

K

K

H

E

F

F

K

-

V

-

H

-

P

-

A

-

Q

-

K

-

I

-

L

L

E

E

S

A

M

M

H

L

S

L

D

D

K

K

K

K

K

N

V

S

D

N

S

K

A

E

L

L

R

K

F

F

V

I

L

L

L

I

D

E

G

N

L

I

G

G

K

S

A

L

F

S

L

L

H

Q

R

K

E

Q

T

S

L

K

D

N

D

E

D-----GEQYK 70:75 (≠ ELVIPARETSK 56:66) binding NAD(+)
GVIGD 105:109 (≠ GVVGD 95:99) binding NAD(+)
TT 129:130 (= TT 119:120) binding NAD(+)
K142 (= K132) binding NAD(+)
FYKT 169:172 (≠ WLNT 159:162) binding NAD(+)

Sites not aligning to the query:

42 binding NAD(+)

Q9KNV2 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
38% identity, 93% coverage: 25:357/359 of query aligns to 34:360/361 of Q9KNV2

query
sites
Q9KNV2

R

Q

K

K

T

V

V

V

V

I

L

V

F

T

D
x
N

E

H

N

T

T

V

R

A

K

P

L

L

I

Y

G

A

N

P

Q

A

I

I

L

I

D

S

S

L

L

L

D

D

R

H

Q

I

G

G

F

C

I

Q

W

H

K

A

E

L

L

L

V

E

I

L

P

P

A
x
D

R
x
G

E
|
E

T
x
Q

S
x
Y

K
|
K

S

T

F

L

R

E

T

T

A

F

M

N

K

T

L

V

Y

M

T

S

E

F

M

L

I

L

E

E

A

H

H

N

V

Y

D

S

R

R

G

D

W

V

N

V

L

V

L

I

A

A

V

L

G

G

G

G

G
|
G

V
|
V

V
x
I

G
|
G

D
|
D

L

L

G

V

G

G

F

F

V

A

A

A

A

A

S

C

F

Y

Y

Q

R

R

G

G

I

V

P

D

V

F

I

I

Q

Q

L

I

P

P

T
|
T

T
|
T

L

L

L

L

A

S

M

Q

T

V

D

D

S

S

A

S

I

V

G

G

G

G

K
|
K

V

T

A

A

I

V

N

N

H

H

P

P

L

L

G

G

K
|
K

N
|
N

L

M

I

I

G

G

F

A

F

F

H

Y

M

Q

P

P

Q

K

L

A

V

V

L

V

I

I

D

D

P

T

A

D

W
x
C

L
|
L

N
x
T

T
|
T

L

L

P

P

E

A

R

R

E

E

I

F

Y

A

A

A

G

G

M

M

A

A

E

E

V

V

V

I

K

K

Y

Y

G

G

F

I

I

I

A

Y

D

D

R

S

Q

A

F

F

L

F

S

D

Y

W

L

L

D

E

E

A

H

Q

F

M

D

E

E

A

I

L

V

Y

A

A

V

L

K

D

D

E

P

Q

Y

A

V

L

T

T

Y

Y

A

A

I

I

R

A

T

R

S

C

A

C

M

Q

I

I

K

K

A

A

D

E

V

V

V

V

E

A

K

Q

D

D

F

-

K

E

E

K

E

E

S

S

G

G

L

I

R

R

A

A

T

L

L

L

N

N

F

L

G

G

H

H

T

T

F

F

G

G

H

H

G

A

L

I

E

E

K

A

L

H

A

M

D

G

Y

Y

R

G

H

N

I

W

R

L

H

H

G

G

E

E

A

A

V

V

A

S

L

A

G

G

M

T

V

V

C

M

A

A

L

A

I

K

L

T

S

A

E

Q

M

L

L

Q

G

G

T

L

I

I

T

D

E

A

E

S

E

Q

L

F

Q

E

Q

R

G

I

L

L

N

A

V

I

L

L

S

K

R

K

F

-

K

-

F

-

R

-

K

-

G

-

L

-

V

-

E

-

K

A

H

H

F

L

K

P

V

V

H

R

P

T

A

P

Q

E

K

N

I

M

-

T

-

F

-

A

-

D

-

F

L

M

E

Q

S

H

M

M

H

M

S

R

D

D

K

K

K

K

K

V

V

L

D

A

S

G

A

E

L

L

R

R

F

L

V

V

L

L

L

P

D

T

G

S

L

I

G

G

K

T

A

S

F

A

L

V

H

V

R

K

E

-

T

G

L

V

D

P

D

E

E

A

L

V

I

I

T

A

G

Q

A

A

I

I

E

E

K

Y

A

C

K

R

T

T

N41 (≠ D32) binding NAD(+)
DGEQYK 70:75 (≠ ARETSK 61:66) binding NAD(+)
GVIGD 104:108 (≠ GVVGD 95:99) binding NAD(+)
TT 128:129 (= TT 119:120) binding NAD(+)
K141 (= K132) binding NAD(+)
KN 150:151 (= KN 141:142) binding NAD(+)
CLTT 168:171 (≠ WLNT 159:162) binding NAD(+)

5eksA Structure of 3-dehydroquinate synthase from acinetobacter baumannii in complex with NAD
42% identity, 86% coverage: 45:352/359 of query aligns to 55:349/355 of 5eksA

query
sites
5eksA

D

E

S

A

L

L

D

E

R

S

Q

L

G

G

F

K

I

T

W

V

K

A

E

T

L

C

V

I

I

L

P

P

A
x
D

R

G

E
|
E

T

K

S

Y

K
|
K

S

D

F

I

R

Q

T

H

A

L

M

N

K

L

L

I

Y

F

T

D

E

A

M

L

I

L

E

E

A

A

H

G

V

F

D

N

R

R

G

D

W

C

N

T

L

V

L

L

A

A

V

L

G

G

G
|
G

G
|
G

V
|
V

V

I

G

G

D
|
D

L

M

G

A

G

G

F

F

V

A

A

S

A

A

S

C

F

F

Y

Q

R
|
R

G

G

I

V

P

Y

V

F

I

V

Q

Q

L

V

P

P

T
|
T

T
|
T

L

L

L

L

A

S

M

Q

T

V

D
|
D

S
|
S

A

S

I

V

G

G

G

G

K
|
K

V

T

A

G

I

I

N

N

H

H

P

P

L

L

G

G

K

K

N

N

L

M

I

L

G

G

F

A

F

F

H

Q

M

Q

P

P

Q

Q

L

V

V

V

L

L

I

A

D

D

P

M

A

A

W

Q

L

L

N

N

T
|
T

L
|
L

P

P

E

E

R

R

E
|
E

I

L

Y

S

A

A

G

G

M

L

A

A

E
|
E

V

V

V

I

K

K

Y

Y

G

A

F

L

I

L

A

G

D

D

R

E

Q

D

F

F

L

L

S

V

Y

W

L

L

D

E

E

E

H

N

F

M

D

D

E

G

I

L

V

V

A

A

V

R

K

D

D

A

P

D

Y

L

V

L

T

A

Y

E

A

A

I

V

R

Y

T

R

S

S

A

C

M

A

I

H

K
|
K

A

A

D

R

V

I

V

V

E

A

K

N

D

D

F

E

K

K

E

E

E

-

S

-

G

-

L

-

R
|
R

A

A

T

L

L

L

N
|
N

F

L

G

G

H
|
H

T

T

F

F

G

G

H
|
H

G

A

L

I

E

E

K

S

L

Y

A

L

D

G

Y

Y

R

G

H

T

I

W

R

L

H
|
H

G

G

E

E

A

A

V

V

A

A

L

T

G

G

M

M

V

V

C

M

A

A

L

A

I

D

L

L

S

S

E

Q

M

R

L

L

G

G

T

W

I

I

T

S

E

N

E

E

E

D

L

V

Q

A

Q

R

G

T

L

K

N

K

V

I

L

I

S

Q

R

R

F

A

K

N

F

L

R

P

K

I

G

S

L

C

V

P

E

Q

K

I

H

-

F

-

K

-

V

-

H

-

P

P

A

L

Q

D

K

D

I

F

L

L

E

G

S

Y

M

M

H

A

S

H

D

D

K

K

K

K

K

-

V

-

D

-

S

V

A

Q

L

L

R

R

F

L

V

V

L

L

L

L

D

K

G

Q

L

L

G

G

K

Q

A

A

F

V

L

I

H

T

R

K

E

D

T

-

L

F

D

D

D

V

E

E

L

L

I

M

T

K

G

Q

A

A

I

I

active site: R120 (= R110), K142 (= K132), E184 (= E174), K226 (= K216), R237 (= R231), N241 (= N235), H244 (= H238), H248 (= H242), H261 (= H255)
binding magnesium ion: E184 (= E174), H244 (= H238), H261 (= H255)
binding nicotinamide-adenine-dinucleotide: D71 (≠ A61), E73 (= E63), K76 (= K66), G104 (= G94), G105 (= G95), V106 (= V96), D109 (= D99), T129 (= T119), T130 (= T120), D136 (= D126), S137 (= S127), K142 (= K132), T172 (= T162), L173 (= L163), E177 (= E167)

Sites not aligning to the query:

binding nicotinamide-adenine-dinucleotide: 42, 45

3okfA 2.5 angstrom resolution crystal structure of 3-dehydroquinate synthase (arob) from vibrio cholerae
38% identity, 93% coverage: 25:357/359 of query aligns to 35:359/360 of 3okfA

query
sites
3okfA

R

Q

K

K

T

V

V

V

V

I

L

V

F

T

D
x
N

E

H

N

T

T

V

R

A

K

P

L
|
L

I

Y

G

A

N

P

Q

A

I

I

L

I

D

S

S

L

L

L

D

D

R

H

Q

I

G

G

F

C

I

Q

W

H

K

A

E

L

L

L

V

E

I

L

P

P

A
x
D

R

G

E
|
E

T

Q

S

Y

K
|
K

S

T

F

L

R

E

T

T

A

F

M

N

K

T

L

V

Y

M

T

S

E

F

M

L

I

L

E

E

A

H

H

N

V

Y

D

S

R

R

G

D

W

V

N

V

L

V

L

I

A

A

V

L

G

G

G
|
G

G
|
G

V
|
V

V

I

G

G

D
|
D

L

L

G

V

G

G

F

F

V

A

A

A

A

A

S

C

F

Y

Y

Q

R
|
R

G

G

I

V

P

D

V

F

I

I

Q

Q

L

I

P

P

T
|
T

T
|
T

L

L

L
|
L

A

S

M

Q

T

V

D
|
D

S

S

A

S

I

V

G

G

G

G

K
|
K

V

T

A

A

I

V

N

N

H

H

P

P

L

L

G

G

K

K

N

N

L

M

I

I

G

G

F

A

F

F

H

Y

M

Q

P

P

Q

K

L

A

V

V

L

V

I

I

D

D

P

T

A

D

W

C

L

L

N

T

T
|
T

L
|
L

P

P

E

A

R

R

E
|
E

I

F

Y

A

A

A

G

G

M

M

A

A

E
|
E

V

V

V

I

K

K

Y

Y

G

G

F

I

I

I

A

Y

D

D

R

S

Q

A

F

F

L

F

S

D

Y

W

L

L

D

E

E

A

H

Q

F

M

D

E

E

A

I

L

V

Y

A

A

V

L

K

D

D

E

P

Q

Y

A

V

L

T

T

Y

Y

A

A

I

I

R

A

T

R

S

C

A

C

M

Q

I

I

K
|
K

A

A

D

E

V

V

V

V

E

A

K

Q

D

D

F

-

K

-

E

-

E

E

S

K

G

G

L

I

R
|
R

A

A

T

L

L

L

N
|
N

F

L

G

G

H
|
H

T

T

F

F

G

G

H
|
H

G

A

L

I

E

E

K

A

L

H

A

M

D

G

Y

Y

R

G

H

N

I

W

R

L

H
|
H

G

G

E

E

A

A

V

V

A

S

L

A

G

G

M

T

V

V

C

M

A

A

L

A

I

K

L

T

S

A

E

Q

M

L

L

Q

G

G

T

L

I

I

T

D

E

A

E

S

E

Q

L

F

Q

E

Q

R

G

I

L

L

N

A

V

I

L

L

S

K

R

K

F

-

K

-

F

-

R

-

K

-

G

-

L

-

V

-

E

-

K

A

H

H

F

L

K

P

V

V

H

R

P

T

A

P

Q

E

K

N

I

M

-

T

-

F

-

A

-

D

-

F

L

M

E

Q

S

H

M

M

H

M

S

R

D

D

K

K

K

K

K

V

V

L

D

A

S

G

A

E

L

L

R

R

F

L

V

V

L

L

L

P

D

T

G

S

L

I

G

G

K

T

A

S

F

A

L

V

H

V

R

K

E

-

T

G

L

V

D

P

D

E

E

A

L

V

I

I

T

A

G

Q

A

A

I

I

E

E

K

Y

A

C

K

R

T

T

active site: R120 (= R110), K142 (= K132), E184 (= E174), K226 (= K216), R238 (= R231), N242 (= N235), H245 (= H238), H249 (= H242), H262 (= H255)
binding nicotinamide-adenine-dinucleotide: N42 (≠ D32), L48 (= L38), D71 (≠ A61), E73 (= E63), K76 (= K66), G104 (= G94), G105 (= G95), V106 (= V96), D109 (= D99), T129 (= T119), T130 (= T120), L132 (= L122), D136 (= D126), T172 (= T162), L173 (= L163), E177 (= E167)

6lk2A Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+, NAD and chlorogenic acid (see paper)
40% identity, 92% coverage: 25:355/359 of query aligns to 36:357/357 of 6lk2A

query
sites
6lk2A

R

Q

K

R

T

A

V

M

V

I

L

V

F

T

D

N

E

E

N

T

T
x
L

R

A

K

P

L

L

I

Y

G

L

N

H

Q

K

I

I

L

Q

D

T

S

V

L

L

D

E

R

V

Q

S

G

G

F

V

I

K

W

V

K

D

E

S

L

I

V

I

I

L

P

P

A
x
D

R

G

E
|
E

T

Q

S

Y

K
|
K

S

S

F

L

R

F

T

I

A

M

M

N

K

D

L

V

Y

F

T

T

E

A

M

L

I

L

E

E

A

K

H

H

V

H

D

N

R

R

G

D

W

T

N

T

L

L

L

I

A

A

V

L

G

G

G
|
G

G
|
G

V
|
V

V

I

G

G

D
|
D

L

L

G

T

G

G

F

F

V

A

A

A

A

A

S

S

F

Y

Y

Q

R
|
R

G

G

I

V

P

R

V

F

I

I

Q

Q

L

V

P

P

T
|
T

T
|
T

L

L

L
|
L

A

S

M

Q

T

V

D
|
D

S
|
S

A

S

I

V

G

G

G

G

K
|
K

V

T

A

A

I

V

N

N

H

H

P

P

L

L

G

G

K

K

N

N

L

M

I

I

G

G

F

A

F

F

H

Y

M

Q

P

P

Q

A

L

S

V

V

L

V

I

I

D

D

P

L

A

D

W
x
C

L

L

N

K

T
|
T

L
|
L

P
|
P

E

K

R

R

E
|
E

I

L

Y

S

A

S

G

G

M

L

A

A

E
|
E

V

V

V

I

K

K

Y

Y

G

G

F

I

I

I

A

L

D

D

R

G

Q

E

F

F

L

F

S

S

Y

W

L

L

D

E

E

E

H

N

F

I

D

D

E

A

I

L

V

M

A

A

V

L

K

D

D

N

P

Q

Y

A

V

M

T

A

Y

Y

A

C

I

I

R

R

T

R

S

C

A

C

M

E

I

L

K
|
K

A

A

D

Q

V

V

V

V

E

A

K

A

D

D

F

-

K

-

E

-

E

-

S

E

G

G

L

L

R
|
R

A

A

T

L

L

L

N
|
N

F

L

G

G

H
|
H

T
|
T

F

F

G

G

H
|
H

G

A

L

I

E

E

K

A

L

E

A

M

D

G

Y

Y

R

G

H

V

I

W

R

L

H
|
H

G

G

E

E

A

A

V

V

A

A

L

A

G

G

M

M

V

V

C

M

A

A

L

A

I

K

L

T

S

A

E

E

M

L

L

I

G

G

T

Q

I

F

T

T

E

P

E

E

E

Q

L

T

Q

D

Q

R

G

V

L

I

N

A

V

L

L

L

S

K

R

R

F

A

K

E

F

L

R

P

K

-

G

-

L

-

V

V

E

T

K

G

H

P

F

A

K

K

V

M

H

Q

P

P

A

-

Q

D

K

D

I

Y

L

L

E

P

S

H

M

M

H

M

S

R

D

D

K

K

K

K

K

V

V

M

D

G

S

G

A

K

L

L

R

H

F

L

V

I

L

L

L

P

D

T

G

T

L

I

G

G

K

H

A

S

F

E

L

M

H

-

R

R

E

S

T

D

L

V

D

D

D

A

E

S

L

T

I

V

T

T

G

A

A

A

I

I

E

S

K

A

A

C

active site: R121 (= R110), K143 (= K132), E185 (= E174), K227 (= K216), R238 (= R231), N242 (= N235), H245 (= H238), H249 (= H242), H262 (= H255)
binding (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid: D137 (= D126), E185 (= E174), K227 (= K216), R238 (= R231), N242 (= N235), H245 (= H238), T246 (= T239), H249 (= H242), H262 (= H255)
binding magnesium ion: E185 (= E174), H245 (= H238), H262 (= H255)
binding nicotinamide-adenine-dinucleotide: L46 (≠ T35), D72 (≠ A61), E74 (= E63), K77 (= K66), G105 (= G94), G106 (= G95), V107 (= V96), D110 (= D99), T130 (= T119), T131 (= T120), L133 (= L122), D137 (= D126), S138 (= S127), C170 (≠ W159), T173 (= T162), L174 (= L163), P175 (= P164), E178 (= E167)

5hvnA 3.0 angstrom crystal structure of 3-dehydroquinate synthase (arob) from francisella tularensis in complex with NAD.
40% identity, 84% coverage: 43:342/359 of query aligns to 60:342/354 of 5hvnA

query
sites
5hvnA

I

L

L

V

D

D

S

D

L

L

D

D

R

V

Q

R

G

T

F

C

I

I

W

L

K

E

E
x
D

L

-

V

-

I

-

P

-

A

-

R

G

E
|
E

T

Q

S

Y

K
|
K

S

S

F

Q

R

Q

T

S

A

L

M

D

K

K

L

I

Y

L

T

S

E

T

M

L

I

L

E

E

A

N

H

H

V

F

D

T

R

R

G

N

W

S

N

T

L

V

L

L

-

V

A

A

V

L

G

G

G
|
G

G
|
G

V
|
V

V

I

G

G

D
|
D

L

I

G

T

G

G

F

F

V

A

A

A

A

A

S

I

F

Y

Y

Q

R
|
R

G

G

I

I

P

D

V

F

I

I

Q

Q

L

I

P

P

T
|
T

T
|
T

L

L

L
|
L

A

S

M

Q

T

V

D
|
D

S

S

A

S

I

V

G

G

G

G

K
|
K

V

T

A

A

I

I

N

N

H

H

P

Q

L

L

G

G

K

K

N

N

L

M

I

I

G

G

F

A

F

F

H

Y

M

Q

P

P

Q

K

L

V

V

V

L

Y

I

T

D

S

P

I

A

E

W
x
F

L

Y

N

K

T
|
T

L
|
L

P

P

E

Q

R

R

E
|
E

I

Y

Y

I

A

A

G

G

M

M

A

A

E
|
E

V

V

V

V

K

K

Y

Y

G

A

F

F

I

I

A

S

D

-

R

K

Q

D

F

F

L

Y

S

L

Y

W

L

L

D

D

E

S

H

N

F

R

D

D

E

K

I

I

V

L

A

A

V

K

K

D

D

S

P

V

Y

T

V

L

T

I

Y

E

A

M

I

V

R

K

T

R

S

S

A

C

M

Q

I

I

K
|
K

A

A

D

Q

V

V

V

V

E

A

K

M

D

D

F

-

K

-

E

-

E

-

S

T

G

G

L

A

R
|
R

A

A

T

I

L

L

N
|
N

F

F

G

G

H
|
H

T

T

F

F

G

G

H
|
H

G

A

L

I

E

E

K

K

L

C

A

Q

D

N

Y

Y

R

R

H

G

I

L

R

K

H
|
H

G

G

E

E

A

A

V

V

A

G

L

V

G

G

M

M

V

A

C

Q

A

A

L

I

I

D

L

F

S

S

E

H

M

Y

L

L

G

G

T

L

I

I

T

S

E

Q

E

Q

E

Q

L

A

Q

K

Q

D

G

F

L

N

N

D

V

F

L

I

S

V

R

S

F

F

-

G

-

I

-

S

-

I

K

D

F

F

R

P

K

N

G

D

L

I

V

C

E

Q

K

K

H

E

F

F

K

-

V

-

H

-

P

-

A

-

Q

-

K

-

I

-

L

L

E

E

S

A

M

M

H

L

S

L

D

D

K

N

K

K

K

E

V

-

D

-

S

-

A

-

L

L

R

K

F

F

V

I

L

L

L

I

D

E

G

N

L

I

G

G

K

S

A

L

F

S

L

L

H

Q

R

K

E

Q

T

S

active site: R123 (= R110), K145 (= K132), E187 (= E174), K228 (= K216), R239 (= R231), N243 (= N235), H246 (= H238), H250 (= H242), H263 (= H255)
binding nicotinamide-adenine-dinucleotide: D73 (≠ E56), E75 (= E63), K78 (= K66), G107 (= G94), G108 (= G95), V109 (= V96), D112 (= D99), T132 (= T119), T133 (= T120), L135 (= L122), D139 (= D126), K145 (= K132), F172 (≠ W159), T175 (= T162), L176 (= L163), E180 (= E167)

Sites not aligning to the query:

binding nicotinamide-adenine-dinucleotide: 45, 51

P56081 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
39% identity, 83% coverage: 58:354/359 of query aligns to 58:341/343 of P56081

query
sites
P56081

V

V

I

I

P

E

A
x
S

R
x
G

E
|
E

T
x
K

S
x
Y

K
|
K

S

N

F

F

R

H

T

S

A

L

M

E

K

R

L

I

Y

L

T

N

E

N

M

A

I

F

E

E

A

M

H

Q

V

L

D

N

R

R

G

H

W

S

N

L

L

M

L

I

A

A

V

L

G

G

G

G

G
|
G

V
|
V

V

I

G

S

D

D

L

M

G

V

G

G

F

F

V

A

A

S

A

S

S

I

F

Y

Y

F

R

R

G

G

I

I

P

D

V

F

I

I

Q

N

L

I

P

P

T
|
T

T
|
T

L

L

L

L

A

A

M

Q

T

V

D

D

S

A

A

S

I

V

G

G

G

G

K

K

V

T

A

G

I

I

N

N

H

T

P

P

L

Y

G

G

K

K

N
|
N

L

L

I

I

G

G

F

S

F

F

H

H

M

Q

P

P

Q

K

L

A

V

V

L

Y

I

M

D

D

P

L

A

A

W
x
F

L
|
L

N
x
K

T
|
T

L

L

P

E

E

K

R

R

E

E

I

F

Y

Q

A

A

G

G

M

V

A

A

E

E

V

I

V

I

K

K

Y

M

G

A

F

V

I

C

A

F

D

D

R

K

Q

N

F

L

L

V

S

E

Y

R

L

L

D

-

E

-

H

-

F

-

D

-

E

E

I

T

V

K

A

D

V

L

K

K

D

D

P

C

Y

-

V

L

T

E

Y

E

A

V

I

I

R

F

T

Q

S

S

A

V

M

N

I

I

K

K

A

A

D

Q

V

V

V

V

E

V

K

Q

D

D

F

E

K

K

E

E

E

Q

S

N

G

-

L

I

R

R

A

A

T

G

L

L

N

N

F

Y

G

G

H

H

T

T

F

F

G

G

H

H

G

A

L

I

E

E

K

K

L

E

A

T

D

D

Y

Y

R

E

H

R

I

F

R

L

H

H

G

G

E

E

A

A

V

I

A

A

L

I

G

G

M

M

V

R

C

M

A

A

L

N

I

D

L

L

S

A

E

L

M

S

L

L

G

G

T

M

I

L

T

T

E

L

E

K

E

E

L

Y

Q

E

Q

R

G

I

L

E

N

N

V

L

L

L

S

K

R

K

F

F

K

D

F

L

R

I

K

-

G

-

L

-

V

-

E

-

K

F

H

H

F

Y

K

K

V

I

H

L

P

D

A

L

Q

Q

K

K

I

F

L

Y

E

E

S

R

M

L

H

F

S

L

D

D

K

K

K

K

K

S

V

E

D

N

S

K

A

T

L

I

R

K

F

F

V

I

L

L

L

P

D

K

G

G

L

V

G

G

K

-

A

A

F

F

L

E

H

V

R

A

E

S

T

H

L

I

D

P

D

K

E

E

L

T

I

I

T

I

G

K

A

V

I

L

E

E

K

K

SGEKYK 61:66 (≠ ARETSK 61:66) binding NAD(+)
GV 95:96 (= GV 95:96) binding NAD(+)
TT 119:120 (= TT 119:120) binding NAD(+)
N142 (= N142) binding NAD(+)
FLKT 159:162 (≠ WLNT 159:162) binding NAD(+)

P9WPX9 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
38% identity, 82% coverage: 41:335/359 of query aligns to 53:340/362 of P9WPX9

query
sites
P9WPX9

N

E

Q

E

I

I

L

R

D

K

S

R

L

L

D

A

R

G

Q

K

G

G

F

V

I

D

W

A

K

H

E

R

L

I

V

E

I

I

P

P

A
x
D

R
x
A

E
|
E

T
x
A

S
x
G

K
|
K

S

D

F

L

R

P

T

V

A

V

M

G

K

F

L

I

Y

W

T

E

E

V

M

L

I

G

E

R

A

I

H

G

V

I

D

G

R

R

G

K

W

D

N

A

L

L

L

V

A

S

V

L

G

G

G

G

G
|
G

V
x
A

V
x
A

G
x
T

D
|
D

L

V

G

A

G

G

F

F

V

A

A

A

A

A

S

T

F

W

Y

L

R

R

G

G

I

V

P

S

V

I

I

V

Q

H

L

L

P

P

T
|
T

T
|
T

L

L

L

L

A

G

M

M

T

V

D

D

S

A

A

A

I

V

G

G

G

G

K
|
K

V

T

A

G

I

I

N

N

H

T

P

D

L

A

G

G

K

K

N

N

L

L

I

V

G

G

F

A

F

F

H

H

M

Q

P

P

Q

L

L

A

V

V

L

L

I

V

D

D

P

L

A

A

W
x
T

L
|
L

N
x
Q

T
|
T

L

L

P

P

E

R

R

D

E

E

I

M

Y

I

A

C

G

G

M

M

A

A

E

E

V

V

V

V

K

K

Y

A

G

G

F

F

I

I

A

A

D

D

R

P

Q

V

F

I

L

L

S

D

Y

L

L

I

D

E

E

A

H

D

F

P

D

Q

E

A

I

A

V

L

A

D

V

P

K

A

D

G

P

D

Y

V

V

L

T

P

Y

E

A

L

I

I

R

R

T

R

S

A

A

I

M

T

I

V

K

K

A

A

D

E

V

V

V

V

E

A

K

A

D

D

F

E

K

K

E

-

E

E

S

S

G

E

L

L

R

R

A

E

T

I

L

L

N

N

F

Y

G

G

H

H

T

T

F

L

G

G

H

H

G

A

L

I

E

E

K

R

L

R

A

E

D

R

Y

Y

R

R

H

W

I

-

R

R

H

H

G

G

E

A

A

A

V

V

A

S

L

V

G

G

M

L

V

V

C

F

A

A

L

A

I

E

L

L

S

A

E

R

M

L

L

A

G

G

T

R

I

L

T

D

E

D

E

A

E

T

L

A

Q

Q

Q

R

G

H

L

R

N

T

V

I

L

L

S

S

R

S

F

L

K

G

F

L

R

-

K

-

G

-

L

-

V

-

E

P

K

V

H

S

F

Y

K

D

V

P

H

D

P

A

A

L

Q

P

K

Q

I

L

L

L

E

E

S

I

M

M

H

A

S

G

D

D

K

K

K

K

K

T

V

R

D

A

S

G

A

V

L

L

R

R

F

F

V

V

L

V

L

L

D

D

G

G

L

L

G

A

K

K

DAEAGK 73:78 (≠ ARETSK 61:66) binding NAD(+)
GAATD 107:111 (≠ GVVGD 95:99) binding NAD(+)
TT 131:132 (= TT 119:120) binding NAD(+)
K144 (= K132) binding NAD(+)
TLQT 171:174 (≠ WLNT 159:162) binding NAD(+)

Sites not aligning to the query:

45 binding NAD(+)

6hqvA Pentafunctional arom complex from chaetomium thermophilum (see paper)
38% identity, 80% coverage: 59:346/359 of query aligns to 72:377/1555 of 6hqvA

query
sites
6hqvA

I

I

P

P

A

P

R

G

E
|
E

T

Y

S

S

K
|
K

S

S

F

R

R

E

T

T

A

K

M

A

K

E

L

I

Y

E

T

D

E

W

M

M

I

L

E

S

A

H

H

A

V

C

D

T

R

R

G

D

W

T

N

V

L

I

L

I

A

A

V

L

G

G

G
|
G

G
|
G

V
|
V

V

I

G

G

D
|
D

L

M

G

I

G

G

F

Y

V

V

A

A

A

A

S

T

F

F

Y

M

R
|
R

G

G

I

V

P

R

V

F

I

V

Q

Q

L

V

P

P

T
|
T

T
|
T

L

L

L
|
L

A

A

M

M

T

V

D
|
D

S
|
S

A

S

I

I

G

G

G

G

K
|
K

V

T

A

A

I

I

N

D

H

T

P

P

L

M

G

G

K
|
K

N

N

L

L

I

I

G

G

F

A

F

F

H

W

M

Q

P

P

Q

R

L

R

V

I

L

Y

I

I

D

D

P

L

A

A

W

F

L

L

N

E

T
|
T

L
|
L

P
|
P

E

V

R

R

E
|
E

I

F

Y

I

A

N

G

G

M

M

A

A

E
|
E

V

V

V

I

K

K

Y

T

G

A

F

A

I

I

A

W

D

N

R

E

Q

T

F

E

L

F

S

T

Y

A

L

L

D

E

E

E

H

N

F

A

D

A

E

A

I

I

V

L

-

E

A

A

V

V

K

R

D

S

P

K

Y

A

V

S

T

S

Y

P

A

A

I

A

R

R

T

L

-

A

-

P

-

I

-

R

-

H

-

I

-

L

-

K

-

R

-

I

-

V

-

L

-

G

S

S

A

A

M

R

I

V

K
|
K

A

A

D

E

V

V

V

V

E

S

K

A

D

D

F

-

K

E

E

R

E
|
E

S

G

G

G

L

L

R
|
R

A

N

T

L

L

L

N
|
N

F

F

G

G

H
|
H

T

S

F

I

G

G

H
|
H

G

A

L

Y

E

E

K

A

L

I

A

L

D

-

Y

A

R

P

H

Q

I

V

R

L

H
|
H

G

G

E

E

A

C

V

V

A

A

L

I

G

G

M

M

V

V

C

K

A

E

L

A

I

E

L

L

S

A

E

R

M

Y

L

L

G

G

T

V

I

L

T

R

E

P

E

S

E

A

L

V

Q

A

Q

R

G

L

L

T

N

K

V

L

L

I

S

A

R

S

F

Y

K

D

F

L

R

P

K

T

G

S

L

V

V

H

E

D

K

K

H

R

F

I

-

A

-

K

-

L

-

S

-

A

-

G

K

K

V

E

H

C

P

P

A

V

Q

D

K

V

I

L

L

L

E

Q

S

K

M

M

H

A

S

V

D

D

K

K

K

K

K

N

V

E

D

G

S

R

A

K

L

K

R

K

F

I

V

V

L

L

L

L

D

S

G

A

L

I

G

G

K

K

A

T

F

Y

L

E

H

K

R

K

E

A

T

T

L

V

D

V

D

D

E

D

active site: R123 (= R110), K145 (= K132), E187 (= E174), K243 (= K216), E253 (= E227), R257 (= R231), N261 (= N235), H264 (= H238), H268 (= H242), H280 (= H255)
binding glutamic acid: D139 (= D126), K145 (= K132), E187 (= E174), K243 (= K216), R257 (= R231), H264 (= H238), H280 (= H255)
binding nicotinamide-adenine-dinucleotide: E76 (= E63), K79 (= K66), G107 (= G94), G108 (= G95), V109 (= V96), D112 (= D99), T132 (= T119), T133 (= T120), L135 (= L122), D139 (= D126), S140 (= S127), K145 (= K132), K154 (= K141), T175 (= T162), L176 (= L163), P177 (= P164), E180 (= E167), H280 (= H255)
binding zinc ion: E187 (= E174), H264 (= H238), H280 (= H255)

Sites not aligning to the query:

binding (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid: 1060, 1062, 1181, 1224, 1232, 1242, 1243
binding nicotinamide-adenine-dinucleotide: 42, 44, 45
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: 413, 562, 563, 874, 923, 924, 979, 1277, 1279, 1323, 1327, 1348, 1368, 1526

6c5cA Crystal structure of the 3-dehydroquinate synthase (dhqs) domain of aro1 from candida albicans sc5314 in complex with nadh (see paper)
39% identity, 77% coverage: 63:337/359 of query aligns to 83:368/385 of 6c5cA

query
sites
6c5cA

E
|
E

T

N

S

N

K
|
K

S

N

F

R

R

A

T

T

A

K

M

A

K

A

L

V

Y

E

T

D

E

F

M

L

I

L

E

Q

A

Q

H

G

V

C

D

T

R

R

G

D

W

T

N

V

L

I

L

L

A

A

V

V

G

G

G
|
G

G
|
G

V
|
V

V

I

G

G

D
|
D

L

M

G

I

G

G

F

F

V

V

A

A

A

A

S

T

F

F

Y

M

R
|
R

G

G

I

V

P

R

V

V

I

V

Q

Q

L

V

P

P

T
|
T

T
|
T

L

L

L

L

A

A

M

M

T

V

D
|
D

S
|
S

A

S

I

V

G

G

G

G

K
|
K

V

T

A

A

I

I

N

D

H

T

P

P

L

L

G

G

K

K

N

N

L

F

I

I

G

G

F

A

F

F

H

H

M

Q

P

P

Q

E

L

Y

V

V

L

F

I

C

D

D

P

V

A

S

W
x
F

L

L

N

E

T
|
T

L
|
L

P

P

E

A

R

R

E
x
Q

I

F

Y

I

A

N

G

G

M

M

A

A

E
|
E

V

V

V

V

K

K

Y

T

G

A

F

A

I

I

A

W

D

N

R

E

Q

E

F

E

L

F

S

T

Y

R

L

L

D

E

-

N

-

F

-

S

E

K

H

K

F

F

D

L

E

S

I

V

V

V

A

T

V

S

K

K

D

K

P

P

-

D

-

L

-

Q

-

S

-

I

-

K

-

A

Y

E

V

L

T

V

Y

K

A

T

I

V

R

L

T

E

S

S

A

V

M

R

I

V

K
|
K

A

A

D

G

V

V

V

V

E

S

K

S

D

D

F

-

K

-

E

-

E
|
E

S

A

G

G

L

L

R
|
R

A

N

T

L

L

L

N
|
N

F

F

G

G

H
|
H

T

T

F

I

G

G

H
|
H

G

A

L

I

E

E

K

A

L

V

A

L

D

T

Y

P

R

E

H

A

I

L

R

-

H
|
H

G

G

E

E

A

C

V

V

A

S

L

I

G

G

M

M

V

I

C

K

A

E

L

A

I

E

L

L

S

S

E

R

M

Y

L

L

G

G

T

I

I

L

T

P

E

P

E

V

E

A

L

V

Q

A

Q

R

G

L

L

S

N

K

V

C

L

L

S

V

R

A

F

Y

K

G

F

L

R

P

K

V

G

S

L

I

V

D

E

D

K

K

H

E

F

F

-

L

-

K

K

K

V

V

H

G

P

P

A

K

Q

R

K

H

-

Y

-

V

-

E

-

I

-

D

-

I

I

L

L

L

E

K

S

K

M

M

H

A

S

I

D

D

K

K

K

K

K

-

V

-

D

-

S

N

A

D

L

I

R

R

F

C

V

V

L

L

L

L

D

E

G

K

L

I

G

G

K

K

A

C

F

Y

active site: R130 (= R110), K152 (= K132), E194 (= E174), K246 (= K216), E254 (= E227), R258 (= R231), N262 (= N235), H265 (= H238), H269 (= H242), H281 (= H255)
binding nicotinamide-adenine-dinucleotide: E83 (= E63), K86 (= K66), G114 (= G94), G115 (= G95), V116 (= V96), D119 (= D99), T139 (= T119), T140 (= T120), D146 (= D126), S147 (= S127), F179 (≠ W159), T182 (= T162), L183 (= L163), Q187 (≠ E167)

Sites not aligning to the query:

binding nicotinamide-adenine-dinucleotide: 45, 47, 48

3qbeA Crystal structure of the 3-dehydroquinate synthase (arob) from mycobacterium tuberculosis
37% identity, 82% coverage: 41:335/359 of query aligns to 48:331/352 of 3qbeA

query
sites
3qbeA

N

E

Q

E

I

I

L

R

D

K

S

R

L

L

D

A

R

G

Q

K

G

G

F

V

I

D

W

A

K

H

E

R

L

I

V

E

I

I

P

P

A

D

R

A

E

E

T

A

S

G

K

K

S

D

F

L

R

P

T

V

A

V

M

G

K

F

L

I

Y

W

T

E

E

V

M

L

I

G

E

R

A

I

H

G

V

I

D

G

R

R

G

K

W

D

N

A

L

L

L

V

A

S

V

L

G

G

G

G

G

G

V

A

V

A

G

T

D

D

L

V

G

A

G

G

F

F

V

A

A

A

A

A

S

T

F

W

Y

L

R
|
R

G

G

I

V

P

S

V

I

I

V

Q

H

L

L

P

P

T

T

T

T

L

L

L

L

A

G

M

M

T

V

D

D

S

A

A

A

I

V

G

G

G

G

K
|
K

V

T

A

G

I

I

N

N

H

T

P

D

L

A

G

G

K

K

N

N

L

L

I

V

G

G

F

A

F

F

H

H

M

Q

P

P

Q

L

L

A

V

V

L

L

I

V

D

D

P

L

A

A

W

T

L

L

N

Q

T

T

L

L

P

P

E

R

R

D

E

E

I

M

Y

I

A

C

G

G

M

M

A

A

E
|
E

V

V

V

V

K

K

Y

A

G

G

F

F

I

I

A

A

D

D

R

P

Q

V

F

I

L

L

S

D

Y

L

L

I

D

E

E

A

H

D

F

P

D

Q

E

A

I

A

V

L

A

D

V

P

K

A

D

G

P

D

Y

V

V

L

T

P

Y

E

A

L

I

I

R

R

T

R

S

A

A

I

M

T

I

V

K
|
K

A

A

D

E

V

V

V

V

E

A

K

A

D

-

F

-

K

-

E

-

E

-

S

S

G

E

L

L

R
|
R

A

E

T

I

L

L

N
|
N

F

Y

G

G

H
|
H

T

T

F

L

G

G

H
|
H

G

A

L

I

E

E

K

R

L

R

A

E

D

R

Y

Y

R

R

H

W

I

-

R

R

H
|
H

G

G

E

A

A

A

V

V

A

S

L

V

G

G

M

L

V

V

C

F

A

A

L

A

I

E

L

L

S

A

E

R

M

L

L

A

G

G

T

R

I

L

T

D

E

D

E

A

E

T

L

A

Q

Q

Q

R

G

H

L

R

N

T

V

I

L

L

S

S

R

S

F

L

K

G

F

L

R

-

K

-

G

-

L

-

V

-

E

P

K

V

H

S

F

Y

K

D

V

P

H

D

P

A

A

L

Q

P

K

Q

I

L

L

L

E

E

S

I

M

M

H

A

S

G

D

D

K

K

K

K

K

T

V

R

D

A

S

G

A

V

L

L

R

R

F

F

V

V

L

V

L

L

D

D

G

G

L

L

G

A

K

K

active site: R117 (= R110), K139 (= K132), E181 (= E174), K223 (= K216), R233 (= R231), N237 (= N235), H240 (= H238), H244 (= H242), H256 (= H255)
binding zinc ion: E181 (= E174), H240 (= H238), H256 (= H255)

3clhA Crystal structure of 3-dehydroquinate synthase (dhqs)from helicobacter pylori (see paper)
41% identity, 65% coverage: 58:291/359 of query aligns to 55:272/308 of 3clhA

query
sites
3clhA

V

V

I

I

P

E

A
x
S

R

G

E
|
E

T

K

S

Y

K
|
K

S

N

F

F

R

H

T

S

A

L

M

E

K

R

L

I

Y

L

T

N

E

N

M

A

I

F

E

E

A

M

H

Q

V

L

D

N

R

R

G

H

W

S

N

L

L

M

L

I

A

A

V

L

G

G

G
|
G

G
|
G

V
|
V

V

I

G

S

D
|
D

L

M

G

V

G

G

F

F

V

A

A

S

A

S

S

I

F

Y

Y

F

R
|
R

G

G

I

I

P

D

V

F

I

I

Q

N

L

I

P

P

T
|
T

T
|
T

L

L

L
|
L

A

A

M

Q

T

V

D
|
D

S
x
A

A

S

I

V

G

G

G

G

K
|
K

V

T

A

G

I

I

N

N

H

T

P

P

L

Y

G

G

K

K

N
|
N

L

L

I

I

G

G

F

S

F

F

H

H

M

Q

P

P

Q

K

L

A

V

V

L

Y

I

M

D

D

P

L

A

A

W

F

L

L

N

K

T
|
T

L
|
L

P

E

E

K

R

R

E
|
E

I

F

Y

Q

A

A

G

G

M

V

A

A

E
|
E

V

I

V

I

K

K

Y

M

G

A

F

V

I

C

A

F

D

D

R

K

Q

N

F

L

L

V

S

E

Y

R

L

L

D

-

E

-

H

-

F

-

D

-

E

E

I

T

V

K

A

D

V

L

K

K

D

D

P

C

Y

-

V

L

T

E

Y

E

A

V

I

I

R

F

T

Q

S

S

A

V

M

N

I

I

K
|
K

A

A

D

Q

V

V

V

V

E

-

K

-

D

-

F

-

K

-

E

-

E

-

S

-

G

-

L

-

R
|
R

A

A

T

G

L

L

N
|
N

F

Y

G

G

H
|
H

T

T

F

F

G

G

H
|
H

G

A

L

I

E

E

K

K

L

E

A

T

D

D

Y

Y

R

E

H

R

I

F

R

L

H
|
H

G

G

E

E

A

A

V

I

A

A

L

I

G

G

M

M

V

R

C

M

A

A

L

N

I

D

L

L

S

A

E

L

M

S

L

L

G

G

T

M

I

L

T

T

E

L

E

K

E

E

L

Y

Q

E

Q

R

G

I

L

E

N

N

V

L

L

L

S

K

R

K

F

F

active site: R107 (= R110), K129 (= K132), E171 (= E174), K207 (= K216), R212 (= R231), N216 (= N235), H219 (= H238), H223 (= H242), H236 (= H255)
binding nicotinamide-adenine-dinucleotide: S58 (≠ A61), E60 (= E63), K63 (= K66), G91 (= G94), G92 (= G95), V93 (= V96), D96 (= D99), T116 (= T119), T117 (= T120), L119 (= L122), D123 (= D126), A124 (≠ S127), K129 (= K132), N139 (= N142), T159 (= T162), L160 (= L163), E164 (= E167)

Sites not aligning to the query:

binding nicotinamide-adenine-dinucleotide: 33, 34, 38

1dqsA Crystal structure of dehydroquinate synthase (dhqs) complexed with carbaphosphonate, NAD+ and zn2+ (see paper)
37% identity, 79% coverage: 60:343/359 of query aligns to 75:371/381 of 1dqsA

query
sites
1dqsA

P

P

A

P

R

G

E
|
E

T

V

S

S

K
|
K

S

S

F

R

R

Q

T

T

A

K

M

A

K

D

L

I

Y

E

T

D

E

W

M

M

I

L

E

S

A

Q

H

N

V

P

D

P

R

C

G

G

W

R

N

D

-

T

-

V

L

V

L

I

A

A

V

L

G

G

G
|
G

G
|
G

V
|
V

V

I

G

G

D
|
D

L

L

G

T

G

G

F

F

V

V

A

A

A

S

S

T

F

Y

Y

M

R
|
R

G

G

I

V

P

R

V

Y

I

V

Q

Q

L

V

P

P

T
|
T

T
|
T

L

L

L
|
L

A

A

M

M

T

V

D
|
D

S
|
S

A

S

I

I

G

G

G

G

K
|
K

V

T

A

A

I

I

N

D

H

T

P

P

L

L

G

G

K
|
K

N
|
N

L

L

I

I

G

G

F

A

F

I

H

W

M

Q

P

P

Q

T

L

K

V

I

L

Y

I

I

D

D

P

L

A

E

W

F

L

L

N

E

T
|
T

L

L

P
|
P

E

V

R

R

E
|
E

I

F

Y

I

A

N

G

G

M

M

A

A

E
|
E

V

V

V

I

K

K

Y

T

G

A

F

A

I

I

A

S

D

S

R

E

Q

E

F

E

L

F

S

T

Y

A

L

L

D

E

E

E

H

N

F

A

D

E

E

T

I

I

V

L

-

K

A

A

V

V

K

R

D

R

P

R

Y

F

-

E

-

G

-

T

-

E

-

E

-

I

V

L

T

K

Y

A

A

R

I

I

R

L

T

A

S

S

A

A

M

R

I

H

K
|
K

A

A

D

Y

V

V

V

V

E

S

K

A

D

D

F

-

K

E

E

R

E
|
E

S

G

G

G

L

L

R
|
R

A

N

T

L

L
|
L

N
|
N

F

W

G

G

H
|
H

T

S

F

I

G

G

H
|
H

G

A

L

I

E

E

K

A

L

I

A

L

D

T

Y

-

R

P

H

Q

I

I

R

L

H
|
H

G

G

E

E

A

C

V

V

A

A

L

I

G

G

M

M

V

V

C

K

A

E

L

A

I

E

L

L

S

A

E

R

M

H

L

L

G

G

T

I

I

L

T

K

E

G

E

V

E

A

L

V

Q

S

Q

R

G

I

L

V

N

K

V

C

L

L

S

A

R

A

F

Y

-

G

-

L

-

P

-

T

-

S

-

L

-

K

-

D

-

A

K

R

F

I

R

R

K

K

G

L

L

T

V

A

E

G

K

K

H

H

F

C

K

S

V

V

H

-

P

-

A

-

Q

D

K

Q

I

L

L

M

E

F

S

N

M

M

H

A

S

L

D

D

K
|
K

K

K

K

N

V

D

D

G

S

P

A

K

L

K

R

K

F

I

V

V

L

L

L

L

D

S

G

A

L

I

G

G

K

T

A

P

F

Y

L

E

H

T

R

R

E

A

T

S

L

V

active site: R127 (= R110), K149 (= K132), E191 (= E174), K240 (= K216), E250 (= E227), R254 (= R231), N258 (= N235), H261 (= H238), H265 (= H242), H277 (= H255)
binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: D143 (= D126), K149 (= K132), N159 (= N142), E191 (= E174), K240 (= K216), R254 (= R231), L257 (= L234), N258 (= N235), H261 (= H238), H265 (= H242), H277 (= H255), K346 (= K318)
binding nicotinamide-adenine-dinucleotide: E78 (= E63), K81 (= K66), G111 (= G94), G112 (= G95), V113 (= V96), D116 (= D99), T136 (= T119), T137 (= T120), L139 (= L122), D143 (= D126), S144 (= S127), K158 (= K141), T179 (= T162), P181 (= P164), E184 (= E167), H277 (= H255)
binding zinc ion: E191 (= E174), H261 (= H238), H277 (= H255)

Sites not aligning to the query:

binding nicotinamide-adenine-dinucleotide: 41, 43, 44

3qbdA 3-dehydroquinate synthase (arob) from mycobacterium tuberculosis in complex with NAD
36% identity, 82% coverage: 41:335/359 of query aligns to 48:323/344 of 3qbdA

query
sites
3qbdA

N

E

Q

E

I

I

L

R

D

K

S

R

L

L

D

A

R

G

Q

K

G

G

F

V

I

D

W

A

K

H

E

R

L

I

V

E

I

I

P

P

A
x
D

R
x
A

E
|
E

T

A

S

G

K
|
K

S

D

F

L

R

P

T

V

A

V

M

G

K

F

L

I

Y

W

T

E

E

V

M

L

I

G

E

R

A

I

H

G

V

I

D

G

R

R

G

K

W

D

N

A

L

L

L

V

A

S

V

L

G

G

G
|
G

G
|
G

V
x
A

V

A

G

T

D
|
D

L

V

G

A

G

G

F

F

V

A

A

A

A

A

S

T

F

W

Y

L

R
|
R

G

G

I

V

P

S

V

I

I

V

Q

H

L

L

P

P

T
|
T

T
|
T

L

L

L
|
L

A

G

M

M

T

V

D

D

S
x
A

A

A

I

V

G

G

G

G

K
|
K

V

T

A

G

I

I

N

N

H

T

P

D

L

A

G

G

K

K

N

N

L

L

I

V

G

G

F

A

F

F

H

H

M

Q

P

P

Q

L

L

A

V

V

L

L

I

V

D

D

P

L

A

A

W

T

L

L

N

Q

T
|
T

L
|
L

P

P

E

R

R

D

E

E

I

M

Y

I

A

C

G

G

M

M

A

A

E
|
E

V

V

V

V

K

K

Y

A

G

G

F

F

I

I

A

A

D

D

R

P

Q

V

F

I

L

L

S

D

Y

L

L

I

D

E

E

A

H

D

F

P

D

Q

E

A

I

A

V

L

A

D

V

P

K

A

D

G

P

D

Y

V

V

L

T

P

Y

E

A

L

I

I

R

R

T

R

S

A

A

I

M

T

I

V

K
|
K

A

A

D

E

V

V

V

V

E

A

K

A

D

E

F

L

K
x
R

E

E

E

-

S

-

G

-

L

-

R

-

A

-

T

I

L

L

N
|
N

F

Y

G

G

H
|
H

T

T

F

L

G

G

H
|
H

G

A

L

I

E

E

K

R

L

R

A

E

D

R

Y

Y

R

R

H

W

I

-

R

R

H
|
H

G

G

E

A

A

A

V

V

A

S

L

V

G

G

M

L

V

V

C

F

A

A

L

A

I

E

L

L

S

A

E

R

M

L

L

A

G

G

T

R

I

L

T

D

E

D

E

A

E

T

L

A

Q

Q

Q

R

G

H

L

R

N

T

V

I

L

L

S

S

R

S

F

L

K

G

F

L

R

-

K

-

G

-

L

-

V

-

E

P

K

V

H

S

F

Y

K

D

V

P

H

D

P

A

A

L

Q

P

K

Q

I

L

L

L

E

E

S

I

M

M

H

A

S

-

D

-

K

-

K

-

K

-

V

-

D

-

S

G

A

V

L

L

R

R

F

F

V

V

L

V

L

L

D

D

G

G

L

L

G

A

K

K

active site: R117 (= R110), K139 (= K132), E181 (= E174), K223 (= K216), R232 (≠ K225), N236 (= N235), H239 (= H238), H243 (= H242), H255 (= H255)
binding nicotinamide-adenine-dinucleotide: D68 (≠ A61), A69 (≠ R62), E70 (= E63), K73 (= K66), G101 (= G94), G102 (= G95), A103 (≠ V96), D106 (= D99), T126 (= T119), T127 (= T120), L129 (= L122), A134 (≠ S127), T169 (= T162), L170 (= L163)

Sites not aligning to the query:

binding nicotinamide-adenine-dinucleotide: 40

1nvbB Crystal structure of 3-dehydroquinate synthase (dhqs) in complex with zn2+ and carbaphosphonate (see paper)
37% identity, 79% coverage: 60:343/359 of query aligns to 76:379/391 of 1nvbB

query
sites
1nvbB

P

P

A

P

R

G

E

E

T

V

S

S

K

K

S

S

F

R

R

Q

T

T

A

K

M

A

K

D

L

I

Y

E

T

D

E

W

M

M

I

L

E

S

A

Q

H

N

V

P

D

P

R

C

G

G

W

R

N

D

-

T

-

V

L

V

L

I

A

A

V

L

G

G

G

G

G

G

V

V

V

I

G

G

D

D

L

L

G

T

G

G

F

F

V

V

A

A

A

S

S

T

F

Y

Y

M

R
|
R

G

G

I

V

P

R

V

Y

I

V

Q

Q

L

V

P

P

T

T

T

T

L

L

L

L

A

A

M

M

T

V

D
|
D

S

S

A

S

I

I

G

G

G

G

K
|
K

V

T

A

A

I

I

N

D

H

T

P

P

L

L

G

G

K

K

N
|
N

L

L

I

I

G

G

F

A

F

I

H

W

M

Q

P

P

Q

T

L

K

V

I

L

Y

I

I

D

D

P

L

A

E

W

F

L

L

N

E

T

T

L

L

P

P

E

V

R

R

E

E

I

F

Y

I

A

N

G

G

M

M

A

A

E
|
E

V

V

V

I

K

K

Y

T

G

A

F

A

I

I

A

S

D

S

R

E

Q

E

F

E

L

F

S

T

Y

A

L

L

D

E

E

E

H

N

F

A

D

E

E

T

I

I

V

L

A

K

V

A

K

V

D

R

P

R

Y

E

V

V

T

T

Y

P

A

G

-

E

-

H

-

R

-

F

-

E

-

G

-

T

-

E

-

E

-

I

-

L

-

K

-

A

-

R

I

I

R

L

T

A

S

S

A

A

M

R

I

H

K
|
K

A

A

D

Y

V

V

V

V

E

S

K

A

D

D

F

-

K

E

E

R

E
|
E

S

G

G

G

L

L

R
|
R

A

N

T

L

L
|
L

N
|
N

F

W

G

G

H
|
H

T

S

F

I

G

G

H
|
H

G

A

L

I

E

E

K

A

L

I

A

L

D

T

Y

-

R

P

H

Q

I

I

R

L

H
|
H

G

G

E

E

A

C

V

V

A

A

L

I

G

G

M

M

V

V

C

K

A

E

L

A

I

E

L

L

S

A

E

R

M

H

L

L

G

G

T

I

I

L

T

K

E

G

E

V

E

A

L

V

Q

S

Q

R

G

I

L

V

N

K

V

C

L

L

S

A

R

A

F

Y

-

G

-

L

-

P

-

T

-

S

-

L

-

K

-

D

-

A

K

R

F

I

R

R

K

K

G

L

L

T

V

A

E

G

K

K

H

H

F

C

K

S

V

V

H

-

P

-

A

-

Q

D

K

Q

I

L

L

M

E

F

S

N

M

M

H

A

S

L

D

D

K
|
K

K

K

K

N

V

D

D

G

S

P

A

K

L

K

R

K

F

I

V

V

L

L

L

L

D

S

G

A

L

I

G

G

K

T

A

P

F

Y

L

E

H

T

R

R

E

A

T

S

L

V

active site: R128 (= R110), K150 (= K132), E192 (= E174), K248 (= K216), E258 (= E227), R262 (= R231), N266 (= N235), H269 (= H238), H273 (= H242), H285 (= H255)
binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: D144 (= D126), K150 (= K132), N160 (= N142), E192 (= E174), K248 (= K216), R262 (= R231), L265 (= L234), N266 (= N235), H269 (= H238), H273 (= H242), K354 (= K318)
binding zinc ion: E192 (= E174), H269 (= H238), H285 (= H255)

1xagA Crystal structure of staphlyococcus aureus 3-dehydroquinate synthase (dhqs) in complex with zn2+, NAD+ and carbaphosphonate (see paper)
33% identity, 93% coverage: 26:358/359 of query aligns to 33:352/353 of 1xagA

query
sites
1xagA

K

Q

T

S

V

F

V

L

L

L

F

I

D
|
D

E

E

N
x
Y

T
x
V

R

N

K

Q

L
x
Y

I

F

G

A

N

N

Q

K

I

F

L

D

D

D

S

I

L

L

D

S

R

Y

Q

E

G

N

F

V

I

-

W

-

K

H

E

K

L

V

V

I

I

I

P

P

A

A

R

G

E
|
E

T

K

S

T

K
|
K

S

T

F

F

R

E

T

Q

A

Y

M

Q

K

E

L

T

Y

L

T

E

E

Y

M

I

I

L

E

S

A

H

H

H

V

V

D

T

R

R

G

N

W

T

N

A

L

I

L

I

A

A

V

V

G

G

G
|
G

G
|
G

V
x
A

V

T

G

G

D
|
D

L

F

G

A

G

G

F

F

V

V

A

A

A

A

S

T

F

L

Y

L

R
|
R

G

G

I

V

P

H

V

F

I

I

Q

Q

L

V

P

P

T
|
T

T
|
T

L

I

L
|
L

A

A

M

H

T

-

D
|
D

S
|
S

A

S

I

V

G

G

G

G

K
|
K

V

V

A

G

I

I

N

N

H

S

P

K

L

Q

G

G

K
|
K

N
|
N

L

L

I

I

G

G

F

A

F

F

H

Y

M

R

P

P

Q

T

L

A

V

V

L

I

I

Y

D

D

P

L

A

D

W

F

L

L

N

K

T
|
T

L
|
L

P

P

E

F

R

K

E
x
Q

I

I

Y

L

A

S

G

G

M

Y

A

A

E
|
E

V

V

V

Y

K

K

Y

H

G

A

F

L

I

L

A

N

D

G

R

E

Q

S

F

A

L

T

S

Q

Y

D

L

I

D

E

E

Q

H

H

F

F

D

K

E

D

I

R

V

E

A

I

V

L

K

Q

-

S

-

L

-

N

-

G

-

M

D

D

P

K

Y

Y

V

I

T

A

Y

K

A

G

I

I

R

E

T

T

S

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N

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active site: R115 (= R110), K136 (= K132), E178 (= E174), K221 (= K216), E231 (= E226), R235 (= R231), N239 (= N235), H242 (= H238), H246 (= H242), H256 (= H255)
binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: K136 (= K132), N146 (= N142), E178 (= E174), K221 (= K216), R235 (= R231), L238 (= L234), N239 (= N235), H242 (= H238), H246 (= H242), K314 (= K318)
binding nicotinamide-adenine-dinucleotide: D39 (= D32), Y41 (≠ N34), V42 (≠ T35), Y45 (≠ L38), E68 (= E63), K71 (= K66), G99 (= G94), G100 (= G95), A101 (≠ V96), D104 (= D99), T124 (= T119), T125 (= T120), L127 (= L122), D130 (= D126), S131 (= S127), K136 (= K132), K145 (= K141), T166 (= T162), L167 (= L163), Q171 (≠ E167), H256 (= H255)
binding zinc ion: E178 (= E174), H242 (= H238), H256 (= H255)

Q6GGU4 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Staphylococcus aureus (strain MRSA252) (see paper)
33% identity, 93% coverage: 26:358/359 of query aligns to 33:352/354 of Q6GGU4

query
sites
Q6GGU4

K

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D39 (= D32) binding NAD(+)
Y45 (≠ L38) binding NAD(+)
EKTK 68:71 (≠ ETSK 63:66) binding NAD(+)
GATGD 100:104 (≠ GVVGD 95:99) binding NAD(+)
TT 124:125 (= TT 119:120) binding NAD(+)
K136 (= K132) binding NAD(+)
K145 (= K141) binding NAD(+)
FLKT 163:166 (≠ WLNT 159:162) binding NAD(+)
E178 (= E174) binding Zn(2+)
H242 (= H238) binding Zn(2+)
H256 (= H255) binding Zn(2+)

Query Sequence

>WP_012506070.1 NCBI__GCF_000020625.1:WP_012506070.1
MSEIIVSTPVTEDIAVLFDKHGLARKTVVLFDENTRKLIGNQILDSLDRQGFIWKELVIP
ARETSKSFRTAMKLYTEMIEAHVDRGWNLLAVGGGVVGDLGGFVAASFYRGIPVIQLPTT
LLAMTDSAIGGKVAINHPLGKNLIGFFHMPQLVLIDPAWLNTLPEREIYAGMAEVVKYGF
IADRQFLSYLDEHFDEIVAVKDPYVTYAIRTSAMIKADVVEKDFKEESGLRATLNFGHTF
GHGLEKLADYRHIRHGEAVALGMVCALILSEMLGTITEEELQQGLNVLSRFKFRKGLVEK
HFKVHPAQKILESMHSDKKKVDSALRFVLLDGLGKAFLHRETLDDELITGAIEKAKTFC

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