SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_025274781.1 NCBI__GCF_000527155.1:WP_025274781.1 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)

P9WPX9 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)
54% identity, 66% coverage: 178:519/519 of query aligns to 17:361/362 of P9WPX9

query
sites
P9WPX9

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Q45 (≠ S206) binding NAD(+)
DAEAGK 73:78 (= DAEAGK 233:238) binding NAD(+)
GAATD 107:111 (≠ GAVSD 267:271) binding NAD(+)
TT 131:132 (≠ TS 291:292) binding NAD(+)
K144 (= K304) binding NAD(+)
TLQT 171:174 (≠ MLRT 331:334) binding NAD(+)

3qbeA Crystal structure of the 3-dehydroquinate synthase (arob) from mycobacterium tuberculosis
53% identity, 66% coverage: 178:519/519 of query aligns to 12:352/352 of 3qbeA

query
sites
3qbeA

P

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active site: R117 (= R282), K139 (= K304), E181 (= E346), K223 (= K388), R233 (= R402), N237 (= N406), H240 (= H409), H244 (= H413), H256 (= H425)
binding zinc ion: E181 (= E346), H240 (= H409), H256 (= H425)

3qbdA 3-dehydroquinate synthase (arob) from mycobacterium tuberculosis in complex with NAD
53% identity, 66% coverage: 178:519/519 of query aligns to 12:344/344 of 3qbdA

query
sites
3qbdA

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active site: R117 (= R282), K139 (= K304), E181 (= E346), K223 (= K388), R232 (≠ T397), N236 (= N406), H239 (= H409), H243 (= H413), H255 (= H425)
binding nicotinamide-adenine-dinucleotide: Q40 (≠ S206), D68 (= D233), A69 (= A234), E70 (= E235), K73 (= K238), G101 (= G266), G102 (= G267), A103 (= A268), D106 (= D271), T126 (= T291), T127 (≠ S292), L129 (= L294), A134 (= A299), T169 (= T334), L170 (= L335)

Q9KNV2 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
36% identity, 65% coverage: 177:513/519 of query aligns to 11:354/361 of Q9KNV2

query
sites
Q9KNV2

R

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N41 (≠ S206) binding NAD(+)
DGEQYK 70:75 (≠ DAEAGK 233:238) binding NAD(+)
GVIGD 104:108 (≠ GAVSD 267:271) binding NAD(+)
TT 128:129 (≠ TS 291:292) binding NAD(+)
K141 (= K304) binding NAD(+)
KN 150:151 (= KN 313:314) binding NAD(+)
CLTT 168:171 (≠ MLRT 331:334) binding NAD(+)

3okfA 2.5 angstrom resolution crystal structure of 3-dehydroquinate synthase (arob) from vibrio cholerae
36% identity, 65% coverage: 177:513/519 of query aligns to 12:353/360 of 3okfA

query
sites
3okfA

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active site: R120 (= R282), K142 (= K304), E184 (= E346), K226 (= K388), R238 (= R402), N242 (= N406), H245 (= H409), H249 (= H413), H262 (= H425)
binding nicotinamide-adenine-dinucleotide: N42 (≠ S206), L48 (≠ Q212), D71 (= D233), E73 (= E235), K76 (= K238), G104 (= G266), G105 (= G267), V106 (≠ A268), D109 (= D271), T129 (= T291), T130 (≠ S292), L132 (= L294), D136 (= D298), T172 (= T334), L173 (= L335), E177 (= E339)

U3KRF2 3-dehydroquinate synthase, chloroplastic; EC 4.2.3.4 from Actinidia chinensis var. chinensis (Chinese soft-hair kiwi) (see paper)
36% identity, 62% coverage: 170:493/519 of query aligns to 84:417/445 of U3KRF2

query
sites
U3KRF2

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N122 (≠ S206) binding NAD(+)
DGE 153:155 (≠ DAE 233:235) binding NAD(+)
K158 (= K238) binding NAD(+)
GGVIGD 186:191 (≠ GGAVSD 266:271) binding NAD(+)
TT 211:212 (≠ TS 291:292) binding NAD(+)
K224 (= K304) binding NAD(+)
K233 (= K313) binding NAD(+)
TLNT 251:254 (≠ MLRT 331:334) binding NAD(+)
K308 (= K388) binding NAD(+)

5eksA Structure of 3-dehydroquinate synthase from acinetobacter baumannii in complex with NAD
37% identity, 61% coverage: 199:513/519 of query aligns to 35:348/355 of 5eksA

query
sites
5eksA

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active site: R120 (= R282), K142 (= K304), E184 (= E346), K226 (= K388), R237 (= R402), N241 (= N406), H244 (= H409), H248 (= H413), H261 (= H425)
binding magnesium ion: E184 (= E346), H244 (= H409), H261 (= H425)
binding nicotinamide-adenine-dinucleotide: N42 (≠ S206), V45 (= V209), D71 (= D233), E73 (= E235), K76 (= K238), G104 (= G266), G105 (= G267), V106 (≠ A268), D109 (= D271), T129 (= T291), T130 (≠ S292), D136 (= D298), S137 (≠ A299), K142 (= K304), T172 (= T334), L173 (= L335), E177 (= E339)

P56081 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori) (see paper)
36% identity, 53% coverage: 231:506/519 of query aligns to 59:331/343 of P56081

query
sites
P56081

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S

A

V

L

G

G

G
|
G

A
x
V

V

I

S

S

D

D

V

M

A

V

G

G

F

F

V

A

A

S

T

I

W

Y

L

F

R

R

G

G

V

I

D

D

V

F

V

I

H

N

L

I

P

P

T
|
T

S
x
T

L

L

G

A

A

Q

V

V

D

D

A

A

A

S

V

V

G

G

K

K

T

T

G

G

I

I

N

N

T

T

A

P

A

Y

G

G

K

K

N
|
N

L

L

V

I

G

G

A

S

F

F

H

H

P

Q

P

P

K

K

A

A

V

V

L

Y

C

M

D

D

T

L

R

A

M
x
F

L
|
L

R
x
K

T
|
T

L

L

P

E

R

K

E

R

E

E

M

F

S

Q

N

A

G

G

L

V

A

A

E

E

I

I

K

K

A

M

G

A

F

V

I

C

C

F

D

D

T

K

T

N

I

L

L

V

D

E

L

R

I

L

E

E

-

T

H

K

D

D

P

L

A

K

G

D

A

C

L

L

D

E

P

-

N

-

G

-

S

-

L

-

V

-

P

-

E

E

L

V

M

I

R

F

R

Q

A

S

I

V

A

N

V

I

K

K

A

A

D

Q

I

V

V

V

G

V

E

Q

D

D

L

E

T

K

E

E

Q

Q

G

N

K

I

R

R

V

A

W

G

L

L

N

N

F

Y

G

G

H

H

T

T

L

F

A

G

H

H

A

A

I

I

E

E

K

K

Q

E

E

T

R

D

Y

Y

-

E

R

R

L

F

R

L

H

H

G

G

F

E

A

A

V

I

A

A

I

I

G

G

M

M

V

R

Y

M

A

A

A

N

E

D

-

L

-

A

-

L

-

S

L

L

G

G

A

M

L

L

T

T

E

-

R

-

V

L

N

K

V

E

T

Y

R

E

R

R

L

I

R

E

R

N

I

L

L

L

E

K

S

K

V

F

G

D

L

L

P

I

T

F

S

H

Y

Y

S

K

G

I

S

L

D

D

W

L

D

Q

S

K

L

F

R

Y

H

E

A

R

M

L

V

F

V

L

D

D

K

K

N

S

R

E

G

N

S

K

T

T

Q

I

R

K

F

F

V

I

L

L

L

P

D

K

D

G

I

V

A

G

Q

A

P

F

A

E

A

V

V

A

S

S

D

H

V

I

P

P

SGEKYK 61:66 (≠ DAEAGK 233:238) binding NAD(+)
GV 95:96 (≠ GA 267:268) binding NAD(+)
TT 119:120 (≠ TS 291:292) binding NAD(+)
N142 (= N314) binding NAD(+)
FLKT 159:162 (≠ MLRT 331:334) binding NAD(+)

Q5NFS1 3-dehydroquinate synthase; DHQS; EC 4.2.3.4 from Francisella tularensis subsp. tularensis (strain SCHU S4 / Schu 4)
33% identity, 61% coverage: 182:496/519 of query aligns to 10:338/359 of Q5NFS1

query
sites
Q5NFS1

T

T

I

F

G

S

P

P

G

S

T

Y

A

N

T

I

L

I

V

V

D

D

E

S

V

V

L

L

P

D

D

F

A

S

E

H

K

I

I

L

A

E

F

Y

I

V

Y

T

S

N

P

K

T

Q

V

V

-

L

-

V

-

T

-
x
N

-

T

-

V

-

A

E

K

P

L

Q

Y

V

L

R

T

D

K

I

F

L

L

A

A

L

L

P

V

Q

D

G

D

R

L

R

D

I

V

V

R

T

T

L

C

E

I

I

L

P

E

D
|
D

A
x
G

E
|
E

A
x
Q

G
x
Y

K
|
K

E

S

L

Q

D

Q

V

S

V

L

G

D

Q

K

C

I

W

L

E

S

A

T

L

L

G

L

E

E

E

N

G

H

F

F

T

T

R

R

T

N

D

S

A

T

V

V

-

L

V

V

S

A

V

L

G

G

G
|
G

A
x
V

V
x
I

S
x
G

D
|
D

V

I

A

T

G

G

F

F

V

A

A

A

T

I

W

Y

L

Q

R

R

G

G

V

I

D

D

V

F

V

I

H

Q

L

I

P

P

T
|
T

S
x
T

L

L

G

S

A

Q

V

V

D

D

A

S

V

V

G

G

K
|
K

T

T

G

A

I

I

N

N

T

H

A

Q

A

L

G

G

K

K

N

N

L

M

V

I

G

G

A

A

F

F

H

Y

P

Q

P

P

K

K

A

V

V

V

L

Y

C

T

D

S

T

I

R

E

M
x
F

L
x
Y

R
x
K

T
|
T

L

L

P

P

R

Q

E

R

E

E

M

Y

S

I

N

A

G

G

L

M

A

A

E

E

I

V

K

K

A

Y

G

A

F

F

I

I

C

S

D

K

T

D

T

F

I

Y

L

L

D

-

L

W

I

L

E

D

H

S

D

N

P

R

A

D

G

K

A

I

L

L

D

A

P

K

N

D

G

S

S

V

L

T

V

L

P

I

E

E

L

M

M

V

R

K

R

R

A

S

I

C

A

Q

V

I

K

K

A

A

D

Q

I

V

V

V

G

A

E

M

D

D

L

E

T

K

E

E

-

L

Q

T

G

G

K

A

R

R

V

A

W

I

L

L

N

N

F

F

G

G

H

H

T

T

L

F

A

G

H

H

A

A

I

I

E

E

K

K

Q

C

E

Q

R

N

Y

Y

R

R

-

G

L

L

R

K

H

H

G

G

F

E

A

A

V

V

A

G

I

V

G

G

M

M

V

A

-

Q

-

A

-

I

-

D

Y

F

A

S

A

H

E

Y

L

L

G

G

A

L

L

I

T

S

E

Q

R

Q

V

-

N

-

V

Q

T

A

R

K

R

D

L

F

R

N

R

D

I

F

L

I

E

V

S

S

V

F

G

G

L

I

P

S

T

I

S

D

Y

F

S

P

G

N

S

D

D

I

W

C

D

Q

S

K

-

E

L

F

R

L

H

E

A

A

M

M

V

L

D

D

K

K

N

N

R

S

G

N

S

K

T

E

Q

L

R

K

F

F

V

I

L

L

L

I

D

E

D

N

I

I

N42 (vs. gap) binding NAD(+)
DGEQYK 70:75 (≠ DAEAGK 233:238) binding NAD(+)
GVIGD 105:109 (≠ GAVSD 267:271) binding NAD(+)
TT 129:130 (≠ TS 291:292) binding NAD(+)
K142 (= K304) binding NAD(+)
FYKT 169:172 (≠ MLRT 331:334) binding NAD(+)

3zokA Structure of 3-dehydroquinate synthase from actinidia chinensis in complex with NAD (see paper)
35% identity, 63% coverage: 168:493/519 of query aligns to 2:337/365 of 3zokA

query
sites
3zokA

S

T

A

I

V

V

E

D

V

V

P

D

D

L

A

G

A

D

R

R

P

S

Y

Y

S

P

V

I

T

Y

I

I

G

G

P

S

G

G

T

-

A

-

T

-

L

L

V

L

D

D

E

Q

V

-

L

-

P

P

D

D

-

L

-

Q

-

R

-

H

-

V

-

H

A

G

E

K

K

R

I

V

A

L

F

V

I

V

Y

T

S

N

P

S

T
|
T

V
|
V

E

A

P

P

Q

I

V

Y

R

L

D

D

-

K

I

V

L

V

A

G

A

A

L

L

P

T

Q

N

G

E

R

N

R

P

I

N

V

V

T

S

L

V

E

E

-

S

-

V

-

I

I

L

P

P

D
|
D

A

G

E
|
E

A

K

G

Y

K
|
K

E

N

L

M

D

D

V

T

V

L

G

M

Q

K

C

V

W

F

E

D

A

K

L

A

G

I

E

E

E

S

G

R

F

L

T

D

R

R

T

R

D

C

A

T

V

F

V

V

S

A

V

L

G

G

G
|
G

A
x
V

V

I

S

G

D
|
D

V

M

A

C

G

G

F

Y

V

A

A

A

T

S

W

F

L

L

R
|
R

G

G

V

V

D

N

V

F

V

I

H

Q

L

I

P

P

T
|
T

S
x
T

L

V

L
x
M

G

A

A

Q

V

V

D
|
D

A
x
S

A

S

V

V

G

G

K
|
K

T

T

G

G

I

I

N

N

T

H

A

R

A

L

G

G

K
|
K

N

N

L

L

V

I

G

G

A

A

F

F

H

Y

P

Q

P

P

K

Q

A

C

V

V

L

L

C

I

D

D

T

T

R

D

M

T

L

L

R

N

T
|
T

L
|
L

P

P

R

D

E

R

E
|
E

M

L

S

A

N

S

G

G

L

L

A

A

E
|
E

I

V

K

K

A

Y

G

G

F

L

I

I

C

R

D

D

T

A

T

N

I

F

L

F

D

E

L

W

I

Q

E

E

H

K

D

N

P

M

A

P

G

A

A

L

L

M

D

A

P

R

N

D

G

P

S

S

L

A

V

L

P

A

E

Y

L

A

M

I

R

K

R

R

A

S

I

C

A

E

V

N

K
|
K

A

A

D

E

I

V

V

V

G

S

E

L

D

D

L

E

T

K

E
|
E

Q

S

G

G

K

L

R
|
R

V

A

W

T

L

L

N
|
N

F

L

G

G

H
|
H

T

T

L

F

A

G

H
|
H

A

A

I

I

E

E

K

T

Q

G

E

F

R

G

Y

Y

-

G

R

Q

L

W

R

L

H
|
H

G

G

F

E

A

A

V

V

A

A

I

A

G

G

M

M

V

V

Y

M

A

A

A

V

E

D

-

M

-

S

-

Y

-

R

L

L

G

G

A

W

L

I

T

D

E

E

R

-

V

-

N

S

V

I

T

V

R

N

R

R

L

A

R

H

R

N

I

I

L

L

E

Q

S

Q

V

A

G

K

L

L

P

P

T

T

S

A

Y

P

S

P

G

E

S

T

-

M

D

T

W

V

D

E

S

M

L

F

R

K

H

S

A

V

M

M

V

A

V

V

D

D

K

K

N

V

R

A

G

D

S

G

T

L

Q

L

R

R

F

L

V

I

L

L

active site: R122 (= R282), K144 (= K304), E186 (= E346), K228 (= K388), E238 (= E398), R242 (= R402), N246 (= N406), H249 (= H409), H253 (= H413), H266 (= H425)
binding glycine: K144 (= K304), K228 (= K388), R242 (= R402)
binding nicotinamide-adenine-dinucleotide: T44 (= T208), V45 (= V209), D73 (= D233), E75 (= E235), K78 (= K238), G106 (= G266), G107 (= G267), V108 (≠ A268), D111 (= D271), T131 (= T291), T132 (≠ S292), M134 (≠ L294), D138 (= D298), S139 (≠ A299), K144 (= K304), K153 (= K313), T174 (= T334), L175 (= L335), E179 (= E339), H266 (= H425)

6hqvA Pentafunctional arom complex from chaetomium thermophilum (see paper)
37% identity, 57% coverage: 204:498/519 of query aligns to 45:366/1555 of 6hqvA

query
sites
6hqvA

I
x
L

Y

Y

S

T

P

T

T

Y

V

V

E

P

P

P

Q

F

V

Q

R

A

D

V

I

F

L

E

A

A

L

A

P

P

Q

R

G

D

R

V

R

R

I

L

V

L

T

T

L

Y

E

A

I

I

P

P

D

P

A

G

E
|
E

A

Y

G

S

K
|
K

E

S

L

R

D

E

V

T

V

K

G

A

Q

E

C

I

W

E

E

D

A

W

L

M

G

L

E

S

E

H

G

A

F

C

T

T

R

R

T

D

D

T

A

V

V

I

S

A

V

L

G

G

G
|
G

A
x
V

V

I

S

G

D
|
D

V

M

A

I

G

G

F

Y

V

V

A

A

T

T

W

F

L

M

R
|
R

G

G

V

V

D

R

V

F

V

V

H

Q

L

V

P

P

T
|
T

S
x
T

L

L

L
|
L

G

A

A

M

V

V

D
|
D

A
x
S

A

S

V

I

G

G

K
|
K

T

T

G

A

I

I

N

D

T

T

A

P

A

M

G

G

K
|
K

N

N

L

L

V

I

G

G

A

A

F

F

H

W

P

Q

P

P

K

R

A

R

V

I

L

Y

C

I

D

D

T

L

R

A

M

F

L

L

R

E

T
|
T

L
|
L

P
|
P

R

V

E

R

E
|
E

M

F

S

I

N

N

G

G

L

M

A

A

E
|
E

I

V

I

I

K

K

A

T

G

A

F

A

I

I

C

W

D

N

T

E

T

T

I

E

L

F

D

T

L

A

I

L

E

E

H

E

D

N

P

A

A

A

G

A

A

I

L

L

D

E

-

A

-

V

-

R

-

S

-

K

-

A

-

S

P

P

N

A

G

A

S

R

L

L

V

A

P

P

-

I

-

R

E

H

L

I

M

L

R

K

R

R

A

I

I

V

A

L

-

G

-

S

-

A

-

R

V

V

K
|
K

A

A

D

E

I

V

V

V

G

S

E

A

D

D

L

E

T

R

E
|
E

Q

G

G

G

K

L

R
|
R

V

N

W

L

L

L

N
|
N

F

F

G

G

H
|
H

T

S

L

I

A

G

H
|
H

A

A

I

Y

E

E

K

A

Q

I

E

L

R

A

Y

P

R

Q

L

V

R

L

H
|
H

G

G

F

E

A

C

V

V

A

A

I

I

G

G

M

M

V

V

Y

K

A

E

A

A

E

E

-

L

-

A

-

R

-

Y

L

L

G

G

A

V

L

L

T

-

E

-

R

R

V

P

N

S

V

A

T

V

R

A

R

R

L

L

R

T

R

K

I

L

L

I

E

A

S

S

V

Y

G

D

L

L

P

P

T

T

S

S

Y

V

-

H

-

D

-

K

-

R

-

I

-

A

-

K

-

L

-

S

S

A

G

G

S

K

D

E

W

C

-

P

-

V

D

D

S

V

L

L

R

L

H

Q

A

K

M

M

V

A

V

V

D

D

K

K

N

N

R

E

G

G

S

R

T

K

Q

K

R

K

F

I

V

V

L

L

D

S

D

A

I

I

A

G

Q

K

active site: R123 (= R282), K145 (= K304), E187 (= E346), K243 (= K388), E253 (= E398), R257 (= R402), N261 (= N406), H264 (= H409), H268 (= H413), H280 (= H425)
binding glutamic acid: D139 (= D298), K145 (= K304), E187 (= E346), K243 (= K388), R257 (= R402), H264 (= H409), H280 (= H425)
binding nicotinamide-adenine-dinucleotide: L45 (≠ I204), E76 (= E235), K79 (= K238), G107 (= G266), G108 (= G267), V109 (≠ A268), D112 (= D271), T132 (= T291), T133 (≠ S292), L135 (= L294), D139 (= D298), S140 (≠ A299), K145 (= K304), K154 (= K313), T175 (= T334), L176 (= L335), P177 (= P336), E180 (= E339), H280 (= H425)
binding zinc ion: E187 (= E346), H264 (= H409), H280 (= H425)

Sites not aligning to the query:

5hvnA 3.0 angstrom crystal structure of 3-dehydroquinate synthase (arob) from francisella tularensis in complex with NAD.
32% identity, 61% coverage: 182:496/519 of query aligns to 13:333/354 of 5hvnA

query
sites
5hvnA

T

T

I

F

G

S

P

P

G

S

T

Y

A

N

T

I

L

I

V

V

D

D

E

S

V

V

L

L

P

D

D

F

A

S

E

H

K

I

I

L

A

E

F

Y

I

V

Y

T

S

N

P

K

T

Q

V

V

-

L

-

V

-

T

-
x
N

-

T

-

V

-

A

E

K

P
x
L

Q

Y

V

L

R

T

D

K

I

F

L

L

A

A

L

L

P

V

Q

D

G

D

R

L

R

D

I

V

V

R

T

T

L

C

E

I

I

L

P

E

D
|
D

A

G

E
|
E

A

Q

G

Y

K
|
K

E

S

L

Q

D

Q

V

S

V

L

G

D

Q

K

C

I

W

L

E

S

A

T

L

L

G

L

E

E

E

N

G

H

F

F

T

T

R

R

T

N

D

S

A

T

V

V

-

L

V

V

S

A

V

L

G

G

G
|
G

A
x
V

V

I

S

G

D
|
D

V

I

A

T

G

G

F

F

V

A

A

A

T

I

W

Y

L

Q

R
|
R

G

G

V

I

D

D

V

F

V

I

H

Q

L

I

P

P

T
|
T

S
x
T

L

L

L
|
L

G

S

A

Q

V

V

D
|
D

A

S

V

V

G

G

K
|
K

T

T

G

A

I

I

N

N

T

H

A

Q

A

L

G

G

K

K

N

N

L

M

V

I

G

G

A

A

F

F

H

Y

P

Q

P

P

K

K

A

V

V

V

L

Y

C

T

D

S

T

I

R

E

M
x
F

L

Y

R

K

T
|
T

L
|
L

P

P

R

Q

E

R

E
|
E

M

Y

S

I

N

A

G

G

L

M

A

A

E
|
E

I

V

K

K

A

Y

G

A

F

F

I

I

C

S

D

K

T

D

T

F

I

Y

L

L

D

-

L

W

I

L

E

D

H

S

D

N

P

R

A

D

G

K

A

I

L

L

D

A

P

K

N

D

G

S

S

V

L

T

V

L

P

I

E

E

L

M

M

V

R

K

R

R

A

S

I

C

A

Q

V

I

K
|
K

A

A

D

Q

I

V

V

V

G

A

E

M

D

D

L

-

T

-

E

-

Q

T

G

G

K

A

R
|
R

V

A

W

I

L

L

N
|
N

F

F

G

G

H
|
H

T

T

L

F

A

G

H
|
H

A

A

I

I

E

E

K

K

Q

C

E

Q

R

N

Y

Y

R

R

-

G

L

L

R

K

H
|
H

G

G

F

E

A

A

V

V

A

G

I

V

G

G

M

M

V

A

-

Q

-

A

-

I

-

D

Y

F

A

S

A

H

E

Y

L

L

G

G

A

L

L

I

T

S

E

Q

R

Q

V

-

N

-

V

Q

T

A

R

K

R

D

L

F

R

N

R

D

I

F

L

I

E

V

S

S

V

F

G

G

L

I

P

S

T

I

S

D

Y

F

S

P

G

N

S

D

D

I

W

C

D

Q

S

K

-

E

L

F

R

L

H

E

A

A

M

M

V

L

D

D

K

N

K

K

N

E

R

L

G

-

S

-

T

-

Q

-

R

K

F

F

V

I

L

L

L

I

D

E

D

N

I

I

active site: R123 (= R282), K145 (= K304), E187 (= E346), K228 (= K388), R239 (= R402), N243 (= N406), H246 (= H409), H250 (= H413), H263 (= H425)
binding nicotinamide-adenine-dinucleotide: N45 (vs. gap), L51 (≠ P211), D73 (= D233), E75 (= E235), K78 (= K238), G107 (= G266), G108 (= G267), V109 (≠ A268), D112 (= D271), T132 (= T291), T133 (≠ S292), L135 (= L294), D139 (= D298), K145 (= K304), F172 (≠ M331), T175 (= T334), L176 (= L335), E180 (= E339)

6c5cA Crystal structure of the 3-dehydroquinate synthase (dhqs) domain of aro1 from candida albicans sc5314 in complex with nadh (see paper)
35% identity, 60% coverage: 206:514/519 of query aligns to 51:382/385 of 6c5cA

query
sites
6c5cA

S

T

P

P

T

Q

V

Y

E

S

P

K

Q

L

V

T

R

D

D

D

I

F

L

K

A

T

A

N

L

L

P

S

Q

E

G

K

R

R

-

P

-

E

-

S

R

R

I

L

V

L

T

T

L

Y

E

C

I

V

P

S

D

P

A

G

E
|
E

A

N

G

N

K
|
K

E

N

L

R

D

A

V

T

V

K

G

A

Q

A

C

V

W

E

E

D

A

F

L

L

G

L

E

Q

G

G

F

C

T

T

R

R

T

D

D

T

A

V

V

I

V

L

S

A

V

V

G

G

G
|
G

A
x
V

V

I

S

G

D
|
D

V

M

A

I

G

G

F

F

V

V

A

A

T

T

W

F

L

M

R
|
R

G

G

V

V

D

R

V

V

H

Q

L

V

P

P

T
|
T

S
x
T

L

L

G

A

A

M

V

V

D
|
D

A
x
S

A

S

V

V

G

G

K
|
K

T

T

G

A

I

I

N

D

T

T

A

P

A

L

G

G

K

K

N

N

L

F

V

I

G

G

A

A

F

F

H

H

P

Q

P

P

K

E

A

Y

V

V

L

F

C

C

D

D

T

V

R

S

M
x
F

L

L

R

E

T
|
T

L
|
L

P

P

R

A

E

R

E
x
Q

M

F

S

I

N

N

G

G

L

M

A

A

E
|
E

I

V

K

K

A

T

G

A

F

A

I

I

C

W

D

N

T

E

I

E

L

F

D

T

L

R

I

L

E

E

H

N

D

F

P

S

A

K

G

K

A

F

L

L

D

S

P

V

N

V

G

T

S

S

L

K

V

K

P

P

E

D

L

L

M

Q

R

S

-

I

-

K

-

A

-

E

-

L

-

V

-

K

-

T

-

V

-

L

R

E

A

S

I

V

A

R

V

V

K
|
K

A

A

D

G

I

V

V

V

G

S

E

S

D

D

L

-

T

-

E
|
E

Q

A

G

G

K

L

R
|
R

V

N

W

L

L

L

N
|
N

F

F

G

G

H
|
H

T

T

L

I

A

G

H
|
H

A

A

I

I

E

E

K

A

Q

V

E

L

R

T

Y

P

R

E