SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 353501 FitnessBrowser__Btheta:353501 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)
36% identity, 81% coverage: 64:348/353 of query aligns to 74:359/361 of Q9KNV2

query
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Q9KNV2

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GVIGD 104:108 (≠ GMVTD 94:98) binding NAD(+)
TT 128:129 (= TT 118:119) binding NAD(+)
K141 (= K131) binding NAD(+)
KN 150:151 (= KN 140:141) binding NAD(+)
CLTT 168:171 (≠ FLRS 158:161) binding NAD(+)

Sites not aligning to the query:

41 binding NAD(+)
70:75 binding NAD(+)

3okfA 2.5 angstrom resolution crystal structure of 3-dehydroquinate synthase (arob) from vibrio cholerae
36% identity, 81% coverage: 64:348/353 of query aligns to 75:358/360 of 3okfA

query
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3okfA

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active site: R120 (= R109), K142 (= K131), E184 (= E173), K226 (= K213), R238 (= R227), N242 (= N231), H245 (= H234), H249 (= H238), H262 (= H253)
binding nicotinamide-adenine-dinucleotide: K76 (= K65), G104 (= G93), G105 (= G94), V106 (≠ M95), D109 (= D98), T129 (= T118), T130 (= T119), L132 (= L121), D136 (= D125), T172 (≠ S161), L173 (= L162), E177 (≠ N166)

Sites not aligning to the query:

binding nicotinamide-adenine-dinucleotide: 42, 48, 71, 73

Q6GGU4 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Staphylococcus aureus (strain MRSA252) (see paper)
34% identity, 89% coverage: 26:340/353 of query aligns to 32:342/354 of Q6GGU4

query
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Q6GGU4

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D39 (= D33) binding NAD(+)
Y45 (≠ L39) binding NAD(+)
EKTK 68:71 (≠ DVHK 62:65) binding NAD(+)
GATGD 100:104 (≠ GMVTD 94:98) binding NAD(+)
TT 124:125 (= TT 118:119) binding NAD(+)
K136 (= K131) binding NAD(+)
K145 (= K140) binding NAD(+)
FLKT 163:166 (≠ FLRS 158:161) binding NAD(+)
E178 (= E173) binding Zn(2+)
H242 (= H234) binding Zn(2+)
H256 (= H253) binding Zn(2+)

P56081 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
35% identity, 93% coverage: 16:345/353 of query aligns to 17:340/343 of P56081

query
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P56081

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G

G

D

A

I

F

C

E

I

V

N

A

Q

S

T

H

A

I

D

P

K

K

D

E

T

T

I

I

F

I

E

K

M

V

L

L

D

E

SGEKYK 61:66 (≠ AEDVHK 60:65) binding NAD(+)
GV 95:96 (≠ GM 94:95) binding NAD(+)
TT 119:120 (= TT 118:119) binding NAD(+)
N142 (= N141) binding NAD(+)
FLKT 159:162 (≠ FLRS 158:161) binding NAD(+)

P9WPX9 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
37% identity, 77% coverage: 52:323/353 of query aligns to 65:335/362 of P9WPX9

query
sites
P9WPX9

D

D

A

A

V

H

E

R

I

I

C

E

I

I

G

P

A
x
D

E
x
A

D
x
E

V
x
A

H
x
G

K
|
K

T

D

L

L

E

P

T

V

L

V

A

G

S

F

V

I

W

W

M

E

A

V

L

L

S

G

Q

R

Q

I

G

G

A

I

T

G

R

R

H

K

S

D

L

A

L

L

I

V

N

S

L

L

G

G

G
|
G

M
x
A

V
x
A

T
|
T

D
|
D

L

V

G

A

G

G

F

F

A

A

T

T

F

W

K

L

R

R

G

G

I

V

S

S

Y

I

I

V

N

H

I

L

P

P

T
|
T

L

L

A

G

M

M

V

V

D

D

A

A

S

A

V

V

G

G

K
|
K

T

T

G

G

I

I

N

N

F

T

N

D

G

A

L

G

K

K

N

N

E

L

I

V

G

G

S

A

F

F

A

H

P

Q

A

P

D

L

S

A

V

V

L

L

I

V

E

D

T

L

E

A

F
x
T

L
|
L

R
x
Q

S
x
T

L

L

D

P

A

R

Q

D

N

E

F

M

F

I

S

C

G

G

Y

M

A

A

E

E

M

V

L

V

K

K

H

A

G

G

L

F

I

I

S

A

N

D

T

P

A

V

H

-

W

I

V

L

E

D

L

L

L

I

D

E

F

A

N

D

T

P

N

Q

-

A

N

A

I

L

D

D

Y

P

A

A

-

G

-

D

Y

V

L

L

K

P

N

E

M

L

V

I

G

R

R

R

S

A

V

I

Q

T

V

V

K

K

E

A

D

E

I

V

V

V

E

A

Q

A

D

D

P

E

F

K

E

E

H

S

G

E

I

L

R

R

K

E

A

I

L

L

N

N

L

Y

G

G

H

H

T

T

A

L

G

G

H

H

A

A

F

I

E

E

S

R

L

R

A

E

L

R

A

Y

E

R

N

W

R

R

P

-

V

-

L

-

H

H

G

G

Y

A

A

A

V

V

A

S

W

V

G

G

I

L

V

V

C

F

E

A

L

A

Y

E

L

L

S

A

H

R

L

L

K

-

V

A

G

G

F

R

P

L

K

D

D

D

K

A

M

T

R

A

Q

Q

T

R

I

H

Q

R

F

T

I

I

K

L

E

S

N

S

Y

L

G

G

-

L

S

P

F

V

A

S

F

Y

D

D

C

P

K

D

Q

A

Y

L

E

P

Q

Q

L

L

Y

L

A

E

F

I

M

M

Q

A

H

G

D

D

K

K

N

T

T

R

S

A

G

G

T

V

V

L

N

R

F

F

T

V

L

V

L

L

DAEAGK 73:78 (≠ AEDVHK 60:65) binding NAD(+)
GAATD 107:111 (≠ GMVTD 94:98) binding NAD(+)
TT 131:132 (= TT 118:119) binding NAD(+)
K144 (= K131) binding NAD(+)
TLQT 171:174 (≠ FLRS 158:161) binding NAD(+)

Sites not aligning to the query:

45 binding NAD(+)

1xagA Crystal structure of staphlyococcus aureus 3-dehydroquinate synthase (dhqs) in complex with zn2+, NAD+ and carbaphosphonate (see paper)
33% identity, 89% coverage: 26:340/353 of query aligns to 32:342/353 of 1xagA

query
sites
1xagA

D

D

K

Q

L

S

F

F

I

L

L

L

T

I

D
|
D

E

E

H
x
Y

T
x
V

Q

N

R

Q

L
x
Y

C

F

L

A

P

N

S

K

L

F

K

D

E

D

V

I

S

L

F

S

L

Y

K

E

D

N

A

V

V

H

E

K

I

V

C

I

I

I

G

P

A

A

E

G

D
x
E

V

K

H

T

K
|
K

T

T

L

F

E

E

T

Q

L

Y

A

Q

S

E

V

T

W

L

M

E

A

Y

L

I

S

L

Q

S

Q

H

G

H

A

V

T

T

R

R

H

N

S

T

L

A

L

I

I

I

N

A

L

V

G

G

G
|
G

M
x
A

V

T

T

G

D
|
D

L

F

G

A

G

G

F

F

A

V

A

A

T

T

F

L

K

L

R
|
R

G

G

I

V

S

H

Y

F

I

I

N

Q

I

V

P

P

T
|
T

L

I

L
|
L

A

A

M

H

V

-

D
|
D

A
x
S

S

S

V

V

G

G

K
|
K

T

V

G

G

I

I

N

N

F

S

N

K

G

Q

L

G

K
|
K

N
|
N

E

L

I

I

G

G

S

A

F

F

A

Y

P

R

A

P

D

T

S

A

V

V

L

I

I

Y

E

D

T

L

E

D

F

F

L

L

R

K

S
x
T

L
|
L

D

P

A

F

Q

K

N
x
Q

F

I

F

L

S

S

G

G

Y

Y

A

A

E
|
E

M

V

L

Y

K

K

H

H

G

A

L

L

I

L

S

N

N

G

T

E

A

S

H

-

W

-

V

-

E

A

L

T

L

Q

D

D

F

I

N

E

T

Q

N

H

N

F

I

K

D

D

Y

R

A

E

Y

I

L

L

K

Q

N

S

M

L

-

N

-

G

-

M

-

D

-

K

-

Y

V

I

G

A

R

K

S

G

V

I

Q

E

V

T

K
|
K

E

L

D

D

I

I

V

V

E

V

Q

A

D

D

P

E

F

K

E
|
E

H

Q

G

G

I

V

R
|
R

K

K

A

F

L
|
L

N
|
N

L

L

G

G

H
|
H

T

T

A

F

G

G

H
|
H

A

A

F

V

E

E

S

Y

L

Y

A

-

L

-

A

-

E

-

N

-

R

H

P

K

V

I

L

P

H
|
H

G

G

Y

H

A

A

V

V

A

M

W

V

G

G

I

I

V

I

C

Y

E

Q

L

F

Y

I

L

V

S

A

H

N

L

A

K

L

V

F

G

D

F

-

P

S

K

K

D

H

K

D

M

I

R

S

Q

H

T

Y

I

I

Q

Q

F

Y

-

L

I

I

K

Q

E

L

N

G

Y

Y

G

P

S

L

F

D

A

M

F

I

D

T

C

D

K

L

Q

D

Y

F

E

E

Q

T

L

L

Y

Y

A

Q

F

Y

M

M

Q

L

H

S

D

D

K
|
K

K

K

N

N

T

D

S

K

G

Q

T

G

V

V

N

Q

F

M

T

V

L

L

L

M

K

R

E

Q

I

F

G

G

D

D

I

I

C

V

I

V

N

-

Q

Q

T

H

A

V

D

D

K

Q

D

L

T

T

I

L

active site: R115 (= R109), K136 (= K131), E178 (= E173), K221 (= K213), E231 (= E223), R235 (= R227), N239 (= N231), H242 (= H234), H246 (= H238), H256 (= H253)
binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: K136 (= K131), N146 (= N141), E178 (= E173), K221 (= K213), R235 (= R227), L238 (= L230), N239 (= N231), H242 (= H234), H246 (= H238), K314 (= K311)
binding nicotinamide-adenine-dinucleotide: D39 (= D33), Y41 (≠ H35), V42 (≠ T36), Y45 (≠ L39), E68 (≠ D62), K71 (= K65), G99 (= G93), G100 (= G94), A101 (≠ M95), D104 (= D98), T124 (= T118), T125 (= T119), L127 (= L121), D130 (= D125), S131 (≠ A126), K136 (= K131), K145 (= K140), T166 (≠ S161), L167 (= L162), Q171 (≠ N166), H256 (= H253)
binding zinc ion: E178 (= E173), H242 (= H234), H256 (= H253)

Q5NFS1 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
35% identity, 93% coverage: 20:348/353 of query aligns to 29:359/359 of Q5NFS1

query
sites
Q5NFS1

I

L

E

E

R

Y

C

V

P

T

H

N

D

K

K

Q

L

V

F

L

I

V

L

V

T

T

D
x
N

E

T

H

T

T

V

Q

A

R

K

L

L

C

Y

L

L

P

T

S

-

L

-

K

K

E

F

V

L

S

A

F

A

L

L

K

V

D

D

A

D

V

L

E

D

I

V

-

R

-

T

C

C

I

I

G

L

A

E

E
x
D

-
x
G

D
x
E

V
x
Q

H
x
Y

K
|
K

T

S

L

Q

E

Q

T

S

L

L

A

D

S

K

V

I

W

L

M

S

A

T

L

L

S

L

Q

E

Q

N

G

H

A

F

T

T

R

R

H

N

S

S

-

T

L

V

L

L

I

V

N

A

L

L

G

G

G
|
G

M
x
V

V
x
I

T
x
G

D
|
D

L

I

G

T

G

G

F

F

A

A

T

I

F

Y

K

Q

R

R

G

G

I

I

S

D

Y

F

I

I

N

Q

I

I

P

P

T
|
T

L

L

A

S

M

Q

V

V

D

D

A

S

S

S

V

V

G

G

K
|
K

T

T

G

A

I

I

N

N

F

H

N

Q

G

L

L

G

K

K

N

N

E

M

I

I

G

G

S

A

F

F

A

Y

P

Q

A

P

D

K

S

V

V

V

L

Y

I

T

E

S

T

I

E

E

F
|
F

L
x
Y

R
x
K

S
x
T

L

L

D

P

A

Q

Q

R

N

E

F

Y

F

I

S

A

G

G

Y

M

A

A

E

E

M

V

L

V

K

K

H

Y

G

A

L

F

I

I

S

S

N

K

T

D

A

F

H

Y

-

L

W

W

V

-

E

-

L

-

L

L

D

D

F

S

N

N

T

R

N

D

N

K

I

I

-

L

-

A

-

K

D

D

Y

S

A

V

Y

T

L

L

K

I

N

E

M

M

V

V

G

K

R

R

S

S

V

C

Q

Q

V

I

K

K

E

A

D

Q

I

V

V

V

E

A

Q

M

D

D

P

E

F

K

E

E

-

L

H

T

G

G

I

A

R

R

K

A

A

I

L

L

N

N

L

F

G

G

H

H

T

T

A

F

G

G

H

H

A

A

F

I

E

E

S

K

L

-

A

-

L

C

A

Q

E

N

N

Y

R

R

P

G

V

L

L

K

H

H

G

G

Y

E

A

A

V

V

A

G

W

V

G

G

I

M

V

A

C

Q

E

A

L

I

Y

D

L

F

S

S

H

H

L

Y

K

L

V

G

G

L

F

I

P

S

K

Q

D

Q

K

Q

M

A

R

K

Q

D

T

F

I

N

Q

D

F

F

I

I

K

V

E

-

N

S

Y

F

G

G

-

I

-

S

-

I

S

D

F

F

A

P

F

N

D

D

C

I

K

C

Q

Q

Y

K

E

E

Q

F

L

L

Y

E

A

A

F

-

M

M

Q

L

H

L

D

D

K

K

N

N

T

S

S

N

G

K

T

E

V

L

N

K

F

F

T

I

L

L

L

I

K

E

E

N

I

I

G

G

D

S

I

L

C

S

I

L

N

-

Q

Q

T

K

A

Q

D

S

K

K

D

N

T

E

I

L

F

E

E

Q

M

F

L

L

D

D

F

I

Y

S

R

R

N42 (≠ D33) binding NAD(+)
DGEQYK 70:75 (≠ E-DVHK 61:65) binding NAD(+)
GVIGD 105:109 (≠ GMVTD 94:98) binding NAD(+)
TT 129:130 (= TT 118:119) binding NAD(+)
K142 (= K131) binding NAD(+)
FYKT 169:172 (≠ FLRS 158:161) binding NAD(+)

3qbeA Crystal structure of the 3-dehydroquinate synthase (arob) from mycobacterium tuberculosis
36% identity, 77% coverage: 52:323/353 of query aligns to 60:326/352 of 3qbeA

query
sites
3qbeA

D

D

A

A

V

H

E

R

I

I

C

E

I

I

G

P

A

D

E

A

D

E

V

A

H

G

K

K

T

D

L

L

E

P

T

V

L

V

A

G

S

F

V

I

W

W

M

E

A

V

L

L

S

G

Q

R

Q

I

G

G

A

I

T

G

R

R

H

K

S

D

L

A

L

L

I

V

N

S

L

L

G

G

M

A

V

A

T

T

D

D

L

V

G

A

G

G

F

F

A

A

T

T

F

W

K

L

R
|
R

G

G

I

V

S

S

Y

I

I

V

N

H

I

L

P

P

T

T

L

L

A

G

M

M

V

V

D

D

A

A

S

A

V

V

G

G

K
|
K

T

T

G

G

I

I

N

N

F

T

N

D

G

A

L

G

K

K

N

N

E

L

I

V

G

G

S

A

F

F

A

H

P

Q

A

P

D

L

S

A

V

V

L

L

I

V

E

D

T

L

E

A

F

T

L

L

R

Q

S

T

L

L

D

P

A

R

Q

D

N

E

F

M

F

I

S

C

G

G

Y

M

A

A

E
|
E

M

V

L

V

K

K

H

A

G

G

L

F

I

I

S

A

N

D

T

P

A

V

H

-

W

I

V

L

E

D

L

L

L

I

D

E

F

A

N

D

T

P

N

Q

-

A

N

A

I

L

D

D

Y

P

A

A

-

G

-

D

Y

V

L

L

K

P

N

E

M

L

V

I

G

R

R

R

S

A

V

I

Q

T

V

V

K
|
K

E

A

D

E

I

V

V

V

E

A

Q

A

D

S

P

E

F

-

E

-

H

-

G

-

I

L

R
|
R

K

E

A

I

L

L

N
|
N

L

Y

G

G

H
|
H

T

T

A

L

G

G

H
|
H

A

A

F

I

E

E

S

R

L

R

A

E

L

R

A

Y

E

R

N

W

R

R

P

-

V

-

L

-

H
|
H

G

G

Y

A

A

A

V

V

A

S

W

V

G

G

I

L

V

V

C

F

E

A

L

A

Y

E

L

L

S

A

H

R

L

L

K

A

V

-

G

G

F

R

P

L

K

D

D

D

K

A

M

T

R

A

Q

Q

T

R

I

H

Q

R

F

T

I

I

K

L

E

S

N

S

Y

L

G

G

-

L

S

P

F

V

A

S

F

Y

D

D

C

P

K

D

Q

A

Y

L

E

P

Q

Q

L

L

Y

L

A

E

F

I

M

M

Q

A

H

G

D

D

K

K

N

T

T

R

S

A

G

G

T

V

V

L

N

R

F

F

T

V

L

V

L

L

active site: R117 (= R109), K139 (= K131), E181 (= E173), K223 (= K213), R233 (= R227), N237 (= N231), H240 (= H234), H244 (= H238), H256 (= H253)
binding zinc ion: E181 (= E173), H240 (= H234), H256 (= H253)

6c5cA Crystal structure of the 3-dehydroquinate synthase (dhqs) domain of aro1 from candida albicans sc5314 in complex with nadh (see paper)
39% identity, 60% coverage: 57:269/353 of query aligns to 78:297/385 of 6c5cA

query
sites
6c5cA

C

C

I

V

G

S

A

P

E

G

D
x
E

V

N

H

N

K
|
K

T

N

L

R

E

A

T

T

L

K

A

A

S

A

V

V

W

E

M

D

A

F

L

L

S

L

Q

Q

G

G

A

C

T

T

R

R

H

D

S

T

L

V

L

I

I

L

N

A

L

V

G

G

G
|
G

M
x
V

V

I

T

G

D
|
D

L

M

G

I

G

G

F

F

A

V

A

A

T

T

F

F

K

M

R
|
R

G

G

I

V

S

R

Y

V

I

V

N

Q

I

V

P

P

T
|
T

L

L

A

A

M

M

V

V

D
|
D

A
x
S

S

S

V

V

G

G

K
|
K

T

T

G

A

I

I

N

D

F

T

N

P

G

L

L

G

K

K

N

N

E

F

I

I

G

G

S

A

F

F

A

H

P

Q

A

P

D

E

S

Y

V

V

L

F

I

C

E

D

T

V

E

S

F
|
F

L

L

R

E

S
x
T

L
|
L

D

P

A

A

Q

R

N
x
Q

F

F

F

I

S

N

G

G

Y

M

A

A

E
|
E

M

V

L

V

K

K

H

T

G

A

L

A

I

I

S

W

N

N

T

E

A

E

H

E

W

F

V

T

E

R

L

L

L

E

D

N

F

F

N

S

T

K

N

K

N

F

I

L

D

S

Y

V

-

V

-

T

-

S

-

K

-

P

-

D

-

L

-

Q

-

S

-

I

-

K

A

A

Y

E

L

L

K

V

N

K

M

T

V

V

G

L

R

E

S

S

V

V

Q

R

V

V

K
|
K

E

A

D

G

I

V

V

V

E

S

Q

S

D

D

P

-

F

-

E
|
E

H

A

G

G

I

L

R
|
R

K

N

A

L

L

L

N
|
N

L

F

G

G

H
|
H

T

T

A

I

G

G

H
|
H

A

A

F

I

E

E

S

A

L

V

A

L

L

T

A

P

E

E

N

-

R

-

P

-

V

A

L

L

H
|
H

G

G

Y

E

A

C

V

V

A

S

W

I

G

G

I

M

V

I

C

K

E

E

L

A

Y

E

L

L

S

S

H

R

active site: R130 (= R109), K152 (= K131), E194 (= E173), K246 (= K213), E254 (= E223), R258 (= R227), N262 (= N231), H265 (= H234), H269 (= H238), H281 (= H253)
binding nicotinamide-adenine-dinucleotide: E83 (≠ D62), K86 (= K65), G114 (= G93), G115 (= G94), V116 (≠ M95), D119 (= D98), T139 (= T118), T140 (= T119), D146 (= D125), S147 (≠ A126), F179 (= F158), T182 (≠ S161), L183 (= L162), Q187 (≠ N166)

Sites not aligning to the query:

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

5hvnA 3.0 angstrom crystal structure of 3-dehydroquinate synthase (arob) from francisella tularensis in complex with NAD.
34% identity, 93% coverage: 20:348/353 of query aligns to 32:354/354 of 5hvnA

query
sites
5hvnA

I

L

E

E

R

Y

C

V

P

T

H

N

D

K

K

Q

L

V

F

L

I

V

L

V

T

T

D
x
N

E

T

H

T

T

V

Q

A

R

K

L
|
L

C

Y

L

L

P

T

S

-

L

-

K

K

E

F

V

L

S

A

F

A

L

L

K

V

D

D

A

D

V

L

E

D

I

V

-

R

-

T

C

C

I

I

G

L

A

E

E
x
D

-

G

D
x
E

V

Q

H

Y

K
|
K

T

S

L

Q

E

Q

T

S

L

L

A

D

S

K

V

I

W

L

M

S

A

T

L

L

S

L

Q

E

Q

N

G

H

A

F

T

T

R

R

H

N

S

S

-

T

L

V

L

L

I

V

N

A

L

L

G

G

G
|
G

M
x
V

V

I

T

G

D
|
D

L

I

G

T

G

G

F

F

A

A

T

I

F

Y

K

Q

R
|
R

G

G

I

I

S

D

Y

F

I

I

N

Q

I

I

P

P

T
|
T

L

L

L
|
L

A

S

M

Q

V

V

D
|
D

A

S

S

S

V

V

G

G

K
|
K

T

T

G

A

I

I

N

N

F

H

N

Q

G

L

L

G

K

K

N

N

E

M

I

I

G

G

S

A

F

F

A

Y

P

Q

A

P

D

K

S

V

V

V

L

Y

I

T

E

S

T

I

E

E

F
|
F

L

Y

R

K

S
x
T

L
|
L

D

P

A

Q

Q

R

N
x
E

F

Y

F

I

S

A

G

G

Y

M

A

A

E
|
E

M

V

L

V

K

K

H

Y

G

A

L

F

I

I

S

S

N

K

T

D

A

F

H

Y

-

L

W

W

V

-

E

-

L

-

L

L

D

D

F

S

N

N

T

R

N

D

N

K

I

I

-

L

-

A

-

K

D

D

Y

S

A

V

Y

T

L

L

K

I

N

E

M

M

V

V

G

K

R

R

S

S

V

C

Q

Q

V

I

K
|
K

E

A

D

Q

I

V

V

V

E

A

Q

M

D

D

P

T

F

-

E

-

H

-

G

G

I

A

R
|
R

K

A

A

I

L

L

N
|
N

L

F

G

G

H
|
H

T

T

A

F

G

G

H
|
H

A

A

F

I

E

E

S

K

L

-

A

-

L

C

A

Q

E

N

N

Y

R

R

P

G

V

L

L

K

H
|
H

G

G

Y

E

A

A

V

V

A

G

W

V

G

G

I

M

V

A

C

Q

E

A

L

I

Y

D

L

F

S

S

H

H

L

Y

K

L

V

G

G

L

F

I

P

S

K

Q

D

Q

K

Q

M

A

R

K

Q

D

T

F

I

N

Q

D

F

F

I

I

K

V

E

-

N

S

Y

F

G

G

-

I

-

S

-

I

S

D

F

F

A

P

F

N

D

D

C

I

K

C

Q

Q

Y

K

E

E

Q

F

L

L

Y

E

A

A

F

M

M

L

Q

L

H

D

D

N

K

K

K

E

N

-

T

-

S

-

G

-

T

-

V

L

N

K

F

F

T

I

L

L

L

I

K

E

E

N

I

I

G

G

D

S

I

L

C

S

I

L

N

-

Q

Q

T

K

A

Q

D

S

K

K

D

N

T

E

I

L

F

E

E

Q

M

F

L

L

D

D

F

I

Y

S

R

R

active site: R123 (= R109), K145 (= K131), E187 (= E173), K228 (= K213), R239 (= R227), N243 (= N231), H246 (= H234), H250 (= H238), H263 (= H253)
binding nicotinamide-adenine-dinucleotide: N45 (≠ D33), L51 (= L39), D73 (≠ E61), E75 (≠ D62), K78 (= K65), G107 (= G93), G108 (= G94), V109 (≠ M95), D112 (= D98), T132 (= T118), T133 (= T119), L135 (= L121), D139 (= D125), K145 (= K131), F172 (= F158), T175 (≠ S161), L176 (= L162), E180 (≠ N166)

3zokA Structure of 3-dehydroquinate synthase from actinidia chinensis in complex with NAD (see paper)
35% identity, 80% coverage: 64:344/353 of query aligns to 77:359/365 of 3zokA

query
sites
3zokA

H

Y

K
|
K

T

N

L

M

E

D

T

T

L

L

A

M

S

K

V

V

W

F

M

D

A

K

L

A

S

I

Q

E

Q

S

G

R

A

L

T

D

R

R

H

R

S

C

L

T

L

F

I

V

N

A

L

L

G

G

G
|
G

M
x
V

V

I

T

G

D
|
D

L

M

G

C

G

G

F

Y

A

A

T

S

F

F

K

L

R
|
R

G

G

I

V

S

N

Y

F

I

I

N

Q

I

I

P

P

T
|
T

L

V

L
x
M

A

A

M

Q

V

V

D
|
D

A
x
S

S

S

V

V

G

G

K
|
K

T

T

G

G

I

I

N

N

F

H

N

R

G

L

L

G

K
|
K

N

N

E

L

I

I

G

G

S

A

F

F

A

Y

P

Q

A

P

D

Q

S

C

V

V

L

L

I

I

E

D

T

T

E

D

F

T

L

L

R

N

S
x
T

L
|
L

D

P

A

D

Q

R

N
x
E

F

L

F

A

S

S

G

G

Y

L

A

A

E
|
E

M

V

L

V

K

K

H

Y

G

G

L

L

I

I

S

R

N

D

T

-

A

A

H

N

W

F

V

F

E

E

L

W

L

Q

D

E

F

K

N

N

T

M

N

P

N

A

I

L

-

M

-

A

-

R

D

D

Y

P

A

S

Y

A

L

L

K

A

N

Y

M

A

V

I

G

K

R

R

S

S

V

C

Q

E

V

N

K
|
K

E

A

D

E

I

V

V

V

E

S

Q

L

D

D

P

E

F

K

E
|
E

H

S

G

G

I

L

R
|
R

K

A

A

T

L

L

N
|
N

L

L

G

G

H
|
H

T

T

A

F

G

G

H
|
H

A

A

F

I

E

E

S

T

-

G

L

F

A

G

L

Y

A

G

E

Q

N

-

R

-

P

-

V

W

L

L

H
|
H

G

G

Y

E

A

A

V

V

A

A

W

A

G

G

I

M

V

V

C

M

E

A

L

V

Y

D

L

M

S

S

H

Y

L

-

K

R

V

L

G

G

F

W

P

I

K

D

D

E

K

S

M

I

R

V

Q

N

T

R

I

A

Q

H

F

N

I

I

-

L

-

Q

K

Q

E

A

N

K

Y

L

G

P

S

T

F

A

A

P

F

P

D

E

C

T

K

M

Q

T

Y

V

E

E

Q

M

L

F

Y

K

A

S

F

V

M

M

Q

A

H

V

D

D

K

K

N

V

T

A

S

D

G

G

T

L

V

L

N

R

F

L

T

I

L

L

K

K

-

G

E

P

I

L

G

G

D

N

I

C

C

V

I

F

N

T

Q

G

T

D

A

Y

D

D

K

R

D

K

T

A

I

L

F

D

E

E

M

T

L

L

active site: R122 (= R109), K144 (= K131), E186 (= E173), K228 (= K213), E238 (= E223), R242 (= R227), N246 (= N231), H249 (= H234), H253 (= H238), H266 (= H253)
binding glycine: K144 (= K131), K228 (= K213), R242 (= R227)
binding nicotinamide-adenine-dinucleotide: K78 (= K65), G106 (= G93), G107 (= G94), V108 (≠ M95), D111 (= D98), T131 (= T118), T132 (= T119), M134 (≠ L121), D138 (= D125), S139 (≠ A126), K144 (= K131), K153 (= K140), T174 (≠ S161), L175 (= L162), E179 (≠ N166), H266 (= H253)

Sites not aligning to the query:

binding nicotinamide-adenine-dinucleotide: 44, 45, 73, 75

U3KRF2 3-dehydroquinate synthase, chloroplastic; EC 4.2.3.4 from Actinidia chinensis var. chinensis (Chinese soft-hair kiwi) (see paper)
35% identity, 80% coverage: 64:344/353 of query aligns to 157:439/445 of U3KRF2

query
sites
U3KRF2

H

Y

K
|
K

T

N

L

M

E

D

T

T

L

L

A

M

S

K

V

V

W

F

M

D

A

K

L

A

S

I

Q

E

Q

S

G

R

A

L

T

D

R

R

H

R

S

C

L

T

L

F

I

V

N

A

L

L

G

G

G
|
G

M
x
V

V
x
I

T
x
G

D
|
D

L

M

G

C

G

G

F

Y

A

A

T

S

F

F

K

L

R

R

G

G

I

V

S

N

Y

F

I

I

N

Q

I

I

P

P

T
|
T

L

V

L

M

A

A

M

Q

V

V

D

D

A

S

S

S

V

V

G

G

K
|
K

T

T

G

G

I

I

N

N

F

H

N

R

G

L

L

G

K
|
K

N

N

E

L

I

I

G

G

S

A

F

F

A

Y

P

Q

A

P

D

Q

S

C

V

V

L

L

I

I

E

D

T

T

E

D

F
x
T

L
|
L

R
x
N

S
x
T

L

L

D

P

A

D

Q

R

N

E

F

L

F

A

S

S

G

G

Y

L

A

A

E

E

M

V

L

V

K

K

H

Y

G

G

L

L

I

I

S

R

N

D

T

-

A

A

H

N

W

F

V

F

E

E

L

W

L

Q

D

E

F

K

N

N

T

M

N

P

N

A

I

L

-

M

-

A

-

R

D

D

Y

P

A

S

Y

A

L

L

K

A

N

Y

M

A

V

I

G

K

R

R

S

S

V

C

Q

E

V

N

K
|
K

E

A

D

E

I

V

V

V

E

S

Q

L

D

D

P

E

F

K

E

E

H

S

G

G

I

L

R

R

K

A

A

T

L

L

N

N

L

L

G

G

H

H

T

T

A

F

G

G

H

H

A

A

F

I

E

E

S

T

-

G

L

F

A

G

L

Y

A

G

E

Q

N

-

R

-

P

-

V

W

L

L

H

H

G

G

Y

E

A

A

V

V

A

A

W

A

G

G

I

M

V

V

C

M

E

A

L

V

Y

D

L

M

S

S

H

Y

L

-

K

R

V

L

G

G

F

W

P

I

K

D

D

E

K

S

M

I

R

V

Q

N

T

R

I

A

Q

H

F

N

I

I

-

L

-

Q

K

Q

E

A

N

K

Y

L

G

P

S

T

F

A

A

P

F

P

D

E

C

T

K

M

Q

T

Y

V

E

E

Q

M

L

F

Y

K

A

S

F

V

M

M

Q

A

H

V

D

D

K

K

N

V

T

A

S

D

G

G

T

L

V

L

N

R

F

L

T

I

L

L

K

K

-

G

E

P

I

L

G

G

D

N

I

C

C

V

I

F

N

T

Q

G

T

D

A

Y

D

D

K

R

D

K

T

A

I

L

F

D

E

E

M

T

L

L

K158 (= K65) binding NAD(+)
GGVIGD 186:191 (≠ GGMVTD 93:98) binding NAD(+)
TT 211:212 (= TT 118:119) binding NAD(+)
K224 (= K131) binding NAD(+)
K233 (= K140) binding NAD(+)
TLNT 251:254 (≠ FLRS 158:161) binding NAD(+)
K308 (= K213) binding NAD(+)

Sites not aligning to the query:

122 binding NAD(+)
153:155 binding NAD(+)

1dqsA Crystal structure of dehydroquinate synthase (dhqs) complexed with carbaphosphonate, NAD+ and zn2+ (see paper)
33% identity, 87% coverage: 20:327/353 of query aligns to 28:362/381 of 1dqsA

query
sites
1dqsA

I

I

E

S

R

D

C

C

P

S

H

S

D

T

K

T

L

Y

F

V

I

L

L

V

T

T

D
|
D

E

T

H
x
N

T
x
I

Q

G

R

S

L

I

C

Y

L

T

P

P

S

S

L

F

K

E

E

E

V

-

S

A

F

F

L

R

K

K

D

R

A

A

V

A

E

E

I

I

C

T

I

P

G

S

A

P

E

R

-

L

-

I

-

Y

-

N

-

R

-

P

-

G

D
x
E

V

V

H

S

K
|
K

T

S

L

R

E

Q

T

T

L

K

A

A

S

D

V

I

-

E

-

D

W

W

M

M

A

L

L

S

S

Q

Q

N

Q

P

G

P

A

C

T

G

R

R

H

D

S

T

L

V

I

I

N

A

L

L

G

G

G
|
G

M
x
V

V

I

T

G

D
|
D

L

L

G

T

G

G

F

F

A

V

A

A

A

S

T

T

F

Y

K

M

R
|
R

G

G

I

V

S

R

Y

Y

I

V

N

Q

I

V

P

P

T
|
T

L

L

L
|
L

A

A

M

M

V

V

D
|
D

A
x
S

S

S

V

I

G

G

K
|
K

T

T

G

A

I

I

N

D

F

T

N

P

G

L

L

G

K
|
K

N
|
N

E

L

I

I

G

G

S

A

F

I

A

W

P

Q

A

P

D

T

S

K

V

I

L

Y

I

I

E

D

T

L

E

E

F

F

L

L

R

E

S
x
T

L

L

D
x
P

A

V

Q

R

N
x
E

F

F

F

I

S

N

G

G

Y

M

A

A

E
|
E

M

V

L

I

K

K

H

T

G

A

L

A

I

I

S

S

N

S

T

E

A

E

H

E

W

F

V

T

E

A

L

-

L

L

D

E

F

E

N

N

T

A

N

E

N

T

I

I

D

L

Y

K

A

A

Y

V

-

R

-

F

-

E

-

G

-

T

-

E

-

I

L

L

K

K

N

A

M

R

V

I

G

L

R

A

S

S

V

A

Q

R

V

H

K
|
K

E

A

D

Y

I

V

V

V

E

S

Q

A

D

D

P

E

F

R

E
|
E

H

G

G

G

I

L

R
|
R

K

N

A

L

L
|
L

N
|
N

L

W

G

G

H
|
H

T

S

A

I

G

G

H
|
H

A

A

F

I

E

E

S

A

L

I

A

L

L

T

A

P

E

Q

N

-

R

-

P

-

V

I

L

L

H
|
H

G

G

Y

E

A

C

V

V

A

A

W

I

G

G

I

M

V

V

C

K

E

E

L

A

Y

E

L

L

S

A

H

R

L

-

K

H

V

L

G

G

F

I

P

L

K

K

D

G

K

V

M

A

R

V

Q

S

T

R

I

I

Q

V

F

K

I

C

K

L

E

A

N

A

Y

Y

G

G

-

L

-

P

S

T

F

S

A

L

F

K

D

D

C

A

K

R

-

I

-

R

-

K

-

L

-

T

-

A

-

G

-

K

-

H

-

C

Q

S

Y

V

E

D

Q

Q

L

L

Y

M

A

F

F

N

M

M

Q

A

H

L

D

D

K
|
K

K

K

N

N

T

D

S

G

G

P

T

K

V

K

N

K

F

I

T

V

L

L

K

S

E

A

I

I

G

G

active site: R127 (= R109), K149 (= K131), E191 (= E173), K240 (= K213), E250 (= E223), R254 (= R227), N258 (= N231), H261 (= H234), H265 (= H238), H277 (= H253)
binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: D143 (= D125), K149 (= K131), N159 (= N141), E191 (= E173), K240 (= K213), R254 (= R227), L257 (= L230), N258 (= N231), H261 (= H234), H265 (= H238), H277 (= H253), K346 (= K311)
binding nicotinamide-adenine-dinucleotide: D41 (= D33), N43 (≠ H35), I44 (≠ T36), E78 (≠ D62), K81 (= K65), G111 (= G93), G112 (= G94), V113 (≠ M95), D116 (= D98), T136 (= T118), T137 (= T119), L139 (= L121), D143 (= D125), S144 (≠ A126), K158 (= K140), T179 (≠ S161), P181 (≠ D163), E184 (≠ N166), H277 (= H253)
binding zinc ion: E191 (= E173), H261 (= H234), H277 (= H253)

3qbdA 3-dehydroquinate synthase (arob) from mycobacterium tuberculosis in complex with NAD
35% identity, 77% coverage: 52:323/353 of query aligns to 60:318/344 of 3qbdA

query
sites
3qbdA

D

D

A

A

V

H

E

R

I

I

C

E

I

I

G

P

A
x
D

E
x
A

D
x
E

V

A

H

G

K
|
K

T

D

L

L

E

P

T

V

L

V

A

G

S

F

V

I

W

W

M

E

A

V

L

L

S

G

Q

R

Q

I

G

G

A

I

T

G

R

R

H

K

S

D

L

A

L

L

I

V

N

S

L

L

G

G

G
|
G

M
x
A

V

A

T

T

D
|
D

L

V

G

A

G

G

F

F

A

A

T

T

F

W

K

L

R
|
R

G

G

I

V

S

S

Y

I

I

V

N

H

I

L

P

P

T
|
T

L

L

L
|
L

A

G

M

M

V

V

D

D

A
|
A

S

A

V

V

G

G

K
|
K

T

T

G

G

I

I

N

N

F

T

N

D

G

A

L

G

K

K

N

N

E

L

I

V

G

G

S

A

F

F

A

H

P

Q

A

P

D

L

S

A

V

V

L

L

I

V

E

D

T

L

E

A

F

T

L

L

R

Q

S
x
T

L
|
L

D

P

A

R

Q

D

N

E

F

M

F

I

S

C

G

G

Y

M

A

A

E
|
E

M

V

L

V

K

K

H

A

G

G

L

F

I

I

S

A

N

D

T

P

A

V

H

-

W

I

V

L

E

D

L

L

L

I

D

E

F

A

N

D

T

P

N

Q

-

A

N

A

I

L

D

D

Y

P

A

A

-

G

-

D

Y

V

L

L

K

P

N

E

M

L

V

I

G

R

R

R

S

A

V

I

Q

T

V

V

K
|
K

E

A

D

E

I

V

V

V

E

A

Q

A

D

E

P

-

F

-

E

-

H

-

G

-

I

L

R
|
R

K

E

A

I

L

L

N
|
N

L

Y

G

G

H
|
H

T

T

A

L

G

G

H
|
H

A

A

F

I

E

E

S

R

L

R

A

E

L

R

A

Y

E

R

N

W

R

R

P

-

V

-

L

-

H
|
H

G

G

Y

A

A

A

V

V

A

S

W

V

G

G

I

L

V

V

C

F

E

A

L

A

Y

E

L

L

S

A

H

R

L

L

K

A

V

-

G

G

F

R

P

L

K

D

D

D

K

A

M

T

R

A

Q

Q

T

R

I

H

Q

R

F

T

I

I

K

L

E

S

N

S

Y

L

G

G

-

L

S

P

F

V

A

S

F

Y

D

D

C

P

K

D

Q

A

Y

L

E

P

Q

Q

L

L

Y</