SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_007472824.1 NCBI__GCF_000170735.1:WP_007472824.1 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)

P56119 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori)
42% identity, 100% coverage: 2:255/255 of query aligns to 6:260/263 of P56119

query
sites
P56119

Y

F

A

G

I

V

F

F

G

G

N

N

P

P

V

I

S

K

H

H

S
|
S

K
|
K

S
|
S

P

P

L

L

M

I

H

H

N

N

Y

A

F

C

F

F

-

L

-

T

-

F

-

Q

K

K

K

E

S

L

G

R

I

F

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L

E

G

C

H

Y

Y

G

H

R

P

Y

I

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L

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E

P

D

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G

E

S

S

K

H

I

I

I

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E

S

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E

F

F

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L

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H

L

L

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G

L

L

K

S

G

G

A

A

N

N

V

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T
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T

V

L

P

P

H

F

K

K

E

E

W

R

A

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Y

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G

I

I

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E

E

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G

A

A

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V

N
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N

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T

L

L

L

V

L

L

E

E

N

N

N

D

K

E

I

L

I

V

G

G

Y

Y

N

N

T

T

D
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D

A

A

P

L

G

G

F

F

K

Y

E

L

A

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L

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K

E

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D

N

Y

Y

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K

N

P

A

L

L

I

I

I

L

G
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G

A
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A

G
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G

T
x
S

A

A

K

K

A

A

I

L

S

A

L

C

V

E

L

L

K

K

N

K

P

Q

-

G

-

L

-

Q

-

V

T

S

I

V

L

L

N

N

R

R

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S

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S

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R

R

G

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L

E

D

Y

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F

E

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L

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T

C

Y

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T

M

W

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N

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S

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A

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-

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-

F

F

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D

L

L

I

I

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N

T

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T

T

S
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S

A

A

G

S

L

L

S

H

E

N

E

E

V

-

L

L

P

P

T

L

P

N

K

K

E

E

I

V

I

L

E

K

K

G

L

Y

F

F

K

K

N

E

A

G

K

K

F

L

C

A

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Y

D

D

V

L

I

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Y
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Y

G

G

K

F

E

L

T

T

L

P

F

F

L

L

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S

E

L

A

A

K

K

K

E

Y

L

N

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L

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L

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F

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K

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T

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G
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G

L

K

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M

M

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Q

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A

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A

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L

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M

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E

E

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L

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Y

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A

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-

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-

I

-

Y

-

F

F

E

E

I

V

L

M

R

R

SKS 16:18 (= SKS 12:14) binding shikimate
T65 (= T57) binding shikimate
N90 (= N82) binding shikimate
D105 (= D97) binding shikimate
GAGGS 125:129 (≠ GAGGT 117:121) binding NADP(+)
S181 (= S171) binding NADP(+)
Y210 (= Y201) binding shikimate
G230 (= G221) binding NADP(+)
Q237 (= Q228) binding shikimate

4fosA Crystal structure of shikimate dehydrogenase (aroe) q237a mutant from helicobacter pylori in complex with shikimate
42% identity, 100% coverage: 2:255/255 of query aligns to 6:260/263 of 4fosA

query
sites
4fosA

Y

F

A

G

I

V

F

F

G

G

N

N

P

P

V

I

S

K

H

H

S
|
S

K

K

S
|
S

P

P

L

L

M

I

H

H

N

N

Y

A

F

C

F

F

-

L

-

T

-

F

-

Q

K

K

K

E

S

L

G

R

I

F

K

L

E

G

C

H

Y

Y

G

H

R

P

Y

I

K

L

L

L

E

P

D

L

G

E

S

S

K

H

I

I

I

K

E

S

K

E

F

F

K

L

N

H

L

L

K

G

L

L

K

S

G

G

A

A

N
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N

V
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V

T
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T

V

L

P

P

H

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K
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K

E

E

W

R

A

A

Y

F

K

Q

L

V

C

C

D

D

E

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I

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K

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G

I

I

A

A

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L

E

E

I

C

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G

A

A

V

V

N
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N

T

T

L

L

L

V

L

L

E

E

N

N

N

D

K

E

I

L

I

V

G

G

Y

Y

N

N

T

T

D
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D

A

A

P

L

G

G

F

F

K

Y

E

L

A

S

I

L

K

K

E

Q

F

K

D

N

Y

Y

K

Q

K

N

P

A

L

L

I

I

I

L

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G

A

A

G

G

T

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A

A

K

K

A

A

I

L

S

A

L

C

V

E

L

L

K

K

-

K

-

Q

-

G

-

L

N

Q

P

V

T

S

I

V

L

L

N

N

R

R

S

S

K

S

N

R

R

G

F

L

E

D

Y

F

F

F

E

Q

K

R

K

L

G

G

L

C

K

D

T

C

Y

F

T

M

W

E

D

P

N

P

I

K

N

S

E

A

F

-

D

-

F

F

D

D

L

L

I

I

N

N

T

A

T

T

S

S

A

A

G

S

L

L

S

H

E

N

E

E

V

-

L

L

P

P

T

L

P

N

K

K

E

E

I

V

I

L

E

K

K

G

L

Y

F

F

K

K

N

E

A

G

K

K

F

L

C

A

V

Y

D

D

V

L

I

A

Y
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Y

G

G

K

F

E

L

T

T

L

P

F

F

L

L

K

S

E

L

A

A

K

K

K

E

Y

L

N

K

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T

L

P

F

F

K

Q

T

D

G

G

L

K

D

D

M

M

L
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L

V

I

Y

Y

Q

A

G

A

V

A

L

L

A

S

M

F

E

E

L

K

F

F

L

S

N

A

K

S

K

Q

L

I

N

P

K

Y

K

S

E

K

V

A

A

-

D

-

I

-

Y

-

F

F

E

E

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M

R

R

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S16 (= S12), S18 (= S14), N63 (= N55), V64 (= V56), T65 (= T57), K69 (= K61), N90 (= N82), D105 (= D97), Y210 (= Y201), L234 (= L225)

3phiA Shikimate 5-dehydrogenase (aroe) from helicobacter pylori in complex with shikimate and NADPH
42% identity, 100% coverage: 2:255/255 of query aligns to 6:257/259 of 3phiA

query
sites
3phiA

Y

F

A

G

I

V

F

F

G

G

N

N

P

P

V

I

S

K

H

H

S
|
S

K

K

S
|
S

P

P

L

L

M

I

H

H

N

N

Y

A

F

C

F

F

-

L

-

T

-

F

-

Q

K

K

K

E

S

L

G

R

I

F

K

L

E

G

C

H

Y

Y

G

H

R

P

Y

I

K

L

L

L

E

P

D

L

G

E

S

S

K

H

I

I

I

K

E

S

K

E

F

F

K

L

N

H

L

L

K

G

L

L

K

S

G

G

A

A

N
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N

V

V

T

T

V
x
L

P
|
P

H

F

K
|
K

E

E

W

R

A

A

Y

F

K

Q

L

V

C

C

D

D

E

K

V

I

K

K

G

G

I

I

A

A

K

L

E

E

I

C

K

G

A

A

V

V

N
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N

T

T

L

L

L

V

L

L

E

E

N

N

N

D

K

E

I

L

I

V

G

G

Y

Y

N

N

T

T

D
|
D

A

A

P

L

G

G

F

F

K

Y

E

L

A

S

I

L

K

K

E

-

F

-

D

-

Y

Y

K

Q

K

N

P

A

L

L

I

I

I

L

G

G

A

A

G
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G

T
x
S

A

A

K

K

A

A

I

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S

A

L

C

V

E

L

L

K

K

-

K

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Q

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G

-

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N

Q

P

V

T

S

I

V

L

L

N

N

R
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R

S

S

K

S

N

R

R

G

F

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Y

F

F

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G

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C

Y

F

T

M

W

E

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N

P

I

K

N

S

E

A

F

-

D

-

F

F

D

D

L

L

I

I

N

N

T

A

T
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T

S
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S

A
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A

G

S

L
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L

S

H

E

N

E

E

V

-

L

L

P
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P

T

L

P

N

K

K

E

E

I

V

I

L

E

K

K

G

L

Y

F

F

K

K

N

E

A

G

K

K

F

L

C

A

V

Y

D

D

V
x
L

I

A

Y
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Y

G

G

K

F

E

L

T

T

L

P

F

F

L

L

K

S

E

L

A

A

K

K

K

E

Y

L

N

K

L

T

L

P

F

F

K

Q

T

D

G
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G

L

K

D

D

M
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M

L
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L

V

I

Y

Y

Q
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Q

G

A

V

A

L

L

A

S

M

F

E

E

L

K

F

F

L

S

N

A

K

S

K

Q

L

I

N

P

K

Y

K

S

E

K

V

A

A

-

D

-

I

-

Y

-

F

F

E

E

I

V

L

M

R

R

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: L66 (≠ V58), P67 (= P59), K69 (= K61), G124 (= G119), G125 (= G120), S126 (≠ T121), R146 (= R137), T177 (= T170), S178 (= S171), A179 (= A172), L181 (= L174), P186 (= P180), L205 (≠ V199), Y207 (= Y201), G227 (= G221), M230 (= M224), L231 (= L225)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S16 (= S12), S18 (= S14), N63 (= N55), K69 (= K61), N90 (= N82), D105 (= D97), Y207 (= Y201), Q234 (= Q228)

3phjA Shikimate 5-dehydrogenase (aroe) from helicobacter pylori in complex with 3-dehydroshikimate
41% identity, 100% coverage: 2:255/255 of query aligns to 6:252/255 of 3phjA

query
sites
3phjA

Y

F

A

G

I

V

F

F

G

G

N

N

P

P

V

I

S

K

H

H

S
|
S

K

K

S
|
S

P

P

L

L

M

I

H

H

N

N

Y

A

F

C

F

F

-

L

-

T

-

F

-

Q

K

K

K

E

S

L

G

R

I

F

K

L

E

G

C

H

Y

Y

G

H

R

P

Y

I

K

L

L

L

E

P

D

L

G

E

S

S

K

H

I

I

I

K

E

S

K

E

F

F

K

L

N

H

L

L

K

G

L

L

K

S

G

G

A

A

N
|
N

V

V

T

T

V

L

P

P

H

F

K
|
K

E

E

W

R

A

A

Y

F

K

Q

L

V

C

C

D

D

E

K

V

I

K

K

G

G

I

I

A

A

K

L

E

E

I

C

K

G

A

A

V

V

N
|
N

T

T

L

L

L

V

L

L

E

E

N

N

N

D

K

E

I

L

I

V

G

G

Y

Y

N

N

T

T

D
|
D

A

A

P

L

G

G

F

F

K

Y

E

L

A

S

I

L

K

K

E

-

F

-

D

-

Y

Y

K

Q

K

N

P

A

L

L

I

I

I

L

G

G

A

A

G

G

T

S

A

A

K

K

A

A

I

L

S

A

L

C

V

E

L

L

K

K

-

K

-

Q

-

G

-

L

N

Q

P

V

T

S

I

V

L

L

N

N

R

R

S

S

K

S

N

R

R

G

F

L

E

D

Y

F

F

F

E

Q

K

R

K

L

G

G

L

C

K

D

T

C

Y

F

T

M

W

E

D

P

N

P

I

K

N

S

E

A

F

-

D

-

F

F

D

D

L

L

I

I

N

N

T

A

T

T

S

S

A

E

G

-

L

-

S

-

E

-

V

-

L

L

P

P

T

L

P

N

K

K

E

E

I

V

I

L

E

K

K

G

L

Y

F

F

K

K

N

E

A

G

K

K

F

L

C

A

V

Y

D

D

V

L

I

A

Y
|
Y

G

G

K

F

E

L

T

T

L

P

F

F

L

L

K

S

E

L

A

A

K

K

K

E

Y

L

N

K

L

T

L

P

F

F

K

Q

T

D

G

G

L

K

D

D

M

M

L

L

V

I

Y

Y

Q
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Q

G

A

V

A

L

L

A

S

M

F

E

E

L

K

F

F

L

S

N

A

K

S

K

Q

L

I

N

P

K

Y

K

S

E

K

V

A

A

-

D

-

I

-

Y

-

F

F

E

E

I

V

L

M

R

R

binding 3-dehydroshikimate: S16 (= S12), S18 (= S14), N63 (= N55), K69 (= K61), N90 (= N82), D105 (= D97), Y202 (= Y201), Q229 (= Q228)

P15770 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Escherichia coli (strain K12) (see paper)
36% identity, 92% coverage: 2:236/255 of query aligns to 4:252/272 of P15770

query
sites
P15770

Y

Y

A

A

I

V

F

F

G

G

N

N

P

P

V

I

S

A

H

H

S

S

K

K

S

S

P

P

L

F

M

I

H

H

N

Q

Y

Q

F

F

F

A

K

Q

S

L

G

N

I

I

K

E

E

H

C

P

Y

Y

G

G

R

R

Y

V

-

L

-

A

K

P

L

I

E

N

D

D

G

F

S

I

K

N

I

T

I

L

E

N

K

A

F

F

K

F

N

S

L

A

K

G

L

G

K

K

G

G

A

A

N

N

V

V

T

T

V

V

P

P

H

F

K

K

E

E

W

E

A

A

Y

F

K

A

L

R

C

A

D

D

E

E

V

L

K

T

G

E

I

R

A

A

K

A

E

L

I

A

K

G

A

A

V

V

N

N

T

T

L

L

L

M

-

R

L

L

E

E

N

D

N

G

K

R

I

L

G

G

Y

D

N

N

T

T

D

D

A

G

P

V

G

G

F

L

K

L

E

S

A

D

I

L

K

E

E

R

F

L

D

S

Y

F

K

I

K

R

P

P

-

G

-

L

-

R

-

I

L

L

I

L

I

I

G
|
G

A
|
A

G
|
G

T
x
A

A

S

K

R

A

G

I

V

S

L

L

L

V

P

L

L

K

L

N

S

-

L

-

D

-

C

-

A

P

V

T

T

I

I

L

T

N
|
N

R
|
R

S
x
T

K
x
V

N
x
S

R
|
R

F

A

E

E

Y

E

F

L

E

A

K

K

-

L

-

F

-

A

-

H

-

T

K

G

G

S

L

I

K

Q

T

A

Y

L

T

S

W

M

D

D

N

E

I

L

N

E

E

G

F

H

D

E

F

F

D

D

L

L

I

I

N

N

T

A

T

T

S

S

A

S

G

G

L

I

S

S

E

G

E

D

V

I

L

P

P

A

T

I

P

P

K

S

E

S

I

L

I

I

E

H

K

P

L

-

F

-

K

-

N

-

A

G

K

I

F

Y

C

C

V

Y

D

D

V
x
M

I

F

Y

Y

G

Q

K

K

-

G

E

K

T

T

L

P

F

F

L

L

-

A

-

W

-

C

-

E

K

Q

E

R

A

G

K

S

K

K

Y

R

N

N

L

-

F

-

K

A

T

D

G
|
G

L

L

D

G

M

M

L

L

V

V

Y

A

Q

Q

G

A

V

A

L

H

A

A

M

F

E

L

L

L

F

W

GAGGA 126:130 (≠ GAGGT 117:121) binding NADP(+)
NRTVSR 149:154 (≠ NRSKNR 136:141) binding NADP(+)
M213 (≠ V199) binding NADP(+)
G237 (= G221) binding NADP(+)

1nytA Shikimate dehydrogenase aroe complexed with NADP+ (see paper)
36% identity, 92% coverage: 2:236/255 of query aligns to 4:252/271 of 1nytA

query
sites
1nytA

Y

Y

A

A

I

V

F

F

G

G

N

N

P

P

V

I

S

A

H

H

S

S

K

K

S

S

P

P

L

F

M

I

H

H

N

Q

Y

Q

F

F

F

A

K

Q

S

L

G

N

I

I

K

E

E

H

C

P

Y

Y

G

G

R

R

Y

V

-

L

-

A

K

P

L

I

E

N

D

D

G

F

S

I

K

N

I

T

I

L

E

N

K

A

F

F

K

F

N

S

L

A

K

G

L

G

K

K

G

G

A

A

N

N

V

V

T

T

V

V

P

P

H

F

K
|
K

E

E

W

E

A

A

Y

F

K

A

L

R

C

A

D

D

E

E

V

L

K

T

G

E

I

R

A

A

K

A

E

L

I

A

K

G

A

A

V

V

N

N

T

T

L

L

L

M

-

R

L

L

E

E

N

D

N

G

K

R

I

L

G

G

Y

D

N

N

T

T

D
|
D

A

G

P

V

G

G

F

L

K

L

E

S

A

D

I

L

K

E

E

R

F

L

D

S

Y

F

K

I

K

R

P

P

-

G

-

L

-

R

-

I

L

L

I

L

I

I

G

G

A

A

G
|
G

T
x
A

A

S

K

R

A

G

I

V

S

L

L

L

V

P

L

L

K

L

N

S

-

L

-

D

-

C

-

A

P

V

T

T

I

I

L

T

N
|
N

R
|
R

S
x
T

K

V

N

S

R
|
R

F

A

E

E

Y

E

F

L

E

A

K

K

-

L

-

F

-

A

-

H

-

T

K

G

G

S

L

I

K

Q

T

A

Y

L

T

S

W

M

D

D

N

E

I

L

N

E

E

G

F

H

D

E

F

F

D

D

L

L

I

I

N

N

T

A

T
|
T

S
|
S

A
x
S

G

G

L

I

S

S

E

G

E

D

V

I

L

P

P

A

T

I

P

P

K

S

E

S

I

L

I

I

E

H

K

P

L

-

F

-

K

-

N

-

A

G

K

I

F

Y

C

C

V

Y

D

D

V
x
M

I

F

Y

Y

G

Q

K

K

-

G

E

K

T

T

L

P

F

F

L

L

-

A

-

W

-

C

-

E

K

Q

E

R

A

G

K

S

K

K

Y

R

N

N

L

-

F

-

K

A

T

D

G
|
G

L

L

D

G

M
|
M

L
|
L

V

V

Y

A

Q

Q

G

A

V

A

L

H

A

A

M

F

E

L

L

L

F

W

binding nadp nicotinamide-adenine-dinucleotide phosphate: K65 (= K61), D102 (= D97), G128 (= G119), G129 (= G120), A130 (≠ T121), N149 (= N136), R150 (= R137), T151 (≠ S138), R154 (= R141), T188 (= T170), S189 (= S171), S190 (≠ A172), M213 (≠ V199), G237 (= G221), M240 (= M224), L241 (= L225)

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
37% identity, 93% coverage: 1:236/255 of query aligns to 8:250/269 of 2hk9A

query
sites
2hk9A

M

L

Y

Y

A

G

I

V

F

I

G

G

N

F

P

P

V

V

S

K

H

H

S
|
S

K

L

S
|
S

P

P

L

V

M

F

H

Q

N

N

Y

A

F

L

F

I

K

R

K

Y

S

A

G

G

I

L

K

N

E

A

C

V

Y

Y

G

L

R

A

Y

F

K

E

L

I

-

N

-

P

E

E

D

E

G

L

S

K

K

K

I

A

I

F

E

E

K

G

F

F

K

K

N

A

L

L

K

K

L

V

K

K

G

G

A

I

N
|
N

V

V

T

T

V
|
V

P

P

H

F

K
|
K

E

E

W

E

A

I

Y

I

K

P

L

L

C

L

D

D

E

Y

V

V

K

E

G

D

I

T

A

A

K

K

E

E

I

I

K

G

A

A

V

V

N
|
N

T

T

L

V

L

K

L

F

E

E

N

N

N

G

K

K

I

A

I

Y

G

G

Y

Y

N

N

T

T

D
|
D

A

W

P

I

G

G

F

F

-

L

-

K

-

S

-

L

K

K

E

S

A

L

I

I

K

P

E

E

F

V

D

K

Y

E

K

K

K

S

P

I

L

L

I

V

I

L

G

G

A

A

G
|
G

T
x
A

A

S

K

R

A

A

I

V

-

I

-

Y

S

A

L

L

V

V

L

K

K

E

N

G

P

A

T

K

I

V

L

F

-

L

-

W

N
|
N

R
|
R

S
x
T

K

K

N

E

R

K

F

A

E

I

Y

K

F

L

E

A

K

Q

K

K

G

-

L

-

K

-

T

-

Y

F

T

P

W

L

D

E

N

V

I

V

N

N

E

S

F

P

D

E

-

E

-

V

-

I

-

D

-

K

F

V

D

Q

L

V

I

I

I

V

N

N

T

T

T
|
T

S
|
S

A
x
V

G

G

L

L

S

K

E

D

E

E

V

-

L

-

P

-

T

D

P

P

K

E

E

I

I

F

I

N

E

Y

K

D

L

L

F

I

K

K

N

K

A

D

K

H

F

V

C

V

V

V

D

D

V

I

I

I

Y
|
Y

G

-

K

K

E

E

T

T

L

K

F

L

L

L

K

K

E

K

A

A

K

K

K

E

Y

K

N

G

L

A

L

K

F

L

K

L

T

D

G

G

L

L

D

P

M

M

L
|
L

V

L

Y

W

Q
|
Q

G

G

V

I

L

E

A

A

M

F

E

K

L

I

F

W

binding 2'-monophosphoadenosine-5'-diphosphate: V67 (= V58), G132 (= G119), G133 (= G120), A134 (≠ T121), N153 (= N136), R154 (= R137), T155 (≠ S138), T188 (= T170), S189 (= S171), V190 (≠ A172)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S12), S21 (= S14), N64 (= N55), K70 (= K61), N91 (= N82), D106 (= D97), Y216 (= Y201), L239 (= L225), Q242 (= Q228)

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
37% identity, 93% coverage: 1:236/255 of query aligns to 8:250/267 of 2hk9B

query
sites
2hk9B

M

L

Y

Y

A

G

I

V

F

I

G

G

N

F

P

P

V

V

S

K

H

H

S
|
S

K

L

S
|
S

P

P

L

V

M

F

H

Q

N

N

Y

A

F

L

F

I

K

R

K

Y

S

A

G

G

I

L

K

N

E

A

C

V

Y

Y

G

L

R

A

Y

F

K

E

L

I

-

N

-

P

E

E

D

E

G

L

S

K

K

K

I

A

I

F

E

E

K

G

F

F

K

K

N

A

L

L

K

K

L

V

K

K

G

G

A

I

N
|
N

V

V

T
|
T

V
|
V

P

P

H

F

K
|
K

E

E

W

E

A

I

Y

I

K

P

L

L

C

L

D

D

E

Y

V

V

K

E

G

D

I

T

A

A

K

K

E

E

I

I

K

G

A

A

V

V

N
|
N

T

T

L

V

L

K

L

F

E

E

N

N

N

G

K

K

I

A

I

Y

G

G

Y

Y

N

N

T

T

D
|
D

A

W

P

I

G

G

F

F

-

L

-

K

-

S

-

L

K

K

E

S

A

L

I

I

K

P

E

E

F

V

D

K

Y

E

K

K

K

S

P

I

L

L

I

V

I

L

G
|
G

A

A

G

G

G
|
G

T
x
A

A

S

K

R

A

A

I

V

-

I

-

Y

S

A

L

L

V

V

L

K

K

E

N

G

P

A

T

K

I

V

L

F

-

L

-

W

N
|
N

R
|
R

S
x
T

K

K

N

E

R
x
K

F

A

E

I

Y

K

F

L

E

A

K

Q

K

K

G

-

L

-

K

-

T

-

Y

F

T

P

W

L

D

E

N

V

I

V

N

N

E

S

F

P

D

E

-

E

-

V

-

I

-

D

-

K

F

V

D

Q

L

V

I

I

I

V

N

N

T

T

T
|
T

S
|
S

A
x
V

G

G

L

L

S

K

E

D

E

E

V

-

L

-

P

-

T

D

P

P

K

E

E

I

I

F

I

N

E

Y

K

D

L

L

F

I

K

K

N

K

A

D

K

H

F

V

C

V

V

V

D

D

V
x
I

I

I

Y
|
Y

G

-

K

K

E

E

T

T

L

K

F

L

L

L

K

K

E

K

A

A

K

K

K

E

Y

K

N

G

L

A

L

K

F

L

K

L

T

D

G

G

L

L

D

P

M
|
M

L
|
L

V

L

Y

W

Q
|
Q

G

G

V

I

L

E

A

A

M

F

E

K

L

I

F

W

binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (= V58), G130 (= G117), G133 (= G120), A134 (≠ T121), N153 (= N136), R154 (= R137), T155 (≠ S138), K158 (≠ R141), T188 (= T170), S189 (= S171), V190 (≠ A172), I214 (≠ V199), M238 (= M224), L239 (= L225)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S12), S21 (= S14), N64 (= N55), T66 (= T57), K70 (= K61), N91 (= N82), D106 (= D97), Y216 (= Y201), L239 (= L225), Q242 (= Q228)

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
37% identity, 93% coverage: 1:236/255 of query aligns to 8:250/269 of O67049

query
sites
O67049

M

L

Y

Y

A

G

I

V

F

I

G

G

N

F

P

P

V

V

S

K

H

H

S
|
S

K
x
L

S
|
S

P

P

L

V

M

F

H

Q

N

N

Y

A

F

L

F

I

K

R

K

Y

S

A

G

G

I

L

K

N

E

A

C

V

Y

Y

G

L

R

A

Y

F

K

E

L

I

-

N

-

P

E

E

D

E

G

L

S

K

K

K

I

A

I

F

E

E

K

G

F

F

K

K

N

A

L

L

K

K

L

V

K

K

G

G

A

I

N

N

V

V

T

T

V

V

P

P

H

F

K

K

E

E

W

E

A

I

Y

I

K

P

L

L

C

L

D

D

E

Y

V

V

K

E

G
x
D

I

T

A

A

K

K

E

E

I

I

K

G

A

A

V

V

N
|
N

T

T

L

V

L

K

L

F

E

E

N

N

N

G

K

K

I

A

I

Y

G

G

Y

Y

N

N

T

T

D
|
D

A

W

P

I

G

G

F

F

-

L

-

K

-

S

-

L

K

K

E

S

A

L

I

I

K

P

E

E

F

V

D

K

Y

E

K

K

K

S

P

I

L

L

I

V

I

L

G
|
G

A
|
A

G
|
G

T
x
A

A

S

K

R

A

A

I

V

-

I

-

Y

S

A

L

L

V

V

L

K

K

E

N

G

P

A

T

K

I

V

L

F

-

L

-

W

N

N

R

R

S

T

K

K

N

E

R

K

F

A

E

I

Y

K

F

L

E

A

K

Q

K

K

G

-

L

-

K

-

T

-

Y

F

T

P

W

L

D

E

N

V

I

V

N

N

E

S

F

P

D

E

-

E

-

V

-

I

-

D

-

K

F

V

D

Q

L

V

I

I

I

V

N

N

T

T

S

S

A

V

G

G

L

L

S

K

E

D

E

K

V

-

L

-

P

-

T

D

P

P

K

E

E

I

I

F

I

N

E

Y

K

D

L

L

F

I

K

K

N

K

A

D

K

H

F

V

C

V

V

V

D

D

V
x
I

I

I

Y
|
Y

G

-

K

K

E

E

T

T

L

K

F

L

L

L

K

K

E

K

A

A

K

K

K

E

Y

K

N

G

L

A

L

K

F

L

K

F

T

D

G
|
G

L

L

D

P

M

M

L

L

V

L

Y

W

Q
|
Q

G

G

V

I

L

E

A

A

M

F

E

K

L

I

F

W

SLS 19:21 (≠ SKS 12:14) binding shikimate
D82 (≠ G73) binding NADP(+)
N91 (= N82) binding shikimate
D106 (= D97) binding shikimate
GAGGA 130:134 (≠ GAGGT 117:121) binding NADP(+)
I214 (≠ V199) binding NADP(+)
Y216 (= Y201) binding shikimate
G235 (= G221) binding NADP(+)
Q242 (= Q228) binding shikimate

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
31% identity, 100% coverage: 2:255/255 of query aligns to 3:266/269 of Q5HNV1

query
sites
Q5HNV1

Y

F

A

A

I

V

F

I

G

G

N

N

P

P

V

I

S

S

H

H

S
|
S

K
x
L

S
|
S

P

P

L

L

M

M

H

H

N

H

Y

A

F

N

F

F

K

Q

K

S

S

L

G

N

I

L

K

E

E

N

C

T

Y

Y

G

E

R

A

Y

I

K

N

L

V

E

P

D

-

G

-

S

-

K

-

I

-

I

V

E

N

K

Q

F

F

K

Q

N

D

L

I

K

K

-

K

-

I

-

S

-

E

-

K

-

S

L

I

K

D

G

G

A

F

N

N

V

V

T
|
T

V

I

P

P

H

H

K

K

E

E

W

R

A

I

Y

I

K

P

L

Y

C

L

D

D

E

D

V

I

K

N

G

E

I

Q

A

A

K

K

E

S

I

V

K

G

A

A

V

V

N
|
N

T

T

L

V

L

L

L

V

E

K

N

D

N

G

K

K

I

W

I

I

G

G

Y

Y

N

N

T

T

D
|
D

A

G

P

I

G

G

F

Y

K

V

E

N

A

G

I

L

K

K

E

Q

-

I

-

Y

-

E

-

G

F

I

D

E

Y

D

K

A

K

Y

P

I

L

L

I

I

I

L

G

G

A

A

G

G

T

A

A

S

K

K

A

G

I

I

S

A

-

N

-

E

-

L

-

Y

-

K

L

I

V

V

L

R

K

P

N

T

P

L

T

T

I

V

L

A

N

N

R

R

S

T

K

M

N

S

R

R

F

F

E

N

Y

N

F

W

E

S

K

L

K

N

G

I

L

N

K

K

T

I

Y

N

T

L

W

S

D

H

N

A

I

E

N

S

E

H

F

L

D

D

-

E

F

F

D

D

L

I

I

I

N

N

T

T

S

P

A

A

G

G

L

M

S

N

E

G

E

N

V

-

L

-

P

-

T

T

P

D

K

S

E

V

I

I

I

S

E

L

K

N

L

R

F

L

K

A

N

S

A

H

K

T

F

L

C

V

V

S

D

D

V

I

I

V

Y
|
Y

G

N

K

P

-

Y

E

K

T

T

L

P

F

I

L

L

K

I

E

E

A

A

K

E

K

Q

Y

R

N

G

L

N

L

P

F

I

K

Y

T

N

G

G

L

L

D

D

M

M

L

F

V

V

Y

H

Q
|
Q

G

G

V

A

L

E

A

S

M

F

E

K

L

I

F

W

L

T

N

N

K

L

K

E

L

P

N

D

K

I

K

K

E

A

V

M

A

K

D

N

I

I

Y

V

F

I

E

Q

I

K

L

L

R

K

SLS 13:15 (≠ SKS 12:14) binding shikimate
T60 (= T57) binding shikimate
N85 (= N82) binding shikimate
D100 (= D97) binding shikimate
Y211 (= Y201) 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 (= Q228) binding shikimate

2ev9B Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP(h) and shikimate (see paper)
35% identity, 92% coverage: 2:236/255 of query aligns to 4:243/263 of 2ev9B

query
sites
2ev9B

Y

F

A

A

I

V

F

L

G

G

N

H

P

P

V

V

S

A

H

H

S
|
S

K

L

S
|
S

P

P

L

A

M

M

H

H

N

A

Y

F

F

A

F

L

K

E

K

S

S

L

G

G

I

L

K

E

E

G

C

S

Y

Y

G

E

R

A

Y

W

-

D

-

T

K

P

L

L

E

E

D

A

G

L

S

P

K

G

I

R

I

L

E

K

K

E

F

V

K

R

N

R

L

-

K

A

L

F

K

R

G

G

A

V

N
|
N

V

L

T
|
T

V

L

P

P

H

L

K
|
K

E

E

W

A

A

A

Y

L

K

A

L

H

C

L

D

D

E

W

V

V

K

S

G

P

I

E

A

A

K

Q

E

R

I

I

K

G

A

A

V

V

N
|
N

T

T

L

V

L

L

L

Q

E

V

N

E

N

G

K

R

I

L

I

F

G

G

Y

F

N

N

T

T

D
|
D

A

A

P

P

G

G

F

F

K

L

E

E

A

A

I

L

K

K

E

A

-

G

F

I

D

P

Y

L

K

K

K

G

P

P

-

A

L

L

I

V

I

L

G

G

A

A

G

G

T

A

A

G

K

R

A

A

I

V

S

A

L

F

V

A

L

L

K

R

N

E

P

A

T

G

-

L

-

E

-

V

-

W

I

V

L

W

N

N

R

R

S

T

K

P

N

Q

R

R

-

A

F

L

E

A

Y

L

F

A

E

E

K

E

K

F

G

G

L

L

K

R

T

A

Y

V

T

P

W

L

D

E

N

K

I

A

N

R

E

E

F

-

D

-

F

A

D

R

L

L

I

L

I

V

N

N

T

A

T

T

S

R

A

V

G

G

L

L

S

E

E

D

E

-

V

-

L

-

P

P

T

S

P

A

K

S

E

P

I

L

I

P

E

A

K

E

L

L

F

F

K

P

N

E

A

E

K

G

F

A

C

A

V

V

D

D

V

L

I

V

Y

Y

G

R

K

P

-

L

E

W

T

T

L

R

F

F

L

L

K

R

E

E

A

A

K

K

K

A

Y

K

N

G

L

L

L

K

F

V

K

Q

T

T

G

G

L

L

D

P

M

M

L

L

V

A

Y

W

Q
|
Q

G

G

V

A

L

L

A

A

M

F

E

R

L

L

F

W

active site: K64 (= K61), D100 (= D97)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S12), S16 (= S14), N58 (= N55), T60 (= T57), K64 (= K61), N85 (= N82), D100 (= D97), Q235 (= Q228)

Q5SJF8 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8) (see paper)
35% identity, 92% coverage: 2:236/255 of query aligns to 4:243/263 of Q5SJF8

query
sites
Q5SJF8

Y

F

A

A

I

V

F

L

G

G

N

H

P

P

V

V

S

A

H

H

S
|
S

K
x
L

S
|
S

P

P

L

A

M

M

H

H

N

A

Y

F

F

A

F

L

K

E

K

S

S

L

G

G

I

L

K

E

E

G

C

S

Y

Y

G

E

R

A

Y

W

-

D

-

T

K

P

L

L

E

E

D

A

G

L

S

P

K

G

I

R

I

L

E

K

K

E

F

V

K

R

N

R

L

-

K

A

L

F

K

R

G

G

A

V

N

N

V

L

T
|
T

V

L

P

P

H

L

K
|
K

E

E

W

A

A

A

Y

L

K

A

L

H

C

L

D

D

E

W

V

V

K

S

G

P

I

E

A

A

K

Q

E

R

I

I

K

G

A

A

V

V

N
|
N

T

T

L

V

L

L

L

Q

E

V

N

E

N

G

K

R

I

L

I

F

G

G

Y

F

N

N

T

T

D
|
D

A

A

P

P

G

G

F

F

K

L

E

E

A

A

I

L

K

K

E

A

-

G

F

I

D

P

Y

L

K

K

K

G

P

P

-

A

L

L

I

V

I

L

G
|
G

A
|
A

G
|
G

T
x
A

A

G

K

R

A

A

I

V

S

A

L

F

V

A

L

L

K

R

N

E

P

A

T

G

-

L

-

E

-

V

-

W

I

V

L

W

N
|
N

R
|
R

S
x
T

K
x
P

N
x
Q

R
|
R

-

A

F

L

E

A

Y

L

F

A

E

E

K

E

K

F

G

G

L

L

K

R

T

A

Y

V

T

P

W

L

D

E

N

K

I

A

N

R

E

E

F

-

D

-

F

A

D

R

L

L

I

L

I

V

N

N

T

A

T

T

S

R

A

V

G

G

L

L

S

E

E

D

E

-

V

-

L

-

P

P

T

S

P

A

K

S

E

P

I

L

I

P

E

A

K

E

L

L

F

F

K

P

N

E

A

E

K

G

F

A

C

A

V

V

D

D

V
x
L

I

V

Y
|
Y

G

R

K

P

-

L

E

W

T

T

L

R

F

F

L

L

K

R

E

E

A

A

K

K

K

A

Y

K

N

G

L

L

L

K

F

V

K

Q

T

T

G
|
G

L

L

D

P

M

M

L

L

V

A

Y

W

Q
|
Q

G

G

V

A

L

L

A

A

M

F

E

R

L

L

F

W

SLS 14:16 (≠ SKS 12:14) binding shikimate
T60 (= T57) binding shikimate
K64 (= K61) active site, Proton acceptor
N85 (= N82) binding shikimate
D100 (= D97) binding shikimate
GAGGA 123:127 (≠ GAGGT 117:121) binding NADP(+)
NRTPQR 146:151 (≠ NRSKNR 136:141) binding NADP(+)
L205 (≠ V199) binding NADP(+)
Y207 (= Y201) binding shikimate
G228 (= G221) binding NADP(+)
Q235 (= Q228) binding shikimate

2cy0A Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP (see paper)
35% identity, 92% coverage: 2:236/255 of query aligns to 4:243/262 of 2cy0A

query
sites
2cy0A

Y

F

A

A

I

V

F

L

G

G

N

H

P

P

V

V

S

A

H

H

S

S

K

L

S

S

P

P

L

A

M

M

H

H

N

A

Y

F

F

A

F

L

K

E

K

S

S

L

G

G

I

L

K

E

E

G

C

S

Y

Y

G

E

R

A

Y

W

-

D

-

T

K

P

L

L

E

E

D

A

G

L

S

P

K

G

I

R

I

L

E

K

K

E

F

V

K

R

N

R

L

-

K

A

L

F

K

R

G

G

A

V

N

N

V

L

T

T

V

L

P

P

H

L

K
|
K

E

E

W

A

A

A

Y

L

K

A

L

H

C

L

D

D

E

W

V

V

K

S

G

P

I

E

A

A

K

Q

E

R

I

I

K

G

A

A

V

V

N

N

T

T

L

V

L

L

L

Q

E

V

N

E

N

G

K

R

I

L

I

F

G

G

Y

F

N

N

T

T

D
|
D

A

A

P

P

G

G

F

F

K

L

E

E

A

A

I

L

K

K

E

A

-

G

F

I

D

P

Y

L

K

K

K

G

P

P

-

A

L

L

I

V

I

L

G
|
G

A

A

G

G

G
|
G

T
x
A

A

G

K

R

A

A

I

V

S

A

L

F

V

A

L

L

K

R

N

E

P

A

T

G

-

L

-

E

-

V

-

W

I

V

L

W

N
|
N

R
|
R

S
x
T

K

P

N

Q

R
|
R

-

A

F

L

E

A

Y

L

F

A

E

E

K

E

K

F

G

G

L

L

K

R

T

A

Y

V

T

P

W

L

D

E

N

K

I

A

N

R

E

E

F

-

D

-

F

A

D

R

L

L

I

L

I

V

N

N

T

A

T
|
T

S
x
R

A
x
V

G

G

L

L

S

E

E

D

E

-

V

-

L

-

P

P

T

S

P

A

K

S

E

P

I

L

I

P

E

A

K

E

L

L

F

F

K

P

N

E

A

E

K

G

F

A

C

A

V

V

D

D

V
x
L

I

V

Y

Y

G

R

K

P

-

L

E

W

T

T

L

R

F

F

L

L

K

R

E

E

A

A

K

K

K

A

Y

K

N

G

L

L

L

K

F

V

K

Q

T

T

G

G

L

L

D

P

M

M

L
|
L

V

A

Y

W

Q

Q

G

G

V

A

L

L

A

A

M

F

E

R

L

L

F

W

active site: K64 (= K61), D100 (= D97)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G123 (= G117), G126 (= G120), A127 (≠ T121), N146 (= N136), R147 (= R137), T148 (≠ S138), R151 (= R141), T179 (= T170), R180 (≠ S171), V181 (≠ A172), L205 (≠ V199), L232 (= L225)

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
31% identity, 100% coverage: 2:255/255 of query aligns to 3:257/258 of 3dooA

query
sites
3dooA

Y

F

A

A

I

V

F

I

G

G

N

N

P

P

V

I

S

S

H

H

S
|
S

K

L

S
|
S

P

P

L

L

M

M

H

H

N

H

Y

A

F

N

F

F

K

Q

K

S

S

L

G

N

I

L

K

E

E

N

C

T

Y

Y

G

E

R

A

Y

I

K

N

L

V

E

P

D

-

G

-

S

-

K

-

I

-

I

V

E

N

K

Q

F

F

K

Q

N

D

L

I

K

K

-

K

-

I

-

S

-

E

-

K

-

S

L

I

K

D

G

G

A

F

N
|
N

V

V

T
|
T

V

I

P

P

H

H

K
|
K

E

E

W

R

A

I

Y

I

K

P

L

Y

C

L

D

D

E

D

V

I

K

N

G

E

I

Q

A

A

K

K

E

S

I

V

K

G

A

A

V

V

N
|
N

T

T

L

V

L

L

L

V

E

K

N

D

N

G

K

K

I

W

I

I

G

G

Y

Y

N

N

T

T

D
|
D

A

G

P

I

G

G

F

Y

K

V

E

N

A

G

I

L

K

K

E

Q

-

I

-

Y

-

E

-

G

F

I

D

E

Y

D

K

A

K

Y

P

I

L

L

I

I

I

L

G

G

A

A

G

G

T

A

A

S

K

K

A

G

I

I

S

A

-

N

-

E

-

L

-

Y

-

K

L

I

V

V

L

R

K

P

N

T

P

L

T

T

I

V

L

A

N

N

R

R

S

T

K

M

N

S

R

R

F

F

E

N

Y

N

F

W

E

S

K

L

K

N

G

I

L

N

K

K

T

I

Y

N

T

L

W

S

D

H

N

A

I

E

N

S

E

H

F

L

D

D

-

E

F

F

D

D

L

I

I

I

N

N

T

T

T

-

S

-

A

-

G

-

L

-

S

-

E

-

V

-

L

-

P

-

T

T

P

P

K

V

E

I

I

S

I

L

E

N

K

R

L

L

F

A

K

S

N

H

A

T

K

-

F

L

C

V

V

S

D

D

V

I

I

V

Y

Y

G

N

K

P

-

Y

E

K

T

T

L

P

F

I

L

L

K

I

E

E

A

A

K

E

K

Q

Y

R

N

G

L

N

L

P

F

I

K

Y

T

N

G

G

L

L

D

D

M

M

L
x
F

V

V

Y

H

Q
|
Q

G

G

V

A

L

E

A

S

M

F

E

K

L

I

F

W

L

T

N

N

K

L

K

E

L

P

N

D

K

I

K

K

E

A

V

M

A

K

D

N

I

I

Y

V

F

I

E

Q

I

K

L

L

R

K

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S13 (= S12), S15 (= S14), N58 (= N55), T60 (= T57), K64 (= K61), N85 (= N82), D100 (= D97), F227 (≠ L225), Q230 (= Q228)

2o7qA Crystal structure of the a. Thaliana dhq-dehydroshikimate-sdh- shikimate-NADP(h)
33% identity, 100% coverage: 1:254/255 of query aligns to 236:489/501 of 2o7qA

query
sites
2o7qA

M

V

Y

Y

A

G

I
|
I

F

I

G

G

N

K

P

P

V

V

S

S

H

H

S
|
S

K

K

S
|
S

P

P

L

I

M

V

H

H

N

N

Y

Q

F

A

F

F

K

K

K

S

S

V

G

D

I

F

K

N

E

G

C

V

Y

Y

G

V

R

H

Y

L

K

L

L

V

E

D

D

N

G

L

S

V

K

S

I

F

I

L

E

Q

K

A

F

Y

K

S

N

S

L

S

K

D

L

F

K

A

G

G

A

F

N

S

V

C

T
|
T

V

I

P

P

H

H

K
|
K

E

E

W

A

A

A

Y

L

K

Q

L

C

C

C

D

D

E

E

V

V

K

D

G

P

I

L

A

A

K

K

E

S

I

I

K

G

A

A

V

V

N

N

T

T

L

I

L

L

L

R

E

R

-

K

-

S

N

D

N

G

K

K

I

L

G

G

Y

Y

N

N

T

T

D
|
D

A

C

P

I

G

G

F

S

K

I

E

S

A

A

I

I

K

E

E

-

F

-

D

D

Y

G

K

L

K

T

P

V

L

V

I

V

I

I

G

G

A

A

G

G

T

A

A

G

K

K

A

A

I

L

S

A

L

Y

V

G

L

A

K

K

N

E

P

K

T

A

-

K

-

V

I

I

L

A

N

N

R

R

S

T

K

Y

N

E

R

R

-

A

F

L

E

E

Y

L

F

A

E

E

K

A

K

I

G

G

L

G

K

K

T

A

Y

L

T

S

W

L

D

T

N

D

I

L

N

D

E

N

F

Y

D

E

F

D

D

G

L

M

I

V

I

L

-

A

N

N

T

T

S

S

A

M

G

G

L

M

S

Q

E

P

E

N

V

V

L

E

P

E

T

T

P

P

K

-

E

-

I

I

I

S

E

K

K

D

L

A

F

L

K

K

N

H

A

Y

K

A

F

L

C

V

V

F

D

D

V

A

I

V

Y
|
Y

G

T

K

P

E

R

-

I

T

T

L

R

F

L

L

L

K

R

E

E

A

A

K

E

Y

S

N

G

L

A

L

I

F

T

K

V

T

S

G

G

L

S

D

E

M

M

L
x
F

V

V

Y

R

Q
|
Q

G

A

V

Y

L

E

A
x
Q

M

F

E

E

L

I

F

F

L

T

N

G

K

L

K

P

L

A

N

P

K

K

K

-

E

-

V

-

A

-

D

E

I

L

Y

Y

F

W

E

Q

I

I

L

M

binding 3-dehydroshikimate: I239 (= I4), S247 (= S12), S249 (= S14), T292 (= T57), K296 (= K61), D334 (= D97), Y439 (= Y201), F464 (≠ L225), Q467 (= Q228), Q471 (≠ A232)

Sites not aligning to the query:

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

Q9KVT3 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
32% identity, 96% coverage: 2:246/255 of query aligns to 8:266/278 of Q9KVT3

query
sites
Q9KVT3

Y

Y

A

A

I

V

F

F

G

G

N

N

P

P

V

I

S

N

H

H

S
|
S

K
|
K

S
|
S

P

P

L

F

M

I

H

H

N

T

Y

L

F

F

F

A

K

R

K

Q

S

T

G

Q

I

Q

K

S

E

M

C

I

Y

Y

G

T

R

A

Y

Q

K

C

L

V

E

P

-

V

D

D

G

G

-

F

S

T

K

E

I

A

E

K

K

H

F

F

K

F

N

A

L

Q

K

G

L

G

K

R

G

G

A

C

N

N

V

V

T

T

V

V

P

P

H

F

K

K

E

E

W

E

A

A

Y

Y

K

R

L

F

C

A

D

D

E

R

V

L

K

T

G

E

I

R

A

A

K

R

E

L

I

A

K

G

A

A

V

V

N
|
N

T

T

L

L

-

K

L

K

L

L

E

D

N

D

N

G

K

E

I

I

I

L

G

G

Y

D

N

N

T

T

D
|
D

A

G

P

E

G

G

F

L

K

V

E

Q

A

D

I

L

-

L

-

A

K

Q

E

Q

F

V

D

L

Y

L

K

K

K

G

P

A

-

T

-

I

L

L

I

L

I

I

G

G

A

A

G

G

T

A

A

A

K

R

A

G

I

V

-

L

-

K

S

P

L

L

V

L

L

D

K

Q

N

Q

P

P

-

A

-

S

-

I

T

T

I

V

L

T

N
|
N

R
|
R

S
x
T

K
x
F

N
x
A

R
x
K

F

A

E

E

Y

Q

F

L

E

A

K

E

-

L

-

V

-

A

-

Y

K

G

G

E

L

V

K

K

T

A

Y

Q

T

A

W

F

D

E

N

Q

I

L

N

K

E

Q

F

-

D

S

F

Y

D

D

L

V

I

I

N

N

T

S

T

T

S

S

A

A

G

S

L

L

S

D

E

G

E

E

V

-

L

L

P

P

T

A

P

I

K

D

E

P

I

V

I

I

E

-

K

-

L

-

F

F

K

S

N

S

A

R

K

S

F

V

C

C

V

Y

D

D

V

M

I

M

Y

Y

G

G

K

K

E

G

-

Y

T

T

L

V

F

F

L

N

K

Q

E

W

A

A

K

R

K

Q

Y

H

N

G

L

C

L

A

F

Q

K

A

T

I

-

D

G

G

L

L

D

G

M

M

L

L

V

V

Y

G

Q
|
Q

G

A

V

A

L

E

A

S

M

F

E

M

L

L

F

W

L

R

N

G

K

L

K

R

L

P

N

G

K

T

K

K

E

Q

V

I

SKS 18:20 (= SKS 12:14) binding shikimate
N90 (= N82) binding shikimate
D106 (= D97) binding shikimate
NRTFAK 154:159 (≠ NRSKNR 136:141) binding NADP(+)
Q248 (= Q228) binding shikimate

3pgjA 2.49 angstrom resolution crystal structure of shikimate 5- dehydrogenase (aroe) from vibrio cholerae o1 biovar eltor str. N16961 in complex with shikimate
32% identity, 96% coverage: 2:246/255 of query aligns to 4:262/272 of 3pgjA

query
sites
3pgjA

Y

Y

A

A

I

V

F

F

G

G

N

N

P

P

V

I

S

N

H

H

S
|
S

K

K

S
|
S

P

P

L

F

M

I

H

H

N

T

Y

L

F

F

F

A

K

R

K

Q

S

T

G

Q

I

Q

K

S

E

M

C

I

Y

Y

G

T

R

A

Y

Q

K

C

L

V

E

P

-

V

D

D

G

G

-

F

S

T

K

E

I

A

E

K

K

H

F

F

K

F

N

A

L

Q

K

G

L

G

K

R

G

G

A

C

N
|
N

V

V

T
|
T

V

V

P

P

H

F

K
|
K

E

E

W

E

A

A

Y

Y

K

R

L

F

C

A

D

D

E

R

V

L

K

T

G

E

I

R

A

A

K

R

E

L

I

A

K

G

A

A

V

V

N
|
N

T

T

L

L

-

K

L

K

L

L

E

D

N

D

N

G

K

E

I

I

I

L

G

G

Y

D

N

N

T

T

D
|
D

A

G

P

E

G

G

F

L

K

V

E

Q

A

D

I

L

-

L

-

A

K

Q

E

Q

F

V

D

L

Y

L

K

K

K

G

P

A

-

T

-

I

L

L

I

L

I

I

G

G

A

A

G

G

T

A

A

A

K

R

A

G

I

V

-

L

-

K

S

P

L

L

V

L

L

D

K

Q

N

Q

P

P

-

A

-

S

-

I

T

T

I

V

L

T

N

N

R

R

S

T

K

F

N

A

R

K

F

A

E

E

Y

Q

F

L

E

A

K

E

-

L

-

V

-

A

-

Y

K

G

G

E

L

V

K

K

T

A

Y

Q

T

A

W

F

D

E

N

Q

I

L

N

K

E

Q

F

-

D

S

F

Y

D

D

L

V

I

I

N

N

T

S

T

T

S

S

A

A

G

S

L

L

S

D

E

G

E

E

V

-

L

L

P

P

T

A

P

I

K

D

E

P

I

V

I

I

E

-

K

-

L

-

F

F

K

S

N

S

A

R

K

S

F

V

C

C

V

Y

D

D

V

M

I

M

Y

Y

G

G

K

K

E

G

-

Y

T

T

L

V

F

F

L

N

K

Q

E

W

A

A

K

R

K

Q

Y

H

N

G

L

C

L

A

F

Q

K

A

T

I

-

D

G

G

L

L

D

G

M

M

L

L

V

V

Y

G

Q
|
Q

G

A

V

A

L

E

A

S

M

F

E

M

L

L

F

W

L

R

N

G

K

L

K

R

L

P

N

G

K

T

K

K

E

Q

V

I

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S12), S16 (= S14), N59 (= N55), T61 (= T57), K65 (= K61), N86 (= N82), D102 (= D97), Q244 (= Q228)

2o7sA Crystal structure of the a. Thaliana dhq-dehydroshikimate-sdh- shikimate-NADP(h)
34% identity, 100% coverage: 1:254/255 of query aligns to 236:488/500 of 2o7sA

query
sites
2o7sA

M

V

Y

Y

A

G

I
|
I

F

I

G

G

N

K

P

P

V

V

S

S

H

H

S
|
S

K

K

S
|
S

P

P

L

I

M

V

H

H

N

N

Y

Q

F

A

F

F

K

K

K

S

S

V

G

D

I

F

K

N

E

G

C

V

Y

Y

G

V

R

H

Y

L

K

L

L

V

E

D

D

N

G

L

S

V

K

S

I

F

I

L

E

Q

K

A

F

Y

K

S

N

S

L

S

K

D

L

F

K

A

G

G

A

F

N

S

V

C

T
|
T

V
x
I

P
|
P

H

H

K
|
K

E

E

W

A

A

A

Y

L

K

Q

L

C

C

C

D

D

E

E

V

V

K

D

G

P

I

L

A

A

K

K

E

S

I

I

K

G

A

A

V

V

N
|
N

T

T

L

I

L

L

L

R

-

R

-

K

E

S

N

D

N

G

K

K

I

L

G

G

Y

Y

N

N

T

T

D
|
D

A

C

P

I

G

G

F

S

K

I

E

S

A

A

I

I

K

E

E

-

F

-

D

D

Y

G

K

L

K

T

P

V

L

V

I

V

I

I

G

G

A

A

G
|
G

T
x
A

A

G

K

K

A

A

I

L

S

A

L

Y

V

G

L

A

K

K

N

E

P

K

-

G

-

A

-

V

T

V

I

I

L

A

N
|
N

R
|
R

S
x
T

K

Y

N

E

R
|
R

-

A

F

L

E

E

Y

L

F

A

E

E

K

A

K

I

G

G

L

G

K

A

T

L

Y

S

T

L

W

T

D

D

N

L

I

D

N

N

E

Y

F

E

D

D

F

G

D

M

L

V

I

L

I

A

N

N

T

T

T
|
T

S
|
S

A
x
M

G

G

L

M

S

Q

E

P

E

N

V

V

L

E

P

E

T

T

P

P

K

-

E

-

I

I

I

S

E

K

K

D

L

A

F

L

K

K

N

H

A

Y

K

A

F

L

C

V

V

F

D

D

V
x
A

I

V

Y
|
Y

G

T

K

P

E

R

-

I

T

T

L

R

F

L

L

L

K

R

E

E

A

A

K

E

Y

S

N

G

L

A

L

I

F

T

K

V

T

S

G

G

L

S

D

E

M
|
M

L
x
F

V

V

Y

R

Q
|
Q

G

A

V

Y

L

E

A
x
Q

M

F

E

E

L

I

F

F

L

T

N

G

K

L

K

P

L

A

N

P

K

K

K

-

E

-

V

-

A

-

D

E

I

L

Y

Y

F

W

E

Q

I

I

L

M

binding 3-dehydroshikimate: I239 (= I4), S247 (= S12), S249 (= S14), T292 (= T57), K296 (= K61), N317 (= N82), D334 (= D97), Y438 (= Y201), Q466 (= Q228), Q470 (≠ A232)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I293 (≠ V58), P294 (= P59), K296 (= K61), D334 (= D97), G354 (= G119), G355 (= G120), A356 (≠ T121), N374 (= N136), R375 (= R137), T376 (≠ S138), R379 (= R141), T409 (= T170), S410 (= S171), M411 (≠ A172), A436 (≠ V199), M462 (= M224), F463 (≠ L225)

Sites not aligning to the query:

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

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)
34% identity, 93% coverage: 1:236/255 of query aligns to 8:262/282 of Q58484

query
sites
Q58484

M

V

Y

I

A

G

I

L

F

I

G

G

N

H

P

P

V

V

S

E

H

H

S

S

K

F

S

S

P

P

L

I

M

M

H

H

N

N

Y

A

F

A

F

F

K

K

K

D

S

K

G

G

I

L

K

N

E

Y

C

V

Y

Y

G

V

R

A

Y

F

K

D

L

V

-

L

-

P

E

E

D

N

G

L

S

K

K

Y

I

V

I

I

E

D

K

G

F

A

K

K

N

A

L

L

K

G

L

I

K

V

G

G

A

F

N

N

V

V

T

T

V

I

P

P

H

H

K

K

E

I

W

E

A

I

Y

M

K

K

L

Y

C

L

D

D

E

E

V

I

K

D

G

K

I

D

A

A

K

Q

E

L

I

I

K

G

A

A

V

V

N

N

T

T

L

I

L

K

L

I

E

E

N

D

N

G

K

K

I

A

I

I

G

G

Y

Y

N

N

T

T

D

D

A

G

P

I

G

G

F

A

K

R

E

M

A

A

I

L

K

E

E

E

F

E

D

I

Y

G

K

R

-

V

-

K

-

D

K

K

P

N

L

I

I

V

I

I

G

Y

A
x
G

G
x
A

G
|
G

T
x
G

-
x
A

-

A

-

R

-

A

-

V

-

A

-

F

-

E

-

L

A

A

K

K

A

D

I

N

S

N

L

I

V

I

L

I

K

A

N
|
N

P
x
R

T
|
T

I
x
V

L
x
E

N
x
K

R

A

S

E

K

A

N

L

R

A

F

K

E

E

Y

I

F

A

E

E

K

K

K

L

G

N

L

K

K

K

-

F

-

G

-

E

-

V

T

K

Y

F

T

S

W

G

D

L

N

D

I

V

N

D

E

L

F

D

D

G

F

V

D

D

L

I

I

I

N

N

T

A

T
|
T

S

P

A

I

G

G

L
x
M

S

Y

E

P

E

N

V

I

L

D

P

V

T

E

P

P

K

I

E

V

I

K

I

A

E

E

K

K

L

L

F

R

K

E

N

D

A

M

K

-

F

V

C

V

V

M

D

D

V
x
L

I

I

Y

Y

G

N

K

P

-

L

E

E

T

T

L

V

F

L

L

L

K

K

E

E

A

A

K

K

Y

V

N

N

L

A

L

K

F

T

K

I

T

N

G

G

L

L

D

G

M

M

L

L

V

I

Y

Y

Q

Q

G

G

V

A

L

V

A

A

M

F

E

K

L

I

F

W

GAGGA 130:134 (≠ AGGT- 118:121) binding NADP(+)
NRTVEK 152:157 (≠ NPTILN 131:136) binding NADP(+)
T196 (= T170) binding NADP(+)
M200 (≠ L174) binding NADP(+)
L224 (≠ V199) binding NADP(+)

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
34% identity, 93% coverage: 1:236/255 of query aligns to 13:267/287 of 1nvtB

query
sites
1nvtB

M

V

Y

I

A

G

I

L

F

I

G

G

N

H

P

P

V

V

S
x
E

H
|
H

S

S

K

F

S

S

P

P

L

I

M

M

H

H

N

N

Y

A

F

A

F

F

K

K

K

D

S

K

G

G

I

L

K

N

E

Y

C

V

Y

Y

G

V

R

A

Y

F

K

D

L

V

-

L

-

P

E

E

D

N

G

L

S

K

K

Y

I

V

I

I

E

D

K

G

F

A

K

K

N

A

L

L

K

G

L

I

K

V

G

G

A

F

N

N

V

V

T

T

V
x
I

P

P

H

H

K
|
K

E

I

W

E

A

I

Y

M

K

K

L

Y

C

L

D

D

E

E

V

I

K

D

G

K

I

D

A

A

K

Q

E

L

I

I

K

G

A

A

V

V

N

N

T

T

L

I

L

K

L

I

E

E

N

D

N

G

K

K

I

A

I

I

G

G

Y

Y

N

N

T

T

D
|
D

A

G

P

I

G

G

F

A

K

R

E

M

A

A

I

L

K

E

E

E

F

E

D

I

Y

G

K

R

-

V

-

K

-

D

K

K

P

N

L

I

I

V

I

I

G

Y

A
x
G

G

A

G
|
G

T
x
G

-
x
A

-

A

-

R

-

A

-

V

-

A

-

F

-

E

-

L

A

A

K

K

A

D

I

N

S

N

L

I

V

I

L

I

K

A

N
|
N

P
x
R

T
|
T

I

V

L

E

N
x
K

R

A

S

E

K

A

N

L

R

A

F

K

E

E

Y

I

F

A

E

E

K

K

K

L

G

N

L

K

K

K

-

F

-

G

-

E

-

V

T

K

Y

F

T

S

W

G

D

L

N

D

I

V

N

D

E

L

F

D

D

G

F

V

D

D

L

I

I

I

N

N

T
x
A

T
|
T

S
x
P

A
x
I

G

G

L
x
M

S

Y

E

P

E

N

V

I

L

D

P

V

T

E

P

P

K

I

E

V

I

K

I

A

E

E

K

K

L

L

F

R

K

E

N

D

A

M

K

-

F

V

C

V

V

M

D

D

V
x
L

I

I

Y
|
Y

G

N

K

P

-

L

E

E

T

T

L

V

F

L

L

L

K

K

E

E

A

A

K

K

Y

V

N

N

L

A

L

K

F

T

K

I

T

N

G

G

L

L

D

G

M
|
M

L
|
L

V

I

Y

Y

Q

Q

G

G

V

A

L

V

A

A

M

F

E

K

L

I

F

W

active site: K75 (= K61), D111 (= D97)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I72 (≠ V58), G135 (≠ A118), G137 (= G120), G138 (≠ T121), A139 (vs. gap), N157 (= N131), R158 (≠ P132), T159 (= T133), K162 (≠ N136), A200 (≠ T169), T201 (= T170), P202 (≠ S171), I203 (≠ A172), M205 (≠ L174), L229 (≠ V199), Y231 (= Y201), M255 (= M224), L256 (= L225)
binding zinc ion: E22 (≠ S10), H23 (= H11)

Query Sequence

>WP_007472824.1 NCBI__GCF_000170735.1:WP_007472824.1
MYAIFGNPVSHSKSPLMHNYFFKKSGIKECYGRYKLEDGSKIIEKFKNLKLKGANVTVPH
KEWAYKLCDEVKGIAKEIKAVNTLLLENNKIIGYNTDAPGFKEAIKEFDYKKPLIIGAGG
TAKAISLVLKNPTILNRSKNRFEYFEKKGLKTYTWDNINEFDFDLIINTTSAGLSEEVLP
TPKEIIEKLFKNAKFCVDVIYGKETLFLKEAKKYNLLFKTGLDMLVYQGVLAMELFLNKK
LNKKEVADIYFEILR

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