SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011950860.1 NCBI__GCF_000016765.1:WP_011950860.1 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)

6llaB Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+ and NAD (see paper)
47% identity, 98% coverage: 3:363/369 of query aligns to 5:360/363 of 6llaB

query
sites
6llaB

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active site: R121 (= R120), K143 (= K142), E185 (= E184), K227 (= K226), E237 (= E236), R242 (= R241), N246 (= N245), H249 (= H248), H253 (= H252), H266 (= H266)
binding magnesium ion: E185 (= E184), H249 (= H248), H266 (= H266)
binding nicotinamide-adenine-dinucleotide: L46 (≠ I45), D72 (≠ P71), E74 (= E73), K77 (= K76), G105 (= G104), G106 (= G105), V107 (= V106), D110 (= D109), T130 (= T129), T131 (= T130), L133 (= L132), D137 (= D136), K143 (= K142), T173 (= T172), L174 (= L173), E178 (= E177)

Q9KNV2 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
45% identity, 99% coverage: 3:366/369 of query aligns to 4:360/361 of Q9KNV2

query
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Q9KNV2

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N41 (≠ D42) binding NAD(+)
DGEQYK 70:75 (≠ PGESTK 71:76) binding NAD(+)
GVIGD 104:108 (= GVIGD 105:109) binding NAD(+)
TT 128:129 (= TT 129:130) binding NAD(+)
K141 (= K142) binding NAD(+)
KN 150:151 (= KN 151:152) binding NAD(+)
CLTT 168:171 (≠ TLDT 169:172) binding NAD(+)

3okfA 2.5 angstrom resolution crystal structure of 3-dehydroquinate synthase (arob) from vibrio cholerae
44% identity, 99% coverage: 3:366/369 of query aligns to 5:359/360 of 3okfA

query
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3okfA

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active site: R120 (= R120), K142 (= K142), E184 (= E184), K226 (= K226), R238 (= R241), N242 (= N245), H245 (= H248), H249 (= H252), H262 (= H266)
binding nicotinamide-adenine-dinucleotide: N42 (≠ D42), L48 (≠ N48), D71 (≠ P71), E73 (= E73), K76 (= K76), G104 (= G104), G105 (= G105), V106 (= V106), D109 (= D109), T129 (= T129), T130 (= T130), L132 (= L132), D136 (= D136), T172 (= T172), L173 (= L173), E177 (= E177)

U3KRF2 3-dehydroquinate synthase, chloroplastic; EC 4.2.3.4 from Actinidia chinensis var. chinensis (Chinese soft-hair kiwi) (see paper)
47% identity, 98% coverage: 3:363/369 of query aligns to 84:441/445 of U3KRF2

query
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U3KRF2

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G

C

V

R

N

F

F

V

I

Q

Q

V

I

P

P

T
|
T

L

V

L

M

A

A

Q

Q

V

V

D

D

S

S

V

V

G

G

K
|
K

T

T

A

G

I

I

N

N

S

H

K

R

A

L

G

G

K
|
K

N

N

L

L

I

I

G

G

A

A

F

F

Y

Y

Q

Q

P

P

A

Q

H

C

V

V

L

L

I

I

D

D

P

T

T

D

T
|
T

L
|
L

D
x
N

T
|
T

L

L

P

P

P

D

R

R

E

E

T

L

R

A

A

S

G

G

Y

L

A

A

E

E

V

V

K

K

Y

Y

G

G

L

L

I

I

D

R

D

D

A

A

A

N

F

F

D

E

W

W

C

Q

E

E

A

K

N

N

G

M

P

P

K

A

L

L

L

M

A

A

G

R

D

D

P

P

E

S

A

A

R

L

A

A

V

Y

A

A

I

I

A

K

K

R

S

S

V

C

G

E

A

N

K
|
K

A

A

R

E

I

V

V

V

G

S

E

L

D

D

E

E

R

K

E

E

T

-

S

S

G

G

R

L

R

R

A

A

L

T

L

L

N

N

L

L

G

G

H

H

T

T

F

F

G

G

H

H

A

A

L

I

E

E

A

T

E

G

T

F

G

G

F

Y

S

G

D

-

R

Q

L

W

L

L

H

H

G

G

E

E

A

A

V

V

A

A

G

G

M

M

A

V

L

M

A

A

F

V

R

D

F

M

S

S

A

Y

A

R

Q

L

G

G

L

W

C

I

P

D

P

E

E

S

D

I

A

V

R

N

R

R

V

A

T

H

A

N

H

I

I

L

A

Q

T

A

G

K

L

L

P

P

-

T

A

A

T

P

L

P

Q

E

A

T

A

M

G

T

V

V

D

E

A

M

G

F

G

K

A

S

T

V

L

-

V

-

G

-

H

-

M

M

Q

A

H

V

D

D

K

K

M

V

E

A

G

D

G

G

R

L

L

L

P

R

F

L

L

I

L

L

A

L

R

K

G

G

-

P

I

L

G

G

E

N

T

C

F

V

L

F

D

T

K

G

Q

D

V

Y

D

D

L

R

A

K

A

A

V

L

E

D

A

E

F

T

L

L

D

H

A

A

N122 (≠ D42) binding NAD(+)
DGE 153:155 (≠ PGE 71:73) binding NAD(+)
K158 (= K76) binding NAD(+)
GGVIGD 186:191 (= GGVIGD 104:109) binding NAD(+)
TT 211:212 (= TT 129:130) binding NAD(+)
K224 (= K142) binding NAD(+)
K233 (= K151) binding NAD(+)
TLNT 251:254 (≠ TLDT 169:172) binding NAD(+)
K308 (= K226) binding NAD(+)

3zokA Structure of 3-dehydroquinate synthase from actinidia chinensis in complex with NAD (see paper)
47% identity, 98% coverage: 3:363/369 of query aligns to 4:361/365 of 3zokA

query
sites
3zokA

V

V

R

D

V

V

S

D

L

L

G

G

D

D

R

R

S

S

Y

Y

D

P

I

I

T

Y

I

I

E

G

N

S

G

G

A

L

L

L

D

D

R

Q

A

P

G

-

E

D

L

L

A

Q

P

R

Y

H

A

V

A

H

R

G

G

K

R

R

F

V

I

L

V

V

T

T

D

N

R

S

N
x
T

I
x
V

V

A

P

P

N

I

Q

Y

L

L

Y

D

R

K

L

V

E

V

T

G

A

A

L

L

T

T

A

N

A

E

G

N

I

P

A

N

S

V

A

S

V

V

E

E

-

S

-

V

V

I

L

L

P

P

P
x
D

G

G

E
|
E

S

K

T

Y

K
|
K

S

N

W

M

V

D

M

T

L

L

E

M

K

K

L

V

T

F

D

D

A

K

L

A

L

I

S

E

Y

S

G

R

V

L

E

D

R

R

G

R

D

C

T

T

I

F

V

V

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

L

M

V

C

G

G

F

Y

A

A

I

S

L

F

K

L

R
|
R

G

G

C

V

R

N

F

F

V

I

Q

Q

V

I

P

P

T
|
T

L

V

L
x
M

A

A

Q

Q

V

V

D
|
D

S
|
S

S

S

V

V

G

G

K
|
K

T

T

A

G

I

I

N

N

S

H

K

R

A

L

G

G

K
|
K

N

N

L

L

I

I

G

G

A

A

F

F

Y

Y

Q

Q

P

P

A

Q

H

C

V

V

L

L

I

I

D

D

P

T

T

D

T

T

L

L

D

N

T
|
T

L
|
L

P

P

P

D

R

R

E
|
E

T

L

R

A

A

S

G

G

Y

L

A

A

E
|
E

V

V

K

K

Y

Y

G

G

L

L

I

I

D

R

D

D

A

A

A

N

F

F

D

E

W

W

C

Q

E

E

A

K

N

N

G

M

P

P

K

A

L

L

L

M

A

A

G

R

D

D

P

P

E

S

A

A

R

L

A

A

V

Y

A

A

I

I

A

K

K

R

S

S

V

C

G

E

A

N

K
|
K

A

A

R

E

I

V

V

V

G

S

E

L

D

D

E

E

R

K

E
|
E

T

-

S

S

G

G

R

L

R
|
R

A

A

L

T

L

L

N
|
N

L

L

G

G

H
|
H

T

T

F

F

G

G

H
|
H

A

A

L

I

E

E

A

T

E

G

T

F

G

G

F

Y

S

G

D

-

R

Q

L

W

L

L

H
|
H

G

G

E

E

A

A

V

V

A

A

G

G

M

M

A

V

L

M

A

A

F

V

R

D

F

M

S

S

A

Y

A

R

Q

L

G

G

L

W

C

I

P

D

P

E

E

S

D

I

A

V

R

N

R

R

V

A

T

H

A

N

H

I

I

L

A

Q

T

A

G

K

L

L

P

P

-

T

A

A

T

P

L

P

Q

E

A

T

A

M

G

T

V

V

D

E

A

M

G

F

G

K

A

S

T

V

L

-

V

-

G

-

H

-

M

M

Q

A

H

V

D

D

K

K

M

V

E

A

G

D

G

G

R

L

L

L

P

R

F

L

L

I

L

L

A

L

R

K

G

G

-

P

I

L

G

G

E

N

T

C

F

V

L

F

D

T

K

G

Q

D

V

Y

D

D

L

R

A

K

A

A

V

L

E

D

A

E

F

T

L

L

D

H

A

A

active site: R122 (= R120), K144 (= K142), E186 (= E184), K228 (= K226), E238 (= E236), R242 (= R241), N246 (= N245), H249 (= H248), H253 (= H252), H266 (= H266)
binding glycine: K144 (= K142), K228 (= K226), R242 (= R241)
binding nicotinamide-adenine-dinucleotide: T44 (≠ N44), V45 (≠ I45), D73 (≠ P71), E75 (= E73), K78 (= K76), G106 (= G104), G107 (= G105), V108 (= V106), D111 (= D109), T131 (= T129), T132 (= T130), M134 (≠ L132), D138 (= D136), S139 (= S137), K144 (= K142), K153 (= K151), T174 (= T172), L175 (= L173), E179 (= E177), H266 (= H266)

6lk2A Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+, NAD and chlorogenic acid (see paper)
47% identity, 98% coverage: 3:363/369 of query aligns to 5:356/357 of 6lk2A

query
sites
6lk2A

V

V

R

T

V

V

S

T

L

L

G

D

D

E

R

R

S

S

Y

Y

D

P

I

I

T

N

I

I

E

A

N

P

G

-

A

S

L

L

D

Y

R

Q

A

Q

G

Q

E

D

L

A

L

F

A

W

P

P

Y

L

A

T

A

A

R

G

G

Q

R

R

F

A

I

M

V

I

V

V

T

T

D

N

R

E

N

T

I
x
L

V

A

P

P

N

L

Q

Y

L

L

Y

H

R

K

L

I

E

Q

T

T

A

V

L

L

T

E

A

V

A

S

G

G

I

V

A

K

S

V

A

D

V

S

E

I

V

I

L

L

P

P

P
x
D

G

G

E
|
E

S

Q

T

Y

K
|
K

S

S

W

L

V

F

M

I

L

M

E

N

K

D

L

V

T

F

D

T

A

A

L

L

S

E

Y

K

G

H

V

H

E

N

R

R

G

D

D

T

T

T

I

L

V

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

L

L

V

T

G

G

F

F

A

A

I

S

L

Y

K

Q

R
|
R

G

G

C

V

R

R

F

F

V

I

Q

Q

V

V

P

P

T
|
T

L

L

L
|
L

A

S

Q

Q

V

V

D
|
D

S
|
S

S

S

V

V

G

G

K
|
K

T

T

A

A

I

V

N

N

S

H

K

P

A

L

G

G

K

K

N

N

L

M

I

I

G

G

A

A

F

F

Y

Y

Q

Q

P

P

A

A

H

S

V

V

L

V

I

I

D

D

P

L

T

D

T
x
C

L

L

D

K

T
|
T

L
|
L

P
|
P

P

K

R

R

E
|
E

T

L

R

S

A

S

G

G

Y

L

A

A

E
|
E

V

V

V

I

K

K

Y

Y

G

G

L

I

I

I

D

L

D

D

A

G

A

E

F

F

D

S

W

W

C

L

E

E

A

E

N

N

G

I

P

D

K

A

L

L

L

M

A

A

G

L

D

D

P

N

E

Q

A

A

R

M

A

A

V

Y

A

C

I

I

A

R

K

R

S

C

V

C

G

E

A

L

K
|
K

A

A

R

Q

I

V

V

V

G

A

E

A

D

D

E

E

R

-

E

-

T

-

S

-

G

G

R

L

R
|
R

A

A

L

L

N
|
N

L

L

G

G

H
|
H

T
|
T

F

F

G

G

H
|
H

A

A

L

I

E

E

A

A

E

E

T

M

G

G

F

Y

S

G

D

-

R

V

L

W

L

L

H
|
H

G

G

E

E

A

A

V

V

A

A

G

G

M

M

A

V

L

M

A

A

F

A

R

K

F

T

S

A

A

E

A

L

Q

I

G

G

L

Q

C

F

P

T

P

P

E

E

D

Q

A

T

R

D

R

R

V

V

T

I

A

A

H

L

I

L

A

K

A

R

T

A

G

E

L

L

P

P

A

V

T

T

L

G

Q

P

A

A

A

-

G

-

V

-

D

K

A

M

G

Q

G

P

A

D

T

D

L

Y

V

L

G

P

H

H

M

M

Q

M

H

R

D

D

K

K

M

V

E

M

G

G

R

K

L

L

P

H

F

L

L

I

L

L

A

P

R

T

G

T

I

I

G

G

E

H

T

S

F

E

L

M

D

R

K

S

Q

D

V

V

D

D

L

A

A

S

A

T

V

V

E

T

A

A

F

A

L

I

D

S

A

A

active site: R121 (= R120), K143 (= K142), E185 (= E184), K227 (= K226), R238 (= R241), N242 (= N245), H245 (= H248), H249 (= H252), H262 (= H266)
binding (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid: D137 (= D136), E185 (= E184), K227 (= K226), R238 (= R241), N242 (= N245), H245 (= H248), T246 (= T249), H249 (= H252), H262 (= H266)
binding magnesium ion: E185 (= E184), H245 (= H248), H262 (= H266)
binding nicotinamide-adenine-dinucleotide: L46 (≠ I45), D72 (≠ P71), E74 (= E73), K77 (= K76), G105 (= G104), G106 (= G105), V107 (= V106), D110 (= D109), T130 (= T129), T131 (= T130), L133 (= L132), D137 (= D136), S138 (= S137), C170 (≠ T169), T173 (= T172), L174 (= L173), P175 (= P174), E178 (= E177)

5eksA Structure of 3-dehydroquinate synthase from acinetobacter baumannii in complex with NAD
45% identity, 96% coverage: 2:354/369 of query aligns to 4:342/355 of 5eksA

query
sites
5eksA

T

T

V

L

R

H

V

V

S

E

L

L

G

G

D

E

R

R

S

R

Y

Y

D

P

I

I

T

F

I

I

E

-

N

-

G

G

A

S

L

Q

D

L

R

D

A

P

G

K

E

Q

L

L

A

E

P

P

Y

Y

A

I

A

H

R

G

G

Q

R

Q

F

V

I

M

V

I

V

V

T

S

D
x
N

R

V

N

T

I
x
V

V

A

P

P

N

L

Q

Y

L

L

Y

S

R

H

L

Y

E

Q

T

E

A

A

L

L

T

E

A

S

A

L

G

G

I

K

A

T

S

V

A

A

V

T

E

C

V

I

L

L

P

P

P
x
D

G

G

E
|
E

S

K

T

Y

K
|
K

S

D

W

I

V

Q

M

H

L

L

E

N

K

L

L

I

T

F

D

D

A

A

L

L

S

E

Y

A

G

G

V

F

E

N

R

R

G

D

D

C

T

T

I

V

V

L

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

L

M

V

A

G

G

F

F

A

A

A

S

A

A

I

C

L

F

K

Q

R
|
R

G

G

C

V

R

Y

F

F

V

V

Q

Q

V

V

P

P

T
|
T

L

L

A

S

Q

Q

V

V

D
|
D

S
|
S

S

S

V

V

G

G

K
|
K

T

T

A

G

I

I

N

N

S

H

K

P

A

L

G

G

K

K

N

N

L

M

I

L

G

G

A

A

F

F

Y

Q

Q

Q

P

P

A

Q

H

V

V

V

L

L

I

A

D

D

P

M

T

A

T

Q

L

L

D

N

T
|
T

L
|
L

P

P

P

E

R

R

E
|
E

T

L

R

S

A

A

G

G

Y

L

A

A

E
|
E

V

V

V

I

K

K

Y

Y

G

A

L

L

I

L

D

G

D

D

A

E

A

D

F

F

F

L

D

V

W

W

C

L

E

E

A

E

N

N

G

M

P

D

K

G

L

L

L

V

A

A

G

R

D

D

P

A

E

D

A

L

R

L

A

A

V

E

A

A

I

V

A

Y

K

R

S

S

V

C

G

A

A

H

K
|
K

A

A

R

R

I

I

V

V

G

A

E

N

D

D

E

E

R

K

E

E

T

-

S

-

G

-

R

-

R
|
R

A

A

L

L

N
|
N

L

L

G

G

H
|
H

T

T

F

F

G

G

H
|
H

A

A

L

I

E

E

A

S

E

Y

T

L

G

G

F

Y

S

G

D

-

R

T

L

W

L

L

H
|
H

G

G

E

E

A

A

V

V

A

A

A

T

G

G

M

M

A

V

L

M

A

A

F

A

R

D

F

L

S

S

A

Q

A

R

Q

L

G

G

L

W

C

I

P

S

P

N

E

E

D

D

A

V

R

A

R

R

V

T

T

K

A

K

H

I

I

I

A

Q

A

R

T

A

G

N

L

L

P

P

A

I

T

S

L

C

Q

P

A

Q

A

I

G

P

V

L

D

D

A

-

G

-

A

-

T

D

L

F

V

L

G

G

H

Y

M

M

Q

A

H

H

D

D

K

K

M

V

E

Q

G

-

R

-

L

L

P

R

F

L

L

V

L

L

A

L

R

K

G

Q

I

L

G

G

E

Q

T

A

F

V

L

I

D

T

K

K

Q

D

V

F

D

D

L

V

active site: R120 (= R120), K142 (= K142), E184 (= E184), K226 (= K226), R237 (= R241), N241 (= N245), H244 (= H248), H248 (= H252), H261 (= H266)
binding magnesium ion: E184 (= E184), H244 (= H248), H261 (= H266)
binding nicotinamide-adenine-dinucleotide: N42 (≠ D42), V45 (≠ I45), D71 (≠ P71), E73 (= E73), K76 (= K76), G104 (= G104), G105 (= G105), V106 (= V106), D109 (= D109), T129 (= T129), T130 (= T130), D136 (= D136), S137 (= S137), K142 (= K142), T172 (= T172), L173 (= L173), E177 (= E177)

Q5NFS1 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
42% identity, 96% coverage: 11:365/369 of query aligns to 14:359/359 of Q5NFS1

query
sites
Q5NFS1

S

S

Y

Y

D

N

I

I

T

I

I

V

E

D

N

S

G

-

A

V

L

L

D

D

R

F

A

S

G

H

E

I

L

L

L

-

A

-

P

E

Y

Y

A

V

A

T

R

N

G

K

R

Q

F

V

I

L

V

V

T

T

D
x
N

R

T

N

T

I

V

V

A

P

K

N

L

Q

Y

L

L

Y

T

R

K

L

F

E

L

T

A

A

A

L

L

T

-

A

V

A

D

G

D

I

L

A

D

S

V

A

R

V

T

E

C

V

I

L

L

P

E

P
x
D

G
|
G

E
|
E

S
x
Q

T
x
Y

K
|
K

S

S

W

Q

V

Q

M

S

L

L

E

D

K

K

L

I

T

L

D

S

A

T

L

L

S

E

Y

N

G

H

V

F

E

T

R

R

G

N

D

S

T

T

I

V

-

L

V

V

A

A

L

L

G

G

G
|
G

V
|
V

I
|
I

G
|
G

D
|
D

L

I

V

T

G

G

F

F

A

A

I

I

L

Y

K

Q

R

R

G

G

C

I

R

D

F

F

V

I

Q

Q

V

I

P

P

T
|
T

L

L

A

S

Q

Q

V

V

D

D

S

S

V

V

G

G

K
|
K

T

T

A

A

I

I

N

N

S

H

K

Q

A

L

G

G

K

K

N

N

L

M

I

I

G

G

A

A

F

F

Y

Y

Q

Q

P

P

A

K

H

V

V

V

L

Y

I

T

D

S

P

I

T

E

T
x
F

L
x
Y

D
x
K

T
|
T

L

L

P

P

P

Q

R

R

E

E

T

Y

R

I

A

A

G

G

Y

M

A

A

E

E

V

V

K

K

Y

Y

G

A

L

F

I

I

D

-

D

S

A

K

A

D

F

F

F

Y

D

L

W

W

C

L

E

D

A

S

N

N

G

R

P

D

K

K

L

I

L

L

A

A

G

K

D

D

P

S

E

V

A

T

R

L

A

I

V

E

A

M

I

V

A

K

K

R

S

S

V

C

G

Q

A

I

K

K

A

A

R

Q

I

V

V

V

G

A

E

M

D

D

E

E

R

K

E

E

T

L

S

T

G

G

R

A

R

R

A

A

L

I

L

L

N

N

L

F

G

G

H

H

T

T

F

F

G

G

H

H

A

A

L

I

E

E

A

K

E

C

T

Q

G

N

F

Y

S

R

D

G

R

-

L

L

L

K

H

H

G

G

E

E

A

A

V

V

A

G

A

V

G

G

M

M

A

A

L

Q

A

A

F

I

R

D

F

F

S

S

A

H

A

Y

Q

L

G

G

L

L

C

I

P

S

P

Q

E

Q

D

Q

A

A

R

K

R

D

V

F

T

N

A

D

H

F

I

I

A

V

A

S

T

F

G

G

L

I

P

S

A

I

T

D

L

F

Q

P

A

N

A

-

G

-

V

-

D

D

A

I

G

C

G

Q

A

K

T

E

L

F

V

L

G

E

H

A

M

M

Q

L

H

L

D

D

K

K

M

N

E

S

G

N

G

K

R

E

L

L

P

K

F

F

L

I

L

L

A

I

R

E

G

N

I

I

G

G

E

S

T

L

F

S

L

L

D

Q

K

K

Q

Q

V

S

D

K

L

-

A

N

A

E

V

L

E

E

A

Q

F

F

L

L

D

D

A

I

E

S

R

R

N42 (≠ D42) binding NAD(+)
DGEQYK 70:75 (≠ PGESTK 71:76) binding NAD(+)
GVIGD 105:109 (= GVIGD 105:109) binding NAD(+)
TT 129:130 (= TT 129:130) binding NAD(+)
K142 (= K142) binding NAD(+)
FYKT 169:172 (≠ TLDT 169:172) binding NAD(+)

5hvnA 3.0 angstrom crystal structure of 3-dehydroquinate synthase (arob) from francisella tularensis in complex with NAD.
41% identity, 96% coverage: 11:365/369 of query aligns to 17:354/354 of 5hvnA

query
sites
5hvnA

S

S

Y

Y

D

N

I

I

T

I

I

V

E

D

N

S

G

-

A

V

L

L

D

D

R

F

A

S

G

H

E

I

L

L

L

-

A

-

P

E

Y

Y

A

V

A

T

R

N

G

K

R

Q

F

V

I

L

V

V

T

T

D
x
N

R

T

N

T

I

V

V

A

P

K

N
x
L

Q

Y

L

L

Y

T

R

K

L

F

E

L

T

A

A

A

L

L

T

-

A

V

A

D

G

D

I

L

A

D

S

V

A

R

V

T

E

C

V

I

L

L

P

E

P
x
D

G

G

E
|
E

S

Q

T

Y

K
|
K

S

S

W

Q

V

Q

M

S

L

L

E

D

K

K

L

I

T

L

D

S

A

T

L

L

S

E

Y

N

G

H

V

F

E

T

R

R

G

N

D

S

T

T

I

V

-

L

V

V

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

L

I

V

T

G

G

F

F

A

A

I

I

L

Y

K

Q

R
|
R

G

G

C

I

R

D

F

F

V

I

Q

Q

V

I

P

P

T
|
T

L

L

L
|
L

A

S

Q

Q

V

V

D
|
D

S

S

V

V

G

G

K
|
K

T

T

A

A

I

I

N

N

S

H

K

Q

A

L

G

G

K

K

N

N

L

M

I

I

G

G

A

A

F

F

Y

Y

Q

Q

P

P

A

K

H

V

V

V

L

Y

I

T

D

S

P

I

T

E

T
x
F

L

Y

D

K

T
|
T

L
|
L

P

P

P

Q

R

R

E
|
E

T

Y

R

I

A

A

G

G

Y

M

A

A

E
|
E

V

V

K

K

Y

Y

G

A

L

F

I

I

D

-

D

S

A

K

A

D

F

F

F

Y

D

L

W

W

C

L

E

D

A

S

N

N

G

R

P

D

K

K

L

I

L

L

A

A

G

K

D

D

P

S

E

V

A

T

R

L

A

I

V

E

A

M

I

V

A

K

K

R

S

S

V

C

G

Q

A

I

K
|
K

A

A

R

Q

I

V

V

V

G

A

E

M

D

D

E

-

R

-

E

-

T

-

S

T

G

G

R

A

R
|
R

A

A

L

I

L

L

N
|
N

L

F

G

G

H
|
H

T

T

F

F

G

G

H
|
H

A

A

L

I

E

E

A

K

E

C

T

Q

G

N

F

Y

S

R

D

G

R

-

L

L

L

K

H
|
H

G

G

E

E

A

A

V

V

A

G

A

V

G

G

M

M

A

A

L

Q

A

A

F

I

R

D

F

F

S

S

A

H

A

Y

Q

L

G

G

L

L

C

I

P

S

P

Q

E

Q

D

Q

A

A

R

K

R

D

V

F

T

N

A

D

H

F

I

I

A

V

A

S

T

F

G

G

L

I

P

S

A

I

T

D

L

F

Q

P

A

N

A

-

G

-

V

-

D

D

A

I

G

C

G

Q

A

K

T

E

L

F

V

L

G

E

H

A

M

M

Q

L

H

L

D

D

K

N

K

K

M

-

E

-

G

-

R

E

L

L

P

K

F

F

L

I

L

L

A

I

R

E

G

N

I

I

G

G

E

S

T

L

F

S

L

L

D

Q

K

K

Q

Q

V

S

D

K

L

-

A

N

A

E

V

L

E

E

A

Q

F

F

L

L

D

D

A

I

E

S

R

R

active site: R123 (= R120), K145 (= K142), E187 (= E184), K228 (= K226), R239 (= R241), N243 (= N245), H246 (= H248), H250 (= H252), H263 (= H266)
binding nicotinamide-adenine-dinucleotide: N45 (≠ D42), L51 (≠ N48), D73 (≠ P71), E75 (= E73), K78 (= K76), G107 (= G104), G108 (= G105), V109 (= V106), D112 (= D109), T132 (= T129), T133 (= T130), L135 (= L132), D139 (= D136), K145 (= K142), F172 (≠ T169), T175 (= T172), L176 (= L173), E180 (= E177)

6hqvA Pentafunctional arom complex from chaetomium thermophilum (see paper)
38% identity, 92% coverage: 13:350/369 of query aligns to 12:371/1555 of 6hqvA

query
sites
6hqvA

D

D

I

I

T

I

I

V

E

D

N

H

G

G

A

I

-

W

L

L

D

N

R

F

A

V

G

A

E

H

L

D

L

L

A

L

P

Q

Y

T

A

L

A

P

R

S

G

S

R

T

F

Y

I

V

V

L

V

I

T

T

D
|
D

R

T

N
|
N

I
x
L

V

Y

P

T

N

T

Q

Y

L

V

Y

P

R

P

L

F

E

Q

T

A

A

V

L

F

T

E

A

A

G

A

-

P

-

R

-

D

I

V

A

R

S

L

A

L

V

T

E

Y

V

A

L

I

P

P

G

G

E
|
E

S

Y

T

S

K
|
K

S

S

W

R

V

E

M

T

L

K

E

A

K

E

L

I

T

E

D

D

A

W

L

M

L

L

S

S

Y

H

G

A

V

C

E

T

R

R

G

D

D

T

T

V

I

I

V

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

L

M

V

I

G

G

F

Y

A

V

A

A

I

T

L

F

K

M

R
|
R

G

G

C

V

R

R

F

F

V

V

Q

Q

V

V

P

P

T
|
T

L

L

L
|
L

A

A

Q

M

V

V

D
|
D

S
|
S

S

S

V

I

G

G

K
|
K

T

T

A

A

I

I

N

D

S

T

K

P

A

M

G

G

K
|
K

N

N

L

L

I

I

G

G

A

A

F

F

Y

W

Q

Q

P

P

A

R

H

R

V

I

L

Y

I

I

D

D

P

L

T

A

T

F

L

L

D

E

T
|
T

L
|
L

P
|
P

P

V

R

R

E
|
E

T

F

R

I

A

N

G

G

Y

M

A

A

E
|
E

V

V

V

I

K

K

Y

T

G

A

L

A

I

I

D

W

D

N

A

E

A

T

F

E

F

F

D

T

W

A

C

L

E

E

A

E

N

N

G

A

P

A

K

A

L

I

L

L

-

E

-

A

-

V

-

R

-

S

-

K

A

A

G

S

D

S

P

P

E

A

A

A

R

R

A

L

V

A

A

P

I

I

A

R

K

H

-

I

-

L

-

K

-

R

-

I

-

V

-

L

-

G

S

S

V

A

G

R

A

V

K
|
K

A

A

R

E

I

V

V

V

G

S

E

A

D

D

E

E

R

R

E
|
E

T

-

S

G

G

G

R

L

R
|
R

A

N

L

L

N
|
N

L

F

G

G

H
|
H

T

S

F

I

G

G

H
|
H

A

A

L

Y

E

E

A

A

E

I

T

-

G

-

F

L

S

A

D

P

R

Q

L

V

L

L

H
|
H

G

G

E

E

A

C

V

V

A

A

A

I

G

G

M

M

A

V

L

K

A

E

F

A

R

E

F

L

S

A

A

R

A

Y

Q

L

G

G

L

V

C

L

P

R

P

P

E

S

D

A

A

V

R

A

R

R

V

L

T

T

A

K

H

L

I

I

A

A

A

S

T

Y

G

D

L

L

P

P

A

T

T

S

L

V

Q

H

-

D

-

K

-

R

-

I

-

A

-

K

-

L

A

S

A

A

G

G

V

K

D

E

A

C

G

P

G

V

A

D

T

V

L

L

V

L

G

Q

H

K

M

M

Q

A

H

V

D

D

K

K

M

N

E

E

G

G

G

R

R

K

L

K

P

K

F

I

L

V

L

L

A

L

R

S

G

A

I

I

G

G

E

K

T

T

F

Y

L

E

D

K

K

K

active site: R123 (= R120), K145 (= K142), E187 (= E184), K243 (= K226), E253 (= E236), R257 (= R241), N261 (= N245), H264 (= H248), H268 (= H252), H280 (= H266)
binding glutamic acid: D139 (= D136), K145 (= K142), E187 (= E184), K243 (= K226), R257 (= R241), H264 (= H248), H280 (= H266)
binding nicotinamide-adenine-dinucleotide: D42 (= D42), N44 (= N44), L45 (≠ I45), E76 (= E73), K79 (= K76), G107 (= G104), G108 (= G105), V109 (= V106), D112 (= D109), T132 (= T129), T133 (= T130), L135 (= L132), D139 (= D136), S140 (= S137), K145 (= K142), K154 (= K151), T175 (= T172), L176 (= L173), P177 (= P174), E180 (= E177), H280 (= H266)
binding zinc ion: E187 (= E184), H264 (= H248), H280 (= H266)

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 (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

P56081 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
39% identity, 76% coverage: 66:344/369 of query aligns to 56:322/343 of P56081

query
sites
P56081

V

V

E

C

V

V

L

I

P

E

P
x
S

G
|
G

E
|
E

S
x
K

T
x
Y

K
|
K

S

N

W

F

V

H

M

S

L

L

E

E

K

R

L

I

T

L

D

N

A

N

L

A

L

F

S

E

Y

M

G

Q

V

L

E

N

R

R

G

H

D

S

T

L

I

M

V

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

S

D

D

L

M

V

V

G

G

F

F

A

A

A

S

I

I

L

Y

K

F

R

R

G

G

C

I

R

D

F

F

V

I

Q

N

V

I

P

P

T
|
T

L

L

A

A

Q

Q

V

V

D

D

S

A

S

S

V

V

G

G

K

K

T

T

A

G

I

I

N

N

S

T

K

P

A

Y

G

G

K

K

N
|
N

L

L

I

I

G

G

A

S

F

F

Y

H

Q

Q

P

P

A

K

H

A

V

V

L

Y

I

M

D

D

P

L

T

A

T
x
F

L
|
L

D
x
K

T
|
T

L

L

P

E

P

K

R

R

E

E

T

F

R

Q

A

A

G

G

Y

V

A

A

E

E

V

I

K

K

Y

M

G

A

L

V

I

C

D

F

D

D

A

K

A

N

F

L

F

V

D

E

W

R

C

L

E

E

A

T

N

K

G

D

P

L

K

K

L

-

A

-

G

-

D

-

P

-

E

D

A

C

R

L

A

E

V

E

A

V

I

I

A

F

K

Q

S

S

V

V

G

N

A

I

K

K

A

A

R

Q

I

V

V

V

G

V

E

Q

D

D

E

E

R

K

E

E

T

Q

S

N

G

-

R

I

R

R

A

A

L

G

L

L

N

N

L

Y

G

G

H

H

T

T

F

F

G

G

H

H

A

A

L

I

E

E

A

K

E

E

T

T

G

D

F

Y

S

-

D

E

R

R

L

F

L

L

H

H

G

G

E

E

A

A

V

I

A

A

A

I

G

G

M

M

A

R

L

M

A

A

F

N

R

D

F

L

S

A

A

L

A

S

Q

L

G

G

L

M

C

L

P

T

P

L

E

K

D

E

A

Y

R

E

R

R

V

I

T

E

A

N

H

L

I

L

A

K

T

F

G

D

L

L

P

I

A

F

T

H

L

Y

Q

K

A

I

A

L

G

D

V

L

D

Q

A

K

G

F

G

Y

A

E

T

R

L

L

V

F

G

L

H

-

M

-

Q

-

H

-

D

D

K

K

M

S

E

E

G

N

G

K

R

T

L

I

P

K

F

F

L

I

L

L

A

P

R

K

G

G

I

V

G

G

SGEKYK 61:66 (≠ PGESTK 71:76) binding NAD(+)
GV 95:96 (= GV 105:106) binding NAD(+)
TT 119:120 (= TT 129:130) binding NAD(+)
N142 (= N152) binding NAD(+)
FLKT 159:162 (≠ TLDT 169:172) binding NAD(+)

1dqsA Crystal structure of dehydroquinate synthase (dhqs) complexed with carbaphosphonate, NAD+ and zn2+ (see paper)
40% identity, 84% coverage: 37:347/369 of query aligns to 36:365/381 of 1dqsA

query
sites
1dqsA

F

Y

I

V

V

L

V

V

T

T

D
|
D

R

T

N
|
N

I
|
I

V

G

P

S

N

I

Q

Y

L

T

Y

P

R

S

L

F

E

E

T

E

A

A

L

F

T

R

-

K

-

R

A

A

G

E

I

I

A

T

S

P

A

S

V

P

E

R

V

L

L

L

-

I

-

Y

-

N

-

R

P

P

G

G

E
|
E

S

V

T

S

K
|
K

S

S

W

R

V

Q

M

T

L

K

E

A

K

D

L

I

T

E

D

D

A

W

L

M

L

L

S

S

Y

Q

G

N

-

P

V

C

E

G

R

R

G

D

D

T

T

V

I

V

V

I

A

A

L

L

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

L

L

V

T

G

G

F

F

A

V

A

A

A

S

I

T

L

Y

K

M

R
|
R

G

G

C

V

R

R

F

Y

V

V

Q

Q

V

V

P

P

T
|
T

L

L

L
|
L

A

A

Q

M

V

V

D
|
D

S
|
S

S

S

V

I

G

G

K
|
K

T

T

A

A

I

I

N

D

S

T

K

P

A

L

G

G

K
|
K

N
|
N

L

L

I

I

G

G

A

A

F

I

Y

W

Q

Q

P

P

A

T

H

K

V

I

L

Y

I

I

D

D

P

L

T

E

T

F

L

L

D

E

T
|
T

L

L

P
|
P

P

V

R

R

E
|
E

T

F

R

I

A

N

G

G

Y

M

A

A

E
|
E

V

V

V

I

K

K

Y

T

G

A

L

A

I

I

D

S

A

E

F

E

F

F

D

T

W

A

C

L

E

E

A

E

N

N

G

A

P

E

K

T

L

I

L

L

A

K

-

A

-

V

-

R

-

F

-

E

G

G

D

T

P

E

E

E

A

I

R

L

A

K

V

A

A

R

I

I

A

L

K

A

S

S

V

A

G

R

A

H

K
|
K

A

A

R

Y

I

V

V

V

G

S

E

A

D

D

E

E

R

R

E
|
E

T

-

S

G

G

G

R

L

R
|
R

A

N

L

L

L
|
L

N
|
N

L

W

G

G

H
|
H

T

S

F

I

G

G

H
|
H

A

A

L

I

E

E

A

A

E

I

T

-

G

-

F

L

S

T

D

P

R

Q

L

I

L

L

H
|
H

G

G

E

E

A

C

V

V

A

A

A

I

G

G

M

M

A

V

L

K

A

E

F

A

R

E

F

L

S

A

A

R

A

H

Q

L

G

G

L

I

C

L

P

K

P

G

E

V

D

A

A

V

R

S

R

R

V

I