SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012401996.1 NCBI__GCF_000020045.1:WP_012401996.1 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)

Q9KVT3 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
51% identity, 95% coverage: 10:285/290 of query aligns to 6:275/278 of Q9KVT3

query
sites
Q9KVT3

D

D

K

Q

Y

Y

A

A

V

V

I

F

G

G

N

N

P

P

I

I

A

N

H

H

S
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S

K
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K

S
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S

P

P

L

F

I

I

H

H

A

T

Q

L

F

F

A

A

E

R

Q

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M

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I

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Y

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C

A

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P

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V

D

D

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T

A

E

H

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R

K

A

H

F

F

I

F

D

A

E

Q

G

G

R

R

G

G

M

C

N

N

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V

T

T

V

V

P

P

F

F

K

K

L

E

D

E

A

A

H

Y

A

R

F

F

A

A

T

D

V

R

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L

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T

P

E

R

R

A

A

A

R

A

L

A

A

G

G

A

A

V

V

N
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T

L

L

R

K

F

K

E

L

K

D

D

D

G

G

G

E

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Y

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G

D

D

N

N

T

T

D
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D

G

G

F

E

G

G

L

L

V

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Q

D

D

I

L

E

-

V

L

N

A

L

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G

Q

V

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P

L

L

L

A

K

G

G

A

A

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I

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L

L

I

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G

A

A

G

G

A

A

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R

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G

V

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V

L

L

K

P

P

M

L

L

L

E

D

R

Q

N

Q

P

P

H

A

S

S

L

I

T

T

I

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V

T

N
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N

R
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R

T
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T

A
x
F

S
x
A

K
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K

A

A

H

E

E

Q

L

L

V

A

A

E

Q

L

F

V

A

A

N

A

G

Y

A

G

S

E

A

V

A

-

C

-

R

-

L

-

T

-

G

-

S

K

A

A

Q

Q

A

A

I

F

E

E

-

Q

-

L

A

K

G

Q

A

S

Y

Y

D

D

V

V

I

I

V

I

N

N

A

S

T

T

A

S

S

A

S

S

L

L

D

D

A

G

S

E

L

L

P

P

E

A

C

I

D

D

D

P

G

V

A

I

F

F

G

S

T

S

G

R

T

S

L

V

A

C

Y

Y

D

D

M

M

Y

Y

G

G

A

K

Q

G

P

Y

T

T

V

V

F

F

M

N

Q

Q

H

W

A

A

S

R

R

Q

L

H

G

G

-

C

A

A

R

Q

A

A

A

I

D

D

G

G

L

L

G

G

M

M

L

L

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E

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Q

A

A

E

E

S

S

F

F

F

M

V

L

W

W

R

R

G

G

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L

R

R

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P

D

G

G

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A

K

P

Q

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L

L

A

R

A

E

L

L

R

R

E

K

M

N

L

L

R

E

SKS 18:20 (= SKS 22:24) binding shikimate
N90 (= N94) binding shikimate
D106 (= D110) binding shikimate
NRTFAK 154:159 (≠ NRTASK 159:164) binding NADP(+)
Q248 (= Q258) 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
51% identity, 95% coverage: 10:285/290 of query aligns to 2:271/272 of 3pgjA

query
sites
3pgjA

D

D

K

Q

Y

Y

A

A

V

V

I

F

G

G

N

N

P

P

I

I

A

N

H

H

S
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S

K

K

S
|
S

P

P

L

F

I

I

H

H

A

T

Q

L

F

F

A

A

E

R

Q

Q

T

T

G

Q

Q

Q

P

S

V

M

E

I

Y

Y

G

T

R

A

L

Q

L

C

A

V

P

P

V

V

D

D

Q

G

F

F

V

T

A

E

H

A

V

A

R

K

A

H

F

F

I

F

D

A

E

Q

G

G

R

R

G

G

M

C

N
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N

V

V

T
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T

V

V

P

P

F

F

K
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K

L

E

D

E

A

A

H

Y

A

R

F

F

A

A

T

D

V

R

L

L

S

T

P

E

R

R

A

A

A

R

A

L

A

A

G

G

A

A

V

V

N
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N

T

T

L

L

R

K

F

K

E

L

K

D

D

D

G

G

G

E

V

I

Y

L

G

G

D

D

N

N

T

T

D
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D

G

G

F

E

G

G

L

L

V

V

R

Q

D

D

I

L

E

-

V

L

N

A

L

Q

G

Q

V

V

P

L

L

L

A

K

G

G

A

A

R

T

V

I

L

L

L

I

G

G

A

A

G

G

A

A

R

R

G

G

V

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V

L

L

K

P

P

M

L

L

L

E

D

R

Q

N

Q

P

P

H

A

S

S

L

I

T

T

I

V

V

T

N

N

R

R

T

T

A

F

S

A

K

K

A

A

H

E

E

Q

L

L

V

A

A

E

Q

L

F

V

A

A

N

A

G

Y

A

G

S

E

A

V

A

-

C

-

R

-

L

-

T

-

G

-

S

K

A

A

Q

Q

A

A

I

F

E

E

-

Q

-

L

A

K

G

Q

A

S

Y

Y

D

D

V

V

I

I

V

I

N

N

A

S

T

T

A

S

S

A

S

S

L

L

D

D

A

G

S

E

L

L

P

P

E

A

C

I

D

D

D

P

G

V

A

I

F

F

G

S

T

S

G

R

T

S

L

V

A

C

Y

Y

D

D

M

M

Y

Y

G

G

A

K

Q

G

P

Y

T

T

V

V

F

F

M

N

Q

Q

H

W

A

A

S

R

R

Q

L

H

G

G

-

C

A

A

R

Q

A

A

A

I

D

D

G

G

L

L

G

G

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M

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L

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E

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Q
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Q

A

A

E

E

S

S

F

F

F

M

V

L

W

W

R

R

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G

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P

D

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K

P

Q

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L

L

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E

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M

N

L

L

R

E

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S22), S16 (= S24), N59 (= N67), T61 (= T69), K65 (= K73), N86 (= N94), D102 (= D110), Q244 (= Q258)

P15770 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Escherichia coli (strain K12) (see paper)
48% identity, 96% coverage: 10:286/290 of query aligns to 2:272/272 of P15770

query
sites
P15770

D

E

K

T

Y

Y

A

A

V

V

I

F

G

G

N

N

P

P

I

I

A

A

H

H

S

S

K

K

S

S

P

P

L

F

I

I

H

H

A

Q

Q

Q

F

F

A

A

E

Q

Q

Q

T

L

G

N

Q

I

P

E

V

H

E

P

Y

Y

G

G

R

R

L

V

L

L

A

A

P

P

V

I

D

N

Q

D

F

F

V

I

A

N

H

T

V

L

R

N

A

A

F

F

I

F

D

S

E

A

G

G

R

K

G

G

M

A

N

N

V

V

T

T

V

V

P

P

F

F

K

K

L

E

D

E

A

A

H

F

A

A

F

R

A

A

T

D

V

E

L

L

S

T

P

E

R

R

A

A

A

L

A

A

G

G

A

A

V

V

N

N

T

T

L

L

R

M

F

R

E

L

K

E

D

D

G

G

G

R

V

L

Y

L

G

G

D

D

N

N

T

T

D

D

G

G

F

V

G

G

L

L

V

L

R

S

D

D

I

L

E

E

V

-

N

R

L

L

G

S

V

F

P

I

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A

P

G

G

A

L

R

R

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I

L

L

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I

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G

A
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A

G
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G

A
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A

A

S

R

R

G

G

V

V

V

L

L

L

P

P

M

L

L

L

E

S

R

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D

P

C

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-

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T

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N

R
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R

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T

A
x
V

S
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S

K
x
R

A

A

H

E

E

E

L

L

V

A

A

K

Q

L

F

F

A

A

N

H

G

T

A

G

S

S

A

I

A

Q

A

A

C

L

R

-

L

-

T

-

G

-

S

S

A

M

Q

D

A

E

I

L

E

E

A

G

G

H

A

E

Y

F

D

D

V

L

I

I

V

I

N

N

A

A

T

T

A

S

S

S

S

G

L

I

D

S

A

G

S

D

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P

E

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C

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P

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S

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G

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Y

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M
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M

M

F

Y

Y

G

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K

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G

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F

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A

H

W

A

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L

R

G

G

A

S

-

K

R

R

A

N

A

A

D

D

G
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G

L

L

G

G

M

M

L

L

V

V

E

A

Q

Q

A

A

E

H

S

A

F

F

F

L

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L

W

W

R

H

G

G

V

V

R

L

P

P

D

D

G

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A

E

P

P

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K

A

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L

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E

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M

E

L

L

R

S

A

A

GAGGA 126:130 (= GAGGA 135:139) binding NADP(+)
NRTVSR 149:154 (≠ NRTASK 159:164) binding NADP(+)
M213 (= M228) binding NADP(+)
G237 (= G251) binding NADP(+)

1nytA Shikimate dehydrogenase aroe complexed with NADP+ (see paper)
48% identity, 95% coverage: 10:284/290 of query aligns to 2:270/271 of 1nytA

query
sites
1nytA

D

E

K

T

Y

Y

A

A

V

V

I

F

G

G

N

N

P

P

I

I

A

A

H

H

S

S

K

K

S

S

P

P

L

F

I

I

H

H

A

Q

Q

Q

F

F

A

A

E

Q

Q

Q

T

L

G

N

Q

I

P

E

V

H

E

P

Y

Y

G

G

R

R

L

V

L

L

A

A

P

P

V

I

D

N

Q

D

F

F

V

I

A

N

H

T

V

L

R

N

A

A

F

F

I

F

D

S

E

A

G

G

R

K

G

G

M

A

N

N

V

V

T

T

V

V

P

P

F

F

K
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K

L

E

D

E

A

A

H

F

A

A

F

R

A

A

T

D

V

E

L

L

S

T

P

E

R

R

A

A

A

L

A

A

G

G

A

A

V

V

N

N

T

T

L

L

R

M

F

R

E

L

K

E

D

D

G

G

G

R

V

L

Y

L

G

G

D

D

N

N

T

T

D
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D

G

G

F

V

G

G

L

L

V

L

R

S

D

D

I

L

E

E

V

-

N

R

L

L

G

S

V

F

P

I

L

R

A

P

G

G

A

L

R

R

V

I

L

L

L

I

G

G

A

A

G
|
G

A
|
A

A

S

R

R

G

G

V

V

V

L

L

L

P

P

M

L

L

L

E

S

R

L

N

D

P

C

H

-

S

A

L

V

T

T

I

I

V

T

N
|
N

R
|
R

T
|
T

A

V

S

S

K
x
R

A

A

H

E

E

E

L

L

V

A

A

K

Q

L

F

F

A

A

N

H

G

T

A

G

S

S

A

I

A

Q

A

A

C

L

R

-

L

-

T

-

G

-

S

S

A

M

Q

D

A

E

I

L

E

E

A

G

G

H

A

E

Y

F

D

D

V

L

I

I

V

I

N

N

A

A

T
|
T

A
x
S

S
|
S

S

G

L

I

D

S

A

G

S

D

L

I

P

P

E

A

C

I

D

P

D

S

G

S

A

L

F

I

G

H

T

P

G

G

T

I

L

Y

A

C

Y

Y

D

D

M
|
M

M

F

Y

Y

G

Q

A

K

Q

G

P

K

T

T

V

P

F

F

M

L

Q

A

H

W

A

C

S

E

R

Q

L

R

G

G

A

S

-

K

R

R

A

N

A

A

D

D

G
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G

L

L

G

G

M
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M

L
|
L

V

V

E

A

Q

Q

A

A

E

H

S

A

F

F

F

L

V

L

W

W

R

H

G

G

V

V

R

L

P

P

D

D

G

V

A

E

P

P

V

V

L

I

A

K

A

Q

L

L

R

Q

E

E

M

E

L

L

binding nadp nicotinamide-adenine-dinucleotide phosphate: K65 (= K73), D102 (= D110), G128 (= G137), G129 (= G138), A130 (= A139), N149 (= N159), R150 (= R160), T151 (= T161), R154 (≠ K164), T188 (= T203), S189 (≠ A204), S190 (= S205), M213 (= M228), G237 (= G251), M240 (= M254), L241 (= L255)

3sefA 2.4 angstrom resolution crystal structure of shikimate 5-dehydrogenase (aroe) from vibrio cholerae o1 biovar eltor str. N16961 in complex with shikimate and NADPH
50% identity, 95% coverage: 10:284/290 of query aligns to 2:266/268 of 3sefA

query
sites
3sefA

D

D

K

Q

Y

Y

A

A

V

V

I

F

G

G

N

N

P

P

I

-

A

-

H

-

S

S

K

K

S

S

P

P

L

F

I

I

H

H

A

T

Q

L

F

F

A

A

E

R

Q

Q

T

T

G

Q

Q

Q

P

S

V

M

E

I

Y

Y

G

T

R

A

L

Q

L

C

A

V

P

P

V

-

D

D

Q

G

F

F

V

T

A

E

H

A

V

A

R

K

A

H

F

F

I

F

D

A

E

Q

G

G

R

R

G

G

M

C

N

N

V

V

T

T

V

V

P

P

F

F

K

K

L

E

D

E

A

A

H

Y

A

R

F

F

A

A

T

D

V

R

L

L

S

T

P

E

R

R

A

A

A

R

A

L

A

A

G

G

A

A

V

V

N

N

T

T

L

L

R

K

F

K

E

L

K

D

D

D

G

G

G

E

V

I

Y

L

G

G

D

D

N

N

T

T

D

D

G

G

F

E

G

G

L

L

V

V

R

Q

D

D

I

L

E

-

V

L

N

A

L

Q

G

Q

V

V

P

L

L

L

A

K

G

G

A

A

R

T

V

I

L

L

L

I

G

G

A

A

G
|
G

G

G

A
|
A

A

A

R

R

G

G

V

V

V

L

L

K

P

P

M

L

L

L

E

D

R

Q

N

Q

P

P

H

A

S

S

L

I

T

T

I

V

V

T

N
|
N

R
|
R

T
|
T

A

F

S

A

K

K

A

A

H

E

E

Q

L

L

V

A

A

E

Q

L

F

V

A

A

N

A

G

Y

A

G

S

E

A

V

A

-

C

-

R

-

L

-

T

-

G

-

S

K

A

A

Q

Q

A

A

I

F

E

E

-

Q

-

L

A

K

G

Q

A

S

Y

Y

D

D

V

V

I

I

V

I

N

N

A
x
S

T
|
T

A
x
S

S
x
A

S

S

L

L

D

D

A

G

S

E

L

L

P

P

E

A

C

I

D

D

D

P

G

V

A

I

F

F

G

S

T

S

G

R

T

S

L

V

A

C

Y

Y

D

D

M

M

M
|
M

Y

Y

G

G

A

K

Q

G

P

Y

T

T

V

V

F

F

M

N

Q

Q

H

W

A

A

S

R

R

Q

L

H

G

G

-

C

A

A

R

Q

A

A

A

I

D

D

G

G

L

L

G

G

M

M

L

L

V

V

E

G

Q

Q

A

A

E

E

S

S

F

F

F

M

V

L

W

W

R

R

G

G

V

L

R

R

P

P

D

G

G

T

A

K

P

Q

V

I

L

L

A

R

A

E

L

L

R

R

E

K

M

N

L

L

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G124 (= G137), A126 (= A139), N146 (= N159), R147 (= R160), T148 (= T161), S183 (≠ A202), T184 (= T203), S185 (≠ A204), A186 (≠ S205), M210 (= M229)

3sefC 2.4 angstrom resolution crystal structure of shikimate 5-dehydrogenase (aroe) from vibrio cholerae o1 biovar eltor str. N16961 in complex with shikimate and NADPH
47% identity, 95% coverage: 10:284/290 of query aligns to 2:243/244 of 3sefC

query
sites
3sefC

D

D

K

Q

Y

Y

A

A

V

V

I

F

G

G

N

N

P

P

I

I

A

N

H

H

S
|
S

K

K

S
|
S

P

P

L

F

I

I

H

H

A

T

Q

L

F

F

A

A

E

R

Q

Q

T

T

G

Q

Q

Q

P

S

V

M

E

I

Y

Y

G

T

R

A

L

Q

L

C

A

V

P

P

V

V

D

D

Q

G

F

F

V

T

A

E

H

A

V

A

R

K

A

H

F

F

I

F

D

A

E

Q

G

G

R

R

G

G

M

C

N

N

V

V

T

T

V

V

P

P

F

F

K
|
K

L

E

D

E

A

A

H

Y

A

R

F

F

A

A

T

D

V

R

L

L

S

T

P

E

R

R

A

A

A

R

A

L

A

A

G

G

A

A

V

V

N

N

T

T

L

L

R

K

F

-

E

K

K

D

D

D

G

G

G

E

V

I

Y

L

G

G

D

D

N

N

T

T

D
|
D

G

G

F

E

G

G

L

L

V

V

R

Q

D

D

I

L

E

-

V

L

N

A

L

Q

G

Q

V

V

P

L

L

L

A

K

G

G

A

A

R

T

V

I

L

L

L

I

G

G

A

A

G

G

A

A

R

R

G

G

V

V

V

L

L

K

P

P

M

L

L

L

E

D

R

Q

N

Q

P

P

H

A

S

S

L

I

T

T

I

V

V

T

N

N

R

R

T

T

A

F

S

A

K

K

A

A

H

E

E

Q

L

L

V

A

A

E

Q

L

F

V

A

A

N

A

G

Y

A

G

S

E

A

V

A

-

C

-

R

-

L

-

T

-

G

-

S

K

A

A

Q

Q

A

A

I

F

E

E

-

Q

-

L

A

K

G

Q

A

S

Y

Y

D

D

V

V

I

I

V

I

N

N

A

S

T

T

A

S

S

A

S

-

L

-

D

-

A

-

S

-

L

-

P

-

E

-

C

I

D

D

D

P

G

V

A

I

F

F

G

S

T

S

G

R

T

S

L

V

A

C

Y

Y

D

D

M

M

Y

Y

G

G

A

-

Q

-

P

-

T

-

V

-

F

-

M

-

Q

-

H

-

A

-

S

-

R

-

L

-

G

-

A

-

R

-

A

-

A

I

D

D

G

G

L

L

G

G

M

M

L

L

V

V

E

G

Q
|
Q

A

A

E

E

S

S

F

F

F

M

V

L

W

W

R

R

G

G

V

L

R

R

P

P

D

G

G

T

A

K

P

Q

V

I

L

L

A

R

A

E

L

L

R

R

E

K

M

N

L

L

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S22), S16 (= S24), K65 (= K73), D101 (= D110), Q217 (= Q258)

1p77A Crystal structure of shikimate dehydrogenase (aroe) from haemophilus influenzae (see paper)
43% identity, 94% coverage: 10:282/290 of query aligns to 2:262/265 of 1p77A

query
sites
1p77A

D

D

K

L

Y

Y

A

A

V

V

I

W

G

G

N

N

P

P

I

I

A

A

H

Q

S

S

K

K

S

S

P

P

L

L

I

I

H

Q

A

N

Q

K

F

L

A

A

E

A

Q

Q

T

T

G

H

Q

Q

P

T

V

M

E

E

Y

Y

G

I

R

A

L

K

L

L

A

G

P

D

V

L

D

D

Q

A

F

F

V

E

A

Q

H

Q

V

L

R

L

A

A

F

F

I

F

D

E

E

E

G

G

G

A

R

K

G

G

M

C

N

N

V

I

T

T

V

S

P

P

F

F

K

K

L

E

D

R

A

A

H

Y

A

Q

F

L

A

A

T

D

V

E

L

Y

S

S

P

Q

R

R

A

A

A

K

A

L

A

A

G

E

A

A

V

C

N

N

T

T

L

L

R

K

F

K

E

L

K

D

D

D

G

G

G

K

V

L

Y

Y

G

A

D

D

N

N

T

T

D

D

G

G

F

I

G

G

L

L

V

V

R

T

D

D

I

L

E

Q

-

R

V

L

N

N

L

W

G

L

V

R

P

P

L

-

A

-

G

N

A

Q

R

H

V

V

L

L

L

I

L

L

G
|
G

A

A

G
|
G

A
|
A

A

T

R

K

G

G

V

V

V

L

L

L

P

P

M

L

L

L

E

Q

R

A

N

Q

P

-

H

Q

S

N

L

I

T

V

I

L

V

A

N
|
N

R
|
R

T
|
T

A

F

S

S

K
|
K

A

T

H

K

E

E

L

L

V

A

A

E

Q

R

F

F

A

Q

N

P

G

Y

A

G

S

N

A

I

A

Q

A

A

C

V

R

-

L

-

T

-

G

-

S

S

A

M

Q

D

A

S

I

I

E

P

A

L

G

Q

A

T

Y

Y

D

D

V

L

I

V

V

I

N

N

A

A

T
|
T

A
x
S

S
x
A

S

S

L

V

D

D

A

A

S

E

L

I

P

-

E

-

C

-

D

-

G

-

A

-

F

L

G

K

T

L

G

G

T

S

L

A

A

F

Y

Y

D

D

M

M

M

Q

Y

Y

G

A

A

K

-

G

Q

T

P

D

T

T

V

P

F

F

M

I

Q

A

H

L

A

C

S

K

R

S

L

L

G

G

-

L

A

T

R

N

A

V

A

S

D

D

G

G

L

F

G

G

M

M

L

L

V

V

E

A

Q

Q

A

A

E

H

S

S

F

F

F

H

V

L

W

W

R

R

G

G

V

V

R

M

P

P

D

D

G

F

A

V

P

S

V

V

L

Y

A

E

A

Q

L

L

R

K

E

K

binding 2'-monophosphoadenosine-5'-diphosphate: G126 (= G135), G128 (= G137), G129 (= G138), A130 (= A139), N149 (= N159), R150 (= R160), T151 (= T161), K154 (= K164), T188 (= T203), S189 (≠ A204), A190 (≠ S205)

P43876 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) (see paper)
42% identity, 94% coverage: 10:282/290 of query aligns to 2:269/272 of P43876

query
sites
P43876

D

D

K

L

Y

Y

A

A

V

V

I

W

G

G

N

N

P

P

I

I

A

A

H

Q

S

S

K

K

S

S

P

P

L

L

I

I

H

Q

A

N

Q

K

F

L

A

A

E

A

Q

Q

T

T

G

H

Q

Q

P

T

V

M

E

E

Y

Y

G

I

R

A

L

K

L

L

A

G

P

D

V

L

D

D

Q

A

F

F

V

E

A

Q

H

Q

V

L

R

L

A

A

F

F

I

F

D

E

E

E

G

G

G

A

R

K

G

G

M

C

N

N

V

I

T

T

V

S

P

P

F

F

K

K

L

E

D

R

A

A

H

Y

A

Q

F

L

A

A

T

D

V

E

L

Y

S

S

P

Q

R

R

A

A

A

K

A

L

A

A

G

E

A

A

V

C

N

N

T

T

L

L

R

K

F

K

E

L

K

D

D

D

G

G

G

K

V

L

Y

Y

G

A

D

D

N

N

T

T

D

D

G

G

F

I

G

G

L

L

V

V

R

T

D

D

I

L

E

Q

-

R

V

L

N

N

L

W

G

L

V

R

P

P

L

-

A

-

G

N

A

Q

R

H

V

V

L

L

L

I

L

L

G
|
G

A
|
A

G
|
G

A
|
A

A

T

R

K

G

G

V

V

V

L

L

L

P

P

M

L

L

L

E

Q

R

A

N

Q

P

-

H

Q

S

N

L

I

T

V

I

L

V

A

N
|
N

R
|
R

T
|
T

A
x
F

S
|
S

K
|
K

A

T

H

K

E

E

L

L

V

A

A

E

Q

R

F

F

A

Q

N

P

G

Y

A

G

S

N

A

I

A

Q

A

A

C

V

R

-

L

-

T

-

G

-

S

S

A

M

Q

D

A

S

I

I

E

P

A

L

G

Q

A

T

Y

Y

D

D

V

L

I

V

V

I

N

N

A

A

T

T

A
x
S

S

A

S

G

L

L

D

S

A

G

S

G

L

T

P

A

E

S

C

V

D

D

D

A

G

E

A

I

F

L

G

K

T

L

G

G

T

S

L

A

A

F

Y

Y

D

D

M

M

M

Q

Y

Y

G

A

A

K

-

G

Q

T

P

D

T

T

V

P

F

F

M

I

Q

A

H

L

A

C

S

K

R

S

L

L

G

G

-

L

A

T

R

N

A

V

A

S

D

D

G

G

L

F

G

G

M

M

L

L

V

V

E

A

Q

Q

A

A

E

H

S

S

F

F

F

H

V

L

W

W

R

R

G

G

V

V

R

M

P

P

D

D

G

F

A

V

P

S

V

V

L

Y

A

E

A

Q

L

L

R

K

E

K

GAGGA 126:130 (= GAGGA 135:139) binding NADP(+)
NRTFSK 149:154 (≠ NRTASK 159:164) binding NADP(+)
S189 (≠ A204) binding NADP(+)

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
31% identity, 90% coverage: 11:272/290 of query aligns to 2:253/269 of Q5HNV1

query
sites
Q5HNV1

K

K

Y

F

A

A

V

V

I

I

G

G

N

N

P

P

I

I

A

S

H

H

S
|
S

K
x
L

S
|
S

P

P

L

L

I

M

H

H

A

H

Q

A

F

N

A

F

E

Q

Q

S

T

L

G

N

Q

L

P

E

V

N

E

T

Y

Y

G

E

R

A

L

I

L

N

A

V

P

P

V

V

D

N

Q

Q

F

F

V

Q

A

D

H

I

V

K

R

K

A

I

F

I

I

S

D

E

E

K

G

S

G

I

R

D

G

G

M

F

N

N

V

V

T
|
T

V

I

P

P

F

H

K

K

L

E

D

R

A

I

H

I

A

P

F

Y

A

L

T

D

V

D

L

I

S

N

P

E

R

Q

A

A

A

K

A

S

A

V

G

G

A

A

V

V

N
|
N

T

T

L

V

R

-

F

L

E

V

K

K

D

D

G

G

G

K

V

W

Y

I

G

G

D

Y

N

N

T

T

D
|
D

G

G

F

I

G

G

L

Y

V

V

R

N

D

G

I

L

E

K

V

-

N

Q

L

I

G

Y

V

E

P

G

L

I

A

E

G

D

A

A

R

Y

V

I

L

L

L

I

L

L

G

G

A

A

G

G

A

A

A

S

R

K

G

G

V

I

V

A

L

N

P

E

M

L

L

Y

E

K

R

I

N

V

P

R

H

P

S

T

L

L

T

T

I

V

V

A

N

N

R

R

T

T

A

M

S

S

K

R

A

-

H

-

E

-

L

-

V

-

A

-

Q

-

F

-

A

F

N

N

G

N

A

W

S

S

A

L

A

N

A

I

C

N

R

K

L

I

T

N

G

L

G

S

S

H

A

A

Q

E

A

S

I

-

E

H

A

L

G

D

A

E

Y

F

D

D

V

I

I

I

V

I

N

N

A

T

T

T

A

P

S

A

S

G

L

M

D

N

A

G

S

N

L

T

P

D

E

S

C

V

D

I

D

S

-

L

G

N

A

R

F

L

G

A

T

S

G

H

T

T

L

L

A

V

Y

S

D

D

M

I

M

V

Y
|
Y

G

N

A

P

Q

Y

P

K

T

T

V

P

F

I

M

L

Q

I

H

E

A

A

S

E

R

Q

L

R

G

G

A

N

R

P

A

I

A

Y

D

N

G

G

L

L

G

D

M

M

L

F

V

V

E

H

Q
|
Q

A

G

A

A

E

E

S

S

F

F

F

K

V

I

W

W

R

T

G

N

V

L

R

E

P

P

D

D

SLS 13:15 (≠ SKS 22:24) binding shikimate
T60 (= T69) binding shikimate
N85 (= N94) binding shikimate
D100 (= D110) binding shikimate
Y211 (= Y230) 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 (= Q258) binding shikimate

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
32% identity, 90% coverage: 11:272/290 of query aligns to 2:244/258 of 3dooA

query
sites
3dooA

K

K

Y

F

A

A

V

V

I

I

G

G

N

N

P

P

I

I

A

S

H

H

S
|
S

K

L

S
|
S

P

P

L

L

I

M

H

H

A

H

Q

A

F

N

A

F

E

Q

Q

S

T

L

G

N

Q

L

P

E

V

N

E

T

Y

Y

G

E

R

A

L

I

L

N

A

V

P

P

V

V

D

N

Q

Q

F

F

V

Q

A

D

H

I

V

K

R

K

A

I

F

I

I

S

D

E

E

K

G

S

G

I

R

D

G

G

M

F

N
|
N

V

V

T
|
T

V

I

P

P

F

H

K
|
K

L

E

D

R

A

I

H

I

A

P

F

Y

A

L

T

D

V

D

L

I

S

N

P

E

R

Q

A

A

A

K

A

S

A

V

G

G

A

A

V

V

N
|
N

T

T

L

V

R

-

F

L

E

V

K

K

D

D

G

G

G

K

V

W

Y

I

G

G

D

Y

N

N

T

T

D
|
D

G

G

F

I

G

G

L

Y

V

V

R

N

D

G

I

L

E

K

V

-

N

Q

L

I

G

Y

V

E

P

G

L

I

A

E

G

D

A

A

R

Y

V

I

L

L

L

I

L

L

G

G

A

A

G

G

A

A

A

S

R

K

G

G

V

I

V

A

L

N

P

E

M

L

L

Y

E

K

R

I

N

V

P

R

H

P

S

T

L

L

T

T

I

V

V

A

N

N

R

R

T

T

A

M

S

S

K

R

A

-

H

-

E

-

L

-

V

-

A

-

Q

-

F

-

A

F

N

N

G

N

A

W

S

S

A

L

A

N

A

I

C

N

R

K

L

I

T

N

G

L

G

S

S

H

A

A

Q

E

A

S

I

-

E

H

A

L

G

D

A

E

Y

F

D

D

V

I

I

I

V

I

N

N

A

T

T

T

A

-

S

-

L

-

D

-

A

-

S

-

L

-

P

P

E

V

C

I

D

S

D

L

G

N

A

R

F

L

G

A

T

S

G

H

T

T

L

L

A

V

Y

S

D

D

M

I

M

V

Y

Y

G

N

A

P

Q

Y

P

K

T

T

V

P

F

I

M

L

Q

I

H

E

A

A

S

E

R

Q

L

R

G

G

A

N

R

P

A

I

A

Y

D

N

G

G

L

L

G

D

M

M

L
x
F

V

V

E

H

Q
|
Q

A

G

A

A

E

E

S

S

F

F

F

K

V

I

W

W

R

T

G

N

V

L

R

E

P

P

D

D

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 (= D110), F227 (≠ L255), Q230 (= Q258)

3phiA Shikimate 5-dehydrogenase (aroe) from helicobacter pylori in complex with shikimate and NADPH
35% identity, 87% coverage: 12:263/290 of query aligns to 6:239/259 of 3phiA

query
sites
3phiA

Y

F

A

G

V

V

I

F

G

G

N

N

P

P

I

I

A

K

H

H

S
|
S

K

K

S
|
S

P

P

L

L

I

I

H

H

-

N

-

A

-

C

-

F

A

L

Q

T

F

F

A

Q

E

K

Q

E

T

L

G

R

Q

F

P

L

V

G

E

H

Y

Y

G

H

R

P

L

I

L

L

A

L

P

P

V

L

D

E

Q

-

F

-

V

-

A

S

H

H

V

I

R

K

A

S

-

E

F

F

I

L

D

H

E

L

G

G

G

L

R

S

G

G

M

A

N
|
N

V

V

T

T

V
x
L

P
|
P

F

F

K
|
K

L

E

D

R

A

A

H

F

A

Q

F

V

A

C

T

D

V

K

L

I

S

K

P

G

R

I

A

A

A

L

A

E

A

C

G

G

A

A

V

V

N
|
N

T

T

L

L

R

V

F

L

E

E

K

N

D

D

G

E

G

L

V

V

Y

-

G

G

D

Y

N

N

T

T

D
|
D

G

A

F

L

G

G

L

F

V

Y

R

-

D

-

I

-

E

-

V

-

N

-

L

-

G

-

V

L

P

S

L

L

A

K

G

Y

A

Q

R

N

V

A

L

L

L

I

L

L

G

G

A

A

G
|
G

A
x
S

A

A

R

K

G

A

V

L

V

A

L

C

P

E

M

-

L

L

E

K

R

K

N

Q

P

G

H

L

S

Q

L

V

T

S

I

V

V

L

N

N

R
|
R

T

S

A

-

S

S

K

R

A

G

H

L

E

D

L

F

V

F

A

Q

Q

-

F

-

A

-

N

-

G

-

A

-

S

-

A

-

C

-

R

R

L

L

T

G

G

C

G

D

S

C

A

F

Q

M

A

E

I

P

E

P

A

K

G

S

A

A

Y

F

D

D

V

L

I

I

V

I

N

N

A

A

T
|
T

A
x
S

S
x
A

S

S

L
|
L

D

H

A

N

S

E

L

L

P
|
P

-

L

-

N

-

K

E

E

C

V

D

L

D

K

G

G

A

Y

F

F

G

K

T

E

G

G

T

K

L

L

A

A

Y

Y

D

D

M
x
L

M

A

Y
|
Y

G

G

A

F

Q

L

P

-

T

T

V

P

F

F

M

L

Q

S

H

L

A

A

S

K

R

E

L

L

G

K

A

T

R

P

A

F

A

Q

D

D

G
|
G

L

K

G

D

M
|
M

L
|
L

V

I

E

Y

Q
|
Q

A

A

E

L

S

S

F

F

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: L66 (≠ V70), P67 (= P71), K69 (= K73), G124 (= G137), G125 (= G138), S126 (≠ A139), R146 (= R160), T177 (= T203), S178 (≠ A204), A179 (≠ S205), L181 (= L207), P186 (= P212), L205 (≠ M228), Y207 (= Y230), G227 (= G251), M230 (= M254), L231 (= L255)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S16 (= S22), S18 (= S24), N63 (= N67), K69 (= K73), N90 (= N94), D105 (= D110), Y207 (= Y230), Q234 (= Q258)

P56119 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori)
34% identity, 87% coverage: 12:263/290 of query aligns to 6:242/263 of P56119

query
sites
P56119

Y

F

A

G

V

V

I

F

G

G

N

N

P

P

I

I

A

K

H

H

S
|
S

K
|
K

S
|
S

P

P

L

L

I

I

H

H

-

N

-

A

-

C

-

F

A

L

Q

T

F

F

A

Q

E

K

Q

E

T

L

G

R

Q

F

P

L

V

G

E

H

Y

Y

G

H

R

P

L

I

L

L

A

L

P

P

V

L

D

E

Q

-

F

-

V

-

A

S

H

H

V

I

R

K

A

S

-

E

F

F

I

L

D

H

E

L

G

G

G

L

R

S

G

G

M

A

N

N

V

V

T
|
T

V

L

P

P

F

F

K

K

L

E

D

R

A

A

H

F

A

Q

F

V

A

C

T

D

V

K

L

I

S

K

P

G

R

I

A

A

A

L

A

E

A

C

G

G

A

A

V

V

N
|
N

T

T

L

L

R

V

F

L

E

E

K

N

D

D

G

E

G

L

V

V

Y

-

G

G

D

Y

N

N

T

T

D
|
D

G

A

F

L

G

G

L

F

V

Y

R

L

D

S

I

L

E

K

V

Q

N

K

L

-

G

-

V

-

P

-

L

-

A

N

G

Y

A

Q

R

N

V

A

L

L

L

I

L

L

G
|
G

A
|
A

G
|
G

A
x
S

A

A

R

K

G

A

V

L

V

A

L

C

P

E

M

-

L

L

E

K

R

K

N

Q

P

G

H

L

S

Q

L

V

T

S

I

V

V

L

N

N

R

R

T

S

A

-

S

S

K

R

A

G

H

L

E

D

L

F

V

F

A

Q

Q

-

F

-

A

-

N

-

G

-

A

-

S

-

A

-

C

-

R

R

L

L

T

G

G

C

G

D

S

C

A

F

Q

M

A

E

I

P

E

P

A

K

G

S

A

A

Y

F

D

D

V

L

I

I

V

I

N

N

A

A

T

T

A
x
S

S

A

S

S

L

L

D

H

A

N

S

E

L

L

P

P

-

L

-

N

-

K

E

E

C

V

D

L

D

K

G

G

A

Y

F

F

G

K

T

E

G

G

T

K

L

L

A

A

Y

Y

D

D

M

L

M

A

Y
|
Y

G

G

A

F

Q

L

P

-

T

T

V

P

F

F

M

L

Q

S

H

L

A

A

S

K

R

E

L

L

G

K

A

T

R

P

A

F

A

Q

D

D

G
|
G

L

K

G

D

M

M

L

L

V

I

E

Y

Q
|
Q

A

A

E

L

S

S

F

F

SKS 16:18 (= SKS 22:24) binding shikimate
T65 (= T69) binding shikimate
N90 (= N94) binding shikimate
D105 (= D110) binding shikimate
GAGGS 125:129 (≠ GAGGA 135:139) binding NADP(+)
S181 (≠ A204) binding NADP(+)
Y210 (= Y230) binding shikimate
G230 (= G251) binding NADP(+)
Q237 (= Q258) binding shikimate

4fosA Crystal structure of shikimate dehydrogenase (aroe) q237a mutant from helicobacter pylori in complex with shikimate
34% identity, 87% coverage: 12:263/290 of query aligns to 6:242/263 of 4fosA

query
sites
4fosA

Y

F

A

G

V

V

I

F

G

G

N

N

P

P

I

I

A

K

H

H

S
|
S

K

K

S
|
S

P

P

L

L

I

I

H

H

-

N

-

A

-

C

-

F

A

L

Q

T

F

F

A

Q

E

K

Q

E

T

L

G

R

Q

F

P

L

V

G

E

H

Y

Y

G

H

R

P

L

I

L

L

A

L

P

P

V

L

D

E

Q

-

F

-

V

-

A

S

H

H

V

I

R

K

A

S

-

E

F

F

I

L

D

H

E

L

G

G

G

L

R

S

G

G

M

A

N
|
N

V
|
V

T
|
T

V

L

P

P

F

F

K
|
K

L

E

D

R

A

A

H

F

A

Q

F

V

A

C

T

D

V

K

L

I

S

K

P

G

R

I

A

A

A

L

A

E

A

C

G

G

A

A

V

V

N
|
N

T

T

L

L

R

V

F

L

E

E

K

N

D

D

G

E

G

L

V

V

Y

-

G

G

D

Y

N

N

T

T

D
|
D

G

A

F

L

G

G

L

F

V

Y

R

L

D

S

I

L

E

K

V

Q

N

K

L

-

G

-

V

-

P

-

L

-

A

N

G

Y

A

Q

R

N

V

A

L

L

L

I

L

L

G

G

A

A

G

G

A

S

A

A

R

K

G

A

V

L

V

A

L

C

P

E

M

-

L

L

E

K

R

K

N

Q

P

G

H

L

S

Q

L

V

T

S

I

V

V

L

N

N

R

R

T

S

A

-

S

S

K

R

A

G

H

L

E

D

L

F

V

F

A

Q

Q

-

F

-

A

-

N

-

G

-

A

-

S

-

A

-

C

-

R

R

L

L

T

G

G

C

G

D

S

C

A

F

Q

M

A

E

I

P

E

P

A

K

G

S

A

A

Y

F

D

D

V

L

I

I

V

I

N

N

A

A

T

T

A

S

S

A

S

S

L

L

D

H

A

N

S

E

L

L

P

P

-

L

-

N

-

K

E

E

C

V

D

L

D

K

G

G

A

Y

F

F

G

K

T

E

G

G

T

K

L

L

A

A

Y

Y

D

D

M

L

M

A

Y
|
Y

G

G

A

F

Q

L

P

-

T

T

V

P

F

F

M

L

Q

S

H

L

A

A

S

K

R

E

L

L

G

K

A

T

R

P

A

F

A

Q

D

D

G

G

L

K

G

D

M

M

L
|
L

V

I

E

Y

Q

A

A

A

E

L

S

S

F

F

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S16 (= S22), S18 (= S24), N63 (= N67), V64 (= V68), T65 (= T69), K69 (= K73), N90 (= N94), D105 (= D110), Y210 (= Y230), L234 (= L255)

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
30% identity, 89% coverage: 12:268/290 of query aligns to 9:252/267 of 2hk9B

query
sites
2hk9B

Y

Y

A

G

V

V

I

I

G

G

N

F

P

P

I

V

A

K

H

H

S
|
S

K

L

S
|
S

P

P

L

V

I

F

H

Q

A

N

Q

A

F

L

A

I

E

R

Q

Y

T

A

G

G

Q

L

P

N

V

A

E

V

Y

Y

G

L

R

A

L

F

L

E

A

I

P

N

V

P

D

E

Q

E

F

L

V

K

A

K

H

A

V

F

R

E

A

G

F

F

I

K

D

A

E

L

G

K

G

V

R

K

G

G

M

I

N
|
N

V

V

T
|
T

V
|
V

P

P

F

F

K
|
K

L

E

D

E

A

I

H

I

A

P

F

L

A

L

T

D

V

Y

L

V

S

E

P

D

R

T

A

A

A

K

A

E

A

I

G

G

A

A

V

V

N
|
N

T

T

L

V

R

K

F

F

E

E

K

-

D

N

G

G

G

K

V

A

Y

Y

G

G

D

Y

N

N

T

T

D
|
D

G

W

F

I

G

G

L

F

V

L

R

K

D

S

I

L

E

K

V

-

N

S

L

L

G

I

V

P

P

E

L

V

A

K

G

E

A

K

R

S

V

I

L

L

L

V

L

L

G
|
G

A

A

G

G

G
|
G

A
|
A

A

S

R

R

G

A

V

V

V

I

L

Y

P

A

M

L

L

V

E

K

R

E

N

G

P

A

H

K

S

V

L

F

T

-

I

L

V

W

N
|
N

R
|
R

T
|
T

A

K

S

E

K
|
K

A

A

H

I

E

K

L

L

V

A

A

Q

Q

K

F

F

A

-

N

-

G

-

A

-

S

-

A

-

A

P

C

L

R

E

L

V

T

V

G

N

G

S

S

P

A

E

Q

E

A

V

I

I

E

D

A

-

G

-

A

K

Y

V

D

Q

V

V

I

I

V

V

N

N

A

T

T
|
T

A
x
S

S
x
V

S

G

L

L

D

K

A

D

S

E

L

D

P

P

E

E

C

I

-

F

D

N

D

Y

G

D

A

L

F

I

G

K

T

K

G

D

T

H

L

V

A

V

Y

V

D

D

M
x
I

M

I

Y
|
Y

G

-

A

-

Q

K

P

E

T

T

V

K

F

L

M

L

Q

K

H

K

A

A

S

K

R

E

L

K

G

G

A

A

R

K

A

L

D

D

G

G

L

L

G

P

M
|
M

L
|
L

V

L

E

W

Q
|
Q

A

G

A

I

E

E

S

A

F

F

F

K

V

I

W

W

R

N

G

G

binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (= V70), G130 (= G135), G133 (= G138), A134 (= A139), N153 (= N159), R154 (= R160), T155 (= T161), K158 (= K164), T188 (= T203), S189 (≠ A204), V190 (≠ S205), I214 (≠ M228), M238 (= M254), L239 (= L255)
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 (= D110), Y216 (= Y230), L239 (= L255), Q242 (= Q258)

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
30% identity, 89% coverage: 12:268/290 of query aligns to 9:252/269 of 2hk9A

query
sites
2hk9A

Y

Y

A

G

V

V

I

I

G

G

N

F

P

P

I

V

A

K

H

H

S
|
S

K

L

S
|
S

P

P

L

V

I

F

H

Q

A

N

Q

A

F

L

A

I

E

R

Q

Y

T

A

G

G

Q

L

P

N

V

A

E

V

Y

Y

G

L

R

A

L

F

L

E

A

I

P

N

V

P

D

E

Q

E

F

L

V

K

A

K

H

A

V

F

R

E

A

G

F

F

I

K

D

A

E

L

G

K

G

V

R

K

G

G

M

I

N
|
N

V

V

T

T

V
|
V

P

P

F

F

K
|
K

L

E

D

E

A

I

H

I

A

P

F

L

A

L

T

D

V

Y

L

V

S

E

P

D

R

T

A

A

A

K

A

E

A

I

G

G

A

A

V

V

N
|
N

T

T

L

V

R

K

F

F

E

E

K

-

D

N

G

G

G

K

V

A

Y

Y

G

G

D

Y

N

N

T

T

D
|
D

G

W

F

I

G

G

L

F

V

L

R

K

D

S

I

L

E

K

V

-

N

S

L

L

G

I

V

P

P

E

L

V

A

K

G

E

A

K

R

S

V

I

L

L

L

V

L

L

G

G

A

A

G
|
G

A
|
A

A

S

R

R

G

A

V

V

V

I

L

Y

P

A

M

L

L

V

E

K

R

E

N

G

P

A

H

K

S

V

L

F

T

-

I

L

V

W

N
|
N

R
|
R

T
|
T

A

K

S

E

K

K

A

A

H

I

E

K

L

L

V

A

A

Q

Q

K

F

F

A

-

N

-

G

-

A

-

S

-

A

-

A

P

C

L

R

E

L

V

T

V

G

N

G

S

S

P

A

E

Q

E

A

V

I

I

E

D

A

-

G

-

A

K

Y

V

D

Q

V

V

I

I

V

V

N

N

A

T

T
|
T

A
x
S

S
x
V

S

G

L

L

D

K

A

D

S

E

L

D

P

P

E

E

C

I

-

F

D

N

D

Y

G

D

A

L

F

I

G

K

T

K

G

D

T

H

L

V

A

V

Y

V

D

D

M

I

Y
|
Y

G

-

A

-

Q

K

P

E

T

T

V

K

F

L

M

L

Q

K

H

K

A

A

S

K

R

E

L

K

G

G

A

A

R

K

A

L

D

D

G

G

L

L

G

P

M

M

L
|
L

V

L

E

W

Q
|
Q

A

G

A

I

E

E

S

A

F

F

F

K

V

I

W

W

R

N

G

G

binding 2'-monophosphoadenosine-5'-diphosphate: V67 (= V70), G132 (= G137), G133 (= G138), A134 (= A139), N153 (= N159), R154 (= R160), T155 (= T161), T188 (= T203), S189 (≠ A204), V190 (≠ S205)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S22), S21 (= S24), N64 (= N67), K70 (= K73), N91 (= N94), D106 (= D110), Y216 (= Y230), L239 (= L255), Q242 (= Q258)

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
30% identity, 89% coverage: 12:268/290 of query aligns to 9:252/269 of O67049

query
sites
O67049

Y

Y

A

G

V

V

I

I

G

G

N

F

P

P

I

V

A

K

H

H

S
|
S

K
x
L

S
|
S

P

P

L

V

I

F

H

Q

A

N

Q

A

F

L

A

I

E

R

Q

Y

T

A

G

G

Q

L

P

N

V

A

E

V

Y

Y

G

L

R

A

L

F

L

E

A

I

P

N

V

P

D

E

Q

E

F

L

V

K

A

K

H

A

V

F

R

E

A

G

F

F

I

K

D

A

E

L

G

K

G

V

R

K

G

G

M

I

N

N

V

V

T

T

V

V

P

P

F

F

K

K

L

E

D

E

A

I

H

I

A

P

F

L

A

L

T

D

V

Y

L

V

S

E

P
x
D

R

T

A

A

A

K

A

E

A

I

G

G

A

A

V

V

N
|
N

T

T

L

V

R

K

F

F

E

E

K

-

D

N

G

G

G

K

V

A

Y

Y

G

G

D

Y

N

N

T

T

D
|
D

G

W

F

I

G

G

L

F

V

L

R

K

D

S

I

L

E

K

V

-

N

S

L

L

G

I

V

P

P

E

L

V

A

K

G

E

A

K

R

S

V

I

L

L

L

V

L

L

G
|
G

A
|
A

G
|
G

A
|
A

A

S

R

R

G

A

V

V

V

I

L

Y

P

A

M

L

L

V

E

K

R

E

N

G

P

A

H

K

S

V

L

F

T

-

I

L

V

W

N

N

R

R

T

T

A

K

S

E

K

K

A

A

H

I

E

K

L

L

V

A

A

Q

Q

K

F

F

A

-

N

-

G

-

A

-

S

-

A

-

A

P

C

L

R

E

L

V

T

V

G

N

G

S

S

P

A

E

Q

E

A

V

I

I

E

D

A

-

G

-

A

K

Y

V

D

Q

V

V

I

I

V

V

N

N

A

T

T

T

A

S

S

V

S

G

L

L

D

K

A

D

S

K

L

D

P

P

E

E

C

I

-

F

D

N

D

Y

G

D

A

L

F

I

G

K

T

K

G

D

T

H

L

V

A

V

Y

V

D

D

M
x
I

M

I

Y
|
Y

G

-

A

-

Q

K

P

E

T

T

V

K

F

L

M

L

Q

K

H

K

A

A

S

K

R

E

L

K

G

G

A

A

R

K

A

L

A

F

D

D

G
|
G

L

L

G

P

M

M

L

L

V

L

E

W

Q
|
Q

A

G

A

I

E

E

S

A

F

F

F

K

V

I

W

W

R

N

G

G

SLS 19:21 (≠ SKS 22:24) binding shikimate
D82 (≠ P85) binding NADP(+)
N91 (= N94) binding shikimate
D106 (= D110) binding shikimate
GAGGA 130:134 (= GAGGA 135:139) binding NADP(+)
I214 (≠ M228) binding NADP(+)
Y216 (= Y230) binding shikimate
G235 (= G251) binding NADP(+)
Q242 (= Q258) binding shikimate

3phjA Shikimate 5-dehydrogenase (aroe) from helicobacter pylori in complex with 3-dehydroshikimate
34% identity, 87% coverage: 12:263/290 of query aligns to 6:234/255 of 3phjA

query
sites
3phjA

Y

F

A

G

V

V

I

F

G

G

N

N

P

P

I

I

A

K

H

H

S
|
S

K

K

S
|
S

P

P

L

L

I

I

H

H

-

N

-

A

-

C

-

F

A

L

Q

T

F

F

A

Q

E

K

Q

E

T

L

G

R

Q

F

P

L

V

G

E

H

Y

Y

G

H

R

P

L

I

L

L

A

L

P

P

V

L

D

E

Q

-

F

-

V

-

A

S

H

H

V

I

R

K

A

S

-

E

F

F

I

L

D

H

E

L

G

G

G

L

R

S

G

G

M

A

N
|
N

V

V

T

T

V

L

P

P

F

F

K
|
K

L

E

D

R

A

A

H

F

A

Q

F

V

A

C

T

D

V

K

L

I

S

K

P

G

R

I

A

A

A

L

A

E

A

C

G

G

A

A

V

V

N
|
N

T

T

L

L

R

V

F

L

E

E

K

N

D

D

G

E

G

L

V

V

Y

-

G

G

D

Y

N

N

T

T

D
|
D

G

A

F

L

G

G

L

F

V

Y

R

-

D

-

I

-

E

-

V

-

N

-

L

-

G

-

V

L

P

S

L

L

A

K

G

Y

A

Q

R

N

V

A

L

L

L

I

L

L

G

G

A

A

G

G

A

S

A

A

R

K

G

A

V

L

V

A

L

C

P

E

M

-

L

L

E

K

R

K

N

Q

P

G

H

L

S

Q

L

V

T

S

I

V

V

L

N

N

R

R

T

S

A

-

S

S

K

R

A

G

H

L

E

D

L

F

V

F

A

Q

Q

-

F

-

A

-

N

-

G

-

A

-

S

-

A

-

C

-

R

R

L

L

T

G

G

C

G

D

S

C

A

F

Q

M

A

E

I

P

E

P

A

K

G

S

A

A

Y

F

D

D

V

L

I

I

V

I

N

N

A

A

T

T

A

-

S

-

L

-

D

-

A

S

S

E

L

L

P

P

-

L

-

N

-

K

E

E

C

V

D

L

D

K

G

G

A

Y

F

F

G

K

T

E

G

G

T

K

L

L

A

A

Y

Y

D

D

M

L

M

A

Y
|
Y

G

G

A

F

Q

L

P

-

T

T

V

P

F

F

M

L

Q

S

H

L

A

A

S

K

R

E

L

L

G

K

A

T

R

P

A

F

A

Q

D

D

G

G

L

K

G

D

M

M

L

L

V

I

E

Y

Q
|
Q

A

A

E

L

S

S

F

F

binding 3-dehydroshikimate: S16 (= S22), S18 (= S24), N63 (= N67), K69 (= K73), N90 (= N94), D105 (= D110), Y202 (= Y230), Q229 (= Q258)

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
30% identity, 89% coverage: 14:272/290 of query aligns to 16:273/287 of 1nvtB

query
sites
1nvtB

V

L

I

I

G

G

N

H

P

P

I

V

A
x
E

H
|
H

S

S

K

F

S

S

P

P

L

I

I

M

H

H

A

N

Q

A

F

A

A

F

E

K

Q

D

T

K

G

G

Q

L

P

N

V

Y

E

V

Y

Y

G

-

R

-

L

-

A

V

P

A

V

F

D

D

Q

V

F

L

V

P

A

E

H

N

V

L

R

K

A

Y

F

V

I

I

D

D

-

G

-

A

-

K

-

A

E

L

G

G

G

I

R

V

G

G

M

F

N

N

V

V

T

T

V
x
I

P

P

F

H

K
|
K

L

I

D

E

A

I

H

M

A

K

F

Y

A

L

T

D

V

E

L

I

S

D

P

K

R

D

A

A

A

Q

A

L

A

I

G

G

A

A

V

V

N

N

T

T

L

I

R

K

F

I

E

E

K

-

D

D

G

G

G

K

V

A

Y

I

G

G

D

Y

N

N

T

T

D
|
D

G

G

F

I

G

G

L

A

V

R

R

M

D

A

I

L

E

E

V

E

N

E

L

I

G

G

V

-

P

R

L

V

A

K

G

D

A

K

R

N

V

I

L

V

L

I

L

Y

G
|
G

A

A

G
|
G

A
|
A

A

A

R

R

G

A

V

V

V

A

L

F

P

E

M

L

L

A

E

K

R

D

N

N

P

-

H

-

S

N

L

I

T

I

I

I

V

A

N
|
N

R
|
R

T
|
T

A

V

S

E

K
|
K

A

A

H

E

E

A

L

L

V

A

A

K

Q

E

F

I

A

A

N

E

G

K

A

L

S

N

A

K

A

F

C

G

R

E

L

E

T

V

G

K

G

F

S

S

A

G

Q

L

A

D

I

V

E

D

A

L

G

D

A

G

Y

V

D

D

V

I

I

I

V

I

N

N

A
|
A

T
|
T

A
x
P

S
x
I

S

G

L
x
M

D

Y

A

P

S

N

L

I

-

D

-

V

-

E

P

P

E

I

C

V

D

K

D

A

G

E

A

K

F

L

G

R

T

E

G

D

T

M

L

V

A

V

Y

M

D

D

M
x
L

M

I

Y
|
Y

G

N

A

P

Q

L

P

E

T

T

V

V

F

L

M

L

Q

K

H

E

A

A

S

K

R

K

L

V

G

N

A

A

R

K

A

T

A

I

D

N

G

G

L

L

G

G

M
|
M

L
|
L

V

I

E

Y

Q

Q

A

G

A

A

E

V

S

A

F

F

F

K

V

I

W

W

R

T

G

G

V

V

R

E

P

P

D

N

active site: K75 (= K73), D111 (= D110)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I72 (≠ V70), G135 (= G135), G137 (= G137), G138 (= G138), A139 (= A139), N157 (= N159), R158 (= R160), T159 (= T161), K162 (= K164), A200 (= A202), T201 (= T203), P202 (≠ A204), I203 (≠ S205), M205 (≠ L207), L229 (≠ M228), Y231 (= Y230), M255 (= M254), L256 (= L255)
binding zinc ion: E22 (≠ A20), H23 (= H21)

1nvtA Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
30% identity, 89% coverage: 14:272/290 of query aligns to 16:273/287 of 1nvtA

query
sites
1nvtA

V

L

I

I

G

G

N

H

P

P

I

V

A

E

H

H

S

S

K

F

S

S

P

P

L

I

I

M

H

H

A

N

Q

A

F

A

A

F

E

K

Q

D

T

K

G

G

Q

L

P

N

V

Y

E

V

Y

Y

G

-

R

-

L

-

A

V

P

A

V

F

D

D

Q

V

F

L

V

P

A

E

H

N

V

L

R

K

A

Y

F

V

I

I

D

D

-

G

-

A

-

K

-

A

E

L

G

G

G

I

R

V

G

G

M

F

N

N

V

V

T

T

V

I

P

P

F

H

K
|
K

L

I

D

E

A

I

H

M

A

K

F

Y

A

L

T

D

V

E

L

I

S

D

P

K

R

D

A

A

A

Q

A

L

A

I

G

G

A

A

V

V

N

N

T

T

L

I

R

K

F

I

E

E

K

-

D

D

G

G

G

K

V

A

Y

I

G

G

D

Y

N

N

T

T

D
|
D

G

G

F

I

G

G

L

A

V

R

R

M

D

A

I

L

E

E

V

E

N

E

L

I

G

G

V

-

P

R

L

V

A

K

G

D

A

K

R

N

V

I

L

V

L

I

L

Y

G
|
G

A

A

G

G

A
|
A

A

A

R

R

G

A

V

V

V

A

L

F

P

E

M

L

L

A

E

K

R

D

N

N

P

-

H

-

S

N

L

I

T

I

I

I

V

A

N
|
N

R
|
R

T
|
T

A

V

S

E

K
|
K

A

A

H

E

E

A

L

L

V

A

A

K

Q

E

F

I

A

A

N

E

G

K

A

L

S

N

A

K

A

F

C

G

R

E

L

E

T

V

G

K

G

F

S

S

A

G

Q

L

A

D

I

V

E

D

A

L

G

D

A

G

Y

V

D

D

V

I

I

I

V

I

N

N

A
|
A

T
|
T

A
x
P

S
x
I

S

G

L
x
M

D

Y

A

P

S

N

L

I

-

D

-

V

-

E

P

P

E

I

C

V

D

K

D

A

G

E

A

K

F

L

G

R

T

E

G

D

T

M

L

V

A

V

Y

M

D

D

M
x
L

M

I

Y
|
Y

G

N

A

P

Q

L

P

E

T

T

V

V

F

L

M

L

Q

K

H

E

A

A

S

K

R

K

L

V

G

N

A

A

R

K

A

T

A

I

D

N

G
|
G

L

L

G

G

M
|
M

L
|
L

V

I

E

Y

Q

Q

A

G

A

A

E

V

S

A

F

F

F

K

V

I

W

W

R

T

G

G

V

V

R

E

P

P

D

N

active site: K75 (= K73), D111 (= D110)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G135 (= G135), A139 (= A139), N157 (= N159), R158 (= R160), T159 (= T161), K162 (= K164), A200 (= A202), T201 (= T203), P202 (≠ A204), I203 (≠ S205), M205 (≠ L207), L229 (≠ M228), Y231 (= Y230), G252 (= G251), M255 (= M254), L256 (= L255)

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)
30% identity, 89% coverage: 14:272/290 of query aligns to 11:268/282 of Q58484

query
sites
Q58484

V

L

I

I

G

G

N

H

P

P

I

V

A

E

H

H

S

S

K

F

S

S

P

P

L

I

I

M

H

H

A

N

Q

A

F

A

A

F

E

K

Q

D

T

K

G

G

Q

L

P

N

V

Y

E

V

Y

Y

G

-

R

-

L

-

A

V

P

A

V

F

D

D

Q

V

F

L

V

P

A

E

H

N

V

L

R

K

A

Y

F

V

I

I

D

D

-

G

-

A

-

K

-

A

E

L

G

G

G

I

R

V

G

G

M

F

N

N

V

V

T

T

V

I

P

P

F

H

K

K

L

I

D

E

A

I

H

M

A

K

F

Y

A

L

T

D

V

E

L

I

S

D

P

K

R

D

A

A

A

Q

A

L

A

I

G

G

A

A

V

V

N

N

T

T

L

I

R

K

F

I

E

E

K

-

D

D

G

G

G

K

V

A

Y

I

G

G

D

Y

N

N

T

T

D

D

G

G

F

I

G

G

L

A

V

R

R

M

D

A

I

L

E

E

V

E

N

E

L

I

G

G

V

-

P

R

L

V

A

K

G

D

A

K

R

N

V

I

L

V

L

I

L

Y

G
|
G

A
|
A

G
|
G

A
|
A

A

A

R

R

G

A

V

V

V

A

L

F

P

E

M

L

L

A

E

K

R

D

N

N

P

-

H

-

S

N

L

I

T

I

I

I

V

A

N
|
N

R
|
R

T
|
T

A
x
V

S
x
E

K
|
K

A

A

H

E

E

A

L

L

V

A

A

K

Q

E

F

I

A

A

N

E

G

K

A

L

S

N

A

K

A

F

C

G

R

E

L

E

T

V

G

K

G

F

S

S

A

G

Q

L

A

D

I

V

E

D

A

L

G

D

A

G

Y

V

D

D

V

I

I

I

V

I

N

N

A

A

T
|
T

A

P

S

I

S

G

L
x
M

D

Y

A

P

S

N

L

I

-

D

-

V

-

E

P

P

E

I

C

V

D

K

D

A

G

E

A

K

F

L

G

R

T

E

G

D

T

M

L

V

A

V

Y

M

D

D

M
x
L

M

I

Y

Y

G

N

A

P

Q

L

P

E

T

T

V

V

F

L

M

L

Q

K

H

E

A

A

S

K

R

K

L

V

G

N

A

A

R

K

A

T

A

I

D

N

G

G

L

L

G

G

M

M

L

L

V

I

E

Y

Q

Q

A

G

A

A

E

V

S

A

F

F

F

K

V

I

W

W

R

T

G

G

V

V

R

E

P

P

D

N

GAGGA 130:134 (= GAGGA 135:139) binding NADP(+)
NRTVEK 152:157 (≠ NRTASK 159:164) binding NADP(+)
T196 (= T203) binding NADP(+)
M200 (≠ L207) binding NADP(+)
L224 (≠ M228) binding NADP(+)

Query Sequence

>WP_012401996.1 NCBI__GCF_000020045.1:WP_012401996.1
MSSNQNTPRDKYAVIGNPIAHSKSPLIHAQFAEQTGQPVEYGRLLAPVDQFVAHVRAFID
EGGRGMNVTVPFKLDAHAFATVLSPRAAAAGAVNTLRFEKDGGVYGDNTDGFGLVRDIEV
NLGVPLAGARVLLLGAGGAARGVVLPMLERNPHSLTIVNRTASKAHELVAQFANGASAAA
CRLTGGSAQAIEAGAYDVIVNATASSLDASLPECDDGAFGTGTLAYDMMYGAQPTVFMQH
ASRLGARAADGLGMLVEQAAESFFVWRGVRPDGAPVLAALREMLRAPQSA

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