SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012101388.1 NCBI__GCF_000016505.1:WP_012101388.1 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)

3tnlA 1.45 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with shikimate and NAD.
54% identity, 98% coverage: 5:288/289 of query aligns to 6:288/288 of 3tnlA

query
sites
3tnlA

I

I

S

T

G

G

K

H

T

T

G

E

L

L

L

I

G

G

L

L

I

I

G

A

D

T

P

P

V

I

D

R

H

H

S
|
S

K

L

S
|
S

P

P

V

T

M

M

Y

H

N

N

Y

E

G

A

F

F

E

A

K

K

L

L

N

G

L

L

D

D

Y

Y

V

V

Y

Y

L

L

A

A

F

F

Q

E

V

V

P

G

L

D

E

K

K

E

V

L

P

K

D

D

A

V

I

V

T

Q

A

G

I

F

K

R

T

A

F

M

K

N

M

L

K

R

G

G

S

W

N
|
N

V

V

T
x
S

M
|
M

P

P

C

N

K
|
K

S

T

E

N

V

I

V

H

K

K

Y

Y

M

L

D

D

E

K

L

L

S

S

P

P

A

A

R

E

I

L

I

V

G

G

A

A

V

V

N
|
N

T

T

I

V

V

V

N

N

D

D

N

D

G

G

K

V

L

L

T

T

G

G

H

H

I

I

T

T

D
|
D

G

G

V

T

G

G

F

Y

V

M

R

R

S

A

L

L

K

K

E

E

E

A

G

G

V

H

E

D

V

I

K

I

G

G

K

K

I

M

T

T

I

I

M

C

G
|
G

S
x
A

G
|
G

A
|
A

A

A

T

T

A

A

I

I

Q

C

V

I

Q

Q

C

A

A

A

L

L

D

D

G

G

S

V

K

K

E

E

I

I

S

S

I

I

F

F

N
|
N

I
x
R

K

K

D
|
D

N

D

F
|
F

Y

Y

E

A

R

N

A

A

Q

E

K

K

N

T

V

V

E

E

T

K

I

I

K

N

K

S

E

K

V

T

P

-

D

D

C

C

T

K

V

A

N

Q

L

L

Y

F

D

D

L

I

N

E

D

D

T

H

E

E

K

Q

L

L

N

R

E

K

E

E

V

I

A

A

S

E

S

S

D

V

I

I

L

F

I

T

N

N

A

A

T
|
T

L

G

V
|
V

G

G

M
|
M

H

K

P

P

N
x
F

E

E

D

G

E

E

S

T

N

L

I

L

K

P

D

S

T

A

S

D

I

M

F

L

R

R

K

P

E

E

L

L

V

I

V

V

A

S

D

D

T
x
V

V

V

Y
|
Y

H

K

P

P

K

T

K

K

T

T

K

R

F

L

L

L

K

E

G

I

A

A

E

E

A

E

A

Q

G

G

C

C

K

Q

I

T

V

L

G

N

G

G

L

L

G

G

M
|
M

L
x
M

L

L

W

W

Q
|
Q

G

G

A

A

E

K

A

A

F

F

K

E

L

I

Y

W

T

T

G

H

L

K

E

E

M

M

P

P

V

V

D

D

E

Y

I

I

K

K

E

E

L

I

Y

L

F

F

binding nicotinamide-adenine-dinucleotide: M71 (= M70), G134 (= G133), A135 (≠ S134), G136 (= G135), G137 (= G136), A138 (= A137), N158 (= N157), R159 (≠ I158), D161 (= D160), F163 (= F162), T207 (= T207), V209 (= V209), M211 (= M211), F214 (≠ N214), V235 (≠ T235), Y237 (= Y237), M261 (= M261), M262 (≠ L262)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S23 (= S22), S25 (= S24), N68 (= N67), S70 (≠ T69), K74 (= K73), N95 (= N94), D110 (= D109), Q265 (= Q265)

3tozA 2.2 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with NAD.
54% identity, 98% coverage: 5:288/289 of query aligns to 9:291/291 of 3tozA

query
sites
3tozA

I

I

S

T

G

G

K

H

T

T

G

E

L

L

L

I

G

G

L

L

I

I

G

A

D

T

P

P

V

I

D

R

H

H

S

S

K

L

S

S

P

P

V

T

M

M

Y

H

N

N

Y

E

G

A

F

F

E

A

K

K

L

L

N

G

L

L

D

D

Y

Y

V

V

Y

Y

L

L

A

A

F

F

Q

E

V

V

P

G

L

D

E

K

K

E

V

L

P

K

D

D

A

V

I

V

T

Q

A

G

I

F

K

R

T

A

F

M

K

N

M

L

K

R

G

G

S

W

N

N

V

V

T

S

M

M

P

P

C

N

K

K

S

T

E

N

V

I

V

H

K

K

Y

Y

M

L

D

D

E

K

L

L

S

S

P

P

A

A

R

E

I

L

I

V

G

G

A

A

V

V

N

N

T

T

I

V

V

V

N

N

D

D

N

D

G

G

K

V

L

L

T

T

G

G

H

H

I

I

T

T

D

D

G

G

V

T

G

G

F

Y

V

M

R

R

S

A

L

L

K

K

E

E

E

A

G

G

V

H

E

D

V

I

K

I

G

G

K

K

I

M

T

T

I

I

M

C

G
|
G

S
x
A

G
|
G

A
|
A

A

A

T

T

A

A

I

I

Q

C

V

I

Q

Q

C

A

A

A

L

L

D

D

G

G

S

V

K

K

E

E

I

I

S

S

I

I

F

F

N
|
N

I
x
R

K

K

D
|
D

N

D

F
|
F

Y

Y

E

A

R

N

A

A

Q

E

K

K

N

T

V

V

E

E

T

K

I

I

K

N

K

S

E

K

V

T

P

-

D

D

C

C

T

K

V

A

N

Q

L

L

Y

F

D

D

L

I

N

E

D

D

T

H

E

E

K

Q

L

L

N

R

E

K

E

E

V

I

A

A

S

E

S

S

D

V

I

I

L

F

I

T

N

N

A

A

T
|
T

L
x
G

V
|
V

G

G

M
|
M

H

K

P

P

N
x
F

E

E

D

G

E

E

S

T

N

L

I

L

K

P

D

S

T

A

S

D

I

M

F

L

R

R

K

P

E

E

L

L

V

I

V

V

A

S

D

D

T
x
V

V

V

Y
|
Y

H

K

P

P

K

T

K

K

T

T

K

R

F

L

L

L

K

E

G

I

A

A

E

E

A

E

A

Q

G

G

C

C

K

Q

I

T

V

L

G

N

G
|
G

L

L

G

G

M
|
M

L
x
M

L

L

W

W

Q

Q

G

G

A

A

E

K

A

A

F

F

K

E

L

I

Y

W

T

T

G

H

L

K

E

E

M

M

P

P

V

V

D

D

E

Y

I

I

K

K

E

E

L

I

Y

L

F

F

binding nicotinamide-adenine-dinucleotide: G137 (= G133), A138 (≠ S134), G139 (= G135), G140 (= G136), A141 (= A137), N161 (= N157), R162 (≠ I158), D164 (= D160), F166 (= F162), T210 (= T207), G211 (≠ L208), V212 (= V209), M214 (= M211), F217 (≠ N214), V238 (≠ T235), Y240 (= Y237), G261 (= G258), M264 (= M261), M265 (≠ L262)

Q8Y9N5 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)
54% identity, 98% coverage: 5:288/289 of query aligns to 9:291/291 of Q8Y9N5

query
sites
Q8Y9N5

I

I

S

T

G

G

K

H

T

T

G

E

L

L

L

I

G

G

L

L

I

I

G

A

D

T

P

P

V

I

D

R

H

H

S
|
S

K
x
L

S
|
S

P

P

V

T

M

M

Y

H

N

N

Y

E

G

A

F

F

E

A

K

K

L

L

N

G

L

L

D

D

Y

Y

V

V

Y

Y

L

L

A

A

F

F

Q

E

V

V

P

G

L

D

E

K

K

E

V

L

P

K

D

D

A

V

I

V

T

Q

A

G

I

F

K

R

T

A

F

M

K

N

M

L

K

R

G

G

S

W

N

N

V

V

T

S

M

M

P

P

C

N

K

K

S

T

E

N

V

I

V

H

K

K

Y

Y

M

L

D

D

E

K

L

L

S

S

P

P

A

A

R

E

I

L

I

V

G

G

A

A

V

V

N

N

T

T

I

V

V

V

N

N

D

D

N

D

G

G

K

V

L

L

T

T

G

G

H

H

I

I

T

T

D

D

G

G

V

T

G

G

F

Y

V

M

R

R

S

A

L

L

K

K

E

E

E

A

G

G

V

H

E

D

V

I

K

I

G

G

K

K

I

M

T

T

I

I

M

C

G

G

S

A

G

G

A

A

T

T

A

A

I

I

Q

C

V

I

Q

Q

C

A

A

A

L

L

D

D

G

G

S

V

K

K

E

E

I

I

S

S

I

I

F

F

N
|
N

I
x
R

K
|
K

D
|
D

N

D

F

F

Y

Y

E

A

R

N

A

A

Q

E

K

K

N

T

V

V

E

E

T

K

I

I

K

N

K

S

E

K

V

T

P

-

D

D

C

C

T

K

V

A

N

Q

L

L

Y

F

D

D

L

I

N

E

D

D

T

H

E

E

K

Q

L

L

N

R

E

K

E

E

V

I

A

A

S

E

S

S

D

V

I

I

L

F

I

T

N

N

A

A

T

T

L

G

V

V

G

G

M
|
M

H

K

P

P

N

F

E

E

D

G

E

E

S

T

N

L

I

L

K

P

D

S

T

A

S

D

I

M

F

L

R

R

K

P

E

E

L

L

V

I

V

V

A

S

D

D

T

V

V

V

Y

Y

H

K

P

P

K

T

K

K

T

T

K

R

F

L

L

L

K

E

G

I

A

A

E

E

A

E

A

Q

G

G

C

C

K

Q

I

T

V

L

G

N

G

G

L

L

G

G

M

M

L

M

L

L

W

W

Q

Q

G

G

A

A

E

K

A

A

F

F

K

E

L

I

Y

W

T

T

G

H

L

K

E

E

M

M

P

P

V

V

D

D

E

Y

I

I

K

K

E

E

L

I

Y

L

F

F

SLS 26:28 (≠ SKS 22:24) binding shikimate
NRKD 161:164 (≠ NIKD 157:160) binding NAD(+)
M214 (= M211) binding NADP(+)

1npdB X-ray structure of shikimate dehydrogenase complexed with NAD+ from e.Coli (ydib) northeast structural genomics research consortium (nesg) target er24 (see paper)
46% identity, 98% coverage: 4:286/289 of query aligns to 2:283/288 of 1npdB

query
sites
1npdB

D

D

I

V

S

T

G

A

K

K

T

Y

G

E

L

L

L

I

G

G

L

L

I

M

G

A

D

Y

P

P

V

I

D

R

H

H

S

S

K

L

S

S

P

P

V

E

M

M

Y

Q

N

N

Y

K

G

A

F

L

E

E

K

K

L

A

N

G

L

L

D

P

Y

F

V

T

Y

Y

L

M

A

A

F

F

Q

E

V

V

P

D

L

N

E

D

K

S

V

F

P

P

D

G

A

A

I

I

T

E

A

G

I

L

K

K

T

A

F

L

K

K

M

M

K

R

G

G

S

T

N

G

V

V

T

S

M

M

P

P

C

N

K

K

S

Q

E

L

V

A

V

C

K

E

Y

Y

M

V

D

D

E

E

L

L

S

T

P

P

A

A

R

K

I

L

I

V

G

G

A

A

V

I

N

N

T

T

I

I

V

V

N

N

D

D

N

D

G

G

K

Y

L

L

T

R

G

G

H

Y

I

N

T

T

D

D

G

G

V

T

G

G

F

H

V

I

R

R

S

A

L

I

K

K

E

E

E

S

G

G

V

F

E

D

V

I

K

K

G

G

K

K

K

T

I

M

T

V

I

L

M

L

G

G

S
x
A

G
|
G

A
|
A

A

S

T

T

A

A

I

I

Q

G

V

A

Q

Q

C

G

A

A

L

I

D

E

G

G

S

L

K

K

E

E

I

I

S

K

I

L

F

F

N
|
N

I
x
R

K

R

D
|
D

N

E

F
|
F

Y

F

E

D

R

K

A

A

Q

L

K

A

N

F

V

A

E

Q

T

R

I

V

K

-

K

N

E

E

V

N

P

T

D

D

C

C

T

V

V

V

N

T

L

V

Y

T

D

D

L

L

N

A

D

D

T

Q

E

Q

K

A

L

F

N

A

E

E

E

A

V

L

A

A

S

S

S

A

D

D

I

I

L

L

I

T

N

N

A

G

T
|
T

L
x
K

V
|
V

G

G

M
|
M

H

K

P

P

N

L

E

E

D

N

E

E

S

S

N

L

I

V

K

N

D

D

T

I

S

S

I

L

F

L

R

H

K

P

E

G

L

L

V

L

V

V

A

T

D

E

T
x
C

V

V

Y

Y

H

N

P

P

K

H

K

M

T

T

K

K

F

L

L

L

K

Q

G

Q

A

A

E

Q

A

Q

A

A

G

G

C

C

K

K

I

T

V

I

G

D

G

G

L

Y

G

G

M
|
M

L
|
L

L

L

W

W

Q

Q

G

G

A

A

E

E

A

Q

F

F

K

T

L

L

Y

W

T

T

G

G

L

K

E

D

M

F

P

P

V

L

D

E

E

Y

I

V

K

K

E

Q

L

V

binding nicotinamide-adenine-dinucleotide: A132 (≠ S134), G133 (= G135), G134 (= G136), A135 (= A137), N155 (= N157), R156 (≠ I158), D158 (= D160), F160 (= F162), T204 (= T207), K205 (≠ L208), V206 (= V209), M208 (= M211), C232 (≠ T235), M258 (= M261), L259 (= L262)

P0A6D5 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Escherichia coli (strain K12) (see 4 papers)
46% identity, 98% coverage: 4:286/289 of query aligns to 2:283/288 of P0A6D5

query
sites
P0A6D5

D

D

I

V

S

T

G

A

K

K

T

Y

G

E

L

L

L

I

G

G

L

L

I

M

G

A

D

Y

P

P

V

I

D

R

H

H

S

S

K

L

S
|
S

P

P

V

E

M

M

Y

Q

N

N

Y

K

G

A

F

L

E

E

K

K

L

A

N

G

L

L

D

P

Y

F

V

T

Y
|
Y

L

M

A

A

F

F

Q

E

V

V

P

D

L

N

E

D

K

S

V

F

P

P

D

G

A

A

I

I

T

E

A

G

I

L

K

K

T

A

F

L

K

K

M

M

K

R

G

G

S

T

N

G

V

V

T
x
S

M

M

P

P

C

N

K
|
K

S

Q

E

L

V

A

V

C

K

E

Y

Y

M

V

D

D

E

E

L

L

S

T

P

P

A

A

R

K

I

L

I

V

G

G

A

A

V

I

N
|
N

T

T

I

I

V

V

N

N

D

D

N

D

G

G

K

Y

L

L

T

R

G

G

H

Y

I

N

T
|
T

D
|
D

G

G

V

T

G

G

F

H

V

I

R

R

S

A

L

I

K

K

E

E

E

S

G

G

V

F

E

D

V

I

K

K

G

G

K

K

K

T

I

M

T

V

I

L

M

L

G

G

S
x
A

G
|
G

A
|
A

A

S

T

T

A

A

I

I

Q

G

V

A

Q

Q

C

G

A

A

L

I

D

E

G

G

S

L

K

K

E

E

I

I

S

K

I

L

F

F

N
|
N

I
x
R

K
x
R

D
|
D

N

E

F

F

Y

F

E

D

R

K

A

A

Q

L

K

A

N

F

V

A

E

Q

T

R

I

V

K

-

K

N

E

E

V

N

P

T

D

D

C

C

T

V

V

V

N

T

L

V

Y

T

D

D

L

L

N

A

D

D

T

Q

E

Q

K

A

L

F

N

A

E

E

E

A

V

L

A

A

S

S

S

A

D

D

I

I

L

L

I

T

N

N

A

G

T

T

L
x
K

V

V

G

G

M

M

H

K

P

P

N

L

E

E

D

N

E

E

S

S

N

L

I

V

K

N

D

D

T

I

S

S

I

L

F

L

R

H

K

P

E

G

L

L

V

L

V

V

A

T

D

E

T
x
C

V
|
V

Y
|
Y

H
x
N

P

P

K

H

K

M

T

T

K

K

F

L

L

L

K

Q

G

Q

A

A

E

Q

A

Q

A

A

G

G

C

C

K

K

I

T

V

I

G

D

G
|
G

L

Y

G

G

M

M

L

L

W

W

Q
|
Q

G

G

A

A

E

E

A

Q

F

F

K

T

L

L

Y

W

T

T

G

G

L

K

E

D

M

F

P

P

V

L

D

E

E

Y

I

V

K

K

E

Q

L

V

S22 (= S24) mutation to A: Kinetically unchanged as compared with the wild-type.
Y39 (= Y41) mutation to F: Kinetically unchanged as compared with the wild-type.
S67 (≠ T69) mutation to A: Reduces activity towards quinate about 6-fold, but has a little effect on shikimate conversion.
K71 (= K73) mutation to A: 3200-fold decrease in the affinity for quinate. 170-fold decrease in the affinity for shikimate.; mutation to G: 10-fold greater reduction in catalytic efficiency is observed with quinate than with shikimate.
N92 (= N94) mutation to A: Alters protein structure. Loss of activity for both substrates.
T106 (= T108) mutation to A: 2000-fold decrease in the affinity for quinate. 70-fold decrease in the affinity for shikimate. 10-fold greater reduction in catalytic efficiency is observed with quinate than with shikimate.
D107 (= D109) mutation to A: Loss of activity towards quinate. 20000-fold decrease in the affinity for shikimate.
AGGA 132:135 (≠ SGGA 134:137) binding NAD(+)
NRRD 155:158 (≠ NIKD 157:160) binding NAD(+)
K205 (≠ L208) binding NAD(+)
CVYN 232:235 (≠ TVYH 235:238) binding NAD(+)
G255 (= G258) binding NAD(+)
Q262 (= Q265) mutation to A: 3-fold reduction in catalytic efficiency for both substrates.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

1o9bA Quinate/shikimate dehydrogenase ydib complexed with nadh (see paper)
46% identity, 96% coverage: 11:286/289 of query aligns to 3:277/280 of 1o9bA

query
sites
1o9bA

L

L

L

I

G

G

L

L

I

M

G

A

D

Y

P

P

V

I

D

R

H

H

S

S

K

L

S

S

P

P

V

E

M

M

Y

Q

N

N

Y

K

G

A

F

L

E

E

K

K

L

A

N

G

L

L

D

P

Y

F

V

T

Y

Y

L

M

A

A

F

F

Q

E

V

V

P

D

L

N

E

D

K

S

V

F

P

P

D

G

A

A

I

I

T

E

A

G

I

L

K

K

T

A

F

L

K

K

M

M

K

R

G

G

S

T

N

G

V

V

T

S

M

M

P

P

C

N

K

K

S

Q

E

L

V

A

V

C

K

E

Y

Y

M

V

D

D

E

E

L

L

S

T

P

P

A

A

R

K

I

L

I

V

G

G

A

A

V

I

N

N

T

T

I

I

V

V

N

N

D

D

N

D

G

G

K

Y

L

L

T

R

G

G

H

Y

I

N

T

T

D

D

G

G

V

T

G

G

F

H

V

I

R

R

S

A

L

I

K

K

E

E

E

S

G

G

V

F

E

D

V

I

K

K

G

G

K

K

K

T

I

M

T

V

I

L

M

L

G

G

S
x
A

G
|
G

A
|
A

A

S

T

T

A

A

I

I

Q

G

V

A

Q

Q

C

G

A

A

L

I

D

E

G

G

S

L

K

K

E

E

I

I

S

K

I

L

F

F

N

N

I
x
R

K

R

D

D

N

E

F
|
F

Y

F

E

D

R

K

A

A

Q

L

K

A

N

F

V

A

E

Q

T

R

I

V

K

-

K

N

E

E

V

N

P

T

D

D

C

C

T

V

V

V

N

T

L

V

Y

T

D

D

L

L

N

A

D

D

T

Q

E

Q

K

A

L

F

N

A

E

E

E

A

V

L

A

A

S

S

S

A

D

D

I

I

L

L

I

T

N

N

A

G

T

T

L
x
K

V
|
V

G

G

M
|
M

H

K

P

P

N

L

E

E

D

N

E

E

S

S

N

L

I

V

K

N

D

D

T

I

S

S

I

L

F

L

R

H

K

P

E

G

L

L

V

L

V

V

A

T

D

E

T
x
C

V

V

Y
|
Y

H

N

P

P

K

H

K

M

T

T

K

K

F

L

L

L

K

Q

G

Q

A

A

E

Q

A

Q

A

A

G

G

C

C

K

K

I

T

V

I

G

D

G

G

L

Y

G

G

M
|
M

L
|
L

L

L

W

W

Q

Q

G

G

A

A

E

E

A

Q

F

F

K

T

L

L

Y

W

T

T

G

G

L

K

E

D

M

F

P

P

V

L

D

E

E

Y

I

V

K

K

E

Q

L

V

binding 1,4-dihydronicotinamide adenine dinucleotide: A126 (≠ S134), G127 (= G135), G128 (= G136), A129 (= A137), R150 (≠ I158), F154 (= F162), K199 (≠ L208), V200 (= V209), M202 (= M211), C226 (≠ T235), Y228 (= Y237), M252 (= M261), L253 (= L262)

Q8ZPR4 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
48% identity, 98% coverage: 4:286/289 of query aligns to 2:283/288 of Q8ZPR4

query
sites
Q8ZPR4

D

D

I

V

S

T

G

A

K

K

T

Y

G

E

L

L

L

I

G

G

L

L

I

M

G

A

D

Y

P

P

V

I

D

R

H

H

S

S

K

L

S

S

P

P

V

E

M

M

Y

Q

N

N

Y

K

G

A

F

L

E

E

K

K

L

A

N

G

L

L

D

P

Y

Y

V

T

Y

Y

L

M

A

A

F

F

Q

E

V

V

P

D

L

N

E

T

K

T

V

F

P

A

D

S

A

A

I

I

T

E

A

G

I

L

K

K

T

A

F

L

K

K

M

M

K

R

G

G

S

T

N

G

V

V

T

S

M

M

P

P

C

N

K

K

S

Q

E

L

V

A

V

C

K

E

Y

Y

M

V

D

D

E

E

L

L

S

T

P

P

A

A

R

K

I

L

I

V

G

G

A

A

V

I

N

N

T

T

I

I

V

V

N

N

D

D

N

D

G

G

K

Y

L

L

T

R

G

G

H

Y

I

N

T

T

D

D

G

G

V

T

G

G

F

H

V

I

R

R

S

A

L

I

K

K

E

E

E

S

G

G

V

F

E

D

V

M

K

R

G

G

K

K

K

T

I

M

T

V

I

L

M

L

G

G

S
x
A

G
|
G

A
|
A

A

A

T

T

A

A

I

I

Q

G

V

A

Q

Q

C

A

A

A

L

I

D

E

G

G

S

I

K

K

E

E

I

I

S

K

I

L

F

F

N
|
N

I
x
R

K
|
K

D
|
D

N

D

F

F

Y

F

E

E

R

K

A

A

Q

V

K

A

N

F

V

A

E

K

T

R

I

V

K

-

K

N

E

E

V

N

P

T

D

D

C

C

T

V

V

V

N

T

L

V

Y

T

D

D

L

L

N

A

D

D

T

Q

E

H

K

A

L

F

N

T

E

E

E

A

V

L

A

A

S

S

S

A

D

D

I

I

L

L

I

T

N

N

A

G

T

T

L
x
K

V

V

G

G

M

M

H

K

P

P

N

L

E

E

D

N

E

E

S

S

N

L

I

I

K

G

D

D

T

V

S

S

I

L

F

L

R

R

K

P

E

E

L

L

V

L

V

V

A

T

D

E

T
x
C

V
|
V

Y
|
Y

H
x
N

P

P

K

H

K

M

T

T

K

K

F

L

L

L

K

Q

G

Q

A

A

E

Q

A

Q

A

A

G

G

C

C

K

K

I

T

V

I

G

D

G
|
G

L

Y

G

G

M

M

L

L

W

W

Q

Q

G

G

A

A

E

E

A

Q

F

F

K

E

L

L

Y

W

T

T

G

G

L

K

E

A

M

F

P

P

V

L

D

D

E

Y

I

V

K

K

E

Q

L

V

AGGA 132:135 (≠ SGGA 134:137) binding NAD(+)
NRKD 155:158 (≠ NIKD 157:160) binding NAD(+)
K205 (≠ L208) binding NAD(+)
CVYN 232:235 (≠ TVYH 235:238) binding NAD(+)
G255 (= G258) binding NAD(+)

Q58484 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Methanocaldococcus jannaschii (strain ATCC 43067 / DSM 2661 / JAL-1 / JCM 10045 / NBRC 100440) (Methanococcus jannaschii) (see paper)
41% identity, 97% coverage: 5:284/289 of query aligns to 2:273/282 of Q58484

query
sites
Q58484

I

I

S

N

G

A

K

K

T

T

G

K

L

V

L

I

G

G

L

L

I

I

G

G

D

H

P

P

V

V

D

E

H

H

S

S

K

F

S

S

P

P

V

I

M

M

Y

H

N

N

Y

A

G

A

F

F

E

K

K

D

L

K

N

G

L

L

D

N

Y

Y

V

V

Y

Y

L

V

A

A

F

F

Q

D

V

V

P

L

L

P

E

E

K

N

V

L

P

K

D

Y

A

V

I

I

T

D

A

G

I

A

K

K

T

A

F

L

K

G

M

I

K

V

G

G

S

F

N

N

V

V

T

T

M

I

P

P

C

H

K

K

S

I

E

E

V

I

V

M

K

K

Y

Y

M

L

D

D

E

E

L

I

S

D

P

K

A

D

A

A

R

Q

I

L

I

I

G

G

A

A

V

V

N

N

T

T

I

I

V

K

N

I

D

E

N

D

G

G

K

K

L

A

T

I

G

G

H

Y

I

N

T

T

D

D

G

G

V

I

G

G

F

A

V

R

R

M

S

A

L

L

K

E

E

E

G

I

V

G

E

R

V

V

K

K

G

D

K

K

K

N

I

I

T

V

I

I

M

Y

G
|
G

S
x
A

G
|
G

A
|
A

A

A

T

R

A

A

I

V

Q

A

V

F

Q

E

C

L

A

A

L

K

D

D

G

N

S

N

K

I

E

I

I

I

S

A

I

-

F

-

N

-

I

-

K

-

D

-

N

-

F

-

Y

-

E
x
N

R
|
R

A
x
T

Q
x
V

K
x
E

N
x
K

V

A

E

E

T

A

I

L

K

A

K

K

E

E

V

I

P

A

D

E

C

-

T

-

V

-

N

-

L

-

Y

-

D

K

L

L

N

N

D

-

T

-

E

K

K

K

L

F

N

G

E

E

V

V

A

K

S

F

S

S

-

G

-

L

-

D

-

V

-

D

-

L

-

D

-

G

-

V

D

D

I

I

L

I

I

I

N

N

A

A

T
|
T

L

P

V

I

G

G

M
|
M

H

Y

P

P

N

N

E

I

D

D

E

V

S

E

N

P

I

I

K

V

D

K

T

A

S

E

I

K

F

L

R

R

K

E

E

D

L

M

V

V

A

M

D

D

T
x
L

V

I

Y

Y

H

N

P

P

K

L

K

E

T

T

K

V

F

L

L

L

K

K

G

E

A

A

E

K

A

K

A

V

G

N

C

A

K

K

I

T

V

I

G

N

G

G

L

L

G

G

M

M

L

L

L

I

W

Y

Q

Q

G

G

A

A

E

V

A

A

F

F

K

K

L

I

Y

W

T

T

G

G

L

V

E

E

M

P

P

N

V

I

D

E

E

V

I

M

K

K

GAGGA 130:134 (≠ GSGGA 133:137) binding NADP(+)
NRTVEK 152:157 (≠ ERAQKN 164:169) binding NADP(+)
T196 (= T207) binding NADP(+)
M200 (= M211) binding NADP(+)
L224 (≠ T235) binding NADP(+)

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
41% identity, 97% coverage: 5:284/289 of query aligns to 7:278/287 of 1nvtB

query
sites
1nvtB

I

I

S

N

G

A

K

K

T

T

G

K

L

V

L

I

G

G

L

L

I

I

G

G

D

H

P

P

V

V

D
x
E

H
|
H

S

S

K

F

S

S

P

P

V

I

M

M

Y

H

N

N

Y

A

G

A

F

F

E

K

K

D

L

K

N

G

L

L

D

N

Y

Y

V

V

Y

Y

L

V

A

A

F

F

Q

D

V

V

P

L

L

P

E

E

K

N

V

L

P

K

D

Y

A

V

I

I

T

D

A

G

I

A

K

K

T

A

F

L

K

G

M

I

K

V

G

G

S

F

N

N

V

V

T

T

M
x
I

P

P

C

H

K
|
K

S

I

E

E

V

I

V

M

K

K

Y

Y

M

L

D

D

E

E

L

I

S

D

P

K

A

D

A

A

R

Q

I

L

I

I

G

G

A

A

V

V

N

N

T

T

I

I

V

K

N

I

D

E

N

D

G

G

K

K

L

A

T

I

G

G

H

Y

I

N

T

T

D
|
D

G

G

V

I

G

G

F

A

V

R

R

M

S

A

L

L

K

E

E

E

G

I

V

G

E

R

V

V

K

K

G

D

K

K

K

N

I

I

T

V

I

I

M

Y

G
|
G

S

A

G
|
G

A
|
A

A

A

T

R

A

A

I

V

Q

A

V

F

Q

E

C

L

A

A

L

K

D

D

G

N

S

N

K

I

E

I

I

I

S

A

I

-

F

-

N

-

I

-

K

-

D

-

N

-

F

-

Y

-

E
x
N

R
|
R

A
x
T

Q

V

K

E

N
x
K

V

A

E

E

T

A

I

L

K

A

K

K

E

E

V

I

P

A

D

E

C

-

T

-

V

-

N

-

L

-

Y

-

D

K

L

L

N

N

D

-

T

-

E

K

K

K

L

F

N

G

E

E

V

V

A

K

S

F

S

S

-

G

-

L

-

D

-

V

-

D

-

L

-

D

-

G

-

V

D

D

I

I

L

I

I

I

N

N

A
|
A

T
|
T

L
x
P

V
x
I

G

G

M
|
M

H

Y

P

P

N

N

E

I

D

D

E

V

S

E

N

P

I

I

K

V

D

K

T

A

S

E

I

K

F

L

R

R

K

E

E

D

L

M

V

V

A

M

D

D

T
x
L

V

I

Y
|
Y

H

N

P

P

K

L

K

E

T

T

K

V

F

L

L

L

K

K

G

E

A

A

E

K

A

K

A

V

G

N

C

A

K

K

I

T

V

I

G

N

G

G

L

L

G

G

M
|
M

L
|
L

L

I

W

Y

Q

Q

G

G

A

A

E

V

A

A

F

F

K

K

L

I

Y

W

T

T

G

G

L

V

E

E

M

P

P

N

V

I

D

E

E

V

I

M

K

K

active site: K75 (= K73), D111 (= D109)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I72 (≠ M70), G135 (= G133), G137 (= G135), G138 (= G136), A139 (= A137), N157 (≠ E164), R158 (= R165), T159 (≠ A166), K162 (≠ N169), A200 (= A206), T201 (= T207), P202 (≠ L208), I203 (≠ V209), M205 (= M211), L229 (≠ T235), Y231 (= Y237), M255 (= M261), L256 (= L262)
binding zinc ion: E22 (≠ D20), H23 (= H21)

1nvtA Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
41% identity, 97% coverage: 5:284/289 of query aligns to 7:278/287 of 1nvtA

query
sites
1nvtA

I

I

S

N

G

A

K

K

T

T

G

K

L

V

L

I

G

G

L

L

I

I

G

G

D

H

P

P

V

V

D

E

H

H

S

S

K

F

S

S

P

P

V

I

M

M

Y

H

N

N

Y

A

G

A

F

F

E

K

K

D

L

K

N

G

L

L

D

N

Y

Y

V

V

Y

Y

L

V

A

A

F

F

Q

D

V

V

P

L

L

P

E

E

K

N

V

L

P

K

D

Y

A

V

I

I

T

D

A

G

I

A

K

K

T

A

F

L

K

G

M

I

K

V

G

G

S

F

N

N

V

V

T

T

M

I

P

P

C

H

K
|
K

S

I

E

E

V

I

V

M

K

K

Y

Y

M

L

D

D

E

E

L

I

S

D

P

K

A

D

A

A

R

Q

I

L

I

I

G

G

A

A

V

V

N

N

T

T

I

I

V

K

N

I

D

E

N

D

G

G

K

K

L

A

T

I

G

G

H

Y

I

N

T

T

D
|
D

G

G

V

I

G

G

F

A

V

R

R

M

S

A

L

L

K

E

E

E

G

I

V

G

E

R

V

V

K

K

G

D

K

K

K

N

I

I

T

V

I

I

M

Y

G
|
G

S

A

G

G

A
|
A

A

A

T

R

A

A

I

V

Q

A

V

F

Q

E

C

L

A

A

L

K

D

D

G

N

S

N

K

I

E

I

I

I

S

A

I

-

F

-

N

-

I

-

K

-

D

-

N

-

F

-

Y

-

E
x
N

R
|
R

A
x
T

Q

V

K

E

N
x
K

V

A

E

E

T

A

I

L

K

A

K

K

E

E

V

I

P

A

D

E

C

-

T

-

V

-

N

-

L

-

Y

-

D

K

L

L

N

N

D

-

T

-

E

K

K

K

L

F

N

G

E

E

V

V

A

K

S

F

S

S

-

G

-

L

-

D

-

V

-

D

-

L

-

D

-

G

-

V

D

D

I

I

L

I

I

I

N

N

A
|
A

T
|
T

L
x
P

V
x
I

G

G

M
|
M

H

Y

P

P

N

N

E

I

D

D

E

V

S

E

N

P

I

I

K

V

D

K

T

A

S

E

I

K

F

L

R

R

K

E

E

D

L

M

V

V

A

M

D

D

T
x
L

V

I

Y
|
Y

H

N

P

P

K

L

K

E

T

T

K

V

F

L

L

L

K

K

G

E

A

A

E

K

A

K

A

V

G

N

C

A

K

K

I

T

V

I

G

N

G
|
G

L

L

G

G

M
|
M

L
|
L

L

I

W

Y

Q

Q

G

G

A

A

E

V

A

A

F

F

K

K

L

I

Y

W

T

T

G

G

L

V

E

E

M

P

P

N

V

I

D

E

E

V

I

M

K

K

active site: K75 (= K73), D111 (= D109)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G135 (= G133), A139 (= A137), N157 (≠ E164), R158 (= R165), T159 (≠ A166), K162 (≠ N169), A200 (= A206), T201 (= T207), P202 (≠ L208), I203 (≠ V209), M205 (= M211), L229 (≠ T235), Y231 (= Y237), G252 (= G258), M255 (= M261), L256 (= L262)

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
37% identity, 95% coverage: 5:279/289 of query aligns to 2:256/267 of 2hk9B

query
sites
2hk9B

I

I

S

N

G

A

K

Q

T

T

G

Q

L

L

L

Y

G

G

L

V

I

I

G

G

D

F

P

P

V

V

D

K

H

H

S
|
S

K

L

S
|
S

P

P

V

V

M

F

Y

Q

N

N

Y

A

G

L

F

I

E

R

K

Y

L

A

N

G

L

L

D

N

Y

A

V

V

Y

Y

L

L

A

A

F

F

Q

E

V

I

P

N

L

P

E

E

K

E

V

L

P

K

D

K

A

A

I

F

T

E

A

G

I

F

K

K

T

A

F

L

K

K

M

V

K

K

G

G

S

I

N
|
N

V

V

T
|
T

M
x
V

P

P

C

F

K
|
K

S

E

E

E

V

I

K

P

Y

L

M

L

D

D

E

Y

L

V

S

E

P

D

A

T

A

A

R

K

I

E

I

I

G

G

A

A

V

V

N
|
N

T

T

I

V

V

K

N

F

D

E

N

N

G

G

K

K

L

A

T

Y

G

G

H

Y

I

N

T

T

D
|
D

G

W

V

I

G

G

F

F

V

L

R

K

S

S

L

L

K

K

E

S

E

L

G

I

V

P

E

E

V

V

K

K

G

E

K

K

K

S

I

I

T

L

I

V

M

L

G
|
G

S

A

G

G

G
|
G

A
|
A

A

S

T

R

A

A

I

V

Q

I

V

Y

Q

A

C

L

A

V

L

K

D

E

G

G

S

A

K

K

E

-

I

-

S

-

I

V

F

F

N

-

I

-

K

-

D

-

N

-

F

L

Y

W

E
x
N

R
|
R

A
x
T

Q

K

K

E

N
x
K

V

A

E

I

T

K

I

L

K

A

K

Q

E

K

V

F

P

P

D

-

C

-

T

-

V

-

N

-

L

L

Y

E

D

V

L

V

N

N

D

S

T

P

E

E

K

E

L

V

N

I

E

D

E

K

V

V

A

-

S

-

D

Q

I

V

L

I

I

V

N

N

A

T

T
|
T

L
x
S

V
|
V

G

G

M

L

H

-

P

-

N

K

E

D

D

E

E

D

S

P

N

E

I

I

K

F

D

N

T

Y

S

D

I

L

F

I

R

K

K

K

E

D

L

H

V

V

A

V

D

D

T
x
I

V

I

Y
|
Y

H

-

P

-

K

K

K

E

T

T

K

K

F

L

L

L

K

K

G

K

A

A

E

K

A

E

A

K

G

G

C

A

K

K

I

L

V

L

G

D

G

G

L

L

G

P

M
|
M

L
|
L

L

L

W

W

Q
|
Q

G

G

A

I

E

E

A

A

F

F

K

K

L

I

Y

W

T

N

G

G

L

C

E

E

M

V

P

P

binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (≠ M70), G130 (= G133), G133 (= G136), A134 (= A137), N153 (≠ E164), R154 (= R165), T155 (≠ A166), K158 (≠ N169), T188 (= T207), S189 (≠ L208), V190 (= V209), I214 (≠ T235), M238 (= M261), L239 (= L262)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S22), S21 (= S24), N64 (= N67), T66 (= T69), K70 (= K73), N91 (= N94), D106 (= D109), Y216 (= Y237), L239 (= L262), Q242 (= Q265)

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
37% identity, 95% coverage: 5:279/289 of query aligns to 2:256/269 of 2hk9A

query
sites
2hk9A

I

I

S

N

G

A

K

Q

T

T

G

Q

L

L

L

Y

G

G

L

V

I

I

G

G

D

F

P

P

V

V

D

K

H

H

S
|
S

K

L

S
|
S

P

P

V

V

M

F

Y

Q

N

N

Y

A

G

L

F

I

E

R

K

Y

L

A

N

G

L

L

D

N

Y

A

V

V

Y

Y

L

L

A

A

F

F

Q

E

V

I

P

N

L

P

E

E

K

E

V

L

P

K

D

K

A

A

I

F

T

E

A

G

I

F

K

K

T

A

F

L

K

K

M

V

K

K

G

G

S

I

N
|
N

V

V

T

T

M
x
V

P

P

C

F

K
|
K

S

E

E

E

V

I

K

P

Y

L

M

L

D

D

E

Y

L

V

S

E

P

D

A

T

A

A

R

K

I

E

I

I

G

G

A

A

V

V

N
|
N

T

T

I

V

V

K

N

F

D

E

N

N

G

G

K

K

L

A

T

Y

G

G

H

Y

I

N

T

T

D
|
D

G

W

V

I

G

G

F

F

V

L

R

K

S

S

L

L

K

K

E

S

E

L

G

I

V

P

E

E

V

V

K

K

G

E

K

K

K

S

I

I

T

L

I

V

M

L

G

G

S

A

G
|
G

A
|
A

A

S

T

R

A

A

I

V

Q

I

V

Y

Q

A

C

L

A

V

L

K

D

E

G

G

S

A

K

K

E

-

I

-

S

-

I

V

F

F

N

-

I

-

K

-

D

-

N

-

F

L

Y

W

E
x
N

R
|
R

A
x
T

Q

K

K

E

N

K

V

A

E

I

T

K

I

L

K

A

K

Q

E

K

V

F

P

P

D

-

C

-

T

-

V

-

N

-

L

L

Y

E

D

V

L

V

N

N

D

S

T

P

E

E

K

E

L

V

N

I

E

D

E

K

V

V

A

-

S

-

D

Q

I

V

L

I

I

V

N

N

A

T

T
|
T

L
x
S

V
|
V

G

G

M

L

H

-

P

-

N

K

E

D

D

E

E

D

S

P

N

E

I

I

K

F

D

N

T

Y

S

D

I

L

F

I

R

K

K

K

E

D

L

H

V

V

A

V

D

D

T

I

V

I

Y
|
Y

H

-

P

-

K

K

K

E

T

T

K

K

F

L

L

L

K

K

G

K

A

A

E

K

A

E

A

K

G

G

C

A

K

K

I

L

V

L

G

D

G

G

L

L

G

P

M

M

L
|
L

L

L

W

W

Q
|
Q

G

G

A

I

E

E

A

A

F

F

K

K

L

I

Y

W

T

N

G

G

L

C

E

E

M

V

P

P

binding 2'-monophosphoadenosine-5'-diphosphate: V67 (≠ M70), G132 (= G135), G133 (= G136), A134 (= A137), N153 (≠ E164), R154 (= R165), T155 (≠ A166), T188 (= T207), S189 (≠ L208), V190 (= V209)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S22), S21 (= S24), N64 (= N67), K70 (= K73), N91 (= N94), D106 (= D109), Y216 (= Y237), L239 (= L262), Q242 (= Q265)

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
38% identity, 95% coverage: 5:279/289 of query aligns to 2:256/269 of O67049

query
sites
O67049

I

I

S

N

G

A

K

Q

T

T

G

Q

L

L

L

Y

G

G

L

V

I

I

G

G

D

F

P

P

V

V

D

K

H

H

S
|
S

K
x
L

S
|
S

P

P

V

V

M

F

Y

Q

N

N

Y

A

G

L

F

I

E

R

K

Y

L

A

N

G

L

L

D

N

Y

A

V

V

Y

Y

L

L

A

A

F

F

Q

E

V

I

P

N

L

P

E

E

K

E

V

L

P

K

D

K

A

A

I

F

T

E

A

G

I

F

K

K

T

A

F

L

K

K

M

V

K

K

G

G

S

I

N

N

V

V

T

T

M

V

P

P

C

F

K

K

S

E

E

E

V

I

K

P

Y

L

M

L

D

D

E

Y

L

V

S

E

P
x
D

A

T

A

A

R

K

I

E

I

I

G

G

A

A

V

V

N
|
N

T

T

I

V

V

K

N

F

D

E

N

N

G

G

K

K

L

A

T

Y

G

G

H

Y

I

N

T

T

D
|
D

G

W

V

I

G

G

F

F

V

L

R

K

S

S

L

L

K

K

E

S

E

L

G

I

V

P

E

E

V

V

K

K

G

E

K

K

K

S

I

I

T

L

I

V

M

L

G
|
G

S
x
A

G
|
G

A
|
A

A

S

T

R

A

A

I

V

Q

I

V

Y

Q

A

C

L

A

V

L

K

D

E

G

G

S

A

K

K

E

-

I

-

S

-

I

V

F

F

N

-

I

-

K

-

D

-

N

-

F

L

Y

W

E

N

R

R

A

T

Q

K

K

E

N

K

V

A

E

I

T

K

I

L

K

A

K

Q

E

K

V

F

P

P

D

-

C

-

T

-

V

-

N

-

L

L

Y

E

D

V

L

V

N

N

D

S

T

P

E

E

K

E

L

V

N

I

E

D

E

K

V

V

A

-

S

-

D

Q

I

V

L

I

I

V

N

N

A

T

T

T

L

S

V

V

G

G

M

L

H

K

P

D

N

K

E

D

D

P

E

E

S

-

N

-

I

I

K

F

D

N

T

Y

S

D

I

L

F

I

R

K

K

K

E

D

L

H

V

V

A

V

D

D

T
x
I

V

I

Y
|
Y

H

-

P

-

K

K

K

E

T

T

K

K

F

L

L

L

K

K

G

K

A

A

E

K

A

E

A

K

G

G

C

A

K

K

I

L

V

F

G

D

G
|
G

L

L

G

P

M

M

L

L

W

W

Q
|
Q

G

G

A

I

E

E

A

A

F

F

K

K

L

I

Y

W

T

N

G

G

L

C

E

E

M

V

P

P

SLS 19:21 (≠ SKS 22:24) binding shikimate
D82 (≠ P85) binding NADP(+)
N91 (= N94) binding shikimate
D106 (= D109) binding shikimate
GAGGA 130:134 (≠ GSGGA 133:137) binding NADP(+)
I214 (≠ T235) binding NADP(+)
Y216 (= Y237) binding shikimate
G235 (= G258) binding NADP(+)
Q242 (= Q265) binding shikimate

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
33% identity, 96% coverage: 12:289/289 of query aligns to 3:263/269 of Q5HNV1

query
sites
Q5HNV1

L

F

G

A

L

V

I

I

G

G

D

N

P

P

V

I

D

S

H

H

S
|
S

K
x
L

S
|
S

P

P

V

L

M

M

Y

H

N

H

Y

A

G

N

F

F

E

Q

K

S

L

L

N

N

L

L

D

E

Y

N

V

T

Y

Y

L

E

A

A

F

I

Q

N

V

V

P

P

L

V

E

N

K

Q

V

F

P

Q

D

D

A

I

I

K

T

K

A

I

I

I

K

S

T

E

F

K

K

S

M

I

K

D

G

G

S

F

N

N

V

V

T
|
T

M

I

P

P

C

H

K

K

S

E

E

R

V

I

K

P

Y

Y

M

L

D

D

E

D

L

I

S

N

P

E

A

Q

A

A

R

K

I

S

I

V

G

G

A

A

V

V

N
|
N

T

T

I

V

V

L

N

V

D

K

N

D

G

G

K

K

L

W

T

I

G

G

H

Y

I

N

T

T

D
|
D

G

G

V

I

G

G

F

Y

V

V

R

N

S

G

L

L

K

K

E

Q

-

I

-

Y

E

E

G

G

V

I

E

E

V

-

K

-

G

D

K

A

K

Y

I

I

T

L

I

I

M

L

G

G

S

A

G

G

A

A

A

S

T

K

A

G

I

I

Q

A

V

N

Q

E

C

L

A

Y

L

K

D

I

G

V

S

R

K

P

E

T

I

L

S

T

I

V

F

A

N

N

I

R

K

T

D

M

N

S

F

R

Y

F

E

N

R

N

A

W

Q

S

K

L

N

N

V

I

E

N

T

K

I

I

K

-

E

-

V

-

P

-

D

-

C

-

T

-

V

-

N

-

L

-

Y

-

D

N

L

L

N

S

D

H

T

A

E

E

K

S

L

H

N

L

E

D

E

E

V

F

A

-

S

-

D

D

I

I

L

I

I

I

N

N

A

T

T

T

L

P

V

A

G

G

M

M

H

N

P

G

N

N

E

T

D

D

E

S

S

-

N

-

I

V

K

I

D

S

T

L

S

N

I

R

F

L

R

A

K

S

E

H

L

T

V

L

V

V

A

S

D

D

T

I

V

V

Y
|
Y

H

N

P

P

K

Y

K

K

T

T

K

P

F

I

L

L

K

I

G

E

A

A

E

E

A

Q

A

R

G

G

C

N

K

P

I

I

V

Y

G

N

G

G

L

L

G

D

M

M

L

F

L

V

W

H

Q
|
Q

G

G

A

A

E

E

A

S

F

F

K

K

L

I

Y

W

T

T

G

N

L

L

E

E

M

P

P

D

V

I

D

K

E

A

I

M

K

K

E

N

L

I

Y

V

F

I

K

Q

SLS 13:15 (≠ SKS 22:24) binding shikimate
T60 (= T69) binding shikimate
N85 (= N94) binding shikimate
D100 (= D109) binding shikimate
Y211 (= Y237) Plays a major role in the catalytic process and a minor role in the substrate binding; mutation to F: Leads to a 345-fold decrease in the catalytic efficiency and a 3-fold decrease in the affinity binding for shikimate.
Q239 (= Q265) binding shikimate

2ev9B Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP(h) and shikimate (see paper)
33% identity, 92% coverage: 12:276/289 of query aligns to 4:246/263 of 2ev9B

query
sites
2ev9B

L

F

G

A

L

V

I

L

G

G

D

H

P

P

V

V

D

A

H

H

S
|
S

K

L

S
|
S

P

P

V

A

M

M

Y

H

N

A

Y

F

G

A

F

L

E

E

K

S

L

L

N

G

L

L

D

E

Y

G

V

S

Y

Y

L

E

A

A

F

W

Q

D

V

T

P

P

L

L

E

E

K

A

V

L

P

P

D

G

A

R

I

L

T

K

A

E

I

V

K

R

T

R

F

-

K

A

M

F

K

R

G

G

S

V

N
|
N

V

L

T
|
T

M

L

P

P

C

L

K
|
K

S

E

E

A

V

A

V

L

K

A

Y

H

M

L

D

D

E

W

L

V

S

S

P

P

A

E

A

A

R

Q

I

R

I

I

G

G

A

A

V

V

N
|
N

T

T

I

V

V

L

N

Q

D

V

N

E

G

G

K

R

L

L

T

F

G

G

H

F

I

N

T

T

D
|
D

G

A

V

P

G

G

F

F

V

L

R

E

S

A

L

L

K

K

E

A

E

G

G

G

V

I

E

P

V

L

K

K

G

G

K

P

K

A

I

L

T

V

I

L

M

G

G

A

S

G

G

-

A

G

A

A

T

G

A

R

I

A

Q

V

V

A

Q

F

C

A

A

L

L

R

D

E

G

A

S

G

K

L

E

E

I

V

S

W

I

V

F

W

N

N

I

-

K

-

D

-

N

-

F

-

Y

-

E

-

R

R

A

T

Q

P

K

Q

N

R

V

A

E

L

T

A

I

L

K

A

K

E

E

E

V

F

P

G

D

L

C

R

T

A

V

V

N

P

L

L

Y

-

D

-

L

-

N

-

D

-

T

-

E

-

K

-

L

-

N

-

E

E

E

K

V

A

A

R

S

E

S

A

D

R

I

L

L

L

I

V

N

N

A

A

T

T

L

R

V

V

G

G

M

L

H

-

P

-

N

-

E

E

D

D

E

P

S

S

-

A

N

S

I

P

K

L

D

P

T

A

S

E

I

L

F

F

R

P

K

E

E

E

L

G

V

A

A

V

D

D

T

L

V

V

Y

Y

H

R

P

P

K

L

K

W

T

T

K

R

F

F

L

L

K

R

G

E

A

A

E

K

A

A

A

K

G

G

C

L

K

K

I

V

V

Q

G

T

G

G

L

L

G

P

M

M

L

L

L

A

W

W

Q
|
Q

G

G

A

A

E

L

A

A

F

F

K

R

L

L

Y

W

T

T

G

G

L

L

active site: K64 (= K73), D100 (= D109)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S22), S16 (= S24), N58 (= N67), T60 (= T69), K64 (= K73), N85 (= N94), D100 (= D109), Q235 (= Q265)

2cy0A Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP (see paper)
33% identity, 92% coverage: 12:276/289 of query aligns to 4:246/262 of 2cy0A

query
sites
2cy0A

L

F

G

A

L

V

I

L

G

G

D

H

P

P

V

V

D

A

H

H

S

S

K

L

S

S

P

P

V

A

M

M

Y

H

N

A

Y

F

G

A

F

L

E

E

K

S

L

L

N

G

L

L

D

E

Y

G

V

S

Y

Y

L

E

A

A

F

W

Q

D

V

T

P

P

L

L

E

E

K

A

V

L

P

P

D

G

A

R

I

L

T

K

A

E

I

V

K

R

T

R

F

-

K

A

M

F

K

R

G

G

S

V

N

N

V

L

T

T

M

L

P

P

C

L

K
|
K

S

E

E

A

V

A

V

L

K

A

Y

H

M

L

D

D

E

W

L

V

S

S

P

P

A

E

A

A

R

Q

I

R

I

I

G

G

A

A

V

V

N

N

T

T

I

V

V

L

N

Q

D

V

N

E

G

G

K

R

L

L

T

F

G

G

H

F

I

N

T

T

D
|
D

G

A

V

P

G

G

F

F

V

L

R

E

S

A

L

L

K

K

E

A

E

G

G

G

V

I

E

P

V

L

K

K

G

G

K

P

K

A

I

L

T

V

I

L

M
x
G

G

A

S

G

G

-

A
x
G

A
|
A

T

G

A

R

I

A

Q

V

V

A

Q

F

C

A

A

L

L

R

D

E

G

A

S

G

K

L

E

E

I

V

S

W

I

V

F

W

N
|
N

I

-

K

-

D

-

N

-

F

-

Y

-

E

-

R
|
R

A
x
T

Q

P

K

Q

N
x
R

V

A

E

L

T

A

I

L

K

A

K

E

E

E

V

F

P

G

D

L

C

R

T

A

V

V

N

P

L

L

Y

-

D

-

L

-

N

-

D

-

T

-

E

-

K

-

L

-

N

-

E

E

E

K

V

A

A

R

S

E

S

A

D

R

I

L

L

L

I

V

N

N

A

A

T
|
T

L
x
R

V
|
V

G

G

M

L

H

-

P

-

N

-

E

E

D

D

E

P

S

S

-

A

N

S

I

P

K

L

D

P

T

A

S

E

I

L

F

F

R

P

K

E

E

E

L

G

V

A

A

V

D

D

T
x
L

V

V

Y

Y

H

R

P

P

K

L

K

W

T

T

K

R

F

F

L

L

K

R

G

E

A

A

E

K

A

A

A

K

G

G

C

L

K

K

I

V

V

Q

G

T

G

G

L

L

G

P

M

M

L
|
L

L

A

W

W

Q

Q

G

G

A

A

E

L

A

A

F

F

K

R

L

L

Y

W

T

T

G

G

L

L

active site: K64 (= K73), D100 (= D109)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G123 (≠ M132), G126 (≠ A137), A127 (= A138), N146 (= N157), R147 (= R165), T148 (≠ A166), R151 (≠ N169), T179 (= T207), R180 (≠ L208), V181 (= V209), L205 (≠ T235), L232 (= L262)

Q5SJF8 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8) (see paper)
33% identity, 92% coverage: 12:276/289 of query aligns to 4:246/263 of Q5SJF8

query
sites
Q5SJF8

L

F

G

A

L

V

I

L

G

G

D

H

P

P

V

V

D

A

H

H

S
|
S

K
x
L

S
|
S

P

P

V

A

M

M

Y

H

N

A

Y

F

G

A

F

L

E

E

K

S

L

L

N

G

L

L

D

E

Y

G

V

S

Y

Y

L

E

A

A

F

W

Q

D

V

T

P

P

L

L

E

E

K

A

V

L

P

P

D

G

A

R

I

L

T

K

A

E

I

V

K

R

T

R

F

-

K

A

M

F

K

R

G

G

S

V

N

N

V

L

T
|
T

M

L

P

P

C

L

K
|
K

S

E

E

A

V

A

V

L

K

A

Y

H

M

L

D

D

E

W

L

V

S

S

P

P

A

E

A

A

R

Q

I

R

I

I

G

G

A

A

V

V

N
|
N

T

T

I

V

V

L

N

Q

D

V

N

E

G

G

K

R

L

L

T

F

G

G

H

F

I

N

T

T

D
|
D

G

A

V

P

G

G

F

F

V

L

R

E

S

A

L

L

K

K

E

A

E

G

G

G

V

I

E

P

V

L

K

K

G

G

K

P

K

A

I

L

T

V

I

L

M
x
G

G
x
A

S
x
G

G

-

A
x
G

A
|
A

T

G

A

R

I

A

Q

V

V

A

Q

F

C

A

A

L

L

R

D

E

G

A

S

G

K

L

E

E

I

V

S

W

I

V

F

W

N
|
N

I

-

K

-

D

-

N

-

F

-

Y

-

E

-

R
|
R

A
x
T

Q
x
P

K
x
Q

N
x
R

V

A

E

L

T

A

I

L

K

A

K

E

E

E

V

F

P

G

D

L

C

R

T

A

V

V

N

P

L

L

Y

-

D

-

L

-

N

-

D

-

T

-

E

-

K

-

L

-

N

-

E

E

E

K

V

A

A

R

S

E

S

A

D

R

I

L

L

L

I

V

N

N

A

A

T

T

L

R

V

V

G

G

M

L

H

-

P

-

N

-

E

E

D

D

E

P

S

S

-

A

N

S

I

P

K

L

D

P

T

A

S

E

I

L

F

F

R

P

K

E

E

E

L

G

V

A

A

V

D

D

T
x
L

V

V

Y
|
Y

H

R

P

P

K

L

K

W

T

T

K

R

F

F

L

L

K

R

G

E

A

A

E

K

A

A

A

K

G

G

C

L

K

K

I

V

V

Q

G

T

G
|
G

L

L

G

P

M

M

L

L

L

A

W

W

Q
|
Q

G

G

A

A

E

L

A

A

F

F

K

R

L

L

Y

W

T

T

G

G

L

L

SLS 14:16 (≠ SKS 22:24) binding shikimate
T60 (= T69) binding shikimate
K64 (= K73) active site, Proton acceptor
N85 (= N94) binding shikimate
D100 (= D109) binding shikimate
GAG--GA 123:127 (≠ MGSGGAA 132:138) binding NADP(+)
N-------RTPQR 146:151 (≠ NIKDNFYERAQKN 157:169) binding NADP(+)
L205 (≠ T235) binding NADP(+)
Y207 (= Y237) binding shikimate
G228 (= G258) binding NADP(+)
Q235 (= Q265) binding shikimate

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
33% identity, 95% coverage: 12:286/289 of query aligns to 3:251/258 of 3dooA

query
sites
3dooA

L

F

G

A

L

V

I

I

G

G

D

N

P

P

V

I

D

S

H

H

S
|
S

K

L

S
|
S

P

P

V

L

M

M

Y

H

N

H

Y

A

G

N

F

F

E

Q

K

S

L

L

N

N

L

L

D

E

Y

N

V

T

Y

Y

L

E

A

A

F

I

Q

N

V

V

P

P

L

V

E

N

K

Q

V

F

P

Q

D

D

A

I

I

K

T

K

A

I

I

I

K

S

T

E

F

K

K

S

M

I

K

D

G

G

S

F

N
|
N

V

V

T
|
T

M

I

P

P

C

H

K
|
K

S

E

E

R

V

I

K

P

Y

Y

M

L

D

D

E

D

L

I

S

N

P

E

A

Q

A

A

R

K

I

S

I

V

G

G

A

A

V

V

N
|
N

T

T

I

V

V

L

N

V

D

K

N

D

G

G

K

K

L

W

T

I

G

G

H

Y

I

N

T

T

D
|
D

G

G

V

I

G

G

F

Y

V

V

R

N

S

G

L

L

K

K

E

Q

-

I

-

Y

E

E

G

G

V

I

E

E

V

-

K

-

G

D

K

A

K

Y

I

I

T

L

I

I

M

L

G

G

S

A

G

G

A

A

A

S

T

K

A

G

I

I

Q

A

V

N

Q

E

C

L

A

Y

L

K

D

I

G

V

S

R

K

P

E

T

I

L

S

T

I

V

F

A

N

N

I

R

K

T

D

M

N

S

F

R

Y

F

E

N

R

N

A

W

Q

S

K

L

N

N

V

I

E

N

T

K

I

I

K

-

E

-

V

-

P

-

D

-

C

-

T

-

V

-

N

-

L

-

Y

-

D

N

L

L

N

S

D

H

T

A

E

E

K

S

L

H

N

L

E

D

E

E

V

F

A

-

S

-

D

D

I

I

L

I

I

I

N

N

A

T

T

T

L

P

V

V

G

-

M

-

H

-

P

-

N

-

E

-

D

-

E

-

S

-

N

-

I

-

K

-

D

-

T

I

S

S

I

L

F

N

R

R

-

L

-

A

K

S

E

H

L

T

V

L

V

V

A

S

D

D

T

I

V

V

Y

Y

H

N

P

P

K

Y

K

K

T

T

K

P

F

I

L

L

K

I

G

E

A

A

E

E

A

Q

A

R

G

G

C

N

K

P

I

I

V

Y

G

N

G

G

L

L

G

D

M

M

L
x
F

L

V

W

H

Q
|
Q

G

G

A

A

E

E

A

S

F

F

K

K

L

I

Y

W

T

T

G

N

L

L

E

E

M

P

P

D

V

I

D

K

E

A

I

M

K

K

E

N

L

I

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S13 (= S22), S15 (= S24), N58 (= N67), T60 (= T69), K64 (= K73), N85 (= N94), D100 (= D109), F227 (≠ L262), Q230 (= Q265)

7colA Crystal structure of 5-ketofructose reductase complexed with NADPH (see paper)
35% identity, 92% coverage: 11:275/289 of query aligns to 7:262/280 of 7colA

query
sites
7colA

L

L

L

T

G

G

L

S

I

F

G

S

D

T

P

P

V

C

D

A

H

D

S

N

K

P

S

T

P

V

V

A

M

M

Y

V

N

E

Y

A

G

G

F

Y

E

H

K

H

L

A

N

G

L

L

D

D

Y

A

V

R

Y

Y

L

I

A

N

F

C

Q

D

V

V

P

K

L

A

E

S

K

G

V

L

P

A

D

D

A

A

I

V

T

K

A

G

I

A

K

K

T

A

F

M

K

E

M

W

K

V

G

G

S

F

N

N

V

C

T

S

M

L

P

P

C

H

K

K

S

V

E

A

V

V

V

L

K

D

Y

H

M

L

D

D

E

D

L

I

S

A

P

E

A

S

A

A

R

R

I

L

I

I

G

G

A

A

V

V

N

N

T

C

I

V

V

A

N

I

D

R

N

E

G

G

K

K

L

L

T

I

G

G

H

H

I

N

T

T

D

D

G

G

V

K

G

G

F

F

V

L

R

A

S

S

L

L

K

K

E

T

E

V

G

-

V

T

E

S

V

P

K

A

G

G

K

K

K

R

I

V

T

V

I

I

M

L

G
|
G

S

A

G
|
G

A
|
A

A

A

T

R

A

A

I

I

Q

A

V

V

Q

E

C

L

A

A

L

L

D

A

G

G

S

A

K

A

E

H

I

I

S

T

I

I

F

V

N
|
N

I

-

K

-

D

-

N

-

F

-

Y

-

E

-

R
|
R

A

D

Q

A

K

S

N
x
K

V

A

E

E

T

T

I

I

K

A

E

L

V

I

P

N

D

D

C

K

T

T

V

E

N

A

L

T

Y

G

D

E

L

A

N

Q

D

A

T

W

E

S

K

G

L

K

N

F

E

S

E

L

V

P

A

T

S

G

S

T

D

D

I

I

L

L

I

I

N

N

A

A

T
|
T

L
x
S

V
x
I

G

G

M

L

H

G

P

D

N

P

E

N

D

A

E

A

S

P

N

P

I

V

K

E

D

M

T

G

S

S

I

L

F

-

R

T

K

K

E

E

L

T

V

V

A

A

D

D

T
x
V

V

I

Y

P

H

N

P

P

K

P

K

Q

T

T

K

R

F

F

L

L

K

K

G

D

A

A

E

K

A

A

A

L

G

G

C

C

K

T

I

T

V

L

G

D

G

G

L

L

G

G

M

M

L

L

L

V

W

N

Q
|
Q

G

G

A

V

E

I

A

G

F

V

K

E

L

I

Y

W

T

L

G

G

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G128 (= G133), G130 (= G135), G131 (= G136), A132 (= A137), N152 (= N157), R153 (= R165), K157 (≠ N169), T195 (= T207), S196 (≠ L208), I197 (≠ V209), V222 (≠ T235), Q252 (= Q265)

2o7qA Crystal structure of the a. Thaliana dhq-dehydroshikimate-sdh- shikimate-NADP(h)
32% identity, 99% coverage: 5:289/289 of query aligns to 230:487/501 of 2o7qA

query
sites
2o7qA

I

I

S

G

G

P

K

D

T

T

G

K

L

V

L

Y

G

G

L
x
I

I

I

G

G

D

K

P

P

V

V

D

S

H

H

S
|
S

K

K

S
|
S

P

P

V

I

M

V

Y

H

N

N

Y

Q

G

A

F

F

E

K

K

S

L

V

N

D

L

F

D

N

Y

G

V

V

Y

Y

L

V

A

H

F

L

Q

L

V

V

P

-

L

-

E

D

K

N

V

L

P

V

D

S

A

F

I

L

T

Q

A

A

I

Y

K

S

T

S

F

S

K

D

M

F

K

A

G

G

S

F

N

S

V

C

T
|
T

M

I

P

P

C

H

K
|
K

S

E

E

A

V

A

V

L

K

Q

Y

C

M

C

D

D

E

E

L

V

S

D

P

P

A

L

A

A

R

K

I

S

I

I

G

G

A

A

V

V

N

N

T

T

I

I

V

L

N

R

-

R

-

K

D

S

N

D

G

G

K

K

L

L

T

L

G

G

H

Y

I

N

T

T

D
|
D

G

C

V

I

G

G

F

S

V

I

R

S

S

A

L

I

K

-

E

E

E

D

G

G

V

L

E

T

V

V

K

-

G

-

K

-

I

V

T

V

I

I

M

G

G

A

S

G

G

G

G

A

A

G

A

K

T

A

A

L

I

A

Q

Y

V

G

Q

-

C

-

A

-

L

-

D

-

G

-

S

A

K

K

E

E

I

K

S

A

I

K

F

V

N

V

I

I

K

A

D

N

N

R

F

T

Y

Y

E

E

R

R

A

A

Q

L

K

E

N

L

V

A

E

E

T

A

I

I

K

G

E

K

V

-

P

-

D

-

C

-

T

A

V

L

N

S

L

L

Y

T

D

D

L

L

N

D

D

N

T

Y

E

E

K

-

L

-

N

-

E

-

V

-

A

-

S

D

S

G

D

M

I

V

L

L

I

A

N

N

A

T

T

T

L

S

V

M

G

G

M

M

H

Q

P

P

N

N

E

V

D

E

E

E

S

T

N

P

I

I

K

S

D

K

T

D

S

A

I

L

F

K

R

H

K

Y

E

A

L

L

V

V

V

F

A

-

D

D

T

A

V

V

Y
|
Y

H

T

P

P

K

R

K

I

T

T

K

R

F

L

L

L

K

R

G

E

A

A

E

E

A

E

A

S

G

G

C

A

K

I

I

T

V

V

G

S

G

G

L

S

G

E

M

M

L
x
F

L

V

W

R

Q
|
Q

G

A

A

Y

E

E

A
x
Q

F

F

K

E

L

I

Y

F

T

T

G

G

L

L

E

P

M

A

P

P

V

-

D

-

E

-

I

-

K

K

E

E

L

L

Y

Y

F

W

K

Q

binding 3-dehydroshikimate: I239 (≠ L14), S247 (= S22), S249 (= S24), T292 (= T69), K296 (= K73), D334 (= D109), Y439 (= Y237), F464 (≠ L262), Q467 (= Q265), Q471 (≠ A269)

Sites not aligning to the query:

active site: 70, 125, 152
binding 3-dehydroshikimate: 35, 152, 190, 202, 211, 212, 215

Query Sequence

>WP_012101388.1 NCBI__GCF_000016505.1:WP_012101388.1
MKNDISGKTGLLGLIGDPVDHSKSPVMYNYGFEKLNLDYVYLAFQVPLEKVPDAITAIKT
FKMKGSNVTMPCKSEVVKYMDELSPAARIIGAVNTIVNDNGKLTGHITDGVGFVRSLKEE
GVEVKGKKITIMGSGGAATAIQVQCALDGSKEISIFNIKDNFYERAQKNVETIKKEVPDC
TVNLYDLNDTEKLNEEVASSDILINATLVGMHPNEDESNIKDTSIFRKELVVADTVYHPK
KTKFLKGAEAAGCKIVGGLGMLLWQGAEAFKLYTGLEMPVDEIKELYFK

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