SitesBLAST

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, 88% coverage: 23:337/356 of query aligns to 24:372/1583 of P07547

query
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P07547

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DTN 44:46 (≠ DDN 43:45) binding NAD(+)
EVSK 81:84 (≠ EKSK 74:77) binding NAD(+)
GGV 114:116 (= GGV 105:107) binding NAD(+)
D119 (= D110) binding NAD(+)
TT 139:140 (≠ TS 130:131) binding NAD(+)
K161 (= K152) binding NAD(+)
FLET 179:182 (≠ FLKT 170:173) binding NAD(+)
N190 (≠ D181) binding NAD(+)
E194 (= E185) binding Zn(2+)
H271 (= H246) binding Zn(2+)
H287 (= H263) binding Zn(2+)

6c5cA Crystal structure of the 3-dehydroquinate synthase (dhqs) domain of aro1 from candida albicans sc5314 in complex with nadh (see paper)
35% identity, 92% coverage: 14:340/356 of query aligns to 16:368/385 of 6c5cA

query
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6c5cA

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active site: R130 (= R121), K152 (= K143), E194 (= E185), K246 (= K225), E254 (= E233), R258 (= R239), N262 (= N243), H265 (= H246), H269 (= H250), H281 (= H263)
binding nicotinamide-adenine-dinucleotide: D45 (= D43), N47 (= N45), M48 (≠ V46), E83 (= E74), K86 (= K77), G114 (= G105), G115 (= G106), V116 (= V107), D119 (= D110), T139 (= T130), T140 (≠ S131), D146 (= D137), S147 (= S138), F179 (= F170), T182 (= T173), L183 (= L174), Q187 (≠ F178)

3clhA Crystal structure of 3-dehydroquinate synthase (dhqs)from helicobacter pylori (see paper)
41% identity, 76% coverage: 36:304/356 of query aligns to 24:277/308 of 3clhA

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3clhA

E

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active site: R107 (= R121), K129 (= K143), E171 (= E185), K207 (= K225), R212 (= R239), N216 (= N243), H219 (= H246), H223 (= H250), H236 (= H263)
binding nicotinamide-adenine-dinucleotide: I33 (≠ N45), V34 (= V46), H38 (≠ Y50), S58 (≠ A72), E60 (= E74), K63 (= K77), G91 (= G105), G92 (= G106), V93 (= V107), D96 (= D110), T116 (= T130), T117 (≠ S131), L119 (= L133), D123 (= D137), A124 (≠ S138), K129 (= K143), N139 (= N153), T159 (= T173), L160 (= L174), E164 (≠ F178)

1xagA Crystal structure of staphlyococcus aureus 3-dehydroquinate synthase (dhqs) in complex with zn2+, NAD+ and carbaphosphonate (see paper)
33% identity, 96% coverage: 4:346/356 of query aligns to 3:339/353 of 1xagA

query
sites
1xagA

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L

D

Q

N

S

I

L

-

N

-

G

-

M

E

D

Y

K

V

Y

I

I

H

A

A

K

C

G

C

I

R

E

I

T

K
|
K

K

L

Q

D

V

I

V

V

E

V

N

A

D

D

E

E

K

K

D
x
E

N

Q

G

G

E

V

R
|
R

M

K

I

F

L
|
L

N
|
N

F

L

G

G

H
|
H

T

T

I

F

G

G

H
|
H

A

A

V

V

E

E

E

-

F

-

H

Y

Y

Y

E

H

K

K

F

I

T

P

H
|
H

G

G

E

H

C

A

V

V

A

M

Y

V

G

G

M

I

Y

I

S

Y

I

Q

T

F

K

I

N

V

S

A

E

N

R

A

L

L

G

F

I

D

T

S

K

K

E

H

G

D

T

I

T

S

E

H

K

Y

L

I

K

Q

N

Y

I

L

I

I

K

Q

-

L

K

G

Y

Y

S

P

L

L

P

D

F

M

N

-

I

I

D

T

N

D

L

L

K

D

N

F

E

E

R

T

I

L

Y

Y

E

Q

I

Y

A

M

A

L

L

S

D

D

K
|
K

K

K

S

N

R

D

G

K

K

Q

F

G

I

V

N

Q

L

M

V

V

L

L

L

M

K

R

D

Q

I

F

G

G

D

D

C

I

F

V

I

V

E

Q

K

H

V

V

E

D

S

Q

active site: R115 (= R121), K136 (= K143), E178 (= E185), K221 (= K225), E231 (≠ D235), R235 (= R239), N239 (= N243), H242 (= H246), H246 (= H250), H256 (= H263)
binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: K136 (= K143), N146 (= N153), E178 (= E185), K221 (= K225), R235 (= R239), L238 (= L242), N239 (= N243), H242 (= H246), H246 (= H250), K314 (= K321)
binding nicotinamide-adenine-dinucleotide: D39 (= D43), Y41 (≠ N45), V42 (= V46), Y45 (≠ F49), E68 (= E74), K71 (= K77), G99 (= G105), G100 (= G106), A101 (≠ V107), D104 (= D110), T124 (= T130), T125 (≠ S131), L127 (= L133), D130 (= D137), S131 (= S138), K136 (= K143), K145 (= K152), T166 (= T173), L167 (= L174), Q171 (≠ F178), H256 (= H263)
binding zinc ion: E178 (= E185), H242 (= H246), H256 (= H263)

Q6GGU4 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Staphylococcus aureus (strain MRSA252) (see paper)
33% identity, 96% coverage: 4:346/356 of query aligns to 3:339/354 of Q6GGU4

query
sites
Q6GGU4

L

L

E

Q

M

T

E

T

L

Y

G

P

Q

S

N

N

S

N

Y

Y

S

P

I

I

F

F

I

V

E

E

K

H

G

G

I

A

M

I

N

D

D

H

I

I

G

S

K

T

R

Y

I

I

S

D

K

Q

L

F

Y

-

S

-

G

-

E

D

K

Q

I

S

V

F

L

I

I

L

T

I

D
|
D

D

E

N

H

V

V

N

N

K

Q

F
x
Y

Y

F

G

A

E

D

K

K

L

F

E

-

K

N

N

D

I

I

K

L

D

S

F

Y

G

E

Y

-

D

N

V

V

F

H

K

K

I

V

V

I

I

I

K

P

A

A

G

G

E
|
E

K
|
K

S
x
T

K
|
K

N

T

I

F

K

E

T

Q

L

Y

T

Q

D

E

I

T

Y

L

S

E

R

Y

L

I

A

L

E

S

F

H

R

H

I

V

T

T

R

R

S

N

D

T

L

A

I

I

V

I

T

A

L

V

G

G

G
|
G

V
x
A

V
x
T

G
|
G

D
|
D

I

F

G

A

G

G

F

F

A

V

A

A

T

T

Y

L

L

L

R

R

G

G

I

V

S

H

Y

F

I

I

Q

Q

I

V

P

P

T
|
T

S
x
T

L

I

L

L

A

A

Q

H

I

-

D

D

S

S

I

V

G

G

K
|
K

V

V

A

G

V

I

D

N

L

S

E

K

Q

Q

G

G

K
|
K

N

N

L

L

V

I

G

G

N

A

F

F

Y

Y

Q

R

P

P

K

T

A

A

V

V

F

I

I

Y

D

D

P

L

L

D

F
|
F

L
|
L

K
|
K

T
|
T

L

L

D

P

I

F

R

E

F

Q

L

I

H

L

D

S

G

G

M

Y

G

A

E
|
E

V

V

I

Y

K

K

Y

H

G

A

A

L

I

L

R

N

D

G

G

E

E

S

L

A

F

T

K

Q

R

D

L

I

E

E

E

Q

F

H

K

F

D

K

D

D

N

R

E

E

L

I

M

L

D

Q

N

S

I

L

-

K

-

G

-

M

E

D

Y

K

V

Y

I

I

H

A

A

K

C

G

C

I

R

E

I

T

K

K

K

L

Q

D

V

I

V

V

E

V

N

A

D

D

E

E

K

K

D

E

N

Q

G

G

E

V

R

R

M

K

I

F

L

L

N

N

F

L

G

G

H
|
H

T

T

I

F

G

G

H

H

A

A

V

V

E

E

E

-

F

-

H

Y

Y

Y

E

H

K

K

F

I

T

P

H
|
H

G

G

E

H

C

A

V

V

A

M

Y

V

G

G

M

I

Y

I

S

Y

I

Q

T

F

K

I

N

V

S

A

E

N

R

A

L

L

G

F

I

D

T

S

K

K

E

H

G

D

T

I

T

N

E

H

K

Y

L

I

K

Q

N

Y

I

L

I

I

K

Q

-

L

K

G

Y

Y

S

P

L

L

P

D

F

M

N

-

I

I

D

T

N

D

L

L

K

D

N

F

E

E

R

T

I

L

Y

Y

E

Q

I

Y

A

M

A

L

L

S

D

D

K

K

S

N

R

D

G

K

K

Q

F

G

I

V

N

Q

L

M

V

V

L

L

L

I

K

R

D

Q

I

F

G

G

D

D

C

I

F

V

I

V

E

Q

K

H

V

V

E

D

S

Q

D39 (= D43) binding NAD(+)
Y45 (≠ F49) binding NAD(+)
EKTK 68:71 (≠ EKSK 74:77) binding NAD(+)
GATGD 100:104 (≠ GVVGD 106:110) binding NAD(+)
TT 124:125 (≠ TS 130:131) binding NAD(+)
K136 (= K143) binding NAD(+)
K145 (= K152) binding NAD(+)
FLKT 163:166 (= FLKT 170:173) binding NAD(+)
E178 (= E185) binding Zn(2+)
H242 (= H246) binding Zn(2+)
H256 (= H263) binding Zn(2+)

P9WPX9 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
36% identity, 79% coverage: 52:333/356 of query aligns to 53:335/362 of P9WPX9

query
sites
P9WPX9

E

E

K

E

L

I

E

R

K

K

N

R

I

L

K

A

D

G

F

K

G

G

Y

V

D

D

V

A

F

H

K

R

I

I

V

E

I

I

K

P

A
x
D

G
x
A

E
|
E

K
x
A

S
x
G

K
|
K

N

D

I

L

K

P

T

V

L

V

T

G

D

F

I

I

Y

W

S

E

R

V

L

L

A

G

E

R

F

I

R

G

I

I

T

G

R

R

S

K

D

D

L

A

I

L

V

V

T

S

L

L

G

G

G
|
G

V
x
A

G
x
T

D
|
D

I

V

G

A

G

G

F

F

A

A

T

T

Y

W

L

L

R

R

G

G

I

V

S

S

Y

I

I

V

Q

H

I

L

P

P

T
|
T

S
x
T

L

L

A

G

Q

M

I

V

D

D

S

A

I

V

G

G

K
|
K

V

T

A

G

V

I

D

N

L

T

E

D

Q

A

G

G

K

K

N

N

L

L

V

V

G

G

N

A

F

F

Y

H

Q

Q

P

P

K

L

A

A

V

V

F

L

I

V

D

D

P

L

L

A

F
x
T

L
|
L

K
x
Q

T
|
T

L

L

D

P

I

R

R

D

F

E

L

M

H

I

D

C

G

G

M

M

G

A

E

E

V

V

I

V

K

K

Y

A

G

G

A

F

I

I

R

A

D

D

G

P

E

V

L

I

F

L

K

D

R

L

L

I

E

E

E

-

F

-

K

A

D

D

D

P

N

Q

E

A

L

A

M

L

D

D

N

P

I

A

E

G

Y

D

V

V

I

L

H

P

A

E

C

L

C

I

R

R

-

R

-

A

-

I

-

T

I

V

K

K

K

A

Q

E

V

V

E

A

N

A

D

D

E

E

K

K

D

E

N

S

G

E

E

L

R

R

M

E

I

I

L

L

N

N

F

Y

G

G

H

H

T

T

I

L

G

G

H

H

A

A

V

I

E

E

E

R

F

R

F

E

H

R

Y

Y

E

-

K

R

F

W

T

R

H

H

G

G

E

A

C

A

V

V

A

S

Y

V

G

G

M

L

Y

V

S

F

I

A

T

A

K

E

N

L

S

A

E

R

R

L

L

A

G

G

I

R

T

L

K

D

E

D

G

A

T

T

T

A

E

Q

K

R

L

H

K

R

N

T

I

I

I

L

K

S

Y

L

S

G

L

L

P

P

F

V

N

S

I

Y

D

D

N

P

L

D

K

A

N

L

E

P

R

Q

I

L

Y

L

E

E

I

I

A

M

A

A

L

G

D

D

K

K

S

T

R

R

G

A

K

G

F

V

I

L

N

R

L

F

V

V

L

V

L

L

DAEAGK 73:78 (≠ AGEKSK 72:77) binding NAD(+)
GAATD 107:111 (≠ GVVGD 106:110) binding NAD(+)
TT 131:132 (≠ TS 130:131) binding NAD(+)
K144 (= K143) binding NAD(+)
TLQT 171:174 (≠ FLKT 170:173) binding NAD(+)

Sites not aligning to the query:

45 binding NAD(+)

1nvaA Crystal structure of 3-dehydroquinate synthase (dhqs) in complex with zn2+ and adp (see paper)
35% identity, 86% coverage: 14:318/356 of query aligns to 11:332/380 of 1nvaA

query
sites
1nvaA

S

S

I

I

F

I

I

A

E

D

K

F

G

G

I

L

M

W

-

R

N

N

D

Y

I

V

G

A

K

K

R

D

I

L

S

I

K

S

L

D

Y

C

S

S

G

S

E

T

K

T

I

Y

V

V

L

L

I

V

T

T

D
|
D

D

T

N
|
N

V

I

N

G

K

S

F

I

Y

Y

G

T

E

P

K

S

L

F

E

E

K

E

N

A

I

F

K

R

D

K

F

R

G

A

Y

A

D

E

V

I

F

T

-

P

-

S

-

P

K

R

I

L

V

L

I

I

-

Y

-

N

-

R

K

P

A

P

G

G

E

E

K

V

S

S

K

K

N

S

I

R

K

Q

T

T

L

K

T

A

D

D

I

I

-

E

-

D

Y

W

S

M

R

L

L

S

A

Q

E

N

F

P

R

P

I

C

T

G

R

R

S

D

D

T

L

V

I

V

V

I

T

A

L

L

G

G

G
|
G

V

V

V

I

G

G

D

D

I

L

G

T

G

G

F

F

A

V

A

A

A

S

T

T

Y

Y

L

M

R
|
R

G

G

I

V

S

R

Y

Y

I

V

Q

Q

I

V

P

P

T
|
T

S
x
T

L

L

A

A

Q

M

I

V

D

D

S

S

I

I

G

G

K
|
K

V

T

A

A

V

I

D

D

L

T

E

P

Q

L

G

G

K

K

N

N

L

L

V

I

G

G

N

A

F

I

Y

W

Q

Q

P

P

K

T

A

K

V

I

F

Y

I

I

D

D

P

L

L

E

F
|
F

L

L

K

E

T
|
T

L
|
L

D

P

I

V

R

R

F

E

L

F

H

I

D

N

G

G

M

M

G

A

E
|
E

V

V

I

I

K

K

Y

T

G

A

A

A

I

I

R

S

D

S

G

E

E

E

L

E

F

F

K

T

R

A

L

L

E

E

-

N

-

A

-

E

-

T

-

I

-

L

-

K

-

A

-

V

-

R

-

E

-

V

-

T

-

P

-

G

-

E

-

H

-

R

F

F

K

E

D

G

D

T

N

E

E

E

L

I

M

L

D

-

N

-

I

-

E

K

Y

A

V

R

I

I

H

L

A

A

C

S

C

A

R

R

I

H

K
|
K

K

A

Q

Y

V

V

E

S

N

A

D

-

E

-

K

-

D

-

N

G

G

G

E

L

R
|
R

M

N

I

L

L

L

N
|
N

F

W

G

G

H
|
H

T

S

I

I

G

G

H
|
H

A

A

V

I

E

E

E

A

F

I

F

L

H

-

Y

T

E

P

K

Q

F

I

T

L

H
|
H

G

G

E

E

C

C

V

V

A

A

Y

I

G

G

M

M

Y

V

S

K

I

E

T

A

K

E

N

L

S

A

E

R

R

H

L

L

G

G

I

I

T

L

K

K

E

G

G

V

T

A

T

V

E

S

K

R

L

I

K

V

N

K

I

C

I

L

K

A

Y

Y

S

G

L

L

P

P

F

-

N

-

I

-

D

T

N

S

L

L

K

K

N

D

E

A

R

R

I

I

Y

R

E

K

I

L

A

T

A

A

active site: R127 (= R121), K149 (= K143), E191 (= E185), K247 (= K225), R257 (= R239), N261 (= N243), H264 (= H246), H268 (= H250), H280 (= H263)
binding adenosine-5'-diphosphate: D41 (= D43), N43 (= N45), G111 (= G105), G112 (= G106), T136 (= T130), T137 (≠ S131), F176 (= F170), T179 (= T173), L180 (= L174)
binding zinc ion: E191 (= E185), H264 (= H246), H280 (= H263)

Query Sequence

>WP_010964212.1 NCBI__GCF_000008765.1:WP_010964212.1
MKTLEMELGQNSYSIFIEKGIMNDIGKRISKLYSGEKIVLITDDNVNKFYGEKLEKNIKD
FGYDVFKIVIKAGEKSKNIKTLTDIYSRLAEFRITRSDLIVTLGGGVVGDIGGFAAATYL
RGISYIQIPTSLLAQIDSSIGGKVAVDLEQGKNLVGNFYQPKAVFIDPLFLKTLDIRFLH
DGMGEVIKYGAIRDGELFKRLEEFKDDNELMDNIEYVIHACCRIKKQVVENDEKDNGERM
ILNFGHTIGHAVEEFFHYEKFTHGECVAYGMYSITKNSERLGITKEGTTEKLKNIIKKYS
LPFNIDNLKNERIYEIAALDKKSRGKFINLVLLKDIGDCFIEKVESKETYKYLRVV

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