SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_028487435.1 NCBI__GCF_000483485.1:WP_028487435.1 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, 97% coverage: 3:274/279 of query aligns to 6:272/278 of Q9KVT3

query
sites
Q9KVT3

D

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L

Q

Y

Y

A

A

V

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F

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E

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T

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K

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N
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N

R
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R

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T

E
x
F

K
x
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R
x
K

A

A

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E

I

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G

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Y

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K

E

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G

-

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Y

Y

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I

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V

I

I

I

N

N

G

S

T

T

S

S

A

A

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S

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L

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D

N

G

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E

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L

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Y

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K

SKS 18:20 (= SKS 15:17) binding shikimate
N90 (= N89) binding shikimate
D106 (= D105) binding shikimate
NRTFAK 154:159 (≠ NRTEKR 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, 97% coverage: 3:274/279 of query aligns to 2:268/272 of 3pgjA

query
sites
3pgjA

D

D

L

Q

Y

Y

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A

V

V

V

F

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G

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N

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P

I

I

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N

H

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S

K

K

S
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S

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I

I

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H

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T

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L

F

F

A

A

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M

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Y

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C

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A

V

E

D

E

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T

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E

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A

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T

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L

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D

E

A

A

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E

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A

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E

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A

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A

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V

N
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T

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E

D

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D

G

G

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G

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D

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G

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E

G

G

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V

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N

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N

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Y

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Y

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V

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I

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N

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T

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S

A

A

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S

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L

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D

N

G

K

E

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P

A

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A

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R

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C

Y

Y

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M

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Y

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G

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R

R

K

K

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S15), S16 (= S17), N59 (= N62), T61 (= T64), K65 (= K68), N86 (= N89), 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, 97% coverage: 3:274/279 of query aligns to 2:264/268 of 3sefA

query
sites
3sefA

D

D

L

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A

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-

A

-

H

-

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K

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S

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I

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D

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A

-

E

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E

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R

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A

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A

A

H

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A

A

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V

N

N

T

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N

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E

D

D

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G

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D

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G

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A

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E

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A

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Y

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A

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N

N

G
x
S

T
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T

S
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S

A
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A

S

S

L

L

D

D

N

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E

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Y

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M
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M

Y

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K

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G

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G

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M

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G

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A

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F

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M

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L

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W

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R

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G

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A

K

E

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L

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K

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G124 (= G132), A126 (= A134), N146 (= N154), R147 (= R155), T148 (= T156), S183 (≠ G192), T184 (= T193), S185 (= S194), A186 (= A195), M210 (= M219)

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
43% identity, 97% coverage: 3:274/279 of query aligns to 2:241/244 of 3sefC

query
sites
3sefC

D

D

L

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Y

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A

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V

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N

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N

H

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S

K

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S
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S

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T

F

I

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H

H

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F

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A

A

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M

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Y

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A

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C

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P

A

V

E

D

E

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T

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D

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F

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E

A

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A

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D

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F

K

F

N

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G

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G

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G

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C

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N

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Y

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K
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K

L

E

D

E

A

A

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Y

E

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Y

F

A

A

D

D

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Q

E

R

R

A

A

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R

T

L

A

A

H

G

A

A

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V

N

N

T

T

F

-

I

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F

K

N

K

E

D

D

D

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L

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G

D

D

N

N

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D
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D

G

G

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E

G

G

L

L

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N

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D

D

I

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E

L

E

A

N

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G

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K

Q

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P

L

L

L

A

K

K

G

Q

A

K

T

I

I

L

L

I

L

L

I

G

G

A

A

G

G

A

A

V

A

Q

R

G

G

I

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L

L

E

K

P

P

I

L

D

D

K

Q

Q

Q

P

P

A

A

A

S

I

I

H

T

I

V

A

T

N

N

R

R

T

T

E

F

K

A

R

K

A

A

Q

E

I

Q

L

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A

E

E

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K

A

D

A

N

Y

F

G

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E

I

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K

A

A

S

Q

G

A

W

F

E

E

N

Q

I

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P

K

E

Q

G

-

S

S

Y

Y

D

D

I

V

V

I

I

I

N

N

G

S

T

T

S

S

A

A

S

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L

-

D

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N

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K

-

L

I

P

D

P

P

I

V

A

I

E

F

S

S

T

S

I

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G

-

A

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R

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S

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V

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C

Y

Y

D

D

M

M

Y

Y

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G

Q

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K

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P

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F

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M

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A

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K

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I

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D

G

G

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M

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G

Q
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Q

A

A

E

E

A

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F

F

Y

M

L

L

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W

R

R

G

G

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L

R

R

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P

Q

G

T

T

A

K

E

Q

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L

E

R

T

E

V

L

R

R

K

K

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S15), S16 (= S17), K65 (= K68), D101 (= D105), Q217 (= Q250)

P15770 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Escherichia coli (strain K12) (see paper)
43% identity, 97% coverage: 5:274/279 of query aligns to 4:268/272 of P15770

query
sites
P15770

Y

Y

A

A

V

V

V

F

G

G

Y

N

P

P

I

I

A

A

H

H

S

S

K

K

S

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P

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F

I

I

H

H

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L

Q

F

F

A

A

E

Q

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N

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D

E

M

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T

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Y

Y

E

G

A

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I

V

L

L

I

-

D

-

A

A

E

P

E

I

T

N

D

D

F

F

S

I

W

N

A

T

M

L

A

N

D

A

L

F

K

F

N

S

R

A

G

G

Y

G

K

K

G

G

I

A

N

N

I

V

T

T

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V

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P

Y

F

K

K

L

E

D

E

A

A

F

F

E

A

Y

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A

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E

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E

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R

A

A

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A

T

L

A

A

H

G

A

A

V

V

N

N

T

T

F

L

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M

F

R

N

L

E

E

D

D

G

G

S

R

T

L

L

L

G

G

D

D

N

N

T

T

D

D

G

G

I

V

G

G

L

L

V

L

N

S

D

D

I

L

E

E

E

R

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L

N

S

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K

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R

P

P

L

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A

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K

G

Q

L

K

R

I

I

L

L

I

L

L

I

G
|
G

A
|
A

G
|
G

A
|
A

V

S

Q

R

G

G

I

V

L

L

E

L

P

P

I

L

D

S

K

L

Q

D

P

-

A

C

A

A

I

V

H

T

I

I

A

T

N
|
N

R
|
R

T
|
T

E
x
V

K
x
S

R
|
R

A

A

Q

E

I

E

L

L

G

A

E

K

R

L

F

F

K

A

D

H

N

T

F

G

S

S

I

I

S

Q

A

A

S

L

G

S

W

M

E

D

N

E

I

L

P

E

E

G

G

H

S

E

Y

F

D

D

I

L

V

I

I

I

N

N

G

A

T

T

S

S

A

S

S

G

L

I

D

S

N

G

K

D

L

I

P

P

P

A

I

I

A

P

E

S

S

S

T

L

I

I

G

H

A

P

N

G

T

I

L

Y

V

C

Y

Y

D

D

M
|
M

M

F

Y

Y

G

Q

Q

K

K

G

P

K

T

T

V

P

F

F

M

L

E

A

W

W

A

C

K

E

Q

Q

I

-

Q

R

P

G

Q

S

C

K

Q

R

T

N

M

A

D

D

G
|
G

L

L

G

G

M

M

L

L

V

V

G

A

Q

Q

A

A

E

H

A

A

F

F

Y

L

L

L

W

W

R

H

G

G

V

V

R

L

P

P

Q

D

T

V

A

E

E

P

V

V

I

I

E

K

T

Q

V

L

R

Q

K

E

GAGGA 126:130 (= GAGGA 130:134) binding NADP(+)
NRTVSR 149:154 (≠ NRTEKR 154:159) binding NADP(+)
M213 (= M218) binding NADP(+)
G237 (= G243) binding NADP(+)

1nytA Shikimate dehydrogenase aroe complexed with NADP+ (see paper)
43% identity, 97% coverage: 5:274/279 of query aligns to 4:268/271 of 1nytA

query
sites
1nytA

Y

Y

A

A

V

V

V

F

G

G

Y

N

P

P

I

I

A

A

H

H

S

S

K

K

S

S

P

P

T

F

I

I

H

H

R

Q

L

Q

F

F

A

A

E

Q

Q

Q

T

L

G

N

Q

I

D

E

M

H

T

P

Y

Y

E

G

A

R

I

V

L

L

I

-

D

-

A

A

E

P

E

I

T

N

D

D

F

F

S

I

W

N

A

T

M

L

A

N

D

A

L

F

K

F

N

S

R

A

G

G

Y

G

K

K

G

G

I

A

N

N

I

V

T

T

V

V

P

P

Y

F

K
|
K

L

E

D

E

A

A

F

F

E

A

Y

R

A

A

D

D

S

E

L

L

S

T

Q

E

R

R

A

A

Q

A

T

L

A

A

H

G

A

A

V

V

N

N

T

T

F

L

I

M

F

R

N

L

E

E

D

D

G

G

S

R

T

L

L

L

G

G

D

D

N

N

T

T

D
|
D

G

G

I

V

G

G

L

L

V

L

N

S

D

D

I

L

E

E

E

R

-

L

N

S

G

F

K

I

R

R

P

P

L

-

A

-

K

G

Q

L

K

R

I

I

L

L

I

L

L

I

G

G

A

A

G
|
G

A
|
A

V

S

Q

R

G

G

I

V

L

L

E

L

P

P

I

L

D

S

K

L

Q

D

P

-

A

C

A

A

I

V

H

T

I

I

A

T

N
|
N

R
|
R

T
|
T

E

V

K

S

R
|
R

A

A

Q

E

I

E

L

L

G

A

E

K

R

L

F

F

K

A

D

H

N

T

F

G

S

S

I

I

S

Q

A

A

S

L

G

S

W

M

E

D

N

E

I

L

P

E

E

G

G

H

S

E

Y

F

D

D

I

L

V

I

I

I

N

N

G

A

T
|
T

S
|
S

A
x
S

S

G

L

I

D

S

N

G

K

D

L

I

P

P

P

A

I

I

A

P

E

S

S

S

T

L

I

I

G

H

A

P

N

G

T

I

L

Y

V

C

Y

Y

D

D

M
|
M

M

F

Y

Y

G

Q

Q

K

K

G

P

K

T

T

V

P

F

F

M

L

E

A

W

W

A

C

K

E

Q

Q

I

-

Q

R

P

G

Q

S

C

K

Q

R

T

N

M

A

D

D

G
|
G

L

L

G

G

M
|
M

L
|
L

V

V

G

A

Q

Q

A

A

E

H

A

A

F

F

Y

L

L

L

W

W

R

H

G

G

V

V

R

L

P

P

Q

D

T

V

A

E

E

P

V

V

I

I

E

K

T

Q

V

L

R

Q

K

E

binding nadp nicotinamide-adenine-dinucleotide phosphate: K65 (= K68), D102 (= D105), G128 (= G132), G129 (= G133), A130 (= A134), N149 (= N154), R150 (= R155), T151 (= T156), R154 (= R159), T188 (= T193), S189 (= S194), S190 (≠ A195), M213 (= M218), G237 (= G243), M240 (= M246), L241 (= L247)

P43876 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) (see paper)
43% identity, 98% coverage: 3:276/279 of query aligns to 2:271/272 of P43876

query
sites
P43876

D

D

L

L

Y

Y

A

A

V

V

V

W

G

G

Y

N

P

P

I

I

A

A

H

Q

S

S

K

K

S

S

P

P

T

L

I

I

H

Q

R

N

L

K

F

L

A

A

E

A

Q

Q

T

T

G

H

Q

Q

D

T

M

M

T

E

Y

Y

E

I

A

A

I

K

L

L

I

G

D

D

A

L

E

D

E

A

T

-

D

-

F

F

S

E

W

Q

A

Q

M

L

A

L

D

A

L

F

K

F

N

E

R

E

G

G

Y

A

K

K

G

G

I

C

N

N

I

I

T

T

V

S

P

P

Y

F

K

K

L

E

D

R

A

A

F

Y

E

Q

Y

L

A

A

D

D

S

E

L

Y

S

S

Q

Q

R

R

A

A

Q

K

T

L

A

A

H

E

A

A

V

C

N

N

T

T

F

L

I

K

F

K

N

L

E

D

D

D

G

G

S

K

T

L

L

Y

G

A

D

D

N

N

T

T

D

D

G

G

I

I

G

G

L

L

V

V

N

T

D

D

I

L

E

Q

E

R

-

L

N

N

G

W

K

L

R

R

P

P

L

-

A

-

K

N

Q

Q

K

H

I

V

L

L

I

I

L

L

G
|
G

A
|
A

G
|
G

A
|
A

V

T

Q

K

G

G

I

V

L

L

E

L

P

P

I

L

D

Q

K

A

Q

Q

P

Q

A

-

A

N

I

I

H

V

I

L

A

A

N
|
N

R
|
R

T
|
T

E
x
F

K
x
S

R
x
K

A

T

Q

K

I

E

L

L

G

A

E

E

R

R

F

F

K

Q

D

P

N

Y

F

G

S

N

I

I

S

Q

A

A

S

V

G

S

W

M

E

D

N

S

I

I

P

P

E

L

G

Q

S

T

Y

Y

D

D

I

L

V

V

I

I

N

N

G

A

T

T

S
|
S

A

A

S

G

L

L

D

S

N

G

K

G

L

T

P

A

P

S

I

V

A

D

E

A

S

E

T

I

I

L

G

K

A

L

N

G

T

S

L

A

V

F

Y

Y

D

D

M

M

M

Q

Y

Y

G

A

Q

K

-

G

K

T

P

D

T

T

V

P

F

F

M

I

E

A

W

L

A

C

K

K

Q

S

I

L

Q

-

P

G

Q

L

C

T

Q

N

T

V

M

S

D

D

G

G

L

F

G

G

M

M

L

L

V

V

G

A

Q

Q

A

A

E

H

A

S

F

F

Y

H

L

L

W

W

R

R

G

G

V

V

R

M

P

P

Q

D

T

F

A

V

E

S

V

V

I

Y

E

E

T

Q

V

L

R

K

K

K

L

A

M

M

GAGGA 126:130 (= GAGGA 130:134) binding NADP(+)
NRTFSK 149:154 (≠ NRTEKR 154:159) binding NADP(+)
S189 (= S194) binding NADP(+)

1p77A Crystal structure of shikimate dehydrogenase (aroe) from haemophilus influenzae (see paper)
44% identity, 98% coverage: 3:276/279 of query aligns to 2:264/265 of 1p77A

query
sites
1p77A

D

D

L

L

Y

Y

A

A

V

V

V

W

G

G

Y

N

P

P

I

I

A

A

H

Q

S

S

K

K

S

S

P

P

T

L

I

I

H

Q

R

N

L

K

F

L

A

A

E

A

Q

Q

T

T

G

H

Q

Q

D

T

M

M

T

E

Y

Y

E

I

A

A

I

K

L

L

I

G

D

D

A

L

E

D

E

A

T

-

D

-

F

F

S

E

W

Q

A

Q

M

L

A

L

D

A

L

F

K

F

N

E

R

E

G

G

Y

A

K

K

G

G

I

C

N

N

I

I

T

T

V

S

P

P

Y

F

K

K

L

E

D

R

A

A

F

Y

E

Q

Y

L

A

A

D

D

S

E

L

Y

S

S

Q

Q

R

R

A

A

Q

K

T

L

A

A

H

E

A

A

V

C

N

N

T

T

F

L

I

K

F

K

N

L

E

D

D

D

G

G

S

K

T

L

L

Y

G

A

D

D

N

N

T

T

D

D

G

G

I

I

G

G

L

L

V

V

N

T

D

D

I

L

E

Q

E

R

-

L

N

N

G

W

K

L

R

R

P

P

L

-

A

-

K

N

Q

Q

K

H

I

V

L

L

I

I

L

L

G
|
G

A

A

G
|
G

A
|
A

V

T

Q

K

G

G

I

V

L

L

E

L

P

P

I

L

D

Q

K

A

Q

Q

P

Q

A

-

A

N

I

I

H

V

I

L

A

A

N
|
N

R
|
R

T
|
T

E

F

K

S

R
x
K

A

T

Q

K

I

E

L

L

G

A

E

E

R

R

F

F

K

Q

D

P

N

Y

F

G

S

N

I

I

S

Q

A

A

S

V

G

S

W

M

E

D

N

S

I

I

P

P

E

L

G

Q

S

T

Y

Y

D

D

I

L

V

V

I

I

N

N

G

A

T
|
T

S
|
S

A
|
A

S

S

L

V

D

D

N

A

K

E

L

I

P

L

P

K

I

L

A

G

E

S

S

A

T

-

I

-

G

-

A

-

N

-

T

-

L

-

V

F

Y

Y

D

D

M

M

M

Q

Y

Y

G

A

Q

K

-

G

K

T

P

D

T

T

V

P

F

F

M

I

E

A

W

L

A

C

K

K

Q

S

I

L

Q

-

P

G

Q

L

C

T

Q

N

T

V

M

S

D

D

G

G

L

F

G

G

M

M

L

L

V

V

G

A

Q

Q

A

A

E

H

A

S

F

F

Y

H

L

L

W

W

R

R

G

G

V

V

R

M

P

P

Q

D

T

F

A

V

E

S

V

V

I

Y

E

E

T

Q

V

L

R

K

K

K

L

A

M

M

binding 2'-monophosphoadenosine-5'-diphosphate: G126 (= G130), G128 (= G132), G129 (= G133), A130 (= A134), N149 (= N154), R150 (= R155), T151 (= T156), K154 (≠ R159), T188 (= T193), S189 (= S194), A190 (= A195)

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
33% identity, 98% coverage: 2:275/279 of query aligns to 6:267/269 of O67049

query
sites
O67049

T

T

D

Q

L

L

Y

Y

A

G

V

V

V

I

G

G

Y

F

P

P

I

V

A

K

H

H

S
|
S

K
x
L

S
|
S

P

P

T

V

I

F

H

Q

R

N

L

A

F

L

A

I

E

R

Q

Y

T

A

G

G

Q

L

D

N

M

A

T

V

Y

Y

E

L

A

A

I

F

L

E

I

I

D

N

A

P

E

E

T

-

D

-

F

L

S

K

W

K

A

A

M

F

A

E

D

G

L

F

K

K

N

A

R

L

G

K

Y

V

K

K

G

G

I

I

N

N

I

V

T

T

V

V

P

P

Y

F

K

K

L

E

D

E

A

I

F

I

E

P

Y

L

A

L

D

D

S

Y

L

V

S

E

Q
x
D

R

T

A

A

Q

K

T

E

A

I

H

G

A

A

V

V

N
|
N

T

T

F

V

I

K

F

F

N

-

E

E

D

N

G

G

S

K

T

A

L

Y

G

G

D

Y

N

N

T

T

D
|
D

G

W

I

I

G

G

L

F

V

L

N

K

D

S

I

L

E

K

E

-

N

-

G

S

K

L

R

I

P

P

L

E

A

V

K

K

Q

E

K

K

-

S

I

I

L

L

I

V

L

L

G
|
G

A
|
A

G
|
G

A
|
A

V

S

Q

R

G

A

I

V

L

I

E

Y

P

A

I

L

I

V

D

-

K

K

Q

E

P

G

A

A

A

K

I

V

H

F

I

L

A

W

N

N

R

R

T

T

E

K

K

E

R

K

A

A

Q

I

I

K

L

L

G

A

E

Q

R

K

F

F

K

P

D

L

N

E

F

V

S

V

I

-

S

-

A

-

S

-

G

-

W

-

E

-

N

N

I

S

P

P

E

E

G

E

S

V

Y

I

D

D

-

K

-

V

-

Q

I

V

V

I

I

V

N

N

G

T

T

T

S

S

A

V

S

G

L

L

D

K

N

D

K

K

L

D

P

P

P

E

I

I

A

F

E

N

-

Y

S

D

T

L

I

I

G

K

A

K

N

D

T

H

L

V

V

V

Y

V

D

D

M
x
I

M

I

Y
|
Y

G

-

Q

-

K

K

P

E

T

T

V

K

F

L

M

L

E

K

W

K

A

A

K

K

Q

-

I

-

Q

E

P

K

Q

G

C

A

Q

K

T

L

M

F

D

D

G
|
G

L

L

G

P

M

M

L

L

V

L

G

W

Q
|
Q

A

G

A

I

E

E

A

A

F

F

Y

K

L

I

W

W

R

N

G

G

V

C

R

E

P

V

Q

P

T

Y

A

S

E

V

V

A

I

E

E

R

T

S

V

V

R

R

K

D

L

L

SLS 19:21 (≠ SKS 15:17) binding shikimate
D82 (≠ Q80) binding NADP(+)
N91 (= N89) binding shikimate
D106 (= D105) binding shikimate
GAGGA 130:134 (= GAGGA 130:134) binding NADP(+)
I214 (≠ M218) binding NADP(+)
Y216 (= Y220) binding shikimate
G235 (= G243) binding NADP(+)
Q242 (= Q250) binding shikimate

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
33% identity, 98% coverage: 2:275/279 of query aligns to 6:267/267 of 2hk9B

query
sites
2hk9B

T

T

D

Q

L

L

Y

Y

A

G

V

V

V

I

G

G

Y

F

P

P

I

V

A

K

H

H

S
|
S

K

L

S
|
S

P

P

T

V

I

F

H

Q

R

N

L

A

F

L

A

I

E

R

Q

Y

T

A

G

G

Q

L

D

N

M

A

T

V

Y

Y

E

L

A

A

I

F

L

E

I

I

D

N

A

P

E

E

T

-

D

-

F

L

S

K

W

K

A

A

M

F

A

E

D

G

L

F

K

K

N

A

R

L

G

K

Y

V

K

K

G

G

I

I

N
|
N

I

V

T
|
T

V
|
V

P

P

Y

F

K
|
K

L

E

D

E

A

I

F

I

E

P

Y

L

A

L

D

D

S

Y

L

V

S

E

Q

D

R

T

A

A

Q

K

T

E

A

I

H

G

A

A

V

V

N
|
N

T

T

F

V

I

K

F

F

N

-

E

E

D

N

G

G

S

K

T

A

L

Y

G

G

D

Y

N

N

T

T

D
|
D

G

W

I

I

G

G

L

F

V

L

N

K

D

S

I

L

E

K

E

-

N

-

G

S

K

L

R

I

P

P

L

E

A

V

K

K

Q

E

K

K

-

S

I

I

L

L

I

V

L

L

G
|
G

A

A

G

G

G
|
G

A
|
A

V

S

Q

R

G

A

I

V

L

I

E

Y

P

A

I

L

I

V

D

-

K

K

Q

E

P

G

A

A

A

K

I

V

H

F

I

L

A

W

N
|
N

R
|
R

T
|
T

E

K

K

E

R
x
K

A

A

Q

I

I

K

L

L

G

A

E

Q

R

K

F

F

K

P

D

L

N

E

F

V

S

V

I

-

S

-

A

-

S

-

G

-

W

-

E

-

N

N

I

S

P

P

E

E

G

E

S

V

Y

I

D

D

-

K

-

V

-

Q

I

V

V

I

I

V

N

N

G

T

T
|
T

S
|
S

A
x
V

S

G

L

L

D

K

N

D

K

E

L

D

P

P

P

E

I

I

A

F

E

N

-

Y

S

D

T

L

I

I

G

K

A

K

N

D

T

H

L

V

V

V

Y

V

D

D

M
x
I

M

I

Y
|
Y

G

-

Q

-

K

K

P

E

T

T

V

K

F

L

M

L

E

K

W

K

A

A

K

K

Q

-

I

-

Q

E

P

K

Q

G

C

A

Q

K

T

L

M

L

D

D

G

G

L

L

G

P

M
|
M

L
|
L

V

L

G

W

Q
|
Q

A

G

A

I

E

E

A

A

F

F

Y

K

L

I

W

W

R

N

G

G

V

C

R

E

P

V

Q

P

T

Y

A

S

E

V

V

A

I

E

E

R

T

S

V

V

R

R

K

D

L

L

binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (= V65), G130 (= G130), G133 (= G133), A134 (= A134), N153 (= N154), R154 (= R155), T155 (= T156), K158 (≠ R159), T188 (= T193), S189 (= S194), V190 (≠ A195), I214 (≠ M218), M238 (= M246), L239 (= L247)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S15), S21 (= S17), N64 (= N62), T66 (= T64), K70 (= K68), N91 (= N89), D106 (= D105), Y216 (= Y220), 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)
33% identity, 98% coverage: 2:275/279 of query aligns to 6:267/269 of 2hk9A

query
sites
2hk9A

T

T

D

Q

L

L

Y

Y

A

G

V

V

V

I

G

G

Y

F

P

P

I

V

A

K

H

H

S
|
S

K

L

S
|
S

P

P

T

V

I

F

H

Q

R

N

L

A

F

L

A

I

E

R

Q

Y

T

A

G

G

Q

L

D

N

M

A

T

V

Y

Y

E

L

A

A

I

F

L

E

I

I

D

N

A

P

E

E

T

-

D

-

F

L

S

K

W

K

A

A

M

F

A

E

D

G

L

F

K

K

N

A

R

L

G

K

Y

V

K

K

G

G

I

I

N
|
N

I

V

T

T

V
|
V

P

P

Y

F

K
|
K

L

E

D

E

A

I

F

I

E

P

Y

L

A

L

D

D

S

Y

L

V

S

E

Q

D

R

T

A

A

Q

K

T

E

A

I

H

G

A

A

V

V

N
|
N

T

T

F

V

I

K

F

F

N

-

E

E

D

N

G

G

S

K

T

A

L

Y

G

G

D

Y

N

N

T

T

D
|
D

G

W

I

I

G

G

L

F

V

L

N

K

D

S

I

L

E

K

E

-

N

-

G

S

K

L

R

I

P

P

L

E

A

V

K

K

Q

E

K

K

-

S

I

I

L

L

I

V

L

L

G

G

A

A

G
|
G

A
|
A

V

S

Q

R

G

A

I

V

L

I

E

Y

P

A

I

L

I

V

D

-

K

K

Q

E

P

G

A

A

A

K

I

V

H

F

I

L

A

W

N
|
N

R
|
R

T
|
T

E

K

K

E

R

K

A

A

Q

I

I

K

L

L

G

A

E

Q

R

K

F

F

K

P

D

L

N

E

F

V

S

V

I

-

S

-

A

-

S

-

G

-

W

-

E

-

N

N

I

S

P

P

E

E

G

E

S

V

Y

I

D

D

-

K

-

V

-

Q

I

V

V

I

I

V

N

N

G

T

T
|
T

S
|
S

A
x
V

S

G

L

L

D

K

N

D

K

E

L

D

P

P

P

E

I

I

A

F

E

N

-

Y

S

D

T

L

I

I

G

K

A

K

N

D

T

H

L

V

V

V

Y

V

D

D

M

I

Y
|
Y

G

-

Q

-

K

K

P

E

T

T

V

K

F

L

M

L

E

K

W

K

A

A

K

K

Q

-

I

-

Q

E

P

K

Q

G

C

A

Q

K

T

L

M

L

D

D

G

G

L

L

G

P

M

M

L
|
L

V

L

G

W

Q
|
Q

A

G

A

I

E

E

A

A

F

F

Y

K

L

I

W

W

R

N

G

G

V

C

R

E

P

V

Q

P

T

Y

A

S

E

V

V

A

I

E

E

R

T

S

V

V

R

R

K

D

L

L

binding 2'-monophosphoadenosine-5'-diphosphate: V67 (= V65), G132 (= G132), G133 (= G133), A134 (= A134), N153 (= N154), R154 (= R155), T155 (= T156), T188 (= T193), S189 (= S194), V190 (≠ A195)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S15), S21 (= S17), N64 (= N62), K70 (= K68), N91 (= N89), D106 (= D105), Y216 (= Y220), L239 (= L247), Q242 (= Q250)

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
32% identity, 93% coverage: 5:263/279 of query aligns to 3:252/269 of Q5HNV1

query
sites
Q5HNV1

Y

F

A

A

V

V

V

I

G

G

Y

N

P

P

I

I

A

S

H

H

S
|
S

K
x
L

S
|
S

P

P

T

L

I

M

H

H

R

H

L

A

F

N

A

F

E

Q

Q

S

T

L

G

N

Q

L

D

E

M

N

T

T

Y

Y

E

E

A

A

I

I

L

N

I

V

D

P

A

V

E

N

E

Q

T

-

D

-

F

F

S

Q

W

D

A

I

M

K

A

K

D

I

L

I

K

S

N

E

R

K

G

S

Y

I

K

D

G

G

I

F

N

N

I

V

T
|
T

V

I

P

P

Y

H

K

K

L

E

D

R

A

I

F

I

E

P

Y

Y

A

L

D

D

S

D

L

I

S

N

Q

E

R

Q

A

A

Q

K

T

S

A

V

H

G

A

A

V

V

N
|
N

T

T

F

V

I

L

F

V

N

-

E

K

D

D

G

G

S

K

T

W

L

I

G

G

D

Y

N

N

T

T

D
|
D

G

G

I

I

G

G

L

Y

V

V

N

N

D

G

I

L

E

K

E

Q

N

-

G

I

K

Y

R

E

P

G

L

I

A

E

K

D

Q

A

K

Y

I

I

L

L

I

I

L

L

G

G

A

A

G

G

A

A

V

S

Q

K

G

G

I

I

L

A

E

N

P

E

I

L

I

Y

D

K

K

I

Q

V

P

R

A

P

A

T

I

L

H

T

I

V

A

A

N

N

R

R

T

T

E

M

K

S

R

R

A

F

Q

N

I

N

L

W

G

S

E

L

R

N

F

I

-

N

K

K

D

I

N

N

F

L

S

S

I

H

S

A

A

E

S

S

G

H

W

L

E

D

N

-

I

-

P

-

E

-

G

-

S

E

Y

F

D

D

I

I

V

I

I

I

N

N

G

T

T

T

S

P

A

A

S

G

L

M

D

N

-

G

N

N

K

T

L

D

P

S

P

V

I

I

A

S

E

L

S

N

T

R

I

L

G

A

A

S

N

H

T

T

L

L

V

V

Y

S

D

D

M

I

M

V

Y
|
Y

G

N

-

P

Q

Y

K

K

P

T

T

P

V

I

F

L

M

I

E

E

W

A

A

E

K

Q

Q

R

I

G

Q

N

P

P

Q

-

C

-

Q

-

T

I

M

Y

D

N

G

G

L

L

G

D

M

M

L

F

V

V

G

H

Q
|
Q

A

G

A

A

E

E

A

S

F

F

Y

K

L

I

W

W

R

T

G

N

V

L

R

E

P

P

SLS 13:15 (≠ SKS 15:17) binding shikimate
T60 (= T64) binding shikimate
N85 (= N89) binding shikimate
D100 (= D105) binding shikimate
Y211 (= Y220) 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)
32% identity, 93% coverage: 5:263/279 of query aligns to 3:243/258 of 3dooA

query
sites
3dooA

Y

F

A

A

V

V

V

I

G

G

Y

N

P

P

I

I

A

S

H

H

S
|
S

K

L

S
|
S

P

P

T

L

I

M

H

H

R

H

L

A

F

N

A

F

E

Q

Q

S

T

L

G

N

Q

L

D

E

M

N

T

T

Y

Y

E

E

A

A

I

I

L

N

I

V

D

P

A

V

E

N

E

Q

T

-

D

-

F

F

S

Q

W

D

A

I

M

K

A

K

D

I

L

I

K

S

N

E

R

K

G

S

Y

I

K

D

G

G

I

F

N
|
N

I

V

T
|
T

V

I

P

P

Y

H

K
|
K

L

E

D

R

A

I

F

I

E

P

Y

Y

A

L

D

D

S

D

L

I

S

N

Q

E

R

Q

A

A

Q

K

T

S

A

V

H

G

A

A

V

V

N
|
N

T

T

F

V

I

L

F

V

N

-

E

K

D

D

G

G

S

K

T

W

L

I

G

G

D

Y

N

N

T

T

D
|
D

G

G

I

I

G

G

L

Y

V

V

N

N

D

G

I

L

E

K

E

Q

N

-

G

I

K

Y

R

E

P

G

L

I

A

E

K

D

Q

A

K

Y

I

I

L

L

I

I

L

L

G

G

A

A

G

G

A

A

V

S

Q

K

G

G

I

I

L

A

E

N

P

E

I

L

I

Y

D

K

K

I

Q

V

P

R

A

P

A

T

I

L

H

T

I

V

A

A

N

N

R

R

T

T

E

M

K

S

R

R

A

F

Q

N

I

N

L

W

G

S

E

L

R

N

F

I

-

N

K

K

D

I

N

N

F

L

S

S

I

H

S

A

A

E

S

S

G

H

W

L

E

D

N

-

I

-

P

-

E

-

G

-

S

E

Y

F

D

D

I

I

V

I

I

I

N

N

G

T

T

T

S

-

A

-

S

-

L

-

D

-

N

-

K

-

L

-

P

P

P

V

I

I

A

S

E

L

S

N

T

R

I

L

G

A

A

S

N

H

T

T

L

L

V

V

Y

S

D

D

M

I

M

V

Y

Y

G

N

-

P

Q

Y

K

K

P

T

T

P

V

I

F

L

M

I

E

E

W

A

A

E

K

Q

Q

R

I

G

Q

N

P

P

Q

-

C

-

Q

-

T

I

M

Y

D

N

G

G

L

L

G

D

M

M

L
x
F

V

V

G

H

Q
|
Q

A

G

A

A

E

E

A

S

F

F

Y

K

L

I

W

W

R

T

G

N

V

L

R

E

P

P

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S13 (= S15), S15 (= S17), N58 (= N62), T60 (= T64), K64 (= K68), N85 (= N89), D100 (= D105), F227 (≠ L247), Q230 (= Q250)

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)
32% identity, 94% coverage: 2:264/279 of query aligns to 6:268/282 of Q58484

query
sites
Q58484

T

T

D

K

L

V

Y

I

A

G

V

L

V

I

G

G

Y

H

P

P

I

V

A

E

H

H

S

S

K

F

S

S

P

P

T

I

I

M

H

H

R

N

L

A

F

A

A

F

E

K

Q

D

T

K

G

G

Q

L

D

N

M

Y

T

V

Y

Y

E

V

A

A

I

F

L

-

I

-

D

D

A

V

E

L

E

P

T

E

D

N

F

L

S

K

W

Y

A

V

M

I

A

D

D

G

L

A

K

K

N

A

R

L

G

G

Y

I

K

V

G

G

I

F

N

N

I

V

T

T

V

I

P

P

Y

H

K

K

L

I

D

E

A

I

F

M

E

K

Y

Y

A

L

D

D

S

E

L

I

S

D

Q

K

R

D

A

A

Q

Q

T

L

A

I

H

G

A

A

V

V

N

N

T

T

F

-

I

I

F

K

N

I

E

E

D

D

G

G

S

K

T

A

L

I

G

G

D

Y

N

N

T

T

D

D

G

G

I

I

G

G

L

A

V

R

N

M

D

A

I

L

E

E

N

E

G

I

K

G

R

R

P

V

L

K

A

D

K

K

Q

N

K

I

I

V

L

I

I

Y

L
x
G

G
x
A

A
x
G

G
|
G

G
x
A

A

A

V

R

Q

A

G

V

I

A

L

F

E

E

P

L

I

A

I

K

D

D

K

N

Q

N

P

-

A

-

I

I

H

I

I

I

A

A

N
|
N

R
|
R

T
|
T

E
x
V

K
x
E

R
x
K

A

A

Q

E

I

A

L

L

-

A

-

K

-

E

-

I

G

A

E

E

R

K

F

L

K

N

D

K

N

K

F

F

-

G

-

E

S

E

I

V

S

K

A

F

S

S

G

G

W

L

E

D

N

V

I

D

P

L

E

D

G

G

S

-

Y

V

D

D

I

I

V

I

I

I

N

N

G

A

T
|
T

S

P

A

I

S

G

L
x
M

D

Y

N

P

K

N

L

I

-

D

-

V

-

E

P

P

P

I

I

V

A

K

E

A

S

E

T

K

I

L

G

R

A

E

N

D

T

M

L

V

V

V

Y

M

D

D

M
x
L

M

I

Y

Y

G

N

Q

P

K

L

P

E

T

T

V

V

F

L

M

L

E

K

W

E

A

A

K

K

Q

K

I

V

Q

-

P

-

Q

N

C

A

Q

K

T

T

M

I

D

N

G

G

L

L

G

G

M

M

L

L

V

I

G

Y

Q

Q

A

G

A

A

E

V

A

A

F

F

Y

K

L

I

W

W

R

T

G

G

V

V

R

E

P

P

Q

N

GAGGA 130:134 (≠ LGAGG 129:133) binding NADP(+)
NRTVEK 152:157 (≠ NRTEKR 154:159) binding NADP(+)
T196 (= T193) binding NADP(+)
M200 (≠ L197) binding NADP(+)
L224 (≠ M218) binding NADP(+)

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
32% identity, 94% coverage: 2:264/279 of query aligns to 11:273/287 of 1nvtB

query
sites
1nvtB

T

T

D

K

L

V

Y

I

A

G

V

L

V

I

G

G

Y

H

P

P

I

V

A
x
E

H
|
H

S

S

K

F

S

S

P

P

T

I

I

M

H

H

R

N

L

A

F

A

A

F

E

K

Q

D

T

K

G

G

Q

L

D

N

M

Y

T

V

Y

Y

E

V

A

A

I

F

L

-

I

-

D

D

A

V

E

L

E

P

T

E

D

N

F

L

S

K

W

Y

A

V

M

I

A

D

D

G

L

A

K

K

N

A

R

L

G

G

Y

I

K

V

G

G

I

F

N

N

I

V

T

T

V
x
I

P

P

Y

H

K
|
K

L

I

D

E

A

I

F

M

E

K

Y

Y

A

L

D

D

S

E

L

I

S

D

Q

K

R

D

A

A

Q

Q

T

L

A

I

H

G

A

A

V

V

N

N

T

T

F

-

I

I

F

K

N

I

E

E

D

D

G

G

S

K

T

A

L

I

G

G

D

Y

N

N

T

T

D
|
D

G

G

I

I

G

G

L

A

V

R

N

M

D

A

I

L

E

E

N

E

G

I

K

G

R

R

P

V

L

K

A

D

K

K

Q

N

K

I

I

V

L

I

I

Y

L
x
G

G

A

A
x
G

G
|
G

G
x
A

A

A

V

R

Q

A

G

V

I

A

L

F

E

E

P

L

I

A

I

K

D

D

K

N

Q

N

P

-

A

-

I

I

H

I

I

I

A

A

N
|
N

R
|
R

T
|
T

E

V

K

E

R
x
K

A

A

Q

E

I

A

L

L

-

A

-

K

-

E

-

I

G

A

E

E

R

K

F

L

K

N

D

K

N

K

F

F

-

G

-

E

S

E

I

V

S

K

A

F

S

S

G

G

W

L

E

D

N

V

I

D

P

L

E

D

G

G

S

-

Y

V

D

D

I

I

V

I

I

I

N

N

G
x
A

T
|
T

S
x
P

A
x
I

S

G

L
x
M

D

Y

N

P

K

N

L

I

-

D

-

V

-

E

P

P

P

I

I

V

A

K

E

A

S

E

T

K

I

L

G

R

A

E

N

D

T

M

L

V

V

V

Y

M

D

D

M
x
L

M

I

Y
|
Y

G

N

Q

P

K

L

P

E

T

T

V

V

F

L

M

L

E

K

W

E

A

A

K

K

Q

K

I

V

Q

-

P

-

Q

N

C

A

Q

K

T

T

M

I

D

N

G

G

L

L

G

G

M
|
M

L
|
L

V

I

G

Y

Q

Q

A

G

A

A

E

V

A

A

F

F

Y

K

L

I

W

W

R

T

G

G

V

V

R

E

P

P

Q

N

active site: K75 (= K68), D111 (= D105)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I72 (≠ V65), G135 (≠ L129), G137 (≠ A131), G138 (= G132), A139 (≠ G133), N157 (= N154), R158 (= R155), T159 (= T156), K162 (≠ R159), A200 (≠ G192), T201 (= T193), P202 (≠ S194), I203 (≠ A195), M205 (≠ L197), L229 (≠ M218), Y231 (= Y220), M255 (= M246), L256 (= L247)
binding zinc ion: E22 (≠ A13), H23 (= H14)

1nvtA Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
32% identity, 94% coverage: 2:264/279 of query aligns to 11:273/287 of 1nvtA

query
sites
1nvtA

T

T

D

K

L

V

Y

I

A

G

V

L

V

I

G

G

Y

H

P

P

I

V

A

E

H

H

S

S

K

F

S

S

P

P

T

I

I

M

H

H

R

N

L

A

F

A

A

F

E

K

Q

D

T

K

G

G

Q

L

D

N

M

Y

T

V

Y

Y

E

V

A

A

I

F

L

-

I

-

D

D

A

V

E

L

E

P

T

E

D

N

F

L

S

K

W

Y

A

V

M

I

A

D

D

G

L

A

K

K

N

A

R

L

G

G

Y

I

K

V

G

G

I

F

N

N

I

V

T

T

V

I

P

P

Y

H

K
|
K

L

I

D

E

A

I

F

M

E

K

Y

Y

A

L

D

D

S

E

L

I

S

D

Q

K

R

D

A

A

Q

Q

T

L

A

I

H

G

A

A

V

V

N

N

T

T

F

-

I

I

F

K

N

I

E

E

D

D

G

G

S

K

T

A

L

I

G

G

D

Y

N

N

T

T

D
|
D

G

G

I

I

G

G

L

A

V

R

N

M

D

A

I

L

E

E

N

E

G

I

K

G

R

R

P

V

L

K

A

D

K

K

Q

N

K

I

I

V

L

I

I

Y

L
x
G

G

A

A

G

G

G

G
x
A

A

A

V

R

Q

A

G

V

I

A

L

F

E

E

P

L

I

A

I

K

D

D

K

N

Q

N

P

-

A

-

I

I

H

I

I

I

A

A

N
|
N

R
|
R

T
|
T

E

V

K

E

R
x
K

A

A

Q

E

I

A

L

L

-

A

-

K

-

E

-

I

G

A

E

E

R

K

F

L

K

N

D

K

N

K

F

F

-

G

-

E

S

E

I

V

S

K

A

F

S

S

G

G

W

L

E

D

N

V

I

D

P

L

E

D

G

G

S

-

Y

V

D

D

I

I

V

I

I

I

N

N

G
x
A

T
|
T

S
x
P

A
x
I

S

G

L
x
M

D

Y

N

P

K

N

L

I

-

D

-

V

-

E

P

P

P

I

I

V

A

K

E

A

S

E

T

K

I

L

G

R

A

E

N

D

T

M

L

V

V

V

Y

M

D

D

M
x
L

M

I

Y
|
Y

G

N

Q

P

K

L

P

E

T

T

V

V

F

L

M

L

E

K

W

E

A

A

K

K

Q

K

I

V

Q

-

P

-

Q

N

C

A

Q

K

T

T

M

I

D

N

G
|
G

L

L

G

G

M
|
M

L
|
L

V

I

G

Y

Q

Q

A

G

A

A

E

V

A

A

F

F

Y

K

L

I

W

W

R

T

G

G

V

V

R

E

P

P

Q

N

active site: K75 (= K68), D111 (= D105)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G135 (≠ L129), A139 (≠ G133), N157 (= N154), R158 (= R155), T159 (= T156), K162 (≠ R159), A200 (≠ G192), T201 (= T193), P202 (≠ S194), I203 (≠ A195), M205 (≠ L197), L229 (≠ M218), Y231 (= Y220), G252 (= G243), M255 (= M246), L256 (= L247)

P56119 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori)
30% identity, 97% coverage: 5:276/279 of query aligns to 6:263/263 of P56119

query
sites
P56119

Y

F

A

G

V

V

V

F

G

G

Y

N

P

P

I

I

A

K

H

H

S
|
S

K
|
K

S
|
S

P

P

T

L

I

I

H

H

R

N

-

A

-

C

-

F

-

L

L

T

F

F

A

Q

E

K

Q

E

T

L

G

R

Q

F

D

L

M

G