SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012405246.1 NCBI__GCF_000020045.1:WP_012405246.1 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)
47% identity, 99% coverage: 3:277/277 of query aligns to 6:275/278 of Q9KVT3

query
sites
Q9KVT3

D

D

Q

Q

Y

Y

A

A

V

V

I

F

G

G

N

N

P

P

I

I

G

N

H

H

T
x
S

K
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K

S
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S

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F

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A

H

F

F

A

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C

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P

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F

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Y

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E

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K

F

L

E

D

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E

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D

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D

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G

G

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G

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K

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P

F

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L

L

A

D

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N

R
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R

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x
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x
F

A
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A

K
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K

A

A

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E

D

Q

L

L

A

A

A

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Q

L

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G

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A

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L

Q

K

A

Q

L

-

G

-

R

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Y

D

D

L

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V

I

N

N

A

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T

T

S

S

A

A

S

S

L

L

S

D

G

G

D

E

L

L

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I

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Y

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K

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Y

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F

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A

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G

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M

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S

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F

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M

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L

W

W

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R

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A

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N

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E

SKS 18:20 (≠ TKS 15:17) binding shikimate
N90 (= N90) binding shikimate
D106 (= D105) binding shikimate
NRTFAK 154:159 (≠ NRNVAK 154:159) binding NADP(+)
Q248 (= Q250) 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
47% identity, 99% coverage: 3:277/277 of query aligns to 2:271/272 of 3pgjA

query
sites
3pgjA

D

D

Q

Q

Y

Y

A

A

V

V

I

F

G

G

N

N

P

P

I

I

G

N

H

H

T
x
S

K

K

S
|
S

P

P

L

F

I

I

H

H

G

T

L

L

F

F

A

A

E

R

E

Q

T

T

Q

Q

D

S

M

M

A

I

Y

Y

T

T

A

A

I

Q

E

C

G

V

P

P

L

V

E

D

P

-

E

-

Q

-

A

G

F

F

A

T

E

E

R

A

V

A

R

K

A

H

F

F

A

F

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M

C

N
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N

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V

T
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T

A

V

P

P

F

F

K
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K

L

E

K

E

A

A

F

Y

A

R

M

F

A

A

D

D

E

R

R

L

S

T

E

E

R

R

A

A

E

R

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L

A

A

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G

A

A

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V

N
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N

A

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M

L

K

K

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K

F

L

E

D

G

D

G

G

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E

I

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A

G

E

D

N

N

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T

D
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D

G

G

I

E

G

G

L

L

V

V

R

Q

D

D

I

L

E

L

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N

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M

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G

K

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I

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G

A

A

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G

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V

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T

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N

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R

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Q

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Y

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L

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I

N

N

A

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T

S

S

A

A

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S

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L

S

D

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G

D

E

L

L

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S

P

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E

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S

A

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C

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Y

E

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M

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Y

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K

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A

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S

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M

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L

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W

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R

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E

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (≠ T15), S16 (= S17), N59 (= N63), T61 (= T65), K65 (= K69), N86 (= N90), D102 (= D105), Q244 (= Q250)

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
47% identity, 99% coverage: 3:277/277 of query aligns to 2:267/268 of 3sefA

query
sites
3sefA

D

D

Q

Q

Y

Y

A

A

V

V

I

F

G

G

N

N

P

P

I

-

G

-

H

-

T

S

K

K

S

S

P

P

L

F

I

I

H

H

G

T

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L

F

F

A

A

E

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E

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T

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S

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M

A

I

Y

Y

T

T

A

A

I

Q

E

C

G

V

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P

L

-

E

-

P

-

E

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Q

D

A

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F

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E

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K

A

H

F

F

A

F

L

A

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G

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C

N

N

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P

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F

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E

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Y

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A

A

D

D

E

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S

T

E

E

R

R

A

A

E

R

L

L

A

A

G

G

A

A

V

V

N

N

A

T

M

L

K

K

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K

F

L

E

D

G

D

G

G

R

E

I

I

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A

G

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D

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D

D

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D

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G

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A

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R

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G

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R

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x
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A

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x
S

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T

S
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S

A
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A

S

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S

D

G

G

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E

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A
x
M

Y

Y

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A

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A

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D

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E

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G124 (= G132), A126 (= A134), N146 (= N154), R147 (= R155), T148 (≠ N156), S183 (≠ A193), T184 (= T194), S185 (= S195), A186 (= A196), M210 (≠ A220)

P15770 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Escherichia coli (strain K12) (see paper)
46% identity, 97% coverage: 3:272/277 of query aligns to 2:266/272 of P15770

query
sites
P15770

D

E

Q

T

Y

Y

A

A

V

V

I

F

G

G

N

N

P

P

I

I

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A

H

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K

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S

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P

L

F

I

I

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F

A

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Q

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D

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M

H

A

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Y

Y

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G

A

R

I

V

E

-

G

-

P

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L

L

E

A

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P

E

I

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N

A

D

F

F

A

I

E

N

R

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L

R

N

A

A

F

F

A

F

L

S

A

A

G

G

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K

G

G

M

A

N

N

V

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T

A

V

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P

F

F

K

K

L

E

K

E

A

A

F

F

A

A

M

R

A

A

D

D

E

E

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L

S

T

E

E

R

R

A

A

E

A

L

L

A

A

G

G

A

A

V

V

N

N

A

T

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L

M

M

K

R

F

L

E

E

G

D

G

G

R

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A

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E

D

N

N

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D

D

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G

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G

G

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L

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S

D

D

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N

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G

G

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L

L

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

A

V

L

L

P

P

F

L

L

L

A

S

A

L

R

D

P

C

E

-

S

A

L

V

V

T

I

I

A

T

N
|
N

R
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R

N
x
T

V
|
V

A
x
S

K
x
R

A

A

R

E

D

E

L

L

A

A

A

K

Q

L

V

F

G

A

A

H

H

T

G

G

A

S

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I

H

Q

A

A

C

L

G

S

Y

M

G

D

D

E

L

L

Q

E

A

G

L

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G

H

R

E

F

F

D

D

L

L

V

I

N

N

A

A

T

T

S

S

A

S

S

G

L

I

S

S

G

G

D

D

L

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P

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S

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E

G

G

I

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Y

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C

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Y

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D

L
x
M

A

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Y

Y

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K

R

G

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K

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P

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F

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A

C

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A

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M

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A

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E

H

A

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P

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E

K

R

Q

L

L

GAGGA 126:130 (= GAGGA 130:134) binding NADP(+)
NRTVSR 149:154 (≠ NRNVAK 154:159) binding NADP(+)
M213 (≠ L219) binding NADP(+)
G237 (= G243) binding NADP(+)

1nytA Shikimate dehydrogenase aroe complexed with NADP+ (see paper)
46% identity, 97% coverage: 3:272/277 of query aligns to 2:266/271 of 1nytA

query
sites
1nytA

D

E

Q

T

Y

Y

A

A

V

V

I

F

G

G

N

N

P

P

I

I

G

A

H

H

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K

K

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P

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I

I

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A

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Q

I

D

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M

H

A

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Y

Y

T

G

A

R

I

V

E

-

G

-

P

-

L

L

E

A

P

P

E

I

Q

N

A

D

F

F

A

I

E

N

R

T

V

L

R

N

A

A

F

F

A

F

L

S

A

A

G

G

K

K

G

G

M

A

N

N

V

V

T

T

A

V

P

P

F

F

K
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K

L

E

K

E

A

A

F

F

A

A

M

R

A

A

D

D

E

E

R

L

S

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E

E

R

R

A

A

E

A

L

L

A

A

G

G

A

A

V

V

N

N

A

T

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L

M

M

K

R

F

L

E

E

G

D

G

G

R

R

I

L

A

G

E

D

N

N

F

T

D
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D

G

G

I

V

G

G

L

L

V

L

R

S

D

D

I

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E

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V

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N

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P

G

G

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L

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L

L

I

G

G

A

A

G
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G

A
|
A

A

S

R

R

G

G

A

V

L

L

P

P

F

L

L

L

A

S

A

L

R

D

P

C

E

-

S

A

L

V

V

T

I

I

A

T

N
|
N

R
|
R

N
x
T

V

V

A

S

K
x
R

A

A

R

E

D

E

L

L

A

A

A

K

Q

L

V

F

G

A

A

H

H

T

G

G

A

S

L

I

H

Q

A

A

C

L

G

S

Y

M

G

D

D

E

L

L

Q

E

A

G

L

-

G

H

R

E

F

F

D

D

L

L

V

I

N

N

A

A

T
|
T

S
|
S

A
x
S

S

G

L

I

S

S

G

G

D

D

L

I

P

P

P

A

V

I

P

P

P

S

S

S

V

L

F

I

S

H

P

P

E

G

G

I

A

Y

A

C

Y

Y

E

D

L
x
M

A

F

Y

Y

G

Q

K

K

R

G

L

K

T

T

P

P

F

F

L

L

R

A

L

W

A

C

R

E

N

Q

A

R

G

G

V

S

F

K

T

R

I

N

A

A

D

D

G
|
G

V

L

G

G

M
|
M

L
|
L

V

V

E

A

Q

Q

A

A

E

H

A

A

F

F

D

L

W

L

W

W

R

H

G

G

V

V

R

L

P

P

A

D

T

V

R

E

A

P

V

V

I

I

E

K

R

Q

L

L

binding nadp nicotinamide-adenine-dinucleotide phosphate: K65 (= K69), D102 (= D105), G128 (= G132), G129 (= G133), A130 (= A134), N149 (= N154), R150 (= R155), T151 (≠ N156), R154 (≠ K159), T188 (= T194), S189 (= S195), S190 (≠ A196), M213 (≠ L219), G237 (= G243), M240 (= M246), L241 (= L247)

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
44% identity, 99% coverage: 3:277/277 of query aligns to 2:244/244 of 3sefC

query
sites
3sefC

D

D

Q

Q

Y

Y

A

A

V

V

I

F

G

G

N

N

P

P

I

I

G

N

H

H

T
x
S

K

K

S
|
S

P

P

L

F

I

I

H

H

G

T

L

L

F

F

A

A

E

R

E

Q

T

T

Q

Q

D

S

M

M

A

I

Y

Y

T

T

A

A

I

Q

E

C

G

V

P

P

L

V

E

D

P

-

E

-

Q

-

A

G

F

F

A

T

E

E

R

A

V

A

R

K

A

H

F

F

A

F

L

A

A

Q

G

G

K

R

G

G

M

C

N

N

V

V

T

T

A

V

P

P

F

F

K
|
K

L

E

K

E

A

A

F

Y

A

R

M

F

A

A

D

D

E

R

R

L

S

T

E

E

R

R

A

A

E

R

L

L

A

A

G

G

A

A

V

V

N

N

A

T

M

L

K

K

F

K

E

D

G

D

G

G

R

E

I

I

I

L

A

G

E

D

N

N

F

T

D
|
D

G

G

I

E

G

G

L

L

V

V

R

Q

D

D

I

L

E

L

V

A

N

Q

L

Q

G

V

L

L

P

-

M

L

A

K

G

G

K

A

R

T

V

I

L

L

L

I

G

G

A

A

G

G

A

A

R

R

G

G

A

V

L

L

L

K

P

P

F

L

L

L

A

D

A

Q

R

Q

P

P

E

A

S

S

L

I

V

T

I

V

A

T

N

N

R

R

N

T

V

F

A

A

K

K

A

A

R

E

D

Q

L

L

A

A

A

E

Q

L

V

V

G

A

A

A

H

Y

G

G

A

E

L

V

H

K

A

A

C

Q

G

A

Y

F

G

E

D

Q

L

L

Q

K

A

Q

L

-

G

-

R

S

F

Y

D

D

L

V

V

I

N

N

A

S

T

T

S

S

A

A

S

-

L

-

S

-

G

-

D

-

L

-

P

-

V

I

P

D

P

P

S

V

V

I

F

F

S

S

P

S

E

R

G

S

A

V

A

C

Y

Y

E

D

L

M

A

M

Y

Y

G

G

K

-

R

-

L

-

T

-

P

-

F

-

L

-

R

-

L

-

A

-

R

-

N

-

A

-

G

-

V

-

F

-

T

-

I

-

A

I

D

D

G

G

V

L

G

G

M

M

L

L

V

V

E

G

Q
|
Q

A

A

E

E

A

S

F

F

D

M

W

L

W

W

R

R

G

G

V

L

R

R

P

P

A

G

T

T

R

K

A

Q

V

I

I

L

E

R

R

E

L

L

T

R

V

K

P

N

L

L

E

E

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (≠ T15), S16 (= S17), K65 (= K69), D101 (= D105), Q217 (= Q250)

P43876 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) (see paper)
44% identity, 97% coverage: 3:272/277 of query aligns to 2:267/272 of P43876

query
sites
P43876

D

D

Q

L

Y

Y

A

A

V

V

I

W

G

G

N

N

P

P

I

I

G

A

H

Q

T

S

K

K

S

S

P

P

L

L

I

I

H

Q

G

N

L

K

F

L

A

A

E

A

E

Q

T

T

Q

H

Q

Q

D

T

M

M

A

E

Y

Y

T

I

A

A

I

K

E

L

G

G

P

D

L

L

E

D

P

-

E

-

Q

-

A

A

F

F

A

E

E

Q

R

Q

V

L

R

L

A

A

F

F

A

F

L

E

A

E

G

G

G

A

K

K

G

G

M

C

N

N

V

I

T

T

A

S

P

P

F

F

K

K

L

E

K

R

A

A

F

Y

A

Q

M

L

A

A

D

D

E

E

R

Y

S

S

E

Q

R

R

A

A

E

K

L

L

A

A

G

E

A

A

V

C

N

N

A

T

M

L

-

K

K

K

F

L

E

D

G

D

G

G

R

K

I

L

I

Y

A

A

E

D

N

N

F

T

D

D

G

G

I

I

G

G

L

L

V

V

R

T

D

D

I

L

E

Q

V

-

N

R

L

L

G

N

L

W

P

L

M

R

A

P

G

N

K

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

A

V

L

L

P

P

F

L

L

L

A

Q

A

A

R

Q

P

-

E

Q

S

N

L

I

V

V

I

L

A

A

N
|
N

R
|
R

N
x
T

V
x
F

A
x
S

K
|
K

A

T

R

K

D

E

L

L

A

A

A

E

Q

R

V

F

G

Q

A

P

H

Y

G

G

A

N

L

I

H

Q

A

A

C

V

G

S

Y

M

G

D

D

S

L

I

Q

-

A

P

L

L

G

Q

R

T

F

Y

D

D

L

L

V

V

V

I

N

N

A

A

T

T

S
|
S

A

A

S

G

L

L

S

S

G

G

D

G

L

T

P

A

P

S

V

V

P

D

P

A

S

E

V

I

F

L

S

K

P

L

E

G

G

S

A

A

A

F

Y

Y

E

D

L

M

A

Q

Y

Y

G

A

K

K

R

G

L

T

-

D

T

T

P

P

F

F

L

I

R

A

L

L

A

C

R

K

N

S

A

L

G

G

V

L

F

T

T

N

I

V

A

S

D

D

G

G

V

F

G

G

M

M

L

L

V

V

E

A

Q

Q

A

A

E

H

A

S

F

F

D

H

W

L

W

W

R

R

G

G

V

V

R

M

P

P

A

D

T

F

R

V

A

S

V

V

I

Y

E

E

R

Q

L

L

GAGGA 126:130 (= GAGGA 130:134) binding NADP(+)
NRTFSK 149:154 (≠ NRNVAK 154:159) binding NADP(+)
S189 (= S195) binding NADP(+)

1p77A Crystal structure of shikimate dehydrogenase (aroe) from haemophilus influenzae (see paper)
43% identity, 97% coverage: 3:272/277 of query aligns to 2:260/265 of 1p77A

query
sites
1p77A

D

D

Q

L

Y

Y

A

A

V

V

I

W

G

G

N

N

P

P

I

I

G

A

H

Q

T

S

K

K

S

S

P

P

L

L

I

I

H

Q

G

N

L

K

F

L

A

A

E

A

E

Q

T

T

Q

H

Q

Q

D

T

M

M

A

E

Y

Y

T

I

A

A

I

K

E

L

G

G

P

D

L

L

E

D

P

-

E

-

Q

-

A

A

F

F

A

E

E

Q

R

Q

V

L

R

L

A

A

F

F

A

F

L

E

A

E

G

G

G

A

K

K

G

G

M

C

N

N

V

I

T

T

A

S

P

P

F

F

K

K

L

E

K

R

A

A

F

Y

A

Q

M

L

A

A

D

D

E

E

R

Y

S

S

E

Q

R

R

A

A

E

K

L

L

A

A

G

E

A

A

V

C

N

N

A

T

M

L

-

K

K

K

F

L

E

D

G

D

G

G

R

K

I

L

I

Y

A

A

E

D

N

N

F

T

D

D

G

G

I

I

G

G

L

L

V

V

R

T

D

D

I

L

E

Q

V

-

N

R

L

L

G

N

L

W

P

L

M

R

A

P

G

N

K

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

A

V

L

L

P

P

F

L

L

L

A

Q

A

A

R

Q

P

-

E

Q

S

N

L

I

V

V

I

L

A

A

N
|
N

R
|
R

N
x
T

V

F

A

S

K
|
K

A

T

R

K

D

E

L

L

A

A

A

E

Q

R

V

F

G

Q

A

P

H

Y

G

G

A

N

L

I

H

Q

A

A

C

V

G

S

Y

M

G

D

D

S

L

I

Q

-

A

P

L

L

G

Q

R

T

F

Y

D

D

L

L

V

V

V

I

N

N

A

A

T
|
T

S
|
S

A
|
A

S

S

L

-

S

-

G

-

D

-

L

-

P

-

V

V

P

D

P

A

S

E

V

I

F

L

S

K

P

L

E

G

G

S

A

A

A

F

Y

Y

E

D

L

M

A

Q

Y

Y

G

A

K

K

-

G

R

T

L

D

T

T

P

P

F

F

L

I

R

A

L

L

A

C

R

K

N

S

A

L

G

G

V

L

F

T

T

N

I

V

A

S

D

D

G

G

V

F

G

G

M

M

L

L

V

V

E

A

Q

Q

A

A

E

H

A

S

F

F

D

H

W

L

W

W

R

R

G

G

V

V

R

M

P

P

A

D

T

F

R

V

A

S

V

V

I

Y

E

E

R

Q

L

L

binding 2'-monophosphoadenosine-5'-diphosphate: G126 (= G130), G128 (= G132), G129 (= G133), A130 (= A134), N149 (= N154), R150 (= R155), T151 (≠ N156), K154 (= K159), T188 (= T194), S189 (= S195), A190 (= A196)

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
31% identity, 97% coverage: 4:272/277 of query aligns to 2:265/269 of Q5HNV1

query
sites
Q5HNV1

Q

K

Y

F

A

A

V

V

I

I

G

G

N

N

P

P

I

I

G

S

H

H

T
x
S

K
x
L

S
|
S

P

P

L

L

I

M

H

H

G

H

L

A

F

N

A

F

E

Q

E

S

T

L

Q

N

Q

L

D

E

M

N

A

T

Y

Y

T

E

A

A

I

I

E

N

G

V

P

P

L

V

E

N

P

Q

E

F

Q

Q

A

D

F

I

A

K

E

K

R

I

V

I

R

S

A

E

F

K

A

S

L

I

A

-

G

-

K

D

G

G

M

F

N

N

V

V

T
|
T

A

I

P

P

F

H

K

K

L

E

K

R

A

I

F

I

A

P

M

Y

A

L

D

D

E

D

R

I

S

N

E

E

R

Q

A

A

E

K

L

S

A

V

G

G

A

A

V

V

N
|
N

A

T

M

V

K

L

F

V

E

K

G

D

G

G

R

K

I

W

I

I

A

G

E

Y

N

N

F

T

D
|
D

G

G

I

I

G

G

L

Y

V

V

R

N

D

G

I

L

-

K

E

Q

V

I

N

Y

L

E

G

G

L

I

P

E

M

D

A

A

G

-

K

-

R

Y

V

I

L

L

L

I

L

L

G

G

A

A

G

G

A

A

A

S

R

K

G

G

-

I

A

A

L

N

L

E

P

L

F

Y

L

K

A

I

A

V

R

R

P

P

E

-

S

T

L

L

V

T

I

V

A

A

N

N

R

R

N

T

V

M

A

S

K

R

A

F

R

N

D

N

L

W

A

S

A

L

Q

N

V

I

G

N

A

K

H

I

G

N

A

L

L

S

H

H

A

A

C

E

G

S

Y

H

G

-

D

-

L

-

Q

-

A

-

L

L

G

D

R

E

F

F

D

D

L

I

V

I

N

N

A

T

T

T

S

P

A

A

S

G

L

M

S

N

G

G

D

N

L

T

P

D

P

S

V

V

P

I

P

S

-

L

S

N

V

R

F

L

S

A

P

S

E

H

G

T

A

L

A

V

Y

S

E

D

L

I

A

V

Y
|
Y

G

N

K

P

R

Y

L

K

T

T

P

P

F

I

L

L

R

I

L

E

A

A

R

E

N

Q

A

R

G

G

V

-

F

N

T

P

I

I

A

Y

D

N

G

G

V

L

G

D

M

M

L

F

V

V

E

H

Q
|
Q

A

G

A

A

E

E

A

S

F

F

D

K

W

I

W

W

R

T

G

N

V

L

R

E

P

P

A

D

T

I

R

K

A

A

-

M

-

K

-

N

-

I

V

V

I

I

E

Q

R

K

L

L

SLS 13:15 (≠ TKS 15:17) binding shikimate
T60 (= T65) binding shikimate
N85 (= N90) binding shikimate
D100 (= D105) binding shikimate
Y211 (= Y221) 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 (= Q250) binding shikimate

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
30% identity, 97% coverage: 4:272/277 of query aligns to 2:256/258 of 3dooA

query
sites
3dooA

Q

K

Y

F

A

A

V

V

I

I

G

G

N

N

P

P

I

I

G

S

H

H

T
x
S

K

L

S
|
S

P

P

L

L

I

M

H

H

G

H

L

A

F

N

A

F

E

Q

E

S

T

L

Q

N

Q

L

D

E

M

N

A

T

Y

Y

T

E

A

A

I

I

E

N

G

V

P

P

L

V

E

N

P

Q

E

F

Q

Q

A

D

F

I

A

K

E

K

R

I

V

I

R

S

A

E

F

K

A

S

L

I

A

-

G

-

K

D

G

G

M

F

N
|
N

V

V

T
|
T

A

I

P

P

F

H

K
|
K

L

E

K

R

A

I

F

I

A

P

M

Y

A

L

D

D

E

D

R

I

S

N

E

E

R

Q

A

A

E

K

L

S

A

V

G

G

A

A

V

V

N
|
N

A

T

M

V

K

L

F

V

E

K

G

D

G

G

R

K

I

W

I

I

A

G

E

Y

N

N

F

T

D
|
D

G

G

I

I

G

G

L

Y

V

V

R

N

D

G

I

L

-

K

E

Q

V

I

N

Y

L

E

G

G

L

I

P

E

M

D

A

A

G

-

K

-

R

Y

V

I

L

L

L

I

L

L

G

G

A

A

G

G

A

A

A

S

R

K

G

G

-

I

A

A

L

N

L

E

P

L

F

Y

L

K

A

I

A

V

R

R

P

P

E

-

S

T

L

L

V

T

I

V

A

A

N

N

R

R

N

T

V

M

A

S

K

R

A

F

R

N

D

N

L

W

A

S

A

L

Q

N

V

I

G

N

A

K

H

I

G

N

A

L

L

S

H

H

A

A

C

E

G

S

Y

H

G

-

D

-

L

-

Q

-

A

-

L

L

G

D

R

E

F

F

D

D

L

I

V

I

N

N

A

T

T

T

S

-

A

-

S

-

L

-

S

-

G

-

D

-

L

-

P

P

P

V

V

I

P

S

P

L

S

N

V

R

F

L

S

A

P

S

E

H

G

T

A

L

A

V

Y

S

E

D

L

I

A

V

Y

Y

G

N

K

P

R

Y

L

K

T

T

P

P

F

I

L

L

R

I

L

E

A

A

R

E

N

Q

A

R

G

G

V

-

F

N

T

P

I

I

A

Y

D

N

G

G

V

L

G

D

M

M

L
x
F

V

V

E

H

Q
|
Q

A

G

A

A

E

E

A

S

F

F

D

K

W

I

W

W

R

T

G

N

V

L

R

E

P

P

A

D

T

I

R

K

A

A

-

M

-

K

-

N

-

I

V

V

I

I

E

Q

R

K

L

L

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S13 (≠ T15), S15 (= S17), N58 (= N63), T60 (= T65), K64 (= K69), N85 (= N90), D100 (= D105), F227 (≠ L247), Q230 (= Q250)

3phiA Shikimate 5-dehydrogenase (aroe) from helicobacter pylori in complex with shikimate and NADPH
34% identity, 95% coverage: 5:267/277 of query aligns to 6:252/259 of 3phiA

query
sites
3phiA

Y

F

A

G

V

V

I

F

G

G

N

N

P

P

I

I

G

K

H

H

T
x
S

K

K

S
|
S

P

P

L

L

I

I

H

H

G

N

-

A

-

C

-

F

-

L

L

T

F

F

A

Q

E

K

E

E

T

L

Q

R

Q

F

D

L

M

G

A

H

Y

Y

T

H

A

P

I

I

E

L

G

L

P

P

L

L

E

E

P

-

E

-

Q

-

A

-

F

-

A

S

E

H

R

I

V

K

R

S

A

E

F

F

A

L

L

H

A

L

G

G

G

L

K

S

G

G

M

A

N
|
N

V

V

T

T

A
x
L

P
|
P

F

F

K
|
K

L

E

K

R

A

A

F

F

A

Q

M

V

A

C

D

D

E

K

R

I

S

K

E

G

R

I

A

A

E

L

L

E

A

C

G

G

A

A

V

V

N
|
N

A

T

M

L

K

V

F

L

E

E

G

N

G

D

R

E

I

L

I

V

A

G

E

Y

N

N

F

T

D
|
D

G

A

I

L

G

G

L

F

V

Y

R

-

D

-

I

-

E

-

V

-

N

-

L

-

G

-

L

L

P

S

M

L

A

K

G

Y

K

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

A

L

L

L

A

P

C

F

E

L

L

A

K

R

Q

P

G

E

L

S

Q

L

V

V

S

I

V

A

L

N

N

R
|
R

N

S

V

-

A

S

K

R

A

G

R

L

D

D

L

F

A

F

A

Q

Q

R

V

L

G

G

A

C

H

D

G

C

A

F

L

M

H

E

A

P

C

-

G

-

Y

-

G

-

D

-

L

-

Q

-

A

P

L

K

G

S

R

A

F

F

D

D

L

L

V

I

N

N

A

A

T
|
T

S
|
S

A
|
A

S

S

L
|
L

S

H

G

N

D

E

L

L

P
|
P

-

L

-

N

-

K

P

E

V

V

P

L

P

K

S

G

V

Y

F

F

S

K

P

E

E

G

G

K

A

L

A

A

Y

Y

E

D

L
|
L

A

A

Y
|
Y

G

G

K

-

R

F

L

L

T

T

P

P

F

F

L

L

R

S

L

L

A

A

R

K

N

E

A

L

G

K

V

T

F

-

T

P

I

F

A

Q

D

D

G
|
G

V

K

G

D

M
|
M

L
|
L

V

I

E

Y

Q
|
Q

A

A

E

L

A

S

F

F

D

E

W

K

W

F

R

S

G

A

V

S

R

Q

-

I

P

P

A

Y

T

S

R

K

A

A

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: L66 (≠ A66), P67 (= P67), K69 (= K69), G124 (= G132), G125 (= G133), S126 (≠ A134), R146 (= R155), T177 (= T194), S178 (= S195), A179 (= A196), L181 (= L198), P186 (= P203), L205 (= L219), Y207 (= Y221), G227 (= G243), M230 (= M246), L231 (= L247)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S16 (≠ T15), S18 (= S17), N63 (= N63), K69 (= K69), N90 (= N90), D105 (= D105), Y207 (= Y221), Q234 (= Q250)

P56119 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori)
34% identity, 95% coverage: 5:267/277 of query aligns to 6:255/263 of P56119

query
sites
P56119

Y

F

A

G

V

V

I

F

G

G

N

N

P

P

I

I

G

K

H

H

T
x
S

K
|
K

S
|
S

P

P

L

L

I

I

H

H

G

N

-

A

-

C

-

F

-

L

L

T

F

F

A

Q

E

K

E

E

T

L

Q

R

Q

F

D

L

M

G

A

H

Y

Y

T

H

A

P

I

I

E

L

G

L

P

P

L

L

E

E

P

-

E

-

Q

-

A

-

F

-

A

S

E

H

R

I

V

K

R

S

A

E

F

F

A

L

L

H

A

L

G

G

G

L

K

S

G

G

M

A

N

N

V

V

T
|
T

A

L

P

P

F

F

K

K

L

E

K

R

A

A

F

F

A

Q

M

V

A

C

D

D

E

K

R

I

S

K

E

G

R

I

A

A

E

L

L

E

A

C

G

G

A

A

V

V

N
|
N

A

T

M

L

K

V

F

L

E

E

G

N

G

D

R

E

I

L

I

V

A

G

E

Y

N

N

F

T

D
|
D

G

A

I

L

G

G

L

F

V

Y

R

L

D

S

I

L

E

K

V

Q

N

K

L

-

G

-

L

-

P

-

M

-

A

N

G

Y

K

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

A

L

L

L

A

P

C

F

E

L

L

A

K

R

Q

P

G

E

L

S

Q

L

V

V

S

I

V

A

L

N

N

R

R

N

S

V

-

A

S

K

R

A

G

R

L

D

D

L

F

A

F

A

Q

Q

R

V

L

G

G

A

C

H

D

G

C

A

F

L

M

H

E

A

P

C

-

G

-

Y

-

G

-

D

-

L

-

Q

-

A

P

L

K

G

S

R

A

F

F

D

D

L

L

V

I

N

N

A

A

T

T

S
|
S

A

A

S

S

L

L

S

H

G

N

D

E

L

L

P

P

-

L

-

N

-

K

P

E

V

V

P

L

P

K

S

G

V

Y

F

F

S

K

P

E

E

G

G

K

A

L

A

A

Y

Y

E

D

L

L

A

A

Y
|
Y

G

G

K

-

R

F

L

L

T

T

P

P

F

F

L

L

R

S

L

L

A

A

R

K

N

E

A

L

G

K

V

T

F

-

T

P

I

F

A

Q

D

D

G
|
G

V

K

G

D

M

M

L

L

V

I

E

Y

Q
|
Q

A

A

E

L

A

S

F

F

D

E

W

K

W

F

R

S

G

A

V

S

R

Q

-

I

P

P

A

Y

T

S

R

K

A

A

SKS 16:18 (≠ TKS 15:17) binding shikimate
T65 (= T65) binding shikimate
N90 (= N90) binding shikimate
D105 (= D105) binding shikimate
GAGGS 125:129 (≠ GAGGA 130:134) binding NADP(+)
S181 (= S195) binding NADP(+)
Y210 (= Y221) binding shikimate
G230 (= G243) binding NADP(+)
Q237 (= Q250) binding shikimate

4fosA Crystal structure of shikimate dehydrogenase (aroe) q237a mutant from helicobacter pylori in complex with shikimate
33% identity, 95% coverage: 5:267/277 of query aligns to 6:255/263 of 4fosA

query
sites
4fosA

Y

F

A

G

V

V

I

F

G

G

N

N

P

P

I

I

G

K

H

H

T
x
S

K

K

S
|
S

P

P

L

L

I

I

H

H

G

N

-

A

-

C

-

F

-

L

L

T

F

F

A

Q

E

K

E

E

T

L

Q

R

Q

F

D

L

M

G

A

H

Y

Y

T

H

A

P

I

I

E

L

G

L

P

P

L

L

E

E

P

-

E

-

Q

-

A

-

F

-

A

S

E

H

R

I

V

K

R

S

A

E

F

F

A

L

L

H

A

L

G

G

G

L

K

S

G

G

M

A

N
|
N

V
|
V

T
|
T

A

L

P

P

F

F

K
|
K

L

E

K

R

A

A

F

F

A

Q

M

V

A

C

D

D

E

K

R

I

S

K

E

G

R

I

A

A

E

L

L

E

A

C

G

G

A

A

V

V

N
|
N

A

T

M

L

K

V

F

L

E

E

G

N

G

D

R

E

I

L

I

V

A

G

E

Y

N

N

F

T

D
|
D

G

A

I

L

G

G

L

F

V

Y

R

L

D

S

I

L

E

K

V

Q

N

K

L

-

G

-

L

-

P

-

M

-

A

N

G

Y

K

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

A

L

L

L

A

P

C

F

E

L

L

A

K

R

Q

P

G

E

L

S

Q

L

V

V

S

I

V

A

L

N

N

R

R

N

S

V

-

A

S

K

R

A

G

R

L

D

D

L

F

A

F

A

Q

Q

R

V

L

G

G

A

C

H

D

G

C

A

F

L

M

H

E

A

P

C

-

G

-

Y

-

G

-

D

-

L

-

Q

-

A

P

L

K

G

S

R

A

F

F

D

D

L

L

V

I

N

N

A

A

T

T

S

S

A

A

S

S

L

L

S

H

G

N

D

E

L

L

P

P

-

L

-

N

-

K

P

E

V

V

P

L

P

K

S

G

V

Y

F

F

S

K

P

E

E

G

G

K

A

L

A

A

Y

Y

E

D

L

L

A

A

Y
|
Y

G

G

K

-

R

F

L

L

T

T

P

P

F

F

L

L

R

S

L

L

A

A

R

K

N

E

A

L

G

K

V

T

F

-

T

P

I

F

A

Q

D

D

G

G

V

K

G

D

M

M

L
|
L

V

I

E

Y

Q

A

A

A

E

L

A

S

F

F

D

E

W

K

W

F

R

S

G

A

V

S

R

Q

-

I

P

P

A

Y

T

S

R

K

A

A

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S16 (≠ T15), S18 (= S17), N63 (= N63), V64 (= V64), T65 (= T65), K69 (= K69), N90 (= N90), D105 (= D105), Y210 (= Y221), L234 (= L247)

3phjA Shikimate 5-dehydrogenase (aroe) from helicobacter pylori in complex with 3-dehydroshikimate
33% identity, 95% coverage: 5:267/277 of query aligns to 6:247/255 of 3phjA

query
sites
3phjA

Y

F

A

G

V

V

I

F

G

G

N

N

P

P

I

I

G

K

H

H

T
x
S

K

K

S
|
S

P

P

L

L

I

I

H

H

G

N

-

A

-

C

-

F

-

L

L

T

F

F

A

Q

E

K

E

E

T

L

Q

R

Q

F

D

L

M

G

A

H

Y

Y

T

H

A

P

I

I

E

L

G

L

P

P

L

L

E

E

P

-

E

-

Q

-

A

-

F

-

A

S

E

H

R

I

V

K

R

S

A

E

F

F

A

L

L

H

A

L

G

G

G

L

K

S

G

G

M

A

N
|
N

V

V

T

T

A

L

P

P

F

F

K
|
K

L

E

K

R

A

A

F

F

A

Q

M

V

A

C

D

D

E

K

R

I

S

K

E

G

R

I

A

A

E

L

L

E

A

C

G

G

A

A

V

V

N
|
N

A

T

M

L

K

V

F

L

E

E

G

N

G

D

R

E

I

L

I

V

A

G

E

Y

N

N

F

T

D
|
D

G

A

I

L

G

G

L

F

V

Y

R

-

D

-

I

-

E

-

V

-

N

-

L

-

G

-

L

L

P

S

M

L

A

K

G

Y

K

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

A

L

L

L

A

P

C

F

E

L

L

A

K

R

Q

P

G

E

L

S

Q

L

V

V

S

I

V

A

L

N

N

R

R

N

S

V

-

A

S

K

R

A

G

R

L

D

D

L

F

A

F

A

Q

Q

R

V

L

G

G

A

C

H

D

G

C

A

F

L

M

H

E

A

P

C

-

G

-

Y

-

G

-

D

-

L

-

Q

-

A

P

L

K

G

S

R

A

F

F

D

D

L

L

V

I

N

N

A

A

T

T

S

S

A

-

S

-

L

-

S

-

G

-

D

E

L

L

P

P

-

L

-

N

-

K

P

E

V

V

P

L

P

K

S

G

V

Y

F

F

S

K

P

E

E

G

G

K

A

L

A

A

Y

Y

E

D

L

L

A

A

Y
|
Y

G

G

K

-

R

F

L

L

T

T

P

P

F

F

L

L

R

S

L

L

A

A

R

K

N

E

A

L

G

K

V

T

F

-

T

P

I

F

A

Q

D

D

G

G

V

K

G

D

M

M

L

L

V

I

E

Y

Q
|
Q

A

A

E

L

A

S

F

F

D

E

W

K

W

F

R

S

G

A

V

S

R

Q

-

I

P

P

A

Y

T

S

R

K

A

A

binding 3-dehydroshikimate: S16 (≠ T15), S18 (= S17), N63 (= N63), K69 (= K69), N90 (= N90), D105 (= D105), Y202 (= Y221), Q229 (= Q250)

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
30% identity, 94% coverage: 2:260/277 of query aligns to 6:252/267 of 2hk9B

query
sites
2hk9B

T

T

D

Q

Q

L

Y

Y

A

G

V

V

I

I

G

G

N

F

P

P

I

V

G

K

H

H

T
x
S

K

L

S
|
S

P

P

L

V

I

F

H

Q

G

N

L

A

F

L

A

I

E

R

E

Y

T

A

Q

G

Q

L

D

N

M

A

A

V

Y

Y

T

L

A

A

I

F

E

E

-

I

G

N

P

P

L

E

E

E

P

L

E

K

Q

K

A

A

F

F

A

-

E

-

R

-

V

-

R

E

A

G

F

F

A

K

L

A

A

L

G

K

G

V

K

K

G

G

M

I

N
|
N

V

V

T
|
T

A
x
V

P

P

F

F

K
|
K

L

E

K

E

A

I

F

I

A

P

M

L

A

L

D

D

E

Y

R

V

S

E

E

D

R

T

A

A

E

K

L

E

A

I

G

G

A

A

V

V

N
|
N

A

T

M

V

K

K

F

F

E

E

G

N

G

G

R

K

I

A

I

Y

A

G

E

Y

N

N

F

T

D
|
D

G

W

I

I

G

G

L

F

V

L

R

K

D

S

I

L

E

K

V

-

N

S

L

L

G

I

L

P

P

E

M

V

A

K

G

E

K

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

A

L

V

L

I

P

Y

F

A

L

L

A

V

A

K

R

E

P

G

E

A

S

K

L

V

V

F

I

L

A

W

N
|
N

R
|
R

N
x
T

V

K

A

E

K
|
K

A

A

R

I

D

K

L

L

A

A

A

Q

Q

K

V

F

G

-

A

-

H

-

G

-

A

P

L

L

H

E

A

V

C

V

G

N

Y

S

G

P

D

E

L

-

Q

E

A

V

L

I

G

D

R

K

F

V

D

Q

L

V

V

I

V

V

N

N

A

T

T
|
T

S
|
S

A
x
V

S

G

L

L

S

K

G

D

D

E

L

D

P

P

P

E

V

I

-

F

P

N

P

Y

S

D

V

L

F

I

S

K

P

K

E

D

G

H

A

V

Y

V

E

D

L
x
I

A

I

Y
|
Y

G

-

K

-

R

K

L

E

T

T

P

K

F

L

L

L

R

K

L

K

A

A

R

K

N

E

A

K

G

G

V

A

F

-

T

K

I

L

A

L

D

D

G

G

V

L

G

P

M
|
M

L
|
L

V

L

E

W

Q
|
Q

A

G

A

I

E

E

A

A

F

F

D

K

W

I

W

W

R

N

G

G

binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (≠ A66), G130 (= G130), G133 (= G133), A134 (= A134), N153 (= N154), R154 (= R155), T155 (≠ N156), K158 (= K159), T188 (= T194), S189 (= S195), V190 (≠ A196), I214 (≠ L219), M238 (= M246), L239 (= L247)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (≠ T15), S21 (= S17), N64 (= N63), T66 (= T65), K70 (= K69), N91 (= N90), D106 (= D105), Y216 (= Y221), L239 (= L247), Q242 (= Q250)

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
30% identity, 94% coverage: 2:260/277 of query aligns to 6:252/269 of 2hk9A

query
sites
2hk9A

T

T

D

Q

Q

L

Y

Y

A

G

V

V

I

I

G

G

N

F

P

P

I

V

G

K

H

H

T
x
S

K

L

S
|
S

P

P

L

V

I

F

H

Q

G

N

L

A

F

L

A

I

E

R

E

Y

T

A

Q

G

Q

L

D

N

M

A

A

V

Y

Y

T

L

A

A

I

F

E

E

-

I

G

N

P

P

L

E

E

E

P

L

E

K

Q

K

A

A

F

F

A

-

E

-

R

-

V

-

R

E

A

G

F

F

A

K

L

A

A

L

G

K

G

V

K

K

G

G

M

I

N
|
N

V

V

T

T

A
x
V

P

P

F

F

K
|
K

L

E

K

E

A

I

F

I

A

P

M

L

A

L

D

D

E

Y

R

V

S

E

E

D

R

T

A

A

E

K

L

E

A

I

G

G

A

A

V

V

N
|
N

A

T

M

V

K

K

F

F

E

E

G

N

G

G

R

K

I

A

I

Y

A

G

E

Y

N

N

F

T

D
|
D

G

W

I

I

G

G

L

F

V

L

R

K

D

S

I

L

E

K

V

-

N

S

L

L

G

I

L

P

P

E

M

V

A

K

G

E

K

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

A

L

V

L

I

P

Y

F

A

L

L

A

V

A

K

R

E

P

G

E

A

S

K

L

V

V

F

I

L

A

W

N
|
N

R
|
R

N
x
T

V

K

A

E

K

K

A

A

R

I

D

K

L

L

A

A

A

Q

Q

K

V

F

G

-

A

-

H

-

G

-

A

P

L

L

H

E

A

V

C

V

G

N

Y

S

G

P

D

E

L

-

Q

E

A

V

L

I

G

D

R

K

F

V

D

Q

L

V

V

I

V

V

N

N

A

T

T
|
T

S
|
S

A
x
V

S

G

L

L

S

K

G

D

D

E

L

D

P

P

P

E

V

I

-

F

P

N

P

Y

S

D

V

L

F

I

S

K

P

K

E

D

G

H

A

V

Y

V

E

D

L

I

A

I

Y
|
Y

G

-

K

-

R

K

L

E

T

T

P

K

F

L

L

L

R

K

L

K

A

A

R

K

N

E

A

K

G

G

V

A

F

-

T

K

I

L

A

L

D

D

G

G

V

L

G

P

M

M

L
|
L

V

L

E

W

Q
|
Q

A

G

A

I

E

E

A

A

F

F

D

K

W

I

W

W

R

N

G

G

binding 2'-monophosphoadenosine-5'-diphosphate: V67 (≠ A66), G132 (= G132), G133 (= G133), A134 (= A134), N153 (= N154), R154 (= R155), T155 (≠ N156), T188 (= T194), S189 (= S195), V190 (≠ A196)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (≠ T15), S21 (= S17), N64 (= N63), K70 (= K69), N91 (= N90), D106 (= D105), Y216 (= Y221), L239 (= L247), Q242 (= Q250)

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
29% identity, 98% coverage: 2:273/277 of query aligns to 11:286/287 of 1nvtB

query
sites
1nvtB

T

T

D

K

Q

V

Y

I

A

G

V

L

I

I

G

G

N

H

P

P

I

V

G
x
E

H
|
H

T

S

K

F

S

S

P

P

L

I

I

M

H

H

G

N

L

A

F

A

A

F

E

K

E

D

T

K

Q

G

Q

L

D

N

M

Y

A

V

Y

Y

T

V

A

A

I

F

E

D

G

V

P

L

L

P

E

E

P

N

E

L

Q

K

A

Y

F

V

A

I

E

D

R

G

V

A

R

K

A

A

F

L

A

G

L

I

A

V

G

G

G

-

K

-

G

-

M

F

N

N

V

V

T

T

A
x
I

P

P

F

H

K
|
K

L

I

K

E

A

I

F

M

A

K

M

Y

A

L

D

D

E

E