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)
38% identity, 86% coverage: 50:378/381 of query aligns to 40:395/1583 of P07547

query
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P07547

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DTN 44:46 (≠ DAN 54:56) binding NAD(+)
EVSK 81:84 (≠ EKTK 86:89) binding NAD(+)
GGV 114:116 (= GGV 117:119) binding NAD(+)
D119 (= D122) binding NAD(+)
TT 139:140 (= TT 142:143) binding NAD(+)
K161 (= K164) binding NAD(+)
FLET 179:182 (≠ TLDT 182:185) binding NAD(+)
N190 (≠ A193) binding NAD(+)
E194 (= E197) binding Zn(2+)
H271 (= H260) binding Zn(2+)
H287 (= H278) binding Zn(2+)

1xagA Crystal structure of staphlyococcus aureus 3-dehydroquinate synthase (dhqs) in complex with zn2+, NAD+ and carbaphosphonate (see paper)
38% identity, 79% coverage: 80:379/381 of query aligns to 62:351/353 of 1xagA

query
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1xagA

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active site: R115 (= R133), K136 (= K155), E178 (= E197), K221 (= K239), E231 (= E249), R235 (= R253), N239 (= N257), H242 (= H260), H246 (= H264), H256 (= H278)
binding [1r-(1alpha,3beta,4alpha,5beta)]-5-(phosphonomethyl)-1,3,4-trihydroxycyclohexane-1-carboxylic acid: K136 (= K155), N146 (= N165), E178 (= E197), K221 (= K239), R235 (= R253), L238 (= L256), N239 (= N257), H242 (= H260), H246 (= H264), K314 (= K341)
binding nicotinamide-adenine-dinucleotide: E68 (= E86), K71 (= K89), G99 (= G117), G100 (= G118), A101 (≠ V119), D104 (= D122), T124 (= T142), T125 (= T143), L127 (= L145), D130 (= D149), S131 (= S150), K136 (= K155), K145 (= K164), T166 (= T185), L167 (= L186), Q171 (≠ E190), H256 (= H278)
binding zinc ion: E178 (= E197), H242 (= H260), H256 (= H278)

Sites not aligning to the query:

binding nicotinamide-adenine-dinucleotide: 39, 41, 42, 45

Q6GGU4 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Staphylococcus aureus (strain MRSA252) (see paper)
34% identity, 94% coverage: 21:379/381 of query aligns to 9:351/354 of Q6GGU4

query
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Q6GGU4

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D39 (= D54) binding NAD(+)
Y45 (≠ L60) binding NAD(+)
EKTK 68:71 (= EKTK 86:89) binding NAD(+)
GATGD 100:104 (≠ GVIGD 118:122) binding NAD(+)
TT 124:125 (= TT 142:143) binding NAD(+)
K136 (= K155) binding NAD(+)
K145 (= K164) binding NAD(+)
FLKT 163:166 (≠ TLDT 182:185) binding NAD(+)
E178 (= E197) binding Zn(2+)
H242 (= H260) binding Zn(2+)
H256 (= H278) binding Zn(2+)

3clhA Crystal structure of 3-dehydroquinate synthase (dhqs)from helicobacter pylori (see paper)
37% identity, 76% coverage: 19:306/381 of query aligns to 5:264/308 of 3clhA

query
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3clhA

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K

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A

V

V

I

Y

A

M

D

D

T

L

A

A

T

F

L

L

D

K

T
|
T

L
|
L

P

E

R

K

R

R

E
|
E

V

F

L

Q

A

A

G

G

Y

V

A

A

E
|
E

V

I

K

K

Y

M

G

A

L

V

I

C

R

F

Q

D

P

K

D

N

F

L

F

V

A

E

W

R

L

L

E

E

G

T

N

K

G

D

R

L

R

K

V

-

D

-

G

-

D

-

S

-

D

D

A

C

R

L

R

E

H

E

A

V

V

I

T

F

V

Q

S

S

C

V

R

N

A

I

K
|
K

A

A

D

Q

I

V

V

V

G

-

V

-

D

-

E

-

R

-

E

-

S

-

G

-

D

-

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

L

I

E

E

A

K

A

E

T

T

G

D

F

Y

G

-

Q

E

T

R

L

F

L

L

H
|
H

G

G

E

E

G

A

V

I

A

A

I

I

G

G

M

M

V

R

L

M

A

A

F

N

D

D

L

L

S

A

V

L

R

S

L

L

G

G

L

M

C

L

P

T

A

L

E

K

D

E

A

Y

R

E

R

R

active site: R107 (= R133), K129 (= K155), E171 (= E197), K207 (= K239), R212 (= R253), N216 (= N257), H219 (= H260), H223 (= H264), H236 (= H278)
binding nicotinamide-adenine-dinucleotide: I33 (≠ N56), V34 (= V57), H38 (= H61), S58 (≠ A84), E60 (= E86), K63 (= K89), G91 (= G117), G92 (= G118), V93 (= V119), D96 (= D122), T116 (= T142), T117 (= T143), L119 (= L145), D123 (= D149), A124 (≠ S150), K129 (= K155), N139 (= N165), T159 (= T185), L160 (= L186), E164 (= E190)

P9WPX9 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
42% identity, 72% coverage: 80:354/381 of query aligns to 69:336/362 of P9WPX9

query
sites
P9WPX9

I

I

I

E

L

I

P

P

A
x
D

G
x
A

E
|
E

K
x
A

T
x
G

K
|
K

D

D

F

L

D

P

H

-

F

V

Q

V

Q

G

L

F

M

I

D

W

D

E

I

V

L

L

G

G

R

R

-

I

G

G

I

I

E

G

R

R

S

K

T

D

M

A

L

L

L

V

A

S

L

L

G

G

G
|
G

V
x
A

I
x
A

G
x
T

D
|
D

I

V

T

A

G

G

F

F

A

A

T

T

A

W

L

L

R

R

G

G

I

V

D

S

F

I

I

V

Q

H

V

L

P

P

T
|
T

L

L

S

G

Q

M

V

V

D

D

S

A

V

V

G

G

K
|
K

T

T

G

G

I

I

N

N

S

T

R

D

H

A

G

G

K

K

N

N

L

L

I

V

G

G

A

A

F

F

H

H

Q

Q

P

P

R

L

L

A

V

V

I

L

A

V

D

D

T

L

A

A

T
|
T

L
|
L

D
x
Q

T
|
T

L

L

P

P

R

R

R

D

E

E

V

M

L

I

A

C

G

G

Y

M

A

A

E

E

V

V

K

K

Y

A

G

G

L

F

I

I

R

A

Q

D

P

P

D

V

F

I

F

L

A

D

W

L

L

I

E

E

G

A

N

D

G

P

R

Q

R

A

V

A

V

L

D

D

G

P

D

A

S

G

D

D

A

V

R

L

R

P

H

E

A

L

V

I

T

R

V

R

S

A

C

I

R

T

A

V

K

K

A

A

D

E

I

V

V

V

G

A

V

A

D

D

E

E

R

K

E

E

S

S

G

E

D

L

R

R

A

E

L

I

L

L

N

N

L

Y

G

G

H

H

T

T

F

L

G

G

H

H

A

A

L

I

E

E

A

R

T

E

G

R

F

Y

G

-

Q

-

T

R

L

W

L

R

H

H

G

G

E

A

G

A

V

V

A

S

I

V

G

G

M

L

V

V

L

F

A

A

F

A

D

E

L

L

S

A

V

R

R

L

L

A

G

G

L

R

C

L

P

D

A

D

E

A

D

T

A

A

R

Q

R

R

A

H

R

R

A

T

H

I

L

L

A

S

D

S

V

L

G

G

L

L

P

P

V

-

R

-

P

-

A

-

D

-

I

-

P

-

G

-

V

V

T

S

W

Y

D

D

V

P

D

D

G

A

-

L

-

P

-

Q

L

L

V

L

R

E

S

I

M

M

A

A

K

G

D

D

K

K

V

T

R

R

D

A

G

G

R

V

I

L

T

R

F

F

I

V

L

V

A

L

D

D

DAEAGK 73:78 (≠ AGEKTK 84:89) binding NAD(+)
GAATD 107:111 (≠ GVIGD 118:122) binding NAD(+)
TT 131:132 (= TT 142:143) binding NAD(+)
K144 (= K155) binding NAD(+)
TLQT 171:174 (≠ TLDT 182:185) binding NAD(+)

Sites not aligning to the query:

45 binding NAD(+)

6c5cA Crystal structure of the 3-dehydroquinate synthase (dhqs) domain of aro1 from candida albicans sc5314 in complex with nadh (see paper)
42% identity, 72% coverage: 85:360/381 of query aligns to 82:368/385 of 6c5cA

query
sites
6c5cA

G

G

E
|
E

K

N

T

N

K
|
K

D

N

F

R

D

A

H

T

F

K

Q

A

L

V

M

E

D

D

D

F

I

L

L

L

G

Q

R

Q

G

G

I

C

E

T

R

R

S

D

T

T

M

V

L

I

L

L

A

A

L

V

G

G

G
|
G

V
|
V

I

I

G

G

D
|
D

I

M

T

I

G

G

F

F

A

V

A

A

T

T

A

F

L

M

R
|
R

G

G

I

V

D

R

F

V

I

V

Q

Q

V

V

P

P

T
|
T

L

L

S

A

Q

M

V

V

D
|
D

S
|
S

S

S

V

V

G

G

K
|
K

T

T

G

A

I

I

N

D

S

T

R

P

H

L

G

G

K

K

N

N

L

F

I

I

G

G

A

A

F

F

H

H

Q

Q

P

P

R

E

L

Y

V

V

I

F

A

C

D

D

T

V

A

S

T
x
F

L

L

D

E

T
|
T

L
|
L

P

P

R

A

R

R

E
x
Q

V

F

L

I

A

N

G

G

Y

M

A

A

E
|
E

V

V

K

K

Y

T

G

A

L

A

I

I

R

W

Q

N

P

E

D

E

F

E

F

F

A

T

W

R

L

L

E

E

G

N

N

F

G

S

R

K

-

F

-

L

-

S

-

V

V

V

V

T

D

S

G

K

D

K

S

P

D

D

A

L

R

Q

R

S

-

I

-

K

-

A

-

E

-

L

-

V

H

K

A

T

V

V

T

L

V

E

S

S

C

V

R

R

A

V

K
|
K

A

A

D

G

I

V

V

V

G

S

V

S

D

D

E

-

R

-

E
|
E

S

A

G

G

D

L

R
|
R

A

N

L

L

N
|
N

L

F

G

G

H
|
H

T

T

F

I

G

G

H
|
H

A

A

L

I

E

E

A

A

A

V

T

-

G

-

F

L

G

T

Q

P

T

E

L

A

L

L

H
|
H

G

G

E

E

G

C

V

V

A

S

I

I

G

G

M

M

V

I

L

K

A

E

F

A

D

E

L

L

S

S

V

R

R

Y

L

L

G

G

L

I

C

L

P

P

A

P

E

V

D

A

A

V

R

A

R

R

A

L

R

S

A

K

H

C

L

L

A

V

D

A

V

Y

G

G

L

L

P

P

V

V

R

S

P

I

A

D

D

D

I

K

-

E

-

F

-

L

-

K

-

V

-

G

P

P

G

K

V

R

T

H

W

Y

-

V

D

E

V

I

D

D

G

I

L

L

V

L

R

K

S

K

M

M

A

A

K

I

D

D

K

K

V

-

R

-

D

-

G

N

R

D

I

I

T

R

F

C

I

V

L

L

A

L

D

E

R

K

I

I

G

G

N

K

A

C

F

Y

active site: R130 (= R133), K152 (= K155), E194 (= E197), K246 (= K239), E254 (= E249), R258 (= R253), N262 (= N257), H265 (= H260), H269 (= H264), H281 (= H278)
binding nicotinamide-adenine-dinucleotide: E83 (= E86), K86 (= K89), G114 (= G117), G115 (= G118), V116 (= V119), D119 (= D122), T139 (= T142), T140 (= T143), D146 (= D149), S147 (= S150), F179 (≠ T182), T182 (= T185), L183 (= L186), Q187 (≠ E190)

Sites not aligning to the query:

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

1nvaA Crystal structure of 3-dehydroquinate synthase (dhqs) in complex with zn2+ and adp (see paper)
37% identity, 85% coverage: 50:374/381 of query aligns to 37:379/380 of 1nvaA

query
sites
1nvaA

I

V

V

L

V

V

T

T

D
|
D

A

T

N
|
N

V

I

A

G

P

S

L

I

H

Y

L

T

D

P

T

S

L

F

N

E

A

E

A

A

M

F

L

R

D

K

-

R

-

A

A

A

G

E

I

I

A

T

P

P

Q

S

P

P

A

R

I

L

L

I

-

Y

-

N

-

R

P

P

A

P

G

G

E

E

K

V

T

S

K

K

D

S

F

R

D

Q

H

T

F

K

Q

A

Q

D

L

I

M

E

D

D

D

W

I

M

L

L

G

S

R

Q

G

N

-

P

I

C

E

G

R

R

S

D

T

T

M

V

L

V

L

I

A

A

L

L

G

G

G
|
G

V

V

I

I

G

G

D

D

I

L

T

T

G

G

F

F

A

V

A

A

A

S

T

T

A

Y

L

M

R
|
R

G

G

I

V

D

R

F

Y

I

V

Q

Q

V

V

P

P

T
|
T

L

L

S

A

Q

M

V

V

D

D

S

S

V

I

G

G

K
|
K

T

T

G

A

I

I

N

D

S

T

R

P

H

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

I

Y

A

I

D

D

T

L

A

E

T
x
F

L

L

D

E

T
|
T

L
|
L

P

P

R

V

R

R

E

E

V

F

L

I

A

N

G

G

Y

M

A

A

E
|
E

V

V

V

I

K

K

Y

T

G

A

L

A

I

I

R

S

Q

S

P

E

D

E

F

E

F

F

A

T

W

A

L

L

E

E

G

E

N

N

G

A

R

E

R

T

V

I

V

L

-

K

-

A

-

V

-

R

-

E

-

V

-

T

-

P

-

G

-

E

-

H

-

R

-

F

D

E

G

G

D

T

S

E

D

E

A

I

R

L

R

K

H

A

A

R

V

I

T

L

V

A

S

S

C

A

R

R

A

H

K
|
K

A

A

D

Y

I

V

V

V

G

S

V

A

D

-

E

-

R

-

E

-

S

G

G

G

D

L

R
|
R

A

N

L

L

N
|
N

L

W

G

G

H
|
H

T

S

F

I

G

G

H
|
H

A

A

L

I

E

E

A

A

A

I

T

-

G

-

F

L

G

T

Q

P

T

Q

L

I

L

L

H
|
H

G

G

E

E

G

C

V

V

A

A

I

I

G

G

M

M

V

V

L

K

A

E

F

A

D

E

L

L

S

A

V

R

R

H

L

L

G

G

L

I

C

L

P

K

A

G

E

V

D

A

A

V

R

S

R

R

A

I

R

V

A

K

H

C

L

L

A

A

D

A

V

Y

G

G

L

L

P

P

V

T

R

S

P

L

A

K

D

D

-

A

-

R

-

I

-

R

-

K

-

L

I

T

P

A

G

G

V

K

T

H

W

C

D

S

V

V

D

D

G

Q

L

L

V

M

R

F

S

N

M

M

A

A

K

L

D

D

K

P

K

K

V

K

R

K

D

-

G

-

R

-

I

-

T

-

F

I

I

V

L

L

A

L

D

S

R

A

I

I

G

G

N

T

A

P

F

Y

-

E

T

T

R

R

R

A

D

S

V

V

D

V

A

A

D

N

A

E

-

D

V

I

R

R

A

V

V

V

L

L

active site: R127 (= R133), K149 (= K155), E191 (= E197), K247 (= K239), R257 (= R253), N261 (= N257), H264 (= H260), H268 (= H264), H280 (= H278)
binding adenosine-5'-diphosphate: D41 (= D54), N43 (= N56), G111 (= G117), G112 (= G118), T136 (= T142), T137 (= T143), F176 (≠ T182), T179 (= T185), L180 (= L186)
binding zinc ion: E191 (= E197), H264 (= H260), H280 (= H278)

Query Sequence

>WP_012972711.1 NCBI__GCF_000010725.1:WP_012972711.1
MTSVNASIPAELDTVRLELGARSYDILVGDGVLADAGERIAAVTRGRAPIVVTDANVAPL
HLDTLNAAMLDAGIAPQPAIILPAGEKTKDFDHFQQLMDDILGRGIERSTMLLALGGGVI
GDITGFAAATALRGIDFIQVPTTLLSQVDSSVGGKTGINSRHGKNLIGAFHQPRLVIADT
ATLDTLPRREVLAGYAEVVKYGLIRQPDFFAWLEGNGRRVVDGDSDARRHAVTVSCRAKA
DIVGVDERESGDRALLNLGHTFGHALEAATGFGQTLLHGEGVAIGMVLAFDLSVRLGLCP
AEDARRARAHLADVGLPVRPADIPGVTWDVDGLVRSMAKDKKVRDGRITFILADRIGNAF
TRRDVDADAVRAVLEEAVTPA

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