SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_013430318.1 NCBI__GCF_000166775.1:WP_013430318.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

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

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

Q9KNV2 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
35% identity, 98% coverage: 3:354/361 of query aligns to 2:359/361 of Q9KNV2

query
sites
Q9KNV2

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N41 (≠ D44) binding NAD(+)
D-GEQYK 70:75 (≠ DEGEESK 67:73) binding NAD(+)
GVIGD 104:108 (= GVIGD 102:106) binding NAD(+)
TT 128:129 (= TT 126:127) binding NAD(+)
K141 (= K139) binding NAD(+)
KN 150:151 (= KN 148:149) binding NAD(+)
CLTT 168:171 (≠ FLET 166:169) binding NAD(+)

U3KRF2 3-dehydroquinate synthase, chloroplastic; EC 4.2.3.4 from Actinidia chinensis var. chinensis (Chinese soft-hair kiwi) (see paper)
41% identity, 74% coverage: 65:332/361 of query aligns to 150:418/445 of U3KRF2

query
sites
U3KRF2

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DGE 153:155 (≠ EGE 68:70) binding NAD(+)
K158 (= K73) binding NAD(+)
GGVIGD 186:191 (= GGVIGD 101:106) binding NAD(+)
TT 211:212 (= TT 126:127) binding NAD(+)
K224 (= K139) binding NAD(+)
K233 (= K148) binding NAD(+)
TLNT 251:254 (≠ FLET 166:169) binding NAD(+)
K308 (= K225) binding NAD(+)

Sites not aligning to the query:

122 binding NAD(+)

3zokA Structure of 3-dehydroquinate synthase from actinidia chinensis in complex with NAD (see paper)
40% identity, 83% coverage: 35:332/361 of query aligns to 42:338/365 of 3zokA

query
sites
3zokA

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active site: R122 (= R117), K144 (= K139), E186 (= E181), K228 (= K225), E238 (= E235), R242 (= R239), N246 (= N243), H249 (= H246), H253 (= H250), H266 (= H262)
binding glycine: K144 (= K139), K228 (= K225), R242 (= R239)
binding nicotinamide-adenine-dinucleotide: T44 (≠ S37), V45 (≠ N38), D73 (= D67), E75 (= E70), K78 (= K73), G106 (= G101), G107 (= G102), V108 (= V103), D111 (= D106), T131 (= T126), T132 (= T127), M134 (≠ L129), D138 (= D133), S139 (= S134), K144 (= K139), K153 (= K148), T174 (= T169), L175 (= L170), E179 (= E174), H266 (= H262)

3okfA 2.5 angstrom resolution crystal structure of 3-dehydroquinate synthase (arob) from vibrio cholerae
34% identity, 98% coverage: 3:354/361 of query aligns to 3:358/360 of 3okfA

query
sites
3okfA

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I

K
|
K

V

A

E

E

V

V

V

V

E

A

N

Q

D

D

E

E

K

K

E

G

S

-

H

-

L

I

R
|
R

E

A

V

L

L

L

N
|
N

F

L

G

G

H
|
H

T

T

V

F

G

G

H
|
H

A

A

L

I

E

E

T

A

Y

H

Y

M

N

G

Y

Y

-

G

H

N

F

W

S

L

H
|
H

G

G

I

E

F

A

V

V

I

S

F

A

G

G

M

T

V

V

A

M

E

A

M

A

I

K

L

T

S

A

N

Q

I

L

L

Q

F

G

N

L

F

I

D

D

L

A

S

S

N

Q

L

F

D

E

F

R

L

I

I

L

R

A

I

I

L

L

E

K

K

K

N

A

N

H

-

L

-

P

I

V

K

R

L

T

P

P

Q

E

R

N

F

M

E

T

K

F

S

A

Q

D

I

F

I

M

S

Q

I

H

M

M

K

M

Y

R

D

D

K

K

K

K

N

V

I

L

N

A

A

G

S

E

I

L

R

R

M

L

V

V

L

L

L

P

K

T

D

S

V

I

C

G

D

T

Y

S

V

A

L

V

G

V

H

K

K

G

I

V

D

P

E

E

D

A

V

V

L

I

Y

A

K

Q

A

A

L

I

-

E

-

Y

C

C

K

R

active site: R120 (= R117), K142 (= K139), E184 (= E181), K226 (= K225), R238 (= R239), N242 (= N243), H245 (= H246), H249 (= H250), H262 (= H262)
binding nicotinamide-adenine-dinucleotide: N42 (≠ D44), L48 (= L50), D71 (= D67), E73 (= E70), K76 (= K73), G104 (= G101), G105 (= G102), V106 (= V103), D109 (= D106), T129 (= T126), T130 (= T127), L132 (= L129), D136 (= D133), T172 (= T169), L173 (= L170), E177 (= E174)

P9WPX9 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
39% identity, 67% coverage: 89:331/361 of query aligns to 94:335/362 of P9WPX9

query
sites
P9WPX9

N

G

V

I

D

G

R

R

R

K

A

D

L

A

F

L

V

V

A

S

I

L

G

G

G

G

G
|
G

V
x
A

I
x
A

G
x
T

D
|
D

V

V

V

A

G

G

F

F

I

A

A

A

S

A

T

T

Y

W

K

L

R

R

G

G

V

V

K

S

L

I

I

V

H

H

I

L

P

P

T
|
T

T
|
T

L

L

L

L

S

G

M

M

V

V

D

D

S

A

S

A

I

V

G

G

G

G

K
|
K

T

T

G

G

I

I

N

N

H

T

K

D

S

A

Y

G

K

K

N

N

Q

L

I

V

G

G

T

A

F

F

Y

H

Q

Q

P

P

E

L

M

A

I

V

I

L

I

V

S

D

P

L

K

A

F
x
T

L
|
L

E
x
Q

T
|
T

L

L

P

P

K

R

S

D

E

E

I

M

L

I

S

C

G

G

F

M

G

A

E

E

I

V

I

V

K

K

Y

A

G

G

F

F

T

I

L

A

D

D

K

P

S

V

I

I

L

L

D

D

M

L

K

I

D

E

R

A

F

D

E

P

N

Q

D

A

V

A

F

L

E

D

I

P

F

A

Q

G

D

D

K

V

I

L

L

-

A

-

M

P

Q

E

L

L

I

I

K

R

K

R

S

A

I

I

N

T

C

V

K

K

V

A

E

E

V

V

V

V

E

A

N

A

D

D

E

E

K

K

E

E

S

S

H

E

L

L

R

R

E

E

V

I

L

L

N

N

F

Y

G

G

H

H

T

T

V

L

G

G

H

H

A

A

L

I

E

E

T

R

Y

R

Y

E

N

R

Y

Y

H

R

F

W

S

R

H

H

G

G

I

A

F

A

V

V

I

S

F

V

G

G

M

L

V

V

A

F

E

A

M

A

I

E

L

L

S

A

N

R

I

L

L

A

F

G

N

R

F

L

D

D

L

D

S

A

N

T

L

A

D

Q

F

R

L

H

I

R

R

T

I

I

L

L

E

-

K

-

N

S

N

S

I

L

K

G

L

L

P

P

Q

V

R

S

F

Y

E

D

K

P

-

D

-

A

-

L

S

P

Q

Q

I

L

I

L

S

E

I

I

M

M

K

A

Y

G

D

D

K

K

K

K

N

T

I

R

N

A

A

G

S

V

I

L

R

R

M

F

V

V

L

V

L

L

GAATD 107:111 (≠ GVIGD 102:106) binding NAD(+)
TT 131:132 (= TT 126:127) binding NAD(+)
K144 (= K139) binding NAD(+)
TLQT 171:174 (≠ FLET 166:169) binding NAD(+)

Sites not aligning to the query:

45 binding NAD(+)
73:78 binding NAD(+)

1xagA Crystal structure of staphlyococcus aureus 3-dehydroquinate synthase (dhqs) in complex with zn2+, NAD+ and carbaphosphonate (see paper)
36% identity, 96% coverage: 7:351/361 of query aligns to 3:345/353 of 1xagA

query
sites
1xagA

L

L

S

Q

L

T

K

T

R

Y

E

P

E

S

K

N

N

N

I

Y

P

P

I

I

I

-

F

Y

I

V

E

E

-

H

-

G

S

A

I

I

E

K

K

Y

T

I

G

G

E

T

Y

Y

L

L

A

N

S

Q

F

F

N

D

C

Q

S

S

N

F

L

L

V

L

I

I

F

-

T

-

D
|
D

K

E

M
x
Y

V
|
V

Y

N

R

Q

L
x
Y

Y

F

K

A

D

N

-

K

F

F

I

D

D

D

S

I

L

L

S

S

Y

Y

S

E

Y

N

L

V

Y

H

-

K

-

V

L

I

F

I

D

P

E

A

G

G

E
|
E

E

K

S

T

K
|
K

S

T

I

F

E

E

S

Q

Y

Y

L

Q

K

E

A

T

I

L

D

E

Y

Y

L

I

L

L

D

S

R

H

N

H

V

V

D

T

R

R

R

N

A

T

L

A

F

I

V

I

A

A

I

V

G

G

G
|
G

G
|
G

V
x
A

I

T

G

G

D
|
D

V

F

V

A

G

G

F

F

I

V

A

A

S

A

T

T

Y

L

K

L

R
|
R

G

G

V

V

K

H

L

F

I

I

H

Q

I

V

P

P

T
|
T

T
|
T

L

I

L
|
L

S

A

M

H

V

-

D
|
D

S
|
S

S

S

I

V

G

G

G

G

K
|
K

T

V

G

G

I

I

N

N

H

S

K

K

S

Q

Y

G

K
|
K

N
|
N

Q

L

I

I

G

G

T

A

F

F

Y

Y

Q

R

P

P

E

T

M

A

I

V

I

I

I

Y

S

D

P

L

K

D

F

F

L

L

E

K

T
|
T

L
|
L

P

P

K

F

S

K

E
x
Q

I

I

L

L

S

S

G

G

F

Y

G

A

E
|
E

I

V

I

Y

K

K

Y

H

G

A

-

L

F

L

T

N

L

G

D

E

K

S

S

A

I

T

L

Q

D

D

M

I

K

E

D

Q

R

H

F

F

E

K

N

D

D

R

V

-

F

-

E

E

I

I

F

L

Q

Q

D

S

K

L

I

N

L

G

A

M

M

D

Q

K

L

Y

I

I

K

A

K

K

S

G

I

I

N

E

C

T

K
|
K

V

L

E

D

V

I

V

V

E

V

N

A

D

D

E

E

K

K

E
|
E

S

Q

H

G

L

V

R
|
R

E

K

V

F

L
|
L

N
|
N

F

L

G

G

H
|
H

T

T

V

F

G

G

H
|
H

A

A

L

V

E

E

T

Y

Y

Y

Y

H

N

K

Y

-

H

-

F

I

S

P

H
|
H

G

G

I

H

F

A

V

V

I

M

F

V

G

G

M

I

V

I

A

Y

E

Q

M

F

I

I

L

V

S

A

N

N

I

A

L

L

F

F

N

D

-

S

-

K

F

H

D

D

L

I

S

S

N

H

-

Y

L

I

D

Q

F

Y

L

L

I

I

R

Q

I

L

L

G

E

Y

K

P

N

L

N

D

I

M

K

I

L

T

P

D

Q

L

R

D

F

F

E

E

K

T

S

-

Q

-

I

L

I

Y

S

Q

I

Y

M

M

K

L

Y

S

D

D

K
|
K

K

K

N

N

I

D

N

K

A

Q

S

G

I

V

R

Q

M

M

V

V

L

L

L

M

K

R

D

Q

V

F

C

G

D

D

Y

I

V

V

L

V

G

Q

H

H

K

-

I

V

D

D

E

Q

D

L

V

T

L

L

Y

Q

K

H

A

A

active site: R115 (= R117), K136 (= K139), E178 (= E181), K221 (= K225), E231 (= E235), R235 (= R239), N239 (= N243), H242 (= H246), H246 (= H250), H256 (= H262)
binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: K136 (= K139), N146 (= N149), E178 (= E181), K221 (= K225), R235 (= R239), L238 (= L242), N239 (= N243), H242 (= H246), H246 (= H250), K314 (= K319)
binding nicotinamide-adenine-dinucleotide: D39 (= D44), Y41 (≠ M46), V42 (= V47), Y45 (≠ L50), E68 (= E70), K71 (= K73), G99 (= G101), G100 (= G102), A101 (≠ V103), D104 (= D106), T124 (= T126), T125 (= T127), L127 (= L129), D130 (= D133), S131 (= S134), K136 (= K139), K145 (= K148), T166 (= T169), L167 (= L170), Q171 (≠ E174), H256 (= H262)
binding zinc ion: E178 (= E181), H242 (= H246), H256 (= H262)

Q6GGU4 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Staphylococcus aureus (strain MRSA252) (see paper)
36% identity, 96% coverage: 7:351/361 of query aligns to 3:345/354 of Q6GGU4

query
sites
Q6GGU4

L

L

S

Q

L

T

K

T

R

Y

E

P

E

S

K

N

N

N

I

Y

P

P

I

I

I

-

F

F

I

V

E

E

-

H

-

G

S

A

I

I

E

D

K

H

T

I

G

S

E

T

Y

Y

L

I

A

D

S

Q

F

F

N

D

C

Q

S

S

N

F

L

I

V

L

I

I

F

-

T

-

D
|
D

K

E

M

H

V

V

Y

N

R

Q

L
x
Y

Y

F

K

A

D

D

-

K

F

F

I

N

D

D

S

I

L

L

S

S

Y

Y

S

E

Y

N

L

V

Y

H

-

K

-

V

L

I

F

I

D

P

E

A

G

G

E
|
E

E
x
K

S
x
T

K
|
K

S

T

I

F

E

E

S

Q

Y

Y

L

Q

K

E

A

T

I

L

D

E

Y

Y

L

I

L

L

D

S

R

H

N

H

V

V

D

T

R

R

R

N

A

T

L

A

F

I

V

I

A

A

I

V

G

G

G

G

G
|
G

V
x
A

I
x
T

G
|
G

D
|
D

V

F

V

A

G

G

F

F

I

V

A

A

S

A

T

T

Y

L

K

L

R

R

G

G

V

V

K

H

L

F

I

I

H

Q

I

V

P

P

T
|
T

T
|
T

L

I

L

L

S

A

M

H

V

-

D

D

S

S

S

S

I

V

G

G

G

G

K
|
K

T

V

G

G

I

I

N

N

H

S

K

K

S

Q

Y

G

K
|
K

N

N

Q

L

I

I

G

G

T

A

F

F

Y

Y

Q

R

P

P

E

T

M

A

I

V

I

I

I

Y

S

D

P

L

K

D

F
|
F

L
|
L

E
x
K

T
|
T

L

L

P

P

K

F

S

E

E

Q

I

I

L

L

S

S

G

G

F

Y

G

A

E
|
E

I

V

I

Y

K

K

Y

H

G

A

-

L

F

L

T

N

L

G

D

E

K

S

S

A

I

T

L

Q

D

D

M

I

K

E

D

Q

R

H

F

F

E

K

N

D

D

R

V

-

F

-

E

E

I

I

F

L

Q

Q

D

S

K

L

I

K

L

G

A

M

M

D

Q

K

L

Y

I

I

K

A

K

K

S

G

I

I

N

E

C

T

K

K

V

L

E

D

V

I

V

V

E

V

N

A

D

D

E

E

K

K

E

E

S

Q

H

G

L

V

R

R

E

K

V

F

L

L

N

N

F

L

G

G

H
|
H

T

T

V

F

G

G

H

H

A

A

L

V

E

E

T

Y

Y

Y

Y

H

N

K

Y

-

H

-

F

I

S

P

H
|
H

G

G

I

H

F

A

V

V

I

M

F

V

G

G

M

I

V

I

A

Y

E

Q

M

F

I

I

L

V

S

A

N

N

I

A

L

L

F

F

N

D

-

S

-

K

F

H

D

D

L

I

S

N

N

H

-

Y

L

I

D

Q

F

Y

L

L

I

I

R

Q

I

L

L

G

E

Y

K

P

N

L

N

D

I

M

K

I

L

T

P

D

Q

L

R

D

F

F

E

E

K

T

S

-

Q

-

I

L

I

Y

S

Q

I

Y

M

M

K

L

Y

S

D

D

K

K

K

K

N

N

I

D

N

K

A

Q

S

G

I

V

R

Q

M

M

V

V

L

L

L

I

K

R

D

Q

V

F

C

G

D

D

Y

I

V

V

L

V

G

Q

H

H

K

-

I

V

D

D

E

Q

D

L

V

T

L

L

Y

Q

K

H

A

A

D39 (= D44) binding NAD(+)
Y45 (≠ L50) binding NAD(+)
EKTK 68:71 (≠ EESK 70:73) binding NAD(+)
GATGD 100:104 (≠ GVIGD 102:106) binding NAD(+)
TT 124:125 (= TT 126:127) binding NAD(+)
K136 (= K139) binding NAD(+)
K145 (= K148) binding NAD(+)
FLKT 163:166 (≠ FLET 166:169) binding NAD(+)
E178 (= E181) binding Zn(2+)
H242 (= H246) binding Zn(2+)
H256 (= H262) binding Zn(2+)

Q5NFS1 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
35% identity, 88% coverage: 19:334/361 of query aligns to 17:338/359 of Q5NFS1

query
sites
Q5NFS1

I

I

F

I

I

V

E

D

S

S

I

V

E

L

K

D

T

F

G

S

E

H

Y

I

L

L

A

E

S

Y

F

V

N

T

C

N

S

K

N

Q

L

V

V

L

I

V

F

V

T

T

D
x
N

K

T

M

T

V

V

Y

A

R

K

L

L

Y

Y

-

L

-

T

-

K

-

F

-

L

K

A

D

A

F

L

I

V

D

D

S

D

L

L

S

D

Y

V

S

R

Y

T

L

C

Y

I

L

L

F

-

D

E

E
x
D

G
|
G

E
|
E

E
x
Q

S
x
Y

K
|
K

S

S

I

Q

E

Q

S

S

Y

L

L

D

K

K

A

I

I

L

D

S

Y

T

L

L

L

L

D

E

R

N

N

H

V

F

D

T

R

R

R

N

A

S

-

T

L

V

F

L

V

V

A

A

I

L

G

G

G

G

G
|
G

V
|
V

I
|
I

G
|
G

D
|
D

V

I

V

T

G

G

F

F

I

A

A

A

S

A

T

I

Y

Y

K

Q

R

R

G

G

V

I

K

D

L

F

I

I

H

Q

I

I

P

P

T
|
T

T
|
T

L

L

L

L

S

S

M

Q

V

V

D

D

S

S

S

S

I

V

G

G

G

G

K
|
K

T

T

G

A

I

I

N

N

H

H

K

Q

S

L

Y

G

K

K

N

N

Q

M

I

I

G

G

T

A

F

F

Y

Y

Q

Q

P

P

E

K

M

V

I

V

I

Y

I

T

S

S

P

I

K

E

F
|
F

L
x
Y

E
x
K

T
|
T

L

L

P

P

K

Q

S

R

E

E

I

Y

L

I

S

A

G

G

F

M

G

A

E

E

I

V

I

V

K

K

Y

Y

G

A

F

F

T

-

L

I

D

S

K

K

S

D

I

F

L

Y

D

L

M

W

K

L

D

D

R

S

F

N

E

R

N

D

D

K

V

I

F

L

E

A

I

-

F

-

Q

K

D

D

K

S

I

V

L

T

A

L

M

I

Q

E

L

M

I

V

K

K

K

R

S

S

I

C

N

Q

C

I

K

K

V

A

E

Q

V

V

V

V

E

A

N

M

D

D

E

E

K

K

E

E

-

L

S

T

H

G

L

A

R

R

E

A

V

I

L

L

N

N

F

F

G

G

H

H

T

T

V

F

G

G

H

H

A

A

L

I

E

E

T

K

Y

C

Y

Q

N

N

Y

Y

H

R

-

G

F

L

S

K

H

H

G

G

I

E

F

A

V

V

I

G

F

V

G

G

M

M

V

A

A

Q

E

A

M

I

I

D

L

F

S

S

N

H

I

Y

L

L

F

G

N

L

F

I

D

S

L

Q

S

Q

N

Q

L

A

-

K

-

D

-

F

-

N

D

D

F

F

L

I

I

V

R

S

I

F

L

-

E

-

K

G

N

I

N

S

I

I

K

D

L

F

P

P

Q

N

R

D

F

I

E

C

K

Q

S

K

Q

E

I

F

I

L

S

E

I

A

M

M

K

L

Y

L

D

D

K

K

K

K

N

N

I

S

N

N

A

K

S

E

I

L

R

K

M

F

V

I

L

L

L

I

K

E

D

N

V

I

N42 (≠ D44) binding NAD(+)
DGEQYK 70:75 (≠ EGEESK 68:73) binding NAD(+)
GVIGD 105:109 (= GVIGD 102:106) binding NAD(+)
TT 129:130 (= TT 126:127) binding NAD(+)
K142 (= K139) binding NAD(+)
FYKT 169:172 (≠ FLET 166:169) binding NAD(+)

3qbeA Crystal structure of the 3-dehydroquinate synthase (arob) from mycobacterium tuberculosis
37% identity, 67% coverage: 89:331/361 of query aligns to 89:326/352 of 3qbeA

query
sites
3qbeA

N

G

V

I

D

G

R

R

R

K

A

D

L

A

F

L

V

V

A

S

I

L

G

G

G

G

G

G

V

A

I

A

G

T

D

D

V

V

V

A

G

G

F

F

I

A

A

A

S

A

T

T

Y

W

K

L

R
|
R

G

G

V

V

K

S

L

I

I

V

H

H

I

L

P

P

T

T

T

T

L

L

L

L

S

G

M

M

V

V

D

D

S

A

S

A

I

V

G

G

G

G

K
|
K

T

T

G

G

I

I

N

N

H

T

K

D

S

A

Y

G

K

K

N

N

Q

L

I

V

G

G

T

A

F

F

Y

H

Q

Q

P

P

E

L

M

A

I

V

I

L

I

V

S

D

P

L

K

A

F

T

L

L

E

Q

T

T

L

L

P

P

K

R

S

D

E

E

I

M

L

I

S

C

G

G

F

M

G

A

E
|
E

I

V

I

V

K

K

Y

A

G

G

F

F

T

I

L

A

D

D

K

P

S

V

I

I

L

L

D

D

M

L

K

I

D

E

R

A

F

D

E

P

N

Q

D

A

V

A

F

L

E

D

I

P

F

A

Q

G

D

D

K

V

I

L

L

-

A

-

M

P

Q

E

L

L

I

I

K

R

K

R

S

A

I

I

N

T

C

V

K
|
K

V

A

E

E

V

V

V

V

E

A

N

A

D

S

E

E

K

-

E

-

S

-

H

-

L

L

R
|
R

E

E

V

I

L

L

N
|
N

F

Y

G

G

H
|
H

T

T

V

L

G

G

H
|
H

A

A

L

I

E

E

T

R

Y

R

Y

E

N

R

Y

Y

H

R

F

W

S

R

H
|
H

G

G

I

A

F

A

V

V

I

S

F

V

G

G

M

L

V

V

A

F

E

A

M

A

I

E

L

L

S

A

N

R

I

L

L

A

F

G

N

R

F

L

D

D

L

D

S

A

N

T

L

A

D

Q

F

R

L

H

I

R

R

T

I

I

L

L

E

-

K

-

N

S

N

S

I

L

K

G

L

L

P

P

Q

V

R

S

F

Y

E

D

K

P

-

D

-

A

-

L

S

P

Q

Q

I

L

I

L

S

E

I

I

M

M

K

A

Y

G

D

D

K

K

K

K

N

T

I

R

N

A

A

G

S

V

I

L

R

R

M

F

V

V

L

V

L

L

active site: R117 (= R117), K139 (= K139), E181 (= E181), K223 (= K225), R233 (= R239), N237 (= N243), H240 (= H246), H244 (= H250), H256 (= H262)
binding zinc ion: E181 (= E181), H240 (= H246), H256 (= H262)

5eksA Structure of 3-dehydroquinate synthase from acinetobacter baumannii in complex with NAD
36% identity, 84% coverage: 51:352/361 of query aligns to 53:349/355 of 5eksA

query
sites
5eksA

Y

Y

K

Q

D

E

F

A

I

L

D

E

S

S

L

L

S

G

Y

K

S

T

Y

V

L

A

Y

T

-

C

L

I

F

L

D

P

E
x
D

G

G

E
|
E

E

K

S

Y

K
|
K

S

D

I

I

E

Q

S

H

Y

L

L

N

K

L

A

I

I

F

D

D

Y

A

L

L

L

L

D

E

R

A

N

G

V

F

D

N

R

R

R

D

A

C

L

T

F

V

V

L

A

A

I

L

G

G

G
|
G

G
|
G

V
|
V

I

I

G

G

D
|
D

V

M

V

A

G

G

F

F

I

A

A

S

S

A

T

C

Y

F

K

Q

R
|
R

G

G

V

V

K

Y

L

F

I

V

H

Q

I

V

P

P

T
|
T

T
|
T

L

L

L

L

S

S

M

Q

V

V

D
|
D

S
|
S

S

S

I

V

G

G

G

G

K
|
K

T

T

G

G

I

I

N

N

H

H

K

P

S

L

Y

G

K

K

N

N

Q

M

I

L

G

G

T

A

F

F

Y

Q

Q

Q

P

P

E

Q

M

V

I

V

I

L

I

A

S

D

P

M

K

A

F

Q

L

L

E

N

T
|
T

L
|
L

P

P

K

E

S

R

E
|
E

I

L

L

S

S

A

G

G

F

L

G

A

E
|
E

I

V

I

I

K

K

Y

Y

G

A

F

L

T

L

L

G

D

D

K

E

S

D

I

F

L

L

D

V

M

W

K

L

D

E

R

-

F

-

E

E

N

N

D

M

V

D

F

G

E

L

I

V

F

A

Q

R

D

D

K

A

I

D

L

L

A

L

M

A

Q

E

L

A

I

V

K

Y

K

R

S

S

I

C

N

A

C

H

K
|
K

V

A

E

R

V

I

V

V

E

A

N

N

D

D

E

E

K

K

E

E

S

-

H

-

L

-

R
|
R

E

A

V

L

L

L

N
|
N

F

L

G

G

H
|
H

T

T

V

F

G

G

H
|
H

A

A

L

I

E

E

T

S

Y

Y

Y

L

N

G

Y

Y

H

G

-

T

F

W

S

L

H
|
H

G

G

I

E

F

A

V

V

I

A

F

T

G

G

M

M

V

V

A

M

E

A

M

A

I

D

L

L

S

S

N

Q

I

R

L

L

F

G

N

W

F

I

D

S

L

N

S

E

N

D

L

V

D

A

F

R

L

T

I

K

R

K

I

I

L

I

E

Q

K

R

N

A

N

N

-

L

-

P

I

I

K

S

L

C

P

P

Q

Q

R

-

F

I

E

P

K

L

S

D

Q

D

I

F

I

L

S

G

I

Y

M

M

K

A

Y

H

D

D

K

K

K

K

N

-

I

-

N

-

A

V

S

Q

I

L

R

R

M

L

V

V

L

L

L

L

K

K

D

Q

V

L

C

G

D

Q

Y

A

V

V

L

I

G

T

H

K

K

D

I

F

D

D

E

V

D

E

V

L

L

M

Y

K

K

Q

A

A

L

I

active site: R120 (= R117), K142 (= K139), E184 (= E181), K226 (= K225), R237 (= R239), N241 (= N243), H244 (= H246), H248 (= H250), H261 (= H262)
binding magnesium ion: E184 (= E181), H244 (= H246), H261 (= H262)
binding nicotinamide-adenine-dinucleotide: D71 (≠ E68), E73 (= E70), K76 (= K73), G104 (= G101), G105 (= G102), V106 (= V103), D109 (= D106), T129 (= T126), T130 (= T127), D136 (= D133), S137 (= S134), K142 (= K139), T172 (= T169), L173 (= L170), E177 (= E174)

Sites not aligning to the query:

binding nicotinamide-adenine-dinucleotide: 42, 45

6llaB Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+ and NAD (see paper)
36% identity, 80% coverage: 65:352/361 of query aligns to 69:358/363 of 6llaB

query
sites
6llaB

L

I

F

L

D

P

E
x
D

G

G

E
|
E

E

Q

S

Y

K
|
K

S

S

I

L

E

F

S

I

Y

M

L

N

K

D

A

V

I

F

D

T

Y

A

L

L

L

L

D

E

R

K

N

H

V

H

D

N

R

R

R

D

A

T

L

T

F

L

V

I

A

A

I

L

G

G

G
|
G

G
|
G

V
|
V

I

I

G

G

D
|
D

V

L

V

T

G

G

F

F

I

A

A

A

S

A

T

S

Y

Y

K

Q

R
|
R

G

G

V

V

K

R

L

F

I

I

H

Q

I

V

P

P

T
|
T

T
|
T

L

L

L
|
L

S

S

M

Q

V

V

D
|
D

S

S

S

S

I

V

G

G

G

G

K
|
K

T

T

G

A

I

V

N

N

H

H

K

P

S

L

Y

G

K

K

N

N

Q

M

I

I

G

G

T

A

F

F

Y

Y

Q

Q

P

P

E

A

M

S

I

V

I

V

I

I

S

D

P

L

K

D

F

C

L

L

E

K

T
|
T

L
|
L

P

P

K

K

S

R

E
|
E

I

L

L

S

S

S

G

G

F

L

G

A

E
|
E

I

V

I

I

K

K

Y

Y

G

G

F

I

T

I

L

L

D

D

K

G

S

E

I

F

L

F

D

S

M

W

K

L

D

E

R

-

F

-

E

E

N

N

-

I

D

D

V

A

F

L

E

M

I

A

F

L

Q

D

D

N

K

Q

I

A

L

M

A

A

M

Y

Q

-

L

C

I

I

K

R

K

R

S

C

I

C

N

E

C

L

K
|
K

V

A

E

Q

V

V

V

V

E

A

N

A

D

D

E

E

K

K

E
|
E

-

T

S

S

H

G

L

L

R
|
R

E

A

V

L

L

L

N
|
N

F

L

G

G

H
|
H

T

T

V

F

G

G

H
|
H

A

A

L

I

E

E

T

A

Y

E

Y

M

N

G

Y

Y

H

G

-

V

F

W

S

L

H
|
H

G

G

I

E

F

A

V

V

I

A

F

A

G

G

M

M

V

V

A

M

E

A

M

A

I

K

L

T

S

A

N

E

I

L

L

I

F

G

N

Q

F

F

D

T

L

P

S

E

N

Q

L

T

D

D

F

R

L

V

I

I

R

A

I

L

L

L

E

K

K

R

N

A

N

E

I

L

K

P

L

V

-

T

-

G

P

P

Q

A

R

K

F

M

E

Q

K

P

S

D

Q

D

I

Y

I

L

S

P

I

H

M

M

K

M

Y

R

D

D

K

K

K

K

N

V

I

M

N

G

A

G

S

K

I

L

R

H

M

L

V

I

L

L

L

P

K

T

D

T

V

I

C

G

D

H

Y

S

V

E

L

M

G

R

H

S

K

D

I

V

D

D

E

A

D

S

V

T

L

V

Y

T

K

A

A

A

L

I

active site: R121 (= R117), K143 (= K139), E185 (= E181), K227 (= K225), E237 (= E235), R242 (= R239), N246 (= N243), H249 (= H246), H253 (= H250), H266 (= H262)
binding magnesium ion: E185 (= E181), H249 (= H246), H266 (= H262)
binding nicotinamide-adenine-dinucleotide: D72 (≠ E68), E74 (= E70), K77 (= K73), G105 (= G101), G106 (= G102), V107 (= V103), D110 (= D106), T130 (= T126), T131 (= T127), L133 (= L129), D137 (= D133), K143 (= K139), T173 (= T169), L174 (= L170), E178 (= E174)

Sites not aligning to the query:

binding nicotinamide-adenine-dinucleotide: 46

6c5cA Crystal structure of the 3-dehydroquinate synthase (dhqs) domain of aro1 from candida albicans sc5314 in complex with nadh (see paper)
34% identity, 88% coverage: 29:346/361 of query aligns to 30:378/385 of 6c5cA

query
sites
6c5cA

E

E

Y

V

L

I

A

A

S

N

F

L

N

A

C

S

S

S

N

T

L

Y

V

V

I

I

F

V

T

T

D
|
D

K

T

M
x
N

V
x
M

Y

A

R

R

-

T

-

P

-

Q

-

Y

-

S

-

K

L

L

Y

T

K

D

D

D

F

F

I

K

D

T

S

N

L

L

S

S

Y

E

S

K

-

R

-

P

-

E

-

S

-

R

-

L

Y

L

L

T

Y

Y

L

C

F

V

D

S

E

P

G

G

E
|
E

E

N

S

N

K
|
K

S

N

I

R

E

A

S

T

Y

K

L

A

K

A

A

V

I

E

D

D

Y

F

L

L

L

L

D

Q

R

Q

N

G

V

C

D

T

R

R

R

D

A

T

L

V

F

I

V

L

A

A

I

V

G

G

G
|
G

G
|
G

V
|
V

I

I

G

G

D
|
D

V

M

V

I

G

G

F

F

I

V

A

A

S

A

T

T

Y

F

K

M

R
|
R

G

G

V

V

K

R

L

V

I

V

H

Q

I

V

P

P

T
|
T

T
|
T

L

L

L

L

S

A

M

M

V

V

D
|
D

S
|
S

S

S

I

V

G

G

G

G

K
|
K

T

T

G

A

I

I

N

D

H

T

K

P

S

L

Y

G

K

K

N

N

Q

F

I

I

G

G

T

A

F

F

Y

H

Q

Q

P

P

E

E

M

Y

I

V

I

F

I

C

S

D

P

V

K

S

F
|
F

L

L

E

E

T
|
T

L
|
L

P

P

K

A

S

R

E
x
Q

I

F

L

I

S

N

G

G

F

M

G

A

E
|
E

I

V

I

V

K

K

Y

T

G

A

F

A

T

I

L

W

D

N

K

E

S

E

I

E

L

F

D

T

M

R

K

L

D

E

R

N

F

F

E

S

N

K

D

K

V

F

F

L

E

S

I

V

F

V

Q

T

D

S

K

K

I

K

L

P

A

D

M

L

Q

Q

L

S

I

I

K

K

-

A

-

E

-

L

-

V

-

K

-

T

-

V

-

L

K

E

S

S

I

V

N

R

C

V

K
|
K

V

A

E

G

V

V

V

V

E

S

N

S

D

D

E

-

K

-

E
|
E

S

A

H

G

L

L

R
|
R

E

N

V

L

L

L

N
|
N

F

F

G

G

H
|
H

T

T

V

I

G

G

H
|
H

A

A

L

I

E

E

T

A

Y

V

Y

L

N

T

Y

P

H

E

F

A

S

L

H
|
H

G

G

I

E

F

C

V

V

I

S

F

I

G

G

M

M

V

I

A

K

E

E

M

A

I

E

L

L

S

S

-

R

-

Y

-

L

N

G

I

I

L

L

F

P

N

P

F

V

D

A

L

V

S

A

N

R

L

L

D

S

-

K

-

C

-

L

-

V

-

A

-

Y

-

G

F

L

L

P

I

V

R

S

I

I

L

D

E

D

K

K

N

E

N

F

I

L

K

K

L

K

-

V

-

G

P

P

Q

K

R

R

-

H

-

Y

F

V

E

E

K

I

S

D

Q

I

I

L

I

L

S

K

I

K

M

M

K

A

Y

I

D

D

K

K

K

K

N

N

I

-

N

-

A

-

S

D

I

I

R

R

M

C

V

V

L

L

L

L

K

E

D

K

V

I

-

G

-

K

C

C

D

Y

Y

Q

V

L

L

K

G

A

H

H

K

Q

I

V

D

S

E

K

D

Q

active site: R130 (= R117), K152 (= K139), E194 (= E181), K246 (= K225), E254 (= E235), R258 (= R239), N262 (= N243), H265 (= H246), H269 (= H250), H281 (= H262)
binding nicotinamide-adenine-dinucleotide: D45 (= D44), N47 (≠ M46), M48 (≠ V47), E83 (= E70), K86 (= K73), G114 (= G101), G115 (= G102), V116 (= V103), D119 (= D106), T139 (= T126), T140 (= T127), D146 (= D133), S147 (= S134), F179 (= F166), T182 (= T169), L183 (= L170), Q187 (≠ E174)

6lk2A Crystal structure of providencia alcalifaciens 3-dehydroquinate synthase (dhqs) in complex with mg2+, NAD and chlorogenic acid (see paper)
35% identity, 80% coverage: 65:352/361 of query aligns to 69:354/357 of 6lk2A

query
sites
6lk2A

L

I

F

L

D

P

E
x
D

G

G

E
|
E

E

Q

S

Y

K
|
K

S

S

I

L

E

F

S

I

Y

M

L

N

K

D

A

V

I

F

D

T

Y

A

L

L

L

L

D

E

R

K

N

H

V

H

D

N

R

R

R

D

A

T

L

T

F

L

V

I

A

A

I

L

G

G

G
|
G

G
|
G

V
|
V

I

I

G

G

D
|
D

V

L

V

T

G

G

F

F

I

A

A

A

S

A

T

S

Y

Y

K

Q

R
|
R

G

G

V

V

K

R

L

F

I

I

H

Q

I

V

P

P

T
|
T

T
|
T

L

L

L
|
L

S

S

M

Q

V

V

D
|
D

S
|
S

S

S

I

V

G

G

G

G

K
|
K

T

T

G

A

I

V

N

N

H

H

K

P

S

L

Y

G

K

K

N

N

Q

M

I

I

G

G

T

A

F

F

Y

Y

Q

Q

P

P

E

A

M

S

I

V

I

V

I

I

S

D

P

L

K

D

F
x
C

L

L

E

K

T
|
T

L
|
L

P
|
P

K

K

S

R

E
|
E

I

L

L

S

S

S

G

G

F

L

G

A

E
|
E

I

V

I

I

K

K

Y

Y

G

G

F

I

T

I

L

L

D

D

K

G

S

E

I

F

L

F

D

S

M

W

K

L

D

E

R

-

F

-

E

E

N

N

-

I

D

D

V

A

F

L

E

M

I

A

F

L

Q

D

D

N

K

Q

I

A

L

M

A

A

M

Y

Q

-

L

C

I

I

K

R

K

R

S

C

I

C

N

E

C

L

K
|
K

V

A

E

Q

V

V

V

V

E

A

N

A

D

D

E

E

K

G

E

-

S

-

H

-

L

L

R
|
R

E

A

V

L

L

L

N
|
N

F

L

G

G

H
|
H

T
|
T

V

F

G

G

H
|
H

A

A

L

I

E

E

T

A

Y

E

Y

M

N

G

Y

Y

H

G

-

V

F

W

S

L

H
|
H

G

G

I

E

F

A

V

V

I

A

F

A

G

G

M

M

V

V

A

M

E

A

M

A

I

K

L

T

S

A

N

E

I

L

L

I

F

G

N

Q

F

F

D

T

L

P

S

E

N

Q

L

T

D

D

F

R

L

V

I

I

R

A

I

L

L

L

E

K

K

R

N

A

N

E

I

L

K

P

L

V

-

T

-

G

P

P

Q

A

R

K

F

M

E

Q

K

P

S

D

Q

D

I

Y

I

L

S

P

I

H

M

M

K

M

Y

R

D

D

K

K

K

K

N

V

I

M

N

G

A

G

S

K

I

L

R

H

M

L

V

I

L

L

L

P

K

T

D

T

V

I

C

G

D

H

Y

S

V

E

L

M

G

R

H

S

K

D

I

V

D

D

E

A

D

S

V

T

L

V

Y

T

K

A

A

A

L

I

active site: R121 (= R117), K143 (= K139), E185 (= E181), K227 (= K225), R238 (= R239), N242 (= N243), H245 (= H246), H249 (= H250), H262 (= H262)
binding (1R,3R,4S,5R)-3-[3-[3,4-bis(oxidanyl)phenyl]propanoyloxy]-1,4,5-tris(oxidanyl)cyclohexane-1-carboxylic acid: D137 (= D133), E185 (= E181), K227 (= K225), R238 (= R239), N242 (= N243), H245 (= H246), T246 (= T247), H249 (= H250), H262 (= H262)
binding magnesium ion: E185 (= E181), H245 (= H246), H262 (= H262)
binding nicotinamide-adenine-dinucleotide: D72 (≠ E68), E74 (= E70), K77 (= K73), G105 (= G101), G106 (= G102), V107 (= V103), D110 (= D106), T130 (= T126), T131 (= T127), L133 (= L129), D137 (= D133), S138 (= S134), C170 (≠ F166), T173 (= T169), L174 (= L170), P175 (= P171), E178 (= E174)

Sites not aligning to the query:

binding nicotinamide-adenine-dinucleotide: 46

5hvnA 3.0 angstrom crystal structure of 3-dehydroquinate synthase (arob) from francisella tularensis in complex with NAD.
38% identity, 73% coverage: 19:280/361 of query aligns to 20:281/354 of 5hvnA

query
sites
5hvnA

I

I

F

I

I

V

E

D

S

S

I

V

E

L

K

D

T

F

G

S

E

H

Y

I

L

L

A

E

S

Y

F

V

N

T

C

N

S

K

N

Q

L

V

V

L

I

V

F

V

T

T

D
x
N

K

T

M

T

V

V

Y

A

R

K

L
|
L

Y

Y

-

L

-

T

-

K

-

F

-

L

K

A

D

A

F

L

I

V

D

D

S

D

L

L

S

D

Y

V

S

R

Y

T

L

C

Y

I

L

L

F

-

D

E

E
x
D

G

G

E
|
E

E

Q

S

Y

K
|
K

S

S

I

Q

E

Q

S

S

Y

L

L

D

K

K

A

I

I

L

D

S

Y

T

L

L

L

L

D

E

R

N

N

H

V

F

D

T

R

R

R

N

A

S

-

T

L

V

F

L

V

V

A

A

I

L

G

G

G
|
G

G
|
G

V
|
V

I

I

G

G

D
|
D

V

I

V

T

G

G

F

F

I

A

A

A

S

A

T

I

Y

Y

K

Q

R
|
R

G

G

V

I

K

D

L

F

I

I

H

Q

I

I

P

P

T
|
T

T
|
T

L

L

L
|
L

S

S

M

Q

V

V

D
|
D

S

S

S

S

I

V

G

G

G

G

K
|
K

T

T

G

A

I

I

N

N

H

H

K

Q

S

L

Y

G

K

K

N

N

Q

M

I

I

G

G

T

A

F

F

Y

Y

Q

Q

P

P

E

K

M

V

I

V

I

Y

I

T

S

S

P

I

K

E

F
|
F

L

Y

E

K

T
|
T

L
|
L

P

P

K

Q

S

R

E
|
E

I

Y

L

I

S

A

G

G

F

M

G

A

E
|
E

I

V

I

V

K

K

Y

Y

G

A

F

F

T

-

L

I

D

S

K

K

S

D

I

F

L

Y

D

L

M

W

K

L

D

D

R

S

F

N

E

R

N

D

D

K

V

I

F

L

E

A

I

-

F

-

Q

K

D

D

K

S

I

V

L

T

A

L

M

I

Q

E

L

M

I

V

K

K

K

R

S

S

I

C

N

Q

C

I

K
|
K

V

A

E

Q

V

V

V

V

E

A

N

M

D

D

E

-

K

-

E

-

S

T

H

G

L

A

R
|
R

E

A

V

I

L

L

N
|
N

F

F

G

G

H
|
H

T

T

V

F

G

G

H
|
H

A

A

L

I

E

E

T

K

Y

C

Y

Q

N

N

Y

Y

H

R

-

G

F

L

S

K

H
|
H

G

G

I

E

F

A

V

V

I

G

F

V

G

G

M

M

V

A

A

Q

E

A

M

I

I

D

L

F

S

S

N

H

I

Y

L

L

active site: R123 (= R117), K145 (= K139), E187 (= E181), K228 (= K225), R239 (= R239), N243 (= N243), H246 (= H246), H250 (= H250), H263 (= H262)
binding nicotinamide-adenine-dinucleotide: N45 (≠ D44), L51 (= L50), D73 (≠ E68), E75 (= E70), K78 (= K73), G107 (= G101), G108 (= G102), V109 (= V103), D112 (= D106), T132 (= T126), T133 (= T127), L135 (= L129), D139 (= D133), K145 (= K139), F172 (= F166), T175 (= T169), L176 (= L170), E180 (= E174)

1dqsA Crystal structure of dehydroquinate synthase (dhqs) complexed with carbaphosphonate, NAD+ and zn2+ (see paper)
37% identity, 75% coverage: 63:334/361 of query aligns to 71:361/381 of 1dqsA

query
sites
1dqsA

L

I

Y

Y

L

N

F

R

D

P

E

P

G

G

E
|
E

E

V

S

S

K
|
K

S

S

I

R

E

Q

S

T

Y

K

L

A

K

D

A

I

I

E

D

D

Y

W

L

M

L

L

D

S

R

Q

N

N

-

P

-

P

V

C

D

G

R

R

R

D

A

T

L

V

F

V

V

I

A

A

I

L

G

G

G
|
G

G
|
G

V
|
V

I

I

G

G

D
|
D

V

L

V

T

G

G

F

F

I

V

A

A

S

S

T

T

Y

Y

K

M

R
|
R

G

G

V

V

K

R

L

Y

I

V

H

Q

I

V

P

P

T
|
T

T
|
T

L

L

L
|
L

S

A

M

M

V

V

D
|
D

S
|
S

S

S

I

I

G

G

G

G

K
|
K

T

T

G

A

I

I

N

D

H

T

K

P

S

L

Y

G

K
|
K

N
|
N

Q

L

I

I

G

G

T

A

F

I

Y

W

Q

Q

P

P

E

T

M

K

I

I

I

Y

I

I

S

D

P

L

K

E

F

F

L

L

E

E

T
|
T

L

L

P
|
P

K

V

S

R

E
|
E

I

F

L

I

S

N

G

G

F

M

G

A

E
|
E

I

V

I

I

K

K

Y

T

G

A

-

A

-

I

-

S

-

S

-

E

-

E

-

E

F

F

T

T

L

A

-

L

-

E

-

E

-

N

D

A

K

E

S

T

I

I

L

L

D

K

-

A

M

V

K

R

D

R

R

R

F

F

E

E

N

G

D

-

V

T

F

E

E

E

I

I

F

L

Q

K

D

A

K

R

I

I

L

L

A

A

M

-

Q

-

L

-

I

-

K

-

K

-

S

S

I

A

N

R

C

H

K
|
K

V

A

E

Y

V

V

V

V

E

S

N

A

D

D

E

E

K

R

E
|
E

S

G

H

G

L

L

R
|
R

E

N

V

L

L
|
L

N
|
N

F

W

G

G

H
|
H

T

S

V

I

G

G

H
|
H

A

A

L

I

E

E

T

A

Y

I

Y

L

N

T

Y

P

H

Q

F

I

S

L

H
|
H

G

G

I

E

F

C

V

V

I

A

F

I

G

G

M

M

V

V

A

K

E

E

M

A

I

E

L

L

S

A

N

R

I

H

L

L

F

G

N

I

F

L

D

K

L

G

S

V

N

A

L

V

D

S

F

R

L

I

I

V

R

K

I

C

L

L

E

A

K

A

N

Y

N

G

I

-

K

-

L

L

P

P

Q

T

R

S

F

L

E

K

K

D

S

A

Q

R

I

I

I

R

S

K

I

L

-

T

-

A

-

G

-

K

-

H

-

C

-

S

-

V

-

D

-

Q

-

L

-

M

-

F

-

N

M

M

K

A

Y

L

D

D

K
|
K

K

K

N

N

I

D

N

G

A

P

S

K

I

K

R

K

M

I

V

V

L

L

L

L

K

S

D

A

V

I

active site: R127 (= R117), K149 (= K139), E191 (= E181), K240 (= K225), E250 (= E235), R254 (= R239), N258 (= N243), H261 (= H246), H265 (= H250), H277 (= H262)
binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: D143 (= D133), K149 (= K139), N159 (= N149), E191 (= E181), K240 (= K225), R254 (= R239), L257 (= L242), N258 (= N243), H261 (= H246), H265 (= H250), H277 (= H262), K346 (= K319)
binding nicotinamide-adenine-dinucleotide: E78 (= E70), K81 (= K73), G111 (= G101), G112 (= G102), V113 (= V103), D116 (= D106), T136 (= T126), T137 (= T127), L139 (= L129), D143 (= D133), S144 (= S134), K158 (= K148), T179 (= T169), P181 (= P171), E184 (= E174), H277 (= H262)
binding zinc ion: E191 (= E181), H261 (= H246), H277 (= H262)

Sites not aligning to the query:

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

P56081 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
35% identity, 81% coverage: 65:355/361 of query aligns to 58:342/343 of P56081

query
sites
P56081

L

V

F

I

D

E

E
x
S

G
|
G

E
|
E

E
x
K

S
x
Y

K
|
K

S

N

I

F

E

H

S

S

Y

L

L

E

K

R

A

I

I

L

D

N

Y

N

L

A

L

F

D

E

R

M

N

Q

V

L

D

N

R

R

R

H

A

S

L

L

F

M

V

I

A

A

I

L

G

G

G

G

G
|
G

V
|
V

I

I

G

S

D

D

V

M

V

V

G

G

F

F

I

A

A

S

S

S

T

I

Y

Y

K

F

R

R

G

G

V

I

K

D

L

F

I

I

H

N

I

I

P

P

T
|
T

T
|
T

L

L

L

L

S

A

M

Q

V

V

D

D

S

A

S

S

I

V

G

G

G

G

K

K

T

T

G

G

I

I

N

N

H

T

K

P

S

Y

Y

G

K

K

N
|
N

Q

L

I

I

G

G

T

S

F

F

Y

H

Q

Q

P

P

E

K

M

A

I

V

I

Y

I

M

S

D

P

L

K

A

F
|
F

L
|
L

E
x
K

T
|
T

L

L

P

E

K

K

S

R

E

E

I

F

L

Q

S

A

G

G

F

V

G

A

E

E

I

I

I

I

K

K

Y

M

G

A

F

V

T

C

L

F

D

D

K

K

S

N

I

L

L

V

-

E

-

R

-

L

-

E

-

T

-

K

D

D

M

L

K

K

D

D

R

C

F

L

E

E

N

E

D

V

V

I

F

F

E

Q

I

-

F

-

Q

-

D

-

K

-

I

-

L

-

A

-

M

-

Q

-

L

-

I

-

K

-

K

-

S

S

I

V

N

N

C

I

K

K

V

A

E

Q

V

V

V

V

E

V

N

Q

D

D

E

E

K

K

E

E

S

Q

H

N

L

I

R

R

E

A

V

G

L

L

N

N

F

Y

G

G

H

H

T

T

V

F

G

G

H

H

A

A

L

I

E

E

T

K

Y

E

Y

T

N

D

Y

Y

-

E

H

R

F

F

S

L

H

H

G

G

I

E

F

A

V

I

I

A

F

I

G

G

M

M

V

R

A

M

E

A

M

N

I

D

L

L

S

A

N

L

I

S

L

L

F

G

N

M

F

L

D

T

L

L

S

K

N

E

L

Y

D

E

F

R

L

I

I

E

R

N

I

L

L

L

E

K

K

K

N

F

N

D

I

L

K

I

L

F

P

H

Q

Y

R

K

F

-

E

-

K

-

S

-

Q

-

I

I

I

L

S

D

I

L

M

Q

K

K

Y

F

-

Y

-

E

-

R

-

L

-

F

-

L

D

D

K

K

K

K

N

S

I

E

N

N

A

K

S

T

I

I

R

K

M

F

V

I

L

L

L

P

K

K

D

G

V

V

C

G

D

A

Y

F

V

E

L

V

G

A

H

S

K

H

I

I

D

P

E

K

D

E

V

T

L

I

Y

I

K

K

A

V

L

L

C

E

K

K

F

W

SGEKYK 61:66 (≠ EGEESK 68:73) binding NAD(+)
GV 95:96 (= GV 102:103) binding NAD(+)
TT 119:120 (= TT 126:127) binding NAD(+)
N142 (= N149) binding NAD(+)
FLKT 159:162 (≠ FLET 166:169) binding NAD(+)

3qbdA 3-dehydroquinate synthase (arob) from mycobacterium tuberculosis in complex with NAD
37% identity, 63% coverage: 89:316/361 of query aligns to 89:310/344 of 3qbdA

query
sites
3qbdA

N

G

V

I

D

G

R

R

R

K

A

D

L

A

F

L

V

V

A

S

I

L

G

G

G
|
G

G
|
G

V
x
A

I

A

G

T

D
|
D

V

V

V

A

G

G

F

F

I

A

A

A

S

A

T

T

Y

W

K

L

R
|
R

G

G

V

V

K

S

L

I

I

V

H

H

I

L

P

P

T
|
T

T
|
T

L

L

L
|
L

S

G

M

M

V

V

D

D

S
x
A

S

A

I

V

G

G

G

G

K
|
K

T

T

G

G

I

I

N

N

H

T

K

D

S

A

Y

G

K

K

N

N

Q

L

I

V

G

G

T

A

F

F

Y

H

Q

Q

P

P

E

L

M

A

I

V

I

L

I

V

S

D

P

L

K

A

F

T

L

L

E

Q

T
|
T

L
|
L

P

P

K

R

S

D

E

E

I

M

L

I

S

C

G

G

F

M

G

A

E
|
E

I

V

I

V

K

K

Y

A

G

G

F

F

T

I

L

A

D

D

K

P

S

V

I

I

L

L

D

D

M

L

K

I

D

E

R

A

F

D

E

P

N

Q

D

A

V

A

F

L

E

D

I

P

F

A

Q

G

D

D

K

V

I

L

L

-

A

-

M

P

Q

E

L

L

I

I

K

R

K

R

S

A

I

I

N

T

C

V

K
|
K

V

A

E

E

V

V

V

V

E

-

N

-

D

-

E

-

K

-

E

A

S

A

H

E

L

L

R
|
R

E

E

V

I

L

L

N
|
N

F

Y

G

G

H
|
H

T

T

V

L

G

G

H
|
H

A

A

L

I

E

E

T

R

Y

R

Y

E

N

R

Y

Y

H

R

F

W

S

R

H
|
H

G

G

I

A

F

A

V

V

I

S

F

V

G

G

M

L

V

V

A

F

E

A

M

A

I

E

L

L

S

A

N

R

I

L

L

A

F

G

N

R

F

L

D

D

L

D

S

A

N

T

L

A

D

Q

F

R

L

H

I

R

R

T

I

I

L

L

E

-

K

-

N

S

N

S

I

L

K

G

L

L

P

P

Q

V

R

S

F

Y

E

D

K

P

-

D

-

A

-

L

S

P

Q

Q

I

L

I

L

S

E

I

I

M

M

K

A

active site: R117 (= R117), K139 (= K139), E181 (= E181), K223 (= K225), R232 (= R239), N236 (= N243), H239 (= H246), H243 (= H250), H255 (= H262)
binding nicotinamide-adenine-dinucleotide: G101 (= G101), G102 (= G102), A103 (≠ V103), D106 (= D106), T126 (= T126), T127 (= T127), L129 (= L129), A134 (≠ S134), T169 (= T169), L170 (= L170)

Sites not aligning to the query:

binding nicotinamide-adenine-dinucleotide: 40, 68, 69, 70, 73

6hqvA Pentafunctional arom complex from chaetomium thermophilum (see paper)
32% identity, 85% coverage: 29:334/361 of query aligns to 27:364/1555 of 6hqvA

query
sites
6hqvA

E

D

Y

L

L

L

A

Q

S

T

F

L

N

P

C

S

S

S

N

T

L

Y

V

V

I

L

F

I

T

T

D
|
D

K

T

M
x
N

V
x
L

Y

Y

R

T

L

T

Y

Y

K

V

D

P

F

P

I

F

D

Q

S

A

L

V

S

F

Y

E

S

A

-

A

-

A

-

P

-

R

-

D

-

V

-

R

-

L

Y

L

L

T

Y

Y

L

A

F

I

D

P

E

P

G

G

E
|
E

E

Y

S

S

K
|
K

S

S

I

R

E

E

S

T

Y

K

L

A

K

E

A

I

I

E

D

D

Y

W

L

M

L

L

D

S

R

H

N

A

V

C

D

T

R

R

R

D

A

T

L

V

F

I

V

I

A

A

I

L

G

G

G
|
G

G
|
G

V
|
V

I

I

G

G

D
|
D

V

M

V

I

G

G

F

Y

I

V

A

A

S

A

T

T

Y

F

K

M

R
|
R

G

G

V

V

K

R

L

F

I

V

H

Q

I

V

P

P

T
|
T

T
|
T

L

L

L
|
L

S

A

M

M

V

V

D
|
D

S
|
S

S

S

I

I

G

G

G

G

K
|
K

T

T

G

A

I

I

N

D

H

T

K

P

S

M

Y

G

K
|
K

N

N

Q

L

I

I

G

G

T

A

F

F

Y

W

Q

Q

P

P

E

R

M

R

I

I

I

Y

I

I

S

D

P

L

K

A

F

F

L

L

E

E

T
|
T

L
|
L

P
|
P

K

V

S

R

E
|
E

I

F

L

I

S

N

G

G

F

M

G

A

E
|
E

I

V

I

I

K

K

Y

T

G

A

F

A

T

I

L

W

D

N

K

E

S

T

I

E

L

F

D

T

M

A

K

L

D

E

R

E

F

N

E

A

N

A

D

A

V

I

F

L

E

E

I

A

F

V

Q

R

D

S

K

K

I

A

-

S

-

S

-

P

-

A

-

A

-

R

-

L

-

A

-

P

-

I

-

R

-

H

L

I

A

L

M

K

Q

R

L

I

I

V

K

L

K

G

S

S

I

A

N

R

C

V

K
|
K

V

A

E

E

V

V

V

V

E

S

N

A

D

D

E

E

K

R

E
|
E

S

G

H

G

L

L

R
|
R

E

N

V

L

L

L

N
|
N

F

F

G

G

H
|
H

T

S

V

I

G

G

H
|
H

A

A

L

Y

E

E

T

A

Y

I

Y

L

N

A

Y

P

H

Q

F

V

S

L

H
|
H

G

G

I

E

F

C

V

V

I

A

F

I

G

G

M

M

V

V

A

K

E

E

M

A

I

E

L

L

S

A

N

R

I

Y

L

L

F

G

N

V

F

L

D

R

L

P

S

S

N

A

L

V

D

A

F

R

L

L

I

T

R

K

I

L

L

I

E

A

K

S

N

Y

N

D

I

-

K

-

L

L

P

P

Q

T

R

S

F

V

E

H

K

D

S

K

Q

R

I

I

I

A

S

K

I

L

-

S

-

A

-

G

-

K

-

E

-

C

-

P

-

V

-

D

-

V

-

L

-

L

-

Q

-

K

M

M

K

A

Y

V

D

D

K

K

K

K

N

N

I

E

N

G

A

R

S

K

I

K

R

K

M

I

V

V

L

L

L

L

K

S

D

A

V

I

active site: R123 (= R117), K145 (= K139), E187 (= E181), K243 (= K225), E253 (= E235), R257 (= R239), N261 (= N243), H264 (= H246), H268 (= H250), H280 (= H262)
binding glutamic acid: D139 (= D133), K145 (= K139), E187 (= E181), K243 (= K225), R257 (= R239), H264 (= H246), H280 (= H262)
binding nicotinamide-adenine-dinucleotide: D42 (= D44), N44 (≠ M46), L45 (≠ V47), E76 (= E70), K79 (= K73), G107 (= G101), G108 (= G102), V109 (= V103), D112 (= D106), T132 (= T126), T133 (= T127), L135 (= L129), D139 (= D133), S140 (= S134), K145 (= K139), K154 (= K148), T175 (= T169), L176 (= L170), P177 (= P171), E180 (= E174), H280 (= H262)
binding zinc ion: E187 (= E181), H264 (= H246), H280 (= H262)

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

1nvbB Crystal structure of 3-dehydroquinate synthase (dhqs) in complex with zn2+ and carbaphosphonate (see paper)
36% identity, 75% coverage: 63:334/361 of query aligns to 72:369/391 of 1nvbB

query
sites
1nvbB

L

I

Y

Y

L

N

F

R

D

P

E

P

G

G

E

E

E

V

S

S

K

K

S

S

I

R

E

Q

S

T

Y

K

L

A

K

D

A

I

I

E

D

D

Y

W

L

M

L

L

D

S

R

Q

N

N

-

P

-

P

V

C

D

G

R

R

R

D

A

T

L

V

F

V

V

I

A

A

I

L

G

G

G

G

G

G

V

V

I

I

G

G

D

D

V

L

V

T

G

G

F

F

I

V

A

A

S

S

T

T

Y

Y

K

M

R
|
R

G

G

V

V

K

R

L

Y

I

V

H

Q

I

V

P

P

T

T

T

T

L

L

L

L

S

A

M

M

V

V

D
|
D

S

S

S

S

I

I

G

G

G

G

K
|
K

T

T

G

A

I

I

N

D

H

T

K

P

S

L

Y

G

K

K

N
|
N

Q

L

I

I

G

G

T

A

F

I

Y

W

Q

Q

P

P

E

T

M

K

I

I

I

Y

I

I

S

D

P

L

K

E

F

F

L

L

E

E

T

T

L

L

P

P

K

V

S

R

E

E

I

F

L

I

S

N

G

G

F

M

G

A

E
|
E

I

V

I

I

K

K

Y

T

G

A

-

A

-

I

-

S

-

S

-

E

-

E

-

E

F

F

T

T

-

A

-

L

-

E

-

E

-

N

-

A

-

E

-

T

-

I

-

L

-

K

-

A

L

V

D

R

K

R

S

E

I

V

L

T

D

P

M

G

K

E

D

H

R

R

F

F

E

E

N

G

D

-

V

T

F

E

E

E

I

I

F

L

Q

K

D

A

K

R

I

I

L

L

A

A

M

-

Q

-

L

-

I

-

K

-

K

-

S

S

I

A

N

R

C

H

K
|
K

V

A

E

Y

V

V

V

V

E

S

N

A

D

D

E

E

K

R

E
|
E

S

G

H

G

L

L

R
|
R

E

N

V

L

L
|
L

N
|
N

F

W

G

G

H
|
H

T

S

V

I

G

G

H
|
H

A

A

L

I

E

E

T

A

Y

I

Y

L

N

T

Y

P

H

Q

F

I

S

L

H
|
H

G

G

I

E

F

C

V

V

I

A

F

I

G

G

M

M

V

V

A

K

E

E

M

A

I

E

L

L

S

A

N

R

I

H

L

L

F

G

N

I

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D

K

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N

A

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R

K

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C

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A

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A

N

Y

N

G

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-

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-

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P

P

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K

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-

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K

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K

N

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active site: R128 (= R117), K150 (= K139), E192 (= E181), K248 (= K225), E258 (= E235), R262 (= R239), N266 (= N243), H269 (= H246), H273 (= H250), H285 (= H262)
binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: D144 (= D133), K150 (= K139), N160 (= N149), E192 (= E181), K248 (= K225), R262 (= R239), L265 (= L242), N266 (= N243), H269 (= H246), H273 (= H250), K354 (= K319)
binding zinc ion: E192 (= E181), H269 (= H246), H285 (= H262)

P07547 Pentafunctional AROM polypeptide; EC 4.2.3.4; EC 2.5.1.19; EC 2.7.1.71; EC 4.2.1.10; EC 1.1.1.25 from Emericella nidulans (strain FGSC A4 / ATCC 38163 / CBS 112.46 / NRRL 194 / M139) (Aspergillus nidulans) (see 2 papers)
36% identity, 74% coverage: 69:334/361 of query aligns to 80:371/1583 of P07547

query
sites
P07547

G

G

E
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E

E
x
V

S
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S

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K

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A

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N

-

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G

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G

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D

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T

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T

L

L

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S

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I

G

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T

T

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K

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F

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L

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T

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x
N

G

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E

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H

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A

A

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A

Y

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H

G

G

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M

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D

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EVSK 81:84 (≠ EESK 70:73) binding NAD(+)
GGV 114:116 (= GGV 101:103) binding NAD(+)
D119 (= D106) binding NAD(+)
TT 139:140 (= TT 126:127) binding NAD(+)
K161 (= K148) binding NAD(+)
FLET 179:182 (= FLET 166:169) binding NAD(+)
N190 (≠ S177) binding NAD(+)
E194 (= E181) binding Zn(2+)
H271 (= H246) binding Zn(2+)
H287 (= H262) binding Zn(2+)

Sites not aligning to the query:

44:46 binding NAD(+)

Query Sequence

>WP_013430318.1 NCBI__GCF_000166775.1:WP_013430318.1
MEDRIYLSLKREEKNIPIIFIESIEKTGEYLASFNCSNLVIFTDKMVYRLYKDFIDSLSY
SYLYLFDEGEESKSIESYLKAIDYLLDRNVDRRALFVAIGGGVIGDVVGFIASTYKRGVK
LIHIPTTLLSMVDSSIGGKTGINHKSYKNQIGTFYQPEMIIISPKFLETLPKSEILSGFG
EIIKYGFTLDKSILDMKDRFENDVFEIFQDKILAMQLIKKSINCKVEVVENDEKESHLRE
VLNFGHTVGHALETYYNYHFSHGIFVIFGMVAEMILSNILFNFDLSNLDFLIRILEKNNI
KLPQRFEKSQIISIMKYDKKNINASIRMVLLKDVCDYVLGHKIDEDVLYKALCKFEEIVL
S

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory