SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_022670925.1 NCBI__GCF_000420385.1:WP_022670925.1 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)
42% identity, 95% coverage: 17:353/355 of query aligns to 13:361/365 of 3zokA

query
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3zokA

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active site: R122 (= R115), K144 (= K137), E186 (= E179), K228 (= K221), E238 (= E231), R242 (= R235), N246 (= N239), H249 (= H242), H253 (= H246), H266 (= H259)
binding glycine: K144 (= K137), K228 (= K221), R242 (= R235)
binding nicotinamide-adenine-dinucleotide: T44 (≠ N45), V45 (≠ L46), D73 (≠ A66), E75 (= E68), K78 (= K71), G106 (= G99), G107 (= G100), V108 (= V101), D111 (= D104), T131 (= T124), T132 (≠ S125), M134 (≠ L127), D138 (= D131), S139 (= S132), K144 (= K137), K153 (= K146), T174 (= T167), L175 (= L168), E179 (= E172), H266 (= H259)

U3KRF2 3-dehydroquinate synthase, chloroplastic; EC 4.2.3.4 from Actinidia chinensis var. chinensis (Chinese soft-hair kiwi) (see paper)
41% identity, 95% coverage: 17:353/355 of query aligns to 93:441/445 of U3KRF2

query
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U3KRF2

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N122 (≠ D43) binding NAD(+)
DGE 153:155 (≠ AGE 66:68) binding NAD(+)
K158 (= K71) binding NAD(+)
GGVIGD 186:191 (≠ GGVVGD 99:104) binding NAD(+)
TT 211:212 (≠ TS 124:125) binding NAD(+)
K224 (= K137) binding NAD(+)
K233 (= K146) binding NAD(+)
TLNT 251:254 (≠ FLKT 164:167) binding NAD(+)
K308 (= K221) binding NAD(+)

Q9KNV2 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
39% identity, 97% coverage: 6:351/355 of query aligns to 1:355/361 of Q9KNV2

query
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Q9KNV2

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N41 (≠ D43) binding NAD(+)
DGEQYK 70:75 (≠ -GEESK 67:71) binding NAD(+)
GVIGD 104:108 (≠ GVVGD 100:104) binding NAD(+)
TT 128:129 (≠ TS 124:125) binding NAD(+)
K141 (= K137) binding NAD(+)
KN 150:151 (= KN 146:147) binding NAD(+)
CLTT 168:171 (≠ FLKT 164:167) binding NAD(+)

3okfA 2.5 angstrom resolution crystal structure of 3-dehydroquinate synthase (arob) from vibrio cholerae
38% identity, 97% coverage: 6:351/355 of query aligns to 2:354/360 of 3okfA

query
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3okfA

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I

G

G

S

A

F

F

Y

Y

Q

Q

P

P

E

K

A

A

V

V

F

V

V

I

D

D

V

T

G

D

F

C

L

L

K

T

T
|
T

L
|
L

P

P

E

A

R

R

E
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E

Y

F

L

A

S

A

A

G

F

M

A

A

E
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E

V

V

V

I

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Y

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I

I

I

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Y

D

D

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K

A

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F

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W

L

L

E

E

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A

A

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A

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L

D

D

L

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D

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A

L

L

Q

T

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Y

V

A

V

I

E

A

R

R

S

C

I

C

K

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N

I

K
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K

V

A

E

E

I

V

V

V

V

A

E

Q

D

D

E

-

K

-

E

E

K

K

N

G

I

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R
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R

A

A

L

L

N
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N

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G

H
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H

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F

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A

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|
H

A

A

I

I

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I

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N

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Y

Y

K

G

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|
H

G

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E

E

A

A

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A

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I

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K

L

A

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L

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P

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D

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T

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V

A

I

I

active site: R120 (= R115), K142 (= K137), E184 (= E179), K226 (= K221), R238 (= R235), N242 (= N239), H245 (= H242), H249 (= H246), H262 (= H259)
binding nicotinamide-adenine-dinucleotide: N42 (≠ D43), L48 (≠ F49), D71 (vs. gap), E73 (= E68), K76 (= K71), G104 (= G99), G105 (= G100), V106 (= V101), D109 (= D104), T129 (= T124), T130 (≠ S125), L132 (= L127), D136 (= D131), T172 (= T167), L173 (= L168), E177 (= E172)

5eksA Structure of 3-dehydroquinate synthase from acinetobacter baumannii in complex with NAD
40% identity, 96% coverage: 16:355/355 of query aligns to 13:353/355 of 5eksA

query
sites
5eksA

K

R

Y

Y

S

P

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I

F

F

V

I

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E

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-

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D
x
N

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x
V

-

A

-

P

-

L

-

Y

F

L

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S

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H

Y

Y

R

Q

D

E

F

A

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N

E

E

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-

A

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x
D

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E
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E

E

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Y

F

D

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F

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K

A

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A

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N

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L

A

A

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G

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D

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A

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F

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x
T

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S
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S

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T

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G

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Y

G

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K

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A

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C

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K
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A

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R

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I

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A

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N

D

D

E

E

K

K

E

E

K

-

N

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A

N

N

E

Q

active site: R120 (= R115), K142 (= K137), E184 (= E179), K226 (= K221), R237 (= R235), N241 (= N239), H244 (= H242), H248 (= H246), H261 (= H259)
binding magnesium ion: E184 (= E179), H244 (= H242), H261 (= H259)
binding nicotinamide-adenine-dinucleotide: N42 (≠ D43), V45 (≠ L46), D71 (≠ A66), E73 (= E68), K76 (= K71), G104 (= G99), G105 (= G100), V106 (= V101), D109 (= D104), T129 (= T124), T130 (≠ S125), D136 (= D131), S137 (= S132), K142 (= K137), T172 (= T167), L173 (= L168), E177 (= E172)

P56081 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
40% identity, 97% coverage: 6:351/355 of query aligns to 1:339/343 of P56081

query
sites
P56081

I

M

R

Q

Q

E

I

I

A

L

V

I

N

P

V

L

N

K

P

E

K

K

-

N

Y

Y

S

K

V

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F

F

V

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G

G

E

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N

-

L

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D

-

E

-

I

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E

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D

K

K

Q

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K

V

A

F

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I

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A

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E

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R

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L

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-

A

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V

F

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E

E

A
x
S

G
|
G

E
|
E

E
x
K

S
x
Y

K
|
K

N

N

I

F

N

H

T

S

L

L

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E

K

R

I

I

Y

L

D

N

F

N

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A

L

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A

L

D

N

R

R

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H

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S

L

L

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I

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A

A

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I

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Y

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G

G

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x
T

L

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Q

V

V

D

D

S

A

S

S

I

V

G

G

K

K

T

T

G

G

I

I

N

N

Y

T

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P

G

Y

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G

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I

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F

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A

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T

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A

A

G

F

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A

A

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E

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K

Y

M

G

A

M

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I

C

R

F

D

D

K

K

K

-

L

-

F

-

E

-

F

-

L

-

E

-

N

N

S

L

V

V

D

E

A

R

L

L

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E

N

T

R

K

D

D

L

L

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K

D

D

S

C

L

L

Q

E

F

E

V

V

V

I

E

F

R

Q

S

S

I

V

K

N

N

I

K

K

V

A

E

Q

I

V

V

V

E

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D

D

E

E

K

K

E

E

K

Q

N

N

I

I

R

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A

A

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G

L

L

N

N

F

Y

G

G

H

H

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T

F

F

A

G

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H

A

A

I

I

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E

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I

E

T

T

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D

Y

Y

K

E

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F

L

L

H

H

G

G

E

E

A

A

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A

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M

A

A

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R

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M

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S

T

R

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D

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R

L

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N

L

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D

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-

Q

-

V

-

D

-

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F

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H

I

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K

-

I

-

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-

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P

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Y

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D

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SGEKYK 61:66 (≠ AGEESK 66:71) binding NAD(+)
GV 95:96 (= GV 100:101) binding NAD(+)
TT 119:120 (≠ TS 124:125) binding NAD(+)
N142 (= N147) binding NAD(+)
FLKT 159:162 (= FLKT 164:167) binding NAD(+)

Q5NFS1 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
40% identity, 93% coverage: 6:335/355 of query aligns to 2:340/359 of Q5NFS1

query
sites
Q5NFS1

I

I

R

S

Q

K

I

L

A

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V

V

N

N

-

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-

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x
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-

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L

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A

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x
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T

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V

V

D

D

S

S

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|
K

T

T

G

A

I

I

N

N

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G

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A

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D

S

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K

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W

L

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V

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V

A

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M

D

D

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K

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E

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T

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G

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A

A

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N

F

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F

F

A

G

H

H

A

A

I

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N

N

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Y

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L

L

K

H

H

G

G

E

E

A

A

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G

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M

M

V

A

M

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A

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Y

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D

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F

N

H

D

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C

P

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E

K

Q

E

V

F

Y

L

E

E

I

A

M

M

L

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K

L

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D

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K

N

N

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N

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I

L

L

T

I

V

E

G

N

I

I

G

G

N

S

N42 (≠ D43) binding NAD(+)
DGEQYK 70:75 (≠ AGEESK 66:71) binding NAD(+)
GVIGD 105:109 (≠ GVVGD 100:104) binding NAD(+)
TT 129:130 (≠ TS 124:125) binding NAD(+)
K142 (= K137) binding NAD(+)
FYKT 169:172 (≠ FLKT 164:167) binding NAD(+)

6llaB Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+ and NAD (see paper)
38% identity, 99% coverage: 3:353/355 of query aligns to 8:360/363 of 6llaB

query
sites
6llaB

T

T

G

L

D

D

I

E

R

R

Q

S

I

Y

A

P

V

I

N

N

V

I

N

A

P

P

K

-

Y

-

S

S

V

L

F

Y

V

-

G

-

E

-

N

Q

L

Q

K

Q

D

D

E

A

I

F

I

W

E

P

F

L

I

T

R

A

D

G

K

Q

R

R

V

A

F

M

V

I

I

V

T

T

D

N

S

E

N

T

L
|
L

F

A

S

P

F

L

Y

Y

R

-

D

-

F

-

L

L

N

H

E

K

L

I

S

Q

Q

T

H

V

L

L

-

E

-

V

-

S

-

G

-

V

-

K

-

V

-

D

-

S

F

I

V

I

F

L

E

P

A
x
D

G

G

E
|
E

E

Q

S

Y

K
|
K

N

S

I

L

N

F

T

I

L

M

M

N

K

D

I

V

Y

F

D

T

F

A

L

L

D

E

K

K

S

H

A

H

D

N

R

R

H

D

S

T

L

T

I

L

L

I

A

A

F

L

G

G

G
|
G

V
|
V

V

I

G

G

D
|
D

I

L

V

T

G

G

F

F

A

A

T

S

Y

Y

M

Q

R
|
R

G

G

A

V

K

R

L

F

V

I

Q

Q

L

V

P

P

T
|
T

S
x
T

L

L

L
|
L

A

S

M

Q

V

V

D
|
D

S

S

I

V

G

G

K
|
K

T

T

G

A

I

V

N

N

Y

H

G

P

G

L

Y

G

K

K

N

N

I

M

V

I

G

G

S

A

F

F

Y

Y

Q

Q

P

P

E

A

A

S

V

V

F

V

V

I

D

D

V

L

G

D

F

C

L

L

K

K

T
|
T

L
|
L

P

P

E

K

R

R

E
|
E

Y

L

L

S

S

S

A

G

F

L

A

A

E
|
E

V

V

V

I

K

K

Y

Y

G

G

M

I

I

I

R

L

D

D

K

G

K

E

L

F

F

F

E

S

F

W

L

L

E

E

N

E

S

N

V

I

D

D

A

A

L

L

K

M

N

A

R

L

D

D

L

N

D

Q

S

A

L

M

Q

A

F

Y

V

C

V

I

E

R

R

R

S

C

I

C

K

E

N

L

K
|
K

V

A

E

Q

I

V

V

V

V

A

E

A

D

D

E

E

K

K

E
|
E

K

T

N

S

-

G

I

L

R
|
R

A

A

L

L

N
|
N

F

L

G

G

H
|
H

T

T

F

F

A

G

H
|
H

A

A

I

I

E

E

S

A

I

E

T

M

N

G

Y

Y

K

G

R

V

Y

W

L

L

H
|
H

G

G

E

E

A

A

V

V

S

A

I

A

G

G

M

M

V

V

M

M

A

A

S

A

R

K

L

T

A

A

E

E

K

L

L

I

G

G

Y

Q

M

F

S

T

R

P

D

E

E

Q

S

T

D

D

R

R

L

V

K

I

S

A

L

L

S

K

S

R

L

A

G

E

L

L

P

P

V

V

Q

T

V

G

D

P

F

A

H

K

I

M

K

Q

P

P

E

D

Q

D

V

Y

Y

L

E

P

I

H

M

M

L

M

K

R

D

D

K

K

N

V

R

M

D

G

G

G

V

K

L

L

R

H

F

L

V

I

L

L

T

P

V

T

G

T

I

I

G

G

N

H

S

S

I

E

I

M

T

R

D

S

G

D

I

V

A

D

R

A

K

S

V

T

V

V

E

T

E

A

V

A

I

I

G

S

A

A

active site: R121 (= R115), K143 (= K137), E185 (= E179), K227 (= K221), E237 (= E231), R242 (= R235), N246 (= N239), H249 (= H242), H253 (= H246), H266 (= H259)
binding magnesium ion: E185 (= E179), H249 (= H242), H266 (= H259)
binding nicotinamide-adenine-dinucleotide: L46 (= L46), D72 (≠ A66), E74 (= E68), K77 (= K71), G105 (= G99), G106 (= G100), V107 (= V101), D110 (= D104), T130 (= T124), T131 (≠ S125), L133 (= L127), D137 (= D131), K143 (= K137), T173 (= T167), L174 (= L168), E178 (= E172)

6lk2A Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+, NAD and chlorogenic acid (see paper)
38% identity, 99% coverage: 3:353/355 of query aligns to 8:356/357 of 6lk2A

query
sites
6lk2A

T

T

G

L

D

D

I

E

R

R

Q

S

I

Y

A

P

V

I

N

N

V

I

N

A

P

P

K

-

Y

-

S

S

V

L

F

Y

V

-

G

-

E

-

N

Q

L

Q

K

Q

D

D

E

A

I

F

I

W

E

P

F

L

I

T

R

A

D

G

K

Q

R

R

V

A

F

M

V

I

I

V

T

T

D

N

S

E

N

T

L
|
L

F

A

S

P

F

L

Y

Y

R

-

D

-

F

-

L

L

N

H

E

K

L

I

S

Q

Q

T

H

V

L

L

-

E

-

V

-

S

-

G

-

V

-

K

-

V

-

D

-

S

F

I

V

I

F

L

E

P

A
x
D

G

G

E
|
E

E

Q

S

Y

K
|
K

N

S

I

L

N

F

T

I

L

M

M

N

K

D

I

V

Y

F

D

T

F

A

L

L

D

E

K

K

S

H

A

H

D

N

R

R

H

D

S

T

L

T

I

L

L

I

A

A

F

L

G

G

G
|
G

V
|
V

V

I

G

G

D
|
D

I

L

V

T

G

G

F

F

A

A

T

S

Y

Y

M

Q

R
|
R

G

G

A

V

K

R

L

F

V

I

Q

Q

L

V

P

P

T
|
T

S
x
T

L

L

L
|
L

A

S

M

Q

V

V

D
|
D

S
|
S

S

S

I

V

G

G

K
|
K

T

T

G

A

I

V

N

N

Y

H

G

P

G

L

Y

G

K

K

N

N

I

M

V

I

G

G

S

A

F

F

Y

Y

Q

Q

P

P

E

A

A

S

V

V

F

V

V

I

D

D

V

L

G

D

F
x
C

L

L

K

K

T
|
T

L
|
L

P
|
P

E

K

R

R

E
|
E

Y

L

L

S

S

S

A

G

F

L

A

A

E
|
E

V

V

V

I

K

K

Y

Y

G

G

M

I

I

I

R

L

D

D

K

G

K

E

L

F

F

F

E

S

F

W

L

L

E

E

N

E

S

N

V

I

D

D

A

A

L

L

K

M

N

A

R

L

D

D

L

N

D

Q

S

A

L

M

Q

A

F

Y

V

C

V

I

E

R

R

R

S

C

I

C

K

E

N

L

K
|
K

V

A

E

Q

I

V

V

V

V

A

E

A

D

D

E

E

K

-

E

-

K

-

N

G

I

L

R
|
R

A

A

L

L

N
|
N

F

L

G

G

H
|
H

T
|
T

F

F

A

G

H
|
H

A

A

I

I

E

E

S

A

I

E

T

M

N

G

Y

Y

K

G

R

V

Y

W

L

L

H
|
H

G

G

E

E

A

A

V

V

S

A

I

A

G

G

M

M

V

V

M

M

A

A

S

A

R

K

L

T

A

A

E

E

K

L

L

I

G

G

Y

Q

M

F

S

T

R

P

D

E

E

Q

S

T

D

D

R

R

L

V

K

I

S

A

L

L

S

K

S

R

L

A

G

E

L

L

P

P

V

V

Q

T

V

G

D

P

F

A

H

K

I

M

K

Q

P

P

E

D

Q

D

V

Y

Y

L

E

P

I

H

M

M

L

M

K

R

D

D

K

K

N

V

R

M

D

G

G

G

V

K

L

L

R

H

F

L

V

I

L

L

T

P

V

T

G

T

I

I

G

G

N

H

S

S

I

E

I

M

T

R

D

S

G

D

I

V

A

D

R

A

K

S

V

T

V

V

E

T

E

A

V

A

I

I

G

S

A

A

active site: R121 (= R115), K143 (= K137), E185 (= E179), K227 (= K221), R238 (= R235), N242 (= N239), H245 (= H242), H249 (= H246), H262 (= H259)
binding (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid: D137 (= D131), E185 (= E179), K227 (= K221), R238 (= R235), N242 (= N239), H245 (= H242), T246 (= T243), H249 (= H246), H262 (= H259)
binding magnesium ion: E185 (= E179), H245 (= H242), H262 (= H259)
binding nicotinamide-adenine-dinucleotide: L46 (= L46), D72 (≠ A66), E74 (= E68), K77 (= K71), G105 (= G99), G106 (= G100), V107 (= V101), D110 (= D104), T130 (= T124), T131 (≠ S125), L133 (= L127), D137 (= D131), S138 (= S132), C170 (≠ F164), T173 (= T167), L174 (= L168), P175 (= P169), E178 (= E172)

P9WPX9 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
40% identity, 92% coverage: 9:336/355 of query aligns to 10:341/362 of P9WPX9

query
sites
P9WPX9

I

V

A

Q

V

V

N

A

V

V

N

D

P

P

K

P

Y

Y

S

P

V

V

F

V

V

I

G

G

E

T

N

G

L

L

K

L

D

D

E

E

I

L

I

E

E

D

F

L

I

L

R

A

D

D

K

R

-

H

R

K

V

V

F

A

V

V

I

V

T

H

D
x
Q

S

P

N

G

L

L

F

A

S

E

F

T

Y

A

R

E

D

E

F

I

L

R

N

K

E

R

L

L

S

A

-

G

-

K

-

G

-

V

-

D

Q

A

H

H

L

R

F

I

V

E

F

I

E

P

A
x
D

G
x
A

E
|
E

E
x
A

S
x
G

K
|
K

N

D

I

L

N

P

T

V

L

V

M

G

K

F

I

I

Y

W

D

E

F

V

L

L

L

G

D

R

K

I

S

G

A

I

D

G

R

R

H

K

S

D

L

A

I

L

L

V

A

S

F

L

G

G

G
|
G

V
x
A

G
x
T

D
|
D

I

V

V

A

G

G

F

F

A

A

T

T

Y

W

M

L

R

R

G

G

A

V

K

S

L

I

V

V

Q

H

L

L

P

P

T
|
T

S
x
T

L

L

A

G

M

M

V

V

D

D

S

A

I

V

G

G

K
|
K

T

T

G

G

I

I

N

N

Y

T

G

D

G

A

Y

G

K

K

N

N

I

L

V

V

G

G

S

A

F

F

Y

H

Q

Q

P

P

E

L

A

A

V

V

F

L

V

V

D

D

V

L

G

A

F
x
T

L
|
L

K
x
Q

T
|
T

L

L

P

P

E

R

R

D

E

E

Y

M

L

I

S

C

A

G

F

M

A

A

E

E

V

V

K

K

Y

A

G

G

M

F

I

I

R

A

D

D

K

P

K

V

L

I

F

L

E

D

F

L

L

I

E

E

N

A

S

D

V

P

D

Q

A

A

L

A

K

L

N

D

R

P

D

A

L

G

D

D

S

V

L

L

Q

P

F

E

V

L

V

I

E

R

R

R

S

A

I

I

K

T

N

V

K

K

V

A

E

E

I

V

V

V

V

A

E

A

D

D

E

E

K

K

E

E

K

S

N

E

I

L

R

R

A

E

L

I

L

L

N

N

F

Y

G

G

H

H

T

T

F

L

A

G

H

H

A

A

I

I

E

E

S

R

I

R

T

E

N

R

Y

Y

K

-

R

R

Y

W

L

R

H

H

G

G

E

A

A

A

V

V

S

S

I

V

G

G

M

L

V

V

M

F

A

A

S

A

R

E

L

L

A

A

E

R

K

L

L

A

G

G

Y

R

M

L

S

D

R

D

D

A

E

T

S

A

D

Q

R

R

L

H

K

R

S

T

L

I

L

L

S

S

L

L

G

G

L

L

P

P

V

V

Q

S

V

Y

D

D

F

P

H

D

I

A

K

L

P

P

E

-

Q

Q

V

L

Y

L

E

E

I

I

M

M

L

A

K

G

D

D

K

K

N

T

R

R

D

A

G

G

V

V

L

L

R

R

F

F

V

V

L

V

T

L

V

D

G

G

I

L

G

A

N

K

S

P

Q45 (≠ D43) binding NAD(+)
DAEAGK 73:78 (≠ AGEESK 66:71) binding NAD(+)
GAATD 107:111 (≠ GVVGD 100:104) binding NAD(+)
TT 131:132 (≠ TS 124:125) binding NAD(+)
K144 (= K137) binding NAD(+)
TLQT 171:174 (≠ FLKT 164:167) binding NAD(+)

5hvnA 3.0 angstrom crystal structure of 3-dehydroquinate synthase (arob) from francisella tularensis in complex with NAD.
39% identity, 93% coverage: 6:335/355 of query aligns to 5:335/354 of 5hvnA

query
sites
5hvnA

I

I

R

S

Q

K

I

L

A

S

V

V

N

N

-

P

-

T

V

F

N

S

P

P

K

S

Y

Y

S

N

V

I

F

I

V

V

G

D

E

S

N

V

L

L

K

D

-

F

D

S

E

H

I

I

I

L

E

E

F

Y

I

V

R

T

D

N

K

K

R

Q

V

V

F

L

V

V

I

V

T

T

D
x
N

S

T

N

T

-

V

-

A

-

K

-
x
L

-

Y

L

L

F

T

S

K

F

F

Y

L

R

A

D

A

F

L

L

V

N

D

E

D

L

L

S

D

Q

V

H

R

L

T

F

C

V

I

F

L

E

E

A
x
D

G

G

E
|
E

E

Q

S

Y

K
|
K

N

S

I

Q

N

Q

T

S

L

L

M

D

K

K

I

I

Y

L

D

S

F

T

L

L

D

E

K

N

S

H

A

F

D

T

R

R

H

N

S

S

L

T

I

V

L

L

-

V

A

A

F

L

G

G

G
|
G

V
|
V

V

I

G

G

D
|
D

I

I

V

T

G

G

F

F

A

A

T

I

Y

Y

M

Q

R
|
R

G

G

A

I

K

D

L

F

V

I

Q

Q

L

I

P

P

T
|
T

S
x
T

L

L

L
|
L

A

S

M

Q

V

V

D
|
D

S

S

I

V

G

G

K
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K

T

T

G

A

I

I

N

N

Y

H

G

Q

G

L

Y

G

K

K

N

N

I

M

V

I

G

G

S

A

F

F

Y

Y

Q

Q

P

P

E

K

A

V

V

V

F

Y

V

T

D

S

V

I

G

E

F
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F

L

Y

K

K

T
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T

L
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L

P

P

E

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R

R

E
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E

Y

Y

L

I

S

A

A

G

F

M

A

A

E
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E

V

V

K

K

Y

Y

G

A

M

F

I

I

R

-

D

S

K

K

K

D

L

F

F

Y

E

L

F

W

L

L

E

D

N

S

S

N

V

R

D

D

A

K

L

I

K

L

N

A

R

K

D

D

L

S

D

V

S

T

L

L

Q

I

F

E

V

M

V

V

E

K

R

R

S

S

I

C

K

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N

I

K
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K

V

A

E

Q

I

V

V

V

V

A

E

M

D

D

E

-

K

-

E

-

K

T

N

G

I

A

R
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R

A

A

L

I

L

L

N
|
N

F

F

G

G

H
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H

T

T

F

F

A

G

H
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H

A

A

I

I

E

E

S

K

I

C

T

Q

N

N

Y

Y

K

R

R

G

Y

L

L

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H
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H

G

G

E

E

A

A

V

V

S

G

I

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G

G

M

M

V

A

M

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A

A

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I

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D

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F

A

S

E

H

K

Y

L

L

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G

Y

L

M

I

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D

Q

E

Q

S

A

D

K

R

D

L

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K

N

S

D

L

F

L

I

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S

S

L

F

G

G

L

I

P

S

V

I

Q

D

V

F

D

P

F

N

H

D

I

I

K

C

P

Q

E

K

Q

E

V

F

Y

L

E

E

I

A

M

M

L

L

K

L

D

D

K

N

K

K

N

E

R

-

D

-

G

-

V

-

L

L

R

K

F

F

V

I

L

L

T

I

V

E

G

N

I

I

G

G

N

S

active site: R123 (= R115), K145 (= K137), E187 (= E179), K228 (= K221), R239 (= R235), N243 (= N239), H246 (= H242), H250 (= H246), H263 (= H259)
binding nicotinamide-adenine-dinucleotide: N45 (≠ D43), L51 (vs. gap), D73 (≠ A66), E75 (= E68), K78 (= K71), G107 (= G99), G108 (= G100), V109 (= V101), D112 (= D104), T132 (= T124), T133 (≠ S125), L135 (= L127), D139 (= D131), K145 (= K137), F172 (= F164), T175 (= T167), L176 (= L168), E180 (= E172)

3qbeA Crystal structure of the 3-dehydroquinate synthase (arob) from mycobacterium tuberculosis
39% identity, 92% coverage: 9:336/355 of query aligns to 5:332/352 of 3qbeA

query
sites
3qbeA

I

V

A

Q

V

V

N

A

V

V

N

D

P

P

K

P

Y

Y

S

P

V

V

F

V

V

I

G

G

E

T

N

G

L

L

K

L

D

D

E

E

I

L

I

E

E

D

F

L

I

L

R

A

D

D

K

R

-

H

R

K

V

V

F

A

V

V

I

V

T

H

D

Q

S

P

N

G

L

L

F

A

S

E

F

T

Y

A

R

E

D

E

F

I

L

R

N

K

E

R

L

L

S

A

-

G

-

K

-

G

-

V

-

D

Q

A

H

H

L

R

F

I

V

E

F

I

E

P

A

D

G

A

E

E

E

A

S

G

K

K

N

D

I

L

N

P

T

V

L

V

M

G

K

F

I

I

Y

W

D

E

F

V

L

L

L

G

D

R

K

I

S

G

A

I

D

G

R

R

H

K

S

D

L

A

I

L

L

V

A

S

F

L

G

G

V

A

G

T

D

D

I

V

V

A

G

G

F

F

A

A

T

T

Y

W

M

L

R
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R

G

G

A

V

K

S

L

I

V

V

Q

H

L

L

P

P

T

T

S

T

L

L

A

G

M

M

V

V

D

D

S

A

I

V

G

G

K
|
K

T

T

G

G

I

I

N

N

Y

T

G

D

G

A

Y

G

K

K

N

N

I

L

V

V

G

G

S

A

F

F

Y

H

Q

Q

P

P

E

L

A

A

V

V

F

L

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V

D

D

V

L

G

A

F

T

L

L

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Q

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T

L

L

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P

E

R

R

D

E

E

Y

M

L

I

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C

A

G

F

M

A

A

E
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E

V

V

K

K

Y

A

G

G

M

F

I

I

R

A

D

D

K

P

K

V

L

I

F

L

E

D

F

L

L

I

E

E

N

A

S

D

V

P

D

Q

A

A

L

A

K

L

N

D

R

P

D

A

L

G

D

D

S

V

L

L

Q

P

F

E

V

L

V

I

E

R

R

R

S

A

I

I

K

T

N

V

K
|
K

V

A

E

E

I

V

V

V

V

A

E

A

D

S

E

E

K

-

E

-

K

-

N

-

I

L

R
|
R

A

E

L

I

L

L

N
|
N

F

Y

G

G

H
|
H

T

T

F

L

A

G

H
|
H

A

A

I

I

E

E

S

R

I

R

T

E

N

R

Y

Y

K

-

R

R

Y

W

L

R

H
|
H

G

G

E

A

A

A

V

V

S

S

I

V

G

G

M

L

V

V

M

F

A

A

S

A

R

E

L

L

A

A

E

R

K

L

L

A

G

G

Y

R

M

L

S

D

R

D

D

A

E

T

S

A

D

Q

R

R

L

H

K

R

S

T

L

I

L

L

S

S

L

L

G

G

L

L

P

P

V

V

Q

S

V

Y

D

D

F

P

H

D

I

A

K

L

P

P

E

-

Q

Q

V

L

Y

L

E

E

I

I

M

M

L

A

K

G

D

D

K

K

N

T

R

R

D

A

G

G

V

V

L

L

R

R

F

F

V

V

L

V

T

L

V

D

G

G

I

L

G

A

N

K

S

P

active site: R117 (= R115), K139 (= K137), E181 (= E179), K223 (= K221), R233 (= R235), N237 (= N239), H240 (= H242), H244 (= H246), H256 (= H259)
binding zinc ion: E181 (= E179), H240 (= H242), H256 (= H259)

6c5cA Crystal structure of the 3-dehydroquinate synthase (dhqs) domain of aro1 from candida albicans sc5314 in complex with nadh (see paper)
39% identity, 90% coverage: 16:336/355 of query aligns to 14:367/385 of 6c5cA

query
sites
6c5cA

K

K

Y

E

S

T

V

I

F

H

V

V

G

G

E

Y

N

G

L

I

K

A

D

D

-

H

-

I

-

V

-

R

E

E

I

V

I

I

E

A

F

N

I

L

R

A

D

S

K

S

R

T

V

Y

F

V

V

I

I

V

T

T

D
|
D

S

T

N
|
N

L
x
M

F

A

-

R

-

T

-

P

-

Q

-

Y

-

S

S

K

F

L

Y

T

R

D

D

D

F

F

L

K

N

T

E

N

L

L

S

S

Q

E

H

K

-

R

-

P

-

E

-

S

-

R

-

L

L

T

F

Y

V

C

F

V

E

S

A

P

G

G

E
|
E

E

N

S

N

K
|
K

N

N

I

R

N

A

T

T

L

K

M

A

K

A

I

V