SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing CCNA_03104 FitnessBrowser__Caulo:CCNA_03104 to proteins with known functional sites using BLASTp with E ≤ 0.001.

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

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

Q9KNV2 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
46% identity, 96% coverage: 5:360/370 of query aligns to 4:351/361 of Q9KNV2

query
sites
Q9KNV2

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N41 (≠ D45) binding
DGEQYK 70:75 (≠ PGEESK 74:79) binding
GVIGD 104:108 (≠ GVVGD 108:112) binding
TT 128:129 (= TT 132:133) binding
K141 (= K145) binding
KN 150:151 (= KN 154:155) binding
CLTT 168:171 (≠ VLAT 172:175) binding

U3KRF2 3-dehydroquinate synthase, chloroplastic; EC 4.2.3.4 from Actinidia chinensis var. chinensis (Chinese soft-hair kiwi) (see paper)
47% identity, 97% coverage: 5:364/370 of query aligns to 84:439/445 of U3KRF2

query
sites
U3KRF2

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N122 (≠ D45) binding
DGE 153:155 (≠ PGE 74:76) binding
K158 (= K79) binding
GGVIGD 186:191 (≠ GGVVGD 107:112) binding
TT 211:212 (= TT 132:133) binding
K224 (= K145) binding
K233 (= K154) binding
TLNT 251:254 (≠ VLAT 172:175) binding
K308 (= K229) binding

3zokA Structure of 3-dehydroquinate synthase from actinidia chinensis in complex with NAD (see paper)
47% identity, 97% coverage: 5:364/370 of query aligns to 4:359/365 of 3zokA

query
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3zokA

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active site: R122 (= R123), K144 (= K145), E186 (= E187), K228 (= K229), E238 (= E239), R242 (= R243), N246 (= N247), H249 (= H250), H253 (= H254), H266 (= H268)
binding glycine: D138 (= D139), K144 (= K145), K228 (= K229), R242 (= R243), L245 (= L246)
binding nicotinamide-adenine-dinucleotide: N42 (≠ D45), T44 (≠ H47), V45 (= V48), I48 (≠ H51), Y49 (≠ H52), D73 (≠ P74), E75 (= E76), K78 (= K79), G106 (= G107), G107 (= G108), V108 (= V109), D111 (= D112), T131 (= T132), T132 (= T133), M134 (≠ L135), D138 (= D139), S139 (= S140), K144 (= K145), K153 (= K154), N154 (= N155), T171 (≠ V172), T174 (= T175), L175 (= L176), P176 (= P177), E179 (= E180), K228 (= K229), H266 (= H268)

3okfA 2.5 angstrom resolution crystal structure of 3-dehydroquinate synthase (arob) from vibrio cholerae
46% identity, 96% coverage: 5:360/370 of query aligns to 5:350/360 of 3okfA

query
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3okfA

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I

Q

Q

V

I

P

P

T
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T

L

L

L
|
L

A

S

Q

Q

V

V

D
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D

S
|
S

S

S

V

V

G

G

K
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K

T

T

A

A

I

V

D

N

T

H

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P

R

L

G

G

K
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K

N
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N

L

M

I

I

G

G

A

A

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F

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Y

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Q

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P

R

K

L

A

V

V

L

V

A

I

D

D

L

T

D

D

V
x
C

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L

A

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L
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L

P
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P

A

A

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E

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A

A

C

A

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E

I

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I

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K

Y

Y

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Y

D

D

F

S

A

A

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W

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L

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A

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D

A

R

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D

D

V

E

D

Q

A

A

L

L

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T

R

Y

A

A

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I

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A

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C

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C

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A

A

E

E

I

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A

A

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D

D

E

E

K

K

E

-

A

-

G

G

R

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R
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R

A

A

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L

N
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N

L

L

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H
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H

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T

F

F

G

G

H
|
H

A

A

I

I

E

E

A

A

E

H

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M

G

G

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Y

G

G

E

N

A

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-

H
|
H

G

G

E

E

A

A

V

V

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S

V

A

G

G

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T

A

V

Q

M

A

A

F

A

R

K

F

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S

A

A

Q

R

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L

Q

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G

L

L

C

I

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D

S

A

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D

Q

A

F

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E

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R

A

I

Q

L

A

A

A

I

I

L

K

K

A

K

A

A

G

H

L

L

P

P

T

V

T

R

L

-

A

-

D

-

V

-

R

T

P

P

E

E

P

N

F

M

S

T

A

F

D

A

A

D

L

F

I

M

A

Q

H

H

C

M

G

M

Q

R

D

D

K

K

A

V

Q

L

G

A

G

G

K

E

L

L

T

R

F

L

V

V

L

L

A

P

R

T

G

S

I

I

G

G

D

T

A

S

F

A

V

V

A

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K

K

D

G

V

V

D

P

R

E

A

A

A

V

L

I

active site: R120 (= R123), K142 (= K145), E184 (= E187), K226 (= K229), R238 (= R243), N242 (= N247), H245 (= H250), H249 (= H254), H262 (= H268)
binding nicotinamide-adenine-dinucleotide: N42 (≠ D45), T44 (≠ H47), V45 (= V48), L48 (≠ H51), Y49 (≠ H52), D71 (≠ P74), E73 (= E76), K76 (= K79), G104 (= G107), G105 (= G108), V106 (= V109), D109 (= D112), T129 (= T132), T130 (= T133), L132 (= L135), D136 (= D139), S137 (= S140), K142 (= K145), K151 (= K154), N152 (= N155), C169 (≠ V172), T172 (= T175), L173 (= L176), P174 (= P177), E177 (= E180)

6llaB Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+ and NAD (see paper)
46% identity, 98% coverage: 2:362/370 of query aligns to 2:356/363 of 6llaB

query
sites
6llaB

I

M

R

E

T

K

V

V

P

T

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V

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T

L

L

G

D

E

E

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Y

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P

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N

I

I

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A

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A

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A

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R

R

K

-

R

-

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A

M

V

I

V

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D
x
N

A

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H
x
T

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x
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G

A

A

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H
x
L

H

Y

G

L

E

H

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L

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Q

A

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A

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L

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D

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E

E

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D

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N

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G

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V

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D

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L

A

T

G

G

F

F

A

A

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R

G

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F

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T

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L
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L

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x
S

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Q

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D

S
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S

S

S

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V

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G

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K

T

T

A

A

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I

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G

L

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D

F

G

A

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W

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L

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E

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N

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E

-

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R
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A

active site: R121 (= R123), K143 (= K145), E185 (= E187), K227 (= K229), E237 (= E239), R242 (= R243), N246 (= N247), H249 (= H250), H253 (= H254), H266 (= H268)
binding magnesium ion: E185 (= E187), H249 (= H250), H266 (= H268)
binding nicotinamide-adenine-dinucleotide: N43 (≠ D45), T45 (≠ H47), L46 (≠ V48), L49 (≠ H51), D72 (≠ P74), E74 (= E76), K77 (= K79), G105 (= G107), G106 (= G108), V107 (= V109), D110 (= D112), T130 (= T132), T131 (= T133), L133 (= L135), S134 (≠ A136), D137 (= D139), S138 (= S140), K143 (= K145), N153 (= N155), C170 (≠ V172), T173 (= T175), L174 (= L176), P175 (= P177), E178 (= E180)

6lk2A Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+, NAD and chlorogenic acid (see paper)
45% identity, 98% coverage: 2:362/370 of query aligns to 2:352/357 of 6lk2A

query
sites
6lk2A

I

M

R

E

T

K

V

V

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V

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T

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L

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D

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E

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Y

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P

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N

I

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D

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A

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W

A

P

A

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L

A

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G

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R

K

-

R

-

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A

A

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D
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N

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x
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x
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A

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H
x
Y

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E

E

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E

F

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I

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A

N

D

D

L

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F

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T

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A

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L

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L

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D

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L

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Q

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D

S
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S

S

S

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V

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K

T

T

A

A

I

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D

N

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H

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L

G

G

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N

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I

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G

A

A

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A

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I

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D

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D

D

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x
C

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L

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E

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E

I

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Y

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I

G

L

D

D

F

G

A

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W

W

L

L

E

E

T

E

N

N

V

I

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D

A

A

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L

M

D

A

R

L

D

D

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N

D

Q

A

A

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M

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A

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A

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I

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R

R

S

C

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C

E

E

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K

A

A

E

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I

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V

V

A

A

E

A

D

D

E

E

K

-

E

-

A

-

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G

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R

A

A

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L

L
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L

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N

L

L

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T
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T

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H

A

A

I

I

E

E

A

A

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E

M

M

G

G

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Y

G

G

E

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W

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H
|
H

G

G

E

E

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A

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A

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A

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G

M

M

A

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M

A

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F

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S

A

A

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R

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L

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G

G

L

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R

A

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A

A

A

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K

A

R

A

A

G

E

L

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P

T

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T

T

L

-

A

-

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-

V

-

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G

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P

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A

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K

F

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A

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D

A

D

L

Y

I

L

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C

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D

D

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A

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Q

M

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I

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T

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F

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M

A

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V

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T

A

A

active site: R121 (= R123), K143 (= K145), E185 (= E187), K227 (= K229), R238 (= R243), N242 (= N247), H245 (= H250), H249 (= H254), H262 (= H268)
binding (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid: D137 (= D139), K143 (= K145), E185 (= E187), K188 (= K190), K227 (= K229), R238 (= R243), L241 (= L246), N242 (= N247), H245 (= H250), T246 (= T251), H249 (= H254), H262 (= H268)
binding magnesium ion: E185 (= E187), H245 (= H250), H262 (= H268)
binding nicotinamide-adenine-dinucleotide: N43 (≠ D45), T45 (≠ H47), L46 (≠ V48), Y50 (≠ H52), D72 (≠ P74), E74 (= E76), K77 (= K79), G105 (= G107), G106 (= G108), V107 (= V109), D110 (= D112), T130 (= T132), T131 (= T133), L133 (= L135), D137 (= D139), S138 (= S140), K143 (= K145), N153 (= N155), C170 (≠ V172), T173 (= T175), L174 (= L176), P175 (= P177), E178 (= E180)

5eksA Structure of 3-dehydroquinate synthase from acinetobacter baumannii in complex with NAD
46% identity, 97% coverage: 2:361/370 of query aligns to 2:346/355 of 5eksA

query
sites
5eksA

I

M

R

Q

T

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P

H

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L

L

-

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A

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A

Y

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I

L

H

G

G

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R

Q

K

-

R

-

V

V

A

M

V

I

V

V

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D
x
N

A

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x
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V
|
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A

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x
L

H
x
Y

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A

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A

A

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G

G

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A

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I

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x
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E

E

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Q

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H

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L

A

N

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L

L

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A

L

L

A

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L

A

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E

N

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D

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A

A

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L

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M

A

A

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G

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F

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A

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A

A

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R

G

G

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Y

F

F

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Q

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T
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T

L

L

L
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L

A
x
S

Q

Q

V

V

D
|
D

S
|
S

S

S

V

V

G

G

K
|
K

T

T

A

G

I

I

D

N

T

H

P

P

R

L

G

G

K

K

N
|
N

L

M

I

L

G

G

A

A

F

F

H

Q

Q

Q

P

P

R

Q

L

V

V

V

L

L

A

A

D

D

L

M

D

A

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x
Q

L

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A

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T

L
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L

P
|
P

A

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R

R

E
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E

L

L

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C

A

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E

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Y

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A

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L

G

G

D

D

F

E

A

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F

F

F

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E

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W

W

L

L

E

E

T

E

N

N

V

M

Q

D

A

G

V

L

L

V

D

A

R

R

D

D

V

A

D

D

A

L

L

L

V

A

R

E

A

A

V

V

G

Y

R

R

S

S

V

C

E

A

M

H

K
|
K

A

A

E

R

I

I

V

V

A

A

E

N

D

D

E

E

K

K

E

E

A

-

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

I

I

E

E

A

S

E

Y

M

L

G

G

F

Y

G

G

E

T

A

W

L

L

K

-

H
|
H

G

G

E

E

A

A

V

V

G

A

V

T

G

G

M

M

A

V

Q

M

A

A

F

A

R

D

F

L

S

S

A

Q

R

R

L

L

G

G

L

W

C

I

P

S

S

N

Q

E

D

D

A

V

V

A

R

R

A

T

Q

K

A

K

A

I

I

I

K

Q

A

R

A

A

G

N

L

L

P

P

T

I

T

S

L

C

A

P

D

Q

V

I

R

-

P

-

E

-

P

-

F

-

S

P

A

L

D

D

A

D

L

F

I

L

A

G

H

Y

C

M

G

A

Q

H

D

D

K

K

A

V

Q

Q

G

-

K

-

L

L

T

R

F

L

V

V

L

L

A

L

R

K

G

Q

I

L

G

G

D

Q

A

A

F

V

V

I

A

T

K

K

D

D

V

F

D

D

R

V

A

E

A

L

L

M

K

K

active site: R120 (= R123), K142 (= K145), E184 (= E187), K226 (= K229), R237 (= R243), N241 (= N247), H244 (= H250), H248 (= H254), H261 (= H268)
binding magnesium ion: E184 (= E187), H244 (= H250), H261 (= H268)
binding nicotinamide-adenine-dinucleotide: N42 (≠ D45), T44 (≠ H47), V45 (= V48), L48 (≠ H51), Y49 (≠ H52), D71 (≠ P74), E73 (= E76), K76 (= K79), G104 (= G107), G105 (= G108), V106 (= V109), D109 (= D112), T129 (= T132), T130 (= T133), L132 (= L135), S133 (≠ A136), D136 (= D139), S137 (= S140), K142 (= K145), N152 (= N155), Q169 (≠ V172), T172 (= T175), L173 (= L176), P174 (= P177), E177 (= E180)

Q5NFS1 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
44% identity, 89% coverage: 37:364/370 of query aligns to 34:355/359 of Q5NFS1

query
sites
Q5NFS1

R

N

K

K

R

Q

V

V

A

L

V

V

T

T

D
x
N

A

T

H

T

V

V

G

A

A

K

H

L

H

Y

G

L

E

T

R

K

L

F

S

L

A

A

L

L

Q

V

G

D

A

-

G

D

I

L

T

D

V

V

D

R

L

T

I

C

T

I

I

L

A

E

P
x
D

G
|
G

E
|
E

E
x
Q

S
x
Y

K
|
K

S

S

F

Q

E

Q

G

S

L

L

A

D

D

K

L

I

S

L

D

S

R

T

L

L

A

E

L

N

N

H

L

F

E

T

R

R

G

N

D

S

Q

T

I

V

-

L

V

V

A

A

L

L

G

G

G
|
G

V
|
V

V
x
I

G
|
G

D
|
D

L

I

A

T

G

G

F

F

A

A

I

I

Y

Y

K

Q

R

R

G

G

I

I

D

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

D

N

T

H

P

Q

R

L

G

G

K

K

N

N

L

M

I

I

G

G

A

A

F

F

H

Y

Q

Q

P

P

R

K

L

V

V

V

L

Y

A

T

D

S

L

I

D

E

V
x
F

L
x
Y

A
x
K

T
|
T

L

L

P

P

A

Q

R

R

E

E

L

Y

A

I

C

A

G

G

Y

M

A

A

E

E

I

V

K

K

Y

Y

G

A

L

F

L

I

G

S

D

K

F

-

A

D

F

F

F

Y

E

L

W

W

L

L

E

D

T

S

N

N

V

R

Q

D

A

K

V

I

L

L

D

A

R

K

D

D

V

S

D

V

A

T

L

L

V

I

R

E

A

M

V

V

G

K

R

R

S

S

V

C

E

Q

M

I

K

K

A

A

E

Q

I

V

V

V

A

A

E

M

D

D

E

E

K

K

E

E

-

L

A

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

I

I

E

E

A

K

E

C

M

Q

G

N

F

Y

G

-

E

R

A

G

L

L

K

K

H

H

G

G

E

E

A

A

V

V

G

G

V

V

G

G

M

M

A

A

Q

Q

A

A

F

I

R

D

F

F

S

S

A

H

R

Y

L

L

G

G

L

L

C

I

P

S

S

Q

Q

Q

D

Q

A

A

V

K

R

D

A

F

Q

N

A

D

A

F

I

I

K

V

A

S

A

F

G

G

L

I

P

S

T

I

T

D

L

F

-

P

A

N

D

D

V

I

R

C

P

Q

E

K

P

E

F

F

S

L

A

E

D

A

A

M

L

L

I

L

A

-

H

-

C

-

G

-

Q

-

D

D

K

K

A

N

Q

S

G

N

G

K

K

E

L

L

T

K

F

F

V

I

L

L

A

I

R

E

G

N

I

I

G

G

D

S

A

L

F

S

V

L

A

Q

K

K

D

Q

V

-

D

S

R

K

A

N

A

E

L

L

K

E

A

Q

F

F

L

L

N42 (≠ D45) binding
DGEQYK 70:75 (≠ PGEESK 74:79) binding
GVIGD 105:109 (≠ GVVGD 108:112) binding
TT 129:130 (= TT 132:133) binding
K142 (= K145) binding
FYKT 169:172 (≠ VLAT 172:175) binding

5hvnA 3.0 angstrom crystal structure of 3-dehydroquinate synthase (arob) from francisella tularensis in complex with NAD.
43% identity, 89% coverage: 37:364/370 of query aligns to 37:350/354 of 5hvnA

query
sites
5hvnA

R

N

K

K

R

Q

V

V

A

L

V

V

T

T

D
x
N

A

T

H
x
T

V
|
V

G

A

A

K

H
x
L

H
x
Y

G

L

E

T

R

K

L

F

S

L

A

A

L

L

Q

V

G

D

A

-

G

D

I

L

T

D

V

V

D

R

L

T

I

C

T

I

I

L

A

E

P
x
D

G

G

E
|
E

E

Q

S

Y

K
|
K

S

S

F

Q

E

Q

G

S

L

L

A

D

D

K

L

I

S

L

D

S

R

T

L

L

A

E

L

N

N

H

L

F

E

T

R

R

G

N

D

S

Q

T

I

V

-

L

V

V

A

A

L

L

G

G

G
|
G

V
|
V

V

I

G

G

D
|
D

L

I

A

T

G

G

F

F

A

A

I

I

Y

Y

K

Q

R
|
R

G

G

I

I

D

D

F

F

V

I

Q

Q

V

I

P

P

T
|
T

L

L

L
|
L

A
x
S

Q

Q

V

V

D
|
D

S
|
S

S

S

V

V

G

G

K
|
K

T

T

A

A

I

I

D

N

T

H

P

Q

R

L

G

G

K

K

N
|
N

L

M

I

I

G

G

A

A

F

F

H

Y

Q

Q

P

P

R

K

L

V

V

V

L

Y

A

T

D

S

L

I

D

E

V
x
F

L

Y

A

K

T
|
T

L
|
L

P
|
P

A

Q

R

R

E
|
E

L

Y

A

I

C

A

G

G

Y

M

A

A

E
|
E

I

V

K

K

Y

Y

G

A

L

F

L

I

G

S

D

K

F

-

A

D

F

F

F

Y

E

L

W

W

L

L

E

D

T

S

N

N

V

R

Q

D

A

K

V

I

L

L

D

A

R

K

D

D

V

S

D

V

A

T

L

L

V

I

R

E

A

M

V

V

G

K

R

R

S

S

V

C

E

Q

M

I

K
|
K

A

A

E

Q

I

V

V

V

A

A

E

M

D

D

E

-

K

-

E

-

A

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

I

I

E

E

A

K

E

C

M

Q

G

N

F

Y

G

-

E

R

A

G

L

L

K

K

H
|
H

G

G

E

E

A

A

V

V

G

G

V

V

G

G

M

M

A

A

Q

Q

A

A

F

I

R

D

F

F

S

S

A

H

R

Y

L

L

G

G

L

L

C

I

P

S

S

Q

Q

Q

D

Q

A

A

V

K

R

D

A

F

Q

N

A

D

A

F

I

I

K

V

A

S

A

F

G

G

L

I

P

S

T

I

T

D

L

F

-

P

A

N

D

D

V

I

R

C

P

Q

E

K

P

E

F

F

S

L

A

E

D

A

A

M

L

L

I

L

A

-

H

-

C

-

G

-

Q

-

D

D

K

N

K

K

A

-

Q

-

G

-

K

E

L

L

T

K

F

F

V

I

L

L

A

I

R

E

G

N

I

I

G

G

D

S

A

L

F

S

V

L

A

Q

K

K

D

Q

V

-

D

S

R

K

A

N

A

E

L

L

K

E

A

Q

F

F

L

L

active site: R123 (= R123), K145 (= K145), E187 (= E187), K228 (= K229), R239 (= R243), N243 (= N247), H246 (= H250), H250 (= H254), H263 (= H268)
binding nicotinamide-adenine-dinucleotide: N45 (≠ D45), T47 (≠ H47), V48 (= V48), L51 (≠ H51), Y52 (≠ H52), D73 (≠ P74), E75 (= E76), K78 (= K79), G107 (= G107), G108 (= G108), V109 (= V109), D112 (= D112), T132 (= T132), T133 (= T133), L135 (= L135), S136 (≠ A136), D139 (= D139), S140 (= S140), K145 (= K145), N155 (= N155), F172 (≠ V172), T175 (= T175), L176 (= L176), P177 (= P177), E180 (= E180)

P56081 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
37% identity, 97% coverage: 2:360/370 of query aligns to 1:335/343 of P56081

query
sites
P56081

I

M

R

Q

T

E

V

I

P

L

V

I

G

P

L

L

G

K

E

E

R

K

A

N

Y

Y

D

K

V

V

V

F

I

L

G

G

P

E

G

-

L

-

D

-

Q

-

A

-

G

-

E

-

R

-

V

-

A

L

A

P

V

E

L

I

G

K

K

L

R

K

K

Q

R

K

V

A

A

L

V

I

T

S

D

D

A

S

H

I

V

V

G

A

A

G

H

L

H

H

G

L

E

P

R

Y

L

L

S

L

A

E

A

R

L

L

Q

K

G

A

A

-

G

-

I

L

T

E

V

V

D

R

L

V

I

C

T

V

I

I

A

E

P
x
S

G
|
G

E
|
E

E
x
K

S
x
Y

K
|
K

S

N

F

F

E

H

G

S

L

L

A

E

D

R

L

I

S

L

D

N

R

N

L

A

L

F

A

E

L

M

N

Q

L

L

E

N

R

R

G

H

D

S

Q

L

I

M

V

I

A

A

L

L

G

G

G
|
G

V
|
V

V

I

G

S

D

D

L

M

A

V

G

G

F

F

A

A

A

S

I

I

Y

Y

K

F

R

R

G

G

I

I

D

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

D

N

T

T

P

P

R

Y

G

G

K

K

N
|
N

L

L

I

I

G

G

A

S

F

F

H

H

Q

Q

P

P

R

K

L

A

V

V

L

Y

A

M

D

D

L

L

D

A

V
x
F

L
|
L

A
x
K

T
|
T

L

L

P

E

A

K

R

R

E

E

L

F

A

Q

C

A

G

G

Y

V

A

A

E

E

I

I

K

K

Y

M

G

A

L

V

L

C

G

F

D

D

F

K

A

N

F

L

F

V

E

E

W

R

L

L

E

E

T

T

N

-

V

-

Q

-

A

-

V

-

L

-

D

-

R

K

D

D

V

L

-

K

D

D

A

C

L

L

V

E

R

E

A

V

V

I

G

F

R

Q

S

S

V

V

E

N

M

I

K

K

A

A

E

Q

I

V

V

V

A

V

E

Q

D

D

E

E

K

K

E

E

A

Q

G

N

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

I

I

E

E

A

K

E

E

M

T

G

D

F

Y

G

-

E

E

A

R

L

F

K

L

H

H

G

G

E

E

A

A

V

I

G

A

V

I

G

G

M

M

A

R

Q

M

A

A

F

N

R

D

F

L

S

A

A

L

R

S

L

L

G

G

L

M

C

L

P

T

S

L

Q

K

D

E

A

Y

V

E

R

R

A

I

Q

E

A

N

A

L

I

L

K

K

A

K

A

F

G

D

L

L

P

I

T

F

T

H

L

Y

A

K

D

I

V

L

R

D

P

L

E

Q

P

K

F

F

S

Y

A

E

D

R

A

L

L

F

I

L

A

-

H

-

C

-

G

-

Q

-

D

D

K

K

A

S

Q

E

G

N

G

K

K

T

L

I

T

K

F

F

V

I

L

L

A

P

R

K

G

G

I

V

G

G

D

A

A

F

F

E

V

V

A

A

K

S

D

H

V

I

D

P

R

K

A

E

A

T

L

I

SGEKYK 61:66 (≠ PGEESK 74:79) binding
GV 95:96 (= GV 108:109) binding
TT 119:120 (= TT 132:133) binding
N142 (= N155) binding
FLKT 159:162 (≠ VLAT 172:175) binding

6hqvA Pentafunctional arom complex from chaetomium thermophilum (see paper)
41% identity, 87% coverage: 42:364/370 of query aligns to 39:384/1555 of 6hqvA

query
sites
6hqvA

V

L

V

I

T

T

D
|
D

A

T

H
x
N

V
x
L

G

Y

A

T

H

T

H
x
Y

G

V

E

P

R

P

L

F

S

Q

A

A

A

V

L

F

Q

E

G

A

A

A

G

A

I

P

T

R

-

D

V

V

D

R

L

L

I

L

T

T

-

Y

-

A

I

I

A

P

P
|
P

G
|
G

E
|
E

E

Y

S

S

K
|
K

S

S

F

R

E

E

G

T

L

K

A

A

D

E

L

I

S

E

D

D

R

W

L

M

L

L

A

S

L

H

N

A

L

C

E

T

R

R

G

D

D

T

Q

V

I

I

V

I

A

A

L

L

G

G

G
|
G

V
|
V

V

I

G

G

D
|
D

L

M

A

I

G

G

F

Y

A

V

A

A

I

T

Y

F

K

M

R
|
R

G

G

I

V

D

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

D

D

T

T

P

P

R

M

G

G

K
|
K

N
|
N

L

L

I

I

G

G

A

A

F

F

H

W

Q

Q

P

P

R

R

L

R

V

I

L

Y

A

I

D

D

L

L

D

A

V
x
F

L

L

A

E

T
|
T

L
|
L

P
|
P

A

V

R

R

E
|
E

L

F

A

I

C

N

G

G

Y

M

A

A

E
|
E

I

V

I

I

K

K

Y

T

G

A

L

A

L

I

G

W

D

N

F

E

A

T

F

E

F

F

E

T

W

A

L

L

E

E

T

E

N

N

V

A

Q

A

A

A

V

I

L

L

D

E

-

A

-

V

-

R

-

S

-

K

-

A

-

S

-

P

-

A

-

R

-

L

-

A

-

P

-

I

R

R

D

H

V

I

D

-

A

-

L

L

V

K

R

R

A

I

V

V

G

L

R

G

S

S

V

A

E

R

M

V

K
|
K

A

A

E

E

I

V

V

V

A

S

E

A

D

D

E

E

K

R

E
|
E

A

G

G

G

R

L

R
|
R

A

N

L

L

L
|
L

N
|
N

L

F

G

G

H
|
H

T

S

F

I

G

G

H
|
H

A

A

I

Y

E

E

A

A

E

I

M

L

G

-

F

-

G

A

E

P

A

Q

L

V

K

L

H
|
H

G

G

E

E

A

C

V

V

G

A

V

I

G

G

M

M

A

V

Q

K

A

E

F

A

R

E

F

L

S

A

A

R

R

Y

L

L

G

G

L

V

C

L

P

R

S

P

Q

S

D

A

A

V

V

A

R

R

A

L

Q

T

A

K

A

L

I

I

K

A

A

S

A

Y

G

D

L

L

P

P

T

T

T

S

L

V

A

H

D

D

V

K

R

R

P

I

E

A

P

K

F

L

S

S

A

A

-

G

-

K

-

E

-

C

-

P

-

V

D

D

A

V

L

L

I

L

A

Q

H

K

C

M

G

A

Q

V

D

D

K

K

A

N

Q

E

G

G

G

R

K

K

L

K

T

K

F

I

V

V

L

L

A

L

R

S

G

A

I

I

G

G

D

K

A

T

F

Y

V

E

A

K

K

K

D

A

-

T

-

V

V

V

D

D

R

D

A

R

A

A

L

I

K

R

A

L

F

V

L

L

active site: R123 (= R123), K145 (= K145), E187 (= E187), K243 (= K229), E253 (= E239), R257 (= R243), N261 (= N247), H264 (= H250), H268 (= H254), H280 (= H268)
binding glutamic acid: D139 (= D139), K145 (= K145), E187 (= E187), K243 (= K229), R257 (= R243), L260 (= L246), N261 (= N247), H264 (= H250), H280 (= H268)
binding nicotinamide-adenine-dinucleotide: D42 (= D45), N44 (≠ H47), L45 (≠ V48), Y49 (≠ H52), P74 (= P74), G75 (= G75), E76 (= E76), K79 (= K79), G107 (= G107), G108 (= G108), V109 (= V109), D112 (= D112), T132 (= T132), T133 (= T133), L135 (= L135), D139 (= D139), S140 (= S140), K145 (= K145), K154 (= K154), N155 (= N155), F172 (≠ V172), T175 (= T175), L176 (= L176), P177 (= P177), E180 (= E180), E187 (= E187), K243 (= K229), H280 (= H268)
binding zinc ion: E187 (= E187), H264 (= H250), H280 (= H268)

Sites not aligning to the query:

binding (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid: 1036, 1060, 1062, 1094, 1153, 1181, 1214, 1224, 1232, 1242, 1243, 1246
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: 409, 413, 483, 562, 563, 593, 874, 922, 923, 924, 979, 1269, 1277, 1279, 1321, 1322, 1323, 1327, 1348, 1368, 1526, 1530

1dqsA Crystal structure of dehydroquinate synthase (dhqs) complexed with carbaphosphonate, NAD+ and zn2+ (see paper)
41% identity, 84% coverage: 42:350/370 of query aligns to 38:365/381 of 1dqsA

query
sites
1dqsA

V

L

V

V

T

T

D
|
D

A

T

H
x
N

V
x
I

G

G

A

S

H

I

H
x
Y

G

T

E

P

R

S

L

F

S

E

A

E

A

A

L

F

Q

R

-

K

-

R

G

A

A

A

G

E

I

I

T

T

V

P

D

S

-

P

-

R

-

L

L

I

I

Y

T

N

I

R

A

P

P

P

G
|
G

E
|
E

E

V

S

S

K
|
K

S

S

F

R

E

Q

G

T

L

K

A

A

D

D

L

I

S

E

D

D

R

W

L

M

L

L

A

S

L

Q

N

N

L

P

E

P

-

C

-

G

R

R

G

D

D

T

Q

V

I

V

V

I

A

A

L

L

G

G

G
|
G

V
|
V

V

I

G

G

D
|
D

L

L

A

T

G

G

F

F

A

V

A

A

A

S

I

T

Y

Y

K

M

R
|
R

G

G

I

V

D

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

D

D

T

T

P

P

R

L

G

G

K
|
K

N
|
N

L

L

I

I

G

G

A

A

F

I

H

W

Q

Q

P

P

R

T

L

K

V

I

L

Y

A

I

D

D

L

L

D

E

V
x
F

L

L

A

E

T
|
T

L
|
L

P
|
P

A

V

R

R

E
|
E

L

F

A

I

C

N