SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing AO356_11315 FitnessBrowser__pseudo5_N2C3_1:AO356_11315 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)
57% identity, 99% coverage: 1:271/273 of query aligns to 5:274/278 of Q9KVT3

query
sites
Q9KVT3

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x
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L

SKS 18:20 (= SKS 14:16) binding shikimate
N90 (= N85) binding shikimate
D106 (= D101) binding shikimate
NRTFAK 154:159 (≠ NRTVEK 150:155) binding NADP(+)
Q248 (= Q245) 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
57% identity, 99% coverage: 1:271/273 of query aligns to 1:270/272 of 3pgjA

query
sites
3pgjA

M

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Y

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G

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N

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H

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S
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S

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K

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S

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L

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F

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A

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T

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L

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S14), S16 (= S16), N59 (= N58), T61 (= T60), K65 (= K64), N86 (= N85), D102 (= D101), Q244 (= Q245)

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
56% identity, 99% coverage: 1:271/273 of query aligns to 1:266/268 of 3sefA

query
sites
3sefA

M

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x
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binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G124 (= G128), A126 (= A130), N146 (= N150), R147 (= R151), T148 (= T152), S183 (≠ A187), T184 (= T188), S185 (= S189), A186 (= A190), M210 (= M215)

1nytA Shikimate dehydrogenase aroe complexed with NADP+ (see paper)
55% identity, 100% coverage: 1:272/273 of query aligns to 1:271/271 of 1nytA

query
sites
1nytA

M

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N

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T

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S

K
x
R

A

A

E

E

G

E

L

L

A

A

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F

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E

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S

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x
S

S

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S

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A

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C

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Y

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M
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M

M

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M

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G

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L

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Q

A

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A

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Q

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Q

E

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L

A

S

binding nadp nicotinamide-adenine-dinucleotide phosphate: K65 (= K64), D102 (= D101), G128 (= G128), G129 (= G129), A130 (= A130), N149 (= N150), R150 (= R151), T151 (= T152), R154 (≠ K155), T188 (= T188), S189 (= S189), S190 (≠ A190), M213 (= M214), G237 (= G238), M240 (= M241), L241 (= L242)

P15770 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Escherichia coli (strain K12) (see paper)
55% identity, 100% coverage: 1:272/273 of query aligns to 1:271/272 of P15770

query
sites
P15770

M

M

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Y

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Y

Y

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L

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A

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P

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N

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F

F

A

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C

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L

R

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A

A

F

F

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E

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G

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K

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G

A

A

N

N

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P

F

F

K

K

E

E

D

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A

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A

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L

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T

E

E

R

R

A

A

Q

A

R

L

A

A

G

G

A

A

V

V

N

N

T

T

L

L

S

M

K

R

L

L

A

E

D

D

G

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R

L

L

G

G

D

D

N

N

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D

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G
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G

A
|
A

G
|
G

A
|
A

V

S

R

R

G

G

A

V

L

L

E

L

P

P

L

L

A

S

E

-

A

L

P

D

A

C

S

A

V

V

I

T

I

I

A

T

N
|
N

R
|
R

T
|
T

V
|
V

E
x
S

K
x
R

A

A

E

E

G

E

L

L

A

A

K

K

S

L

F

F

A

A

D

H

L

T

G

G

P

S

V

I

S

Q

A

A

S

L

G

S

F

M

D

D

W

E

L

L

Q

E

-

G

E

H

P

E

V

F

D

D

L

L

I

I

N

N

A

A

T

T

S

S

A

S

S

G

L

I

S

S

G

G

D

D

V

I

P

P

P

A

I

I

A

P

A

S

S

S

L

L

I

I

E

H

P

P

G

G

K

-

T

I

V

Y

C

C

Y

Y

D

D

M
|
M

M

F

Y

Y

G

Q

K

K

E

G

P

K

T

T

S

P

F

F

C

L

R

A

W

W

A

C

S

E

E

Q

H

R

G

G

A

S

A

K

V

R

A

N

M

A

D

D

G
|
G

L

L

G

G

M

M

L

L

A

V

E

A

Q

Q

A

A

G

A

E

H

A

A

F

F

Y

L

L

L

W

W

R

H

G

G

V

V

R

L

P

P

D

D

T

V

A

E

P

P

V

V

L

I

A

K

E

Q

L

L

R

Q

R

E

Q

E

L

L

A

S

GAGGA 126:130 (= GAGGA 126:130) binding NADP(+)
NRTVSR 149:154 (≠ NRTVEK 150:155) binding NADP(+)
M213 (= M214) binding NADP(+)
G237 (= G238) binding NADP(+)

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
52% identity, 99% coverage: 1:271/273 of query aligns to 1:243/244 of 3sefC

query
sites
3sefC

M

I

D

D

R

Q

Y

Y

V

A

V

V

M

F

G

G

N

N

P

P

I

I

G

N

H

H

S
|
S

K

K

S
|
S

P

P

L

F

I

I

H

H

R

T

L

L

F

F

A

A

E

R

Q

Q

T

T

G

Q

Q

Q

V

S

L

M

D

I

Y

Y

T

T

T

A

L

Q

L

C

A

V

P

P

L

V

E

D

D

G

F

F

A

T

G

E

C

A

A

A

R

K

A

H

F

F

R

A

E

Q

G

G

-

G

R

R

G

G

A

C

N

N

V

V

T

T

V

V

P

P

F

F

K
|
K

E

E

D

E

A

A

F

Y

R

R

L

F

A

A

D

D

T

R

L

L

T

T

E

E

R

R

A

A

Q

R

R

L

A

A

G

G

A

A

V

V

N

N

T

T

L

L

S

K

K

K

L

-

A

D

D

D

G

G

R

E

L

I

L

L

G

G

D

D

N

N

T

T

D
|
D

G

G

A

E

G

G

L

L

V

V

R

Q

D

D

L

L

T

L

V

A

N

Q

A

Q

G

V

F

L

S

-

L

L

Q

K

G

G

K

A

R

T

I

I

L

L

L

I

G

G

A

A

G

G

A

A

V

A

R

R

G

G

A

V

L

L

E

K

P

P

L

L

A

D

E

Q

A

Q

P

P

A

A

S

S

V

I

I

T

I

V

A

T

N

N

R

R

T

T

V

F

E

A

K

K

A

A

E

E

G

Q

L

L

A

A

K

E

S

L

F

V

A

A

D

A

L

Y

G

G

P

E

V

V

S

K

A

A

S

Q

G

A

F

F

D

E

W

Q

L

L

Q

K

E

Q

P

S

V

Y

D

D

L

V

I

I

N

N

A

S

T

T

S

S

A

A

S

-

L

-

S

-

G

-

D

-

V

I

P

D

P

P

I

V

A

-

S

-

L

-

I

I

E

F

P

S

G

S

K

R

T

S

V

V

C

C

Y

Y

D

D

M

M

Y

Y

G

G

K

-

E

-

P

-

T

-

S

-

F

-

C

-

R

-

W

-

A

-

S

-

E

-

H

-

G

-

A

-

V

-

A

-

M

I

D

D

G

G

L

L

G

G

M

M

L

L

A

V

E

G

Q
|
Q

A

A

G

A

E

E

A

S

F

F

Y

M

L

L

W

W

R

R

G

G

V

L

R

R

P

P

D

G

T

T

A

K

P

Q

V

I

L

L

A

R

E

E

L

L

R

R

R

K

Q

N

L

L

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S14), S16 (= S16), K65 (= K64), D101 (= D101), Q217 (= Q245)

P43876 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) (see paper)
45% identity, 99% coverage: 1:271/273 of query aligns to 1:271/272 of P43876

query
sites
P43876

M

M

D

D

R

L

Y

Y

V

A

V

V

M

W

G

G

N

N

P

P

I

I

G

A

H

Q

S

S

K

K

S

S

P

P

L

L

I

I

H

Q

R

N

L

K

F

L

A

A

E

A

Q

Q

T

T

G

H

Q

Q

V

T

L

M

D

E

Y

Y

T

I

T

A

L

K

L

L

A

G

P

D

L

L

E

D

D

A

F

F

A

E

G

Q

C

Q

A

L

R

L

A

A

F

F

R

E

E

E

G

G

-

A

R

K

G

G

A

C

N

N

V

I

T

T

V

S

P

P

F

F

K

K

E

E

D

R

A

A

F

Y

R

Q

L

L

A

A

D

D

T

E

L

Y

T

S

E

Q

R

R

A

A

Q

K

R

L

A

A

G

E

A

A

V

C

N

N

T

T

L

L

S

K

K

K

L

L

A

D

D

D

G

G

R

K

L

L

L

Y

G

A

D

D

N

N

T

T

D

D

G

G

A

I

G

G

L

L

V

V

R

T

D

D

L

L

T

Q

V

-

N

R

A

L

G

N

F

W

S

L

L

R

Q

P

G

N

K

Q

R

H

I

V

L

L

L

I

L

L

G
|
G

A
|
A

G
|
G

A
|
A

V

T

R

K

G

G

A

V

L

L

E

L

P

P

L

L

A

-

E

Q

A

A

P

Q

A

Q

S

N

V

I

I

V

I

L

A

A

N
|
N

R
|
R

T
|
T

V
x
F

E
x
S

K
|
K

A

T

E

K

G

E

L

L

A

A

K

E

S

R

F

F

A

Q

D

P

L

Y

G

G

P

N

V

I

S

Q

A

A

S

V

G

S

F

M

D

D

W

S

L

I

Q

P

-

L

E

Q

P

T

V

Y

D

D

L

L

I

V

I

I

N

N

A

A

T

T

S
|
S

A

A

S

G

L

L

S

S

G

G

D

G

V

T

P

A

P

S

I

V

A

D

A

A

S

E

L

I

I

L

E

K

P

L

G

G

K

-

T

S

V

A

C

F

Y

Y

D

D

M

M

M

Q

Y

Y

G

A

K

K

-

G

E

T

P

D

T

T

S

P

F

F

C

I

R

A

W

L

A

C

S

K

E

S

H

L

G

G

A

L

A

T

V

N

A

V

M

S

D

D

G

G

L

F

G

G

M

M

L

L

A

V

E

A

Q

Q

A

A

G

A

E

H

A

S

F

F

Y

H

L

L

W

W

R

R

G

G

V

V

R

M

P

P

D

D

T

F

A

V

P

S

V

V

L

Y

A

E

E

Q

L

L

R

K

Q

A

L

M

GAGGA 126:130 (= GAGGA 126:130) binding NADP(+)
NRTFSK 149:154 (≠ NRTVEK 150:155) binding NADP(+)
S189 (= S189) binding NADP(+)

1p77A Crystal structure of shikimate dehydrogenase (aroe) from haemophilus influenzae (see paper)
43% identity, 99% coverage: 1:269/273 of query aligns to 1:262/265 of 1p77A

query
sites
1p77A

M

M

D

D

R

L

Y

Y

V

A

V

V

M

W

G

G

N

N

P

P

I

I

G

A

H

Q

S

S

K

K

S

S

P

P

L

L

I

I

H

Q

R

N

L

K

F

L

A

A

E

A

Q

Q

T

T

G

H

Q

Q

V

T

L

M

D

E

Y

Y

T

I

T

A

L

K

L

L

A

G

P

D

L

L

E

D

D

A

F

F

A

E

G

Q

C

Q

A

L

R

L

A

A

F

F

R

E

E

E

G

G

-

A

R

K

G

G

A

C

N

N

V

I

T

T

V

S

P

P

F

F

K

K

E

E

D

R

A

A

F

Y

R

Q

L

L

A

A

D

D

T

E

L

Y

T

S

E

Q

R

R

A

A

Q

K

R

L

A

A

G

E

A

A

V

C

N

N

T

T

L

L

S

K

K

K

L

L

A

D

D

D

G

G

R

K

L

L

L

Y

G

A

D

D

N

N

T

T

D

D

G

G

A

I

G

G

L

L

V

V

R

T

D

D

L

L

T

Q

V

-

N

R

A

L

G

N

F

W

S

L

L

R

Q

P

G

N

K

Q

R

H

I

V

L

L

L

I

L

L

G
|
G

A

A

G
|
G

A
|
A

V

T

R

K

G

G

A

V

L

L

E

L

P

P

L

L

A

-

E

Q

A

A

P

Q

A

Q

S

N

V

I

I

V

I

L

A

A

N
|
N

R
|
R

T
|
T

V

F

E

S

K
|
K

A

T

E

K

G

E

L

L

A

A

K

E

S

R

F

F

A

Q

D

P

L

Y

G

G

P

N

V

I

S

Q

A

A

S

V

G

S

F

M

D

D

W

S

L

I

Q

P

-

L

E

Q

P

T

V

Y

D

D

L

L

I

V

I

I

N

N

A

A

T
|
T

S
|
S

A
|
A

S

S

L

V

S

D

G

A

D

E

V

I

P

L

P

K

I

L

A

G

A

S

S

A

L

F

I

-

E

-

P

-

G

-

K

-

T

-

V

-

C

-

Y

Y

D

D

M

M

M

Q

Y

Y

G

A

K

K

-

G

E

T

P

D

T

T

S

P

F

F

C

I

R

A

W

L

A

C

S

K

E

S

H

L

G

G

A

L

A

T

V

N

A

V

M

S

D

D

G

G

L

F

G

G

M

M

L

L

A

V

E

A

Q

Q

A

A

G

A

E

H

A

S

F

F

Y

H

L

L

W

W

R

R

G

G

V

V

R

M

P

P

D

D

T

F

A

V

P

S

V

V

L

Y

A

E

E

Q

L

L

R

K

binding 2'-monophosphoadenosine-5'-diphosphate: G126 (= G126), G128 (= G128), G129 (= G129), A130 (= A130), N149 (= N150), R150 (= R151), T151 (= T152), K154 (= K155), T188 (= T188), S189 (= S189), A190 (= A190)

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
30% identity, 94% coverage: 3:259/273 of query aligns to 2:253/269 of Q5HNV1

query
sites
Q5HNV1

R

K

Y

F

V

A

V

V

M

I

G

G

N

N

P

P

I

I

G

S

H

H

S
|
S

K
x
L

S
|
S

P

P

L

L

I

M

H

H

R

H

L

A

F

N

A

F

E

Q

Q

S

T

L

G

N

Q

L

V

E

L

N

D

T

Y

Y

T

E

T

A

L

I

L

N

A

V

P

P

L

V

E

N

D

Q

F

F

A

Q

G

D

C

I

A

K

R

K

A

I

F

I

F

S

R

E

E

K

G

S

-

I

R

D

G

G

A

F

N

N

V

V

T
|
T

V

I

P

P

F

H

K

K

E

E

D

R

A

I

F

I

R

P

L

Y

A

L

D

D

T

D

L

I

T

N

E

E

R

Q

A

A

Q

K

R

S

A

V

G

G

A

A

V

V

N
|
N

T

T

L

V

S

L

K

-

L

V

A

K

D

D

G

G

R

K

L

W

L

I

G

G

D

Y

N

N

T

T

D
|
D

G

G

A

I

G

G

L

Y

V

V

R

N

D

G

L

L

T

K

-

Q

V

I

N

Y

A

E

G

G

F

-

S

-

L

I

Q

E

G

D

K

A

R

Y

I

I

L

L

L

I

L

L

G

G

A

A

G

G

A

A

V

S

R

K

G

G

A

I

L

A

E

N

P

E

L

L

L

Y

A

K

E

I

A

V

P

R

A

P

S

T

V

L

I

T

I

V

A

A

N

N

R

R

T

T

V

M

E

S

K

R

A

F

E

N

G

N

L

W

A

S

K

-

S

-

F

-

A

L

D

N

L

I

G

N

P

K

V

I

S

N

A

L

S

S

G

H

F

A

D

E

W

S

L

H

Q

L

E

D

P

E

V

F

D

D

L

I

I

I

N

N

A

T

T

T

S

P

A

A

S

G

L

M

S

N

G

G

D

N

V

T

P

D

P

S

I

V

A

I

A

S

S

L

L

N

I

R

E

L

P

A

G

S

K

H

T

T

V

L

C

V

Y

S

D

D

M

I

M

V

Y
|
Y

G

N

K

P

E

Y

P

K

T

T

S

P

F

I

C

L

R

I

W

E

A

A

S

E

E

Q

H

R

G

G

A

N

A

P

V

I

A

-

M

Y

D

N

G

G

L

L

G

D

M

M

L

F

A

V

E

H

Q
|
Q

A

G

G

A

E

E

A

S

F

F

Y

K

L

I

W

W

R

T

G

N

V

L

R

E

P

P

D

D

SLS 13:15 (≠ SKS 14:16) binding shikimate
T60 (= T60) binding shikimate
N85 (= N85) binding shikimate
D100 (= D101) binding shikimate
Y211 (= Y216) 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 (= Q245) binding shikimate

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
35% identity, 92% coverage: 4:255/273 of query aligns to 9:252/267 of 2hk9B

query
sites
2hk9B

Y

Y

V

G

V

V

M

I

G

G

N

F

P

P

I

V

G

K

H

H

S
|
S

K

L

S
|
S

P

P

L

V

I

F

H

Q

R

N

L

A

F

L

A

I

E

R

Q

Y

T

A

G

G

Q

L

V

N

L

A

D

V

Y

Y

T

L

T

A

L

F

L

E

A

I

P

N

L

P

E

E

D

E

F

L

A

K

G

K

C

A

A

F

R

E

A

G

F

F

F

K

R

A

-

L

E

K

G

V

R

K

G

G

A

I

N
|
N

V

V

T
|
T

V
|
V

P

P

F

F

K
|
K

E

E

D

E

A

I

F

I

R

P

L

L

A

L

D

D

T

Y

L

V

T

E

E

D

R

T

A

A

Q

K

R

E

A

I

G

G

A

A

V

V

N
|
N

T

T

L

V

S

-

K

K

L

F

A

E

D

N

G

G

R

K

L

A

L

Y

G

G

D

Y

N

N

T

T

D
|
D

G

W

A

I

G

G

L

F

V

L

R

K

D

S

L

L

T

K

V

-

N

S

A

L

G

I

F

P

S

E

L

V

Q

K

G

E

K

K

R

S

I

I

L

L

L

V

L

L

G
|
G

A

A

G

G

G
|
G

A
|
A

V

S

R

R

G

A

A

V

L

I

E

Y

P

A

L

L

L

V

A

K

E

E

A

G

P

-

A

A

S

K

V

V

I

F

I

L

A

W

N
|
N

R
|
R

T
|
T

V

K

E

E

K
|
K

A

A

E

I

G

K

L

L

A

A

K

Q

S

K

F

F

A

P

D

-

L

L

G

E

P

V

V

V

S

N

A

S

S

P

G

-

F

-

D

E

W

E

L

V

Q

I

E

D

P

K

V

V

D

Q

L

V

I

I

I

V

N

N

A

T

T
|
T

S
|
S

A
x
V

S

G

L

L

S

K

G

D

D

E

V

D

P

P

P

E

I

I

A

F

A

N

S

Y

L

D

I

L

E

I

P

K

G

K

K

D

T

H

V

V

C

V

Y

V

D

D

M
x
I

M

I

Y
|
Y

G

-

K

-

E

K

P

E

T

T

S

K

F

L

C

L

R

K

W

K

A

A

S

K

E

E

H

K

G

G

A

A

A

K

V

L

A

-

M

L

D

D

G

G

L

L

G

P

M
|
M

L
|
L

A

L

E

W

Q
|
Q

A

G

G

I

E

E

A

A

F

F

Y

K

L

I

W

W

R

N

G

G

binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (= V61), G130 (= G126), G133 (= G129), A134 (= A130), N153 (= N150), R154 (= R151), T155 (= T152), K158 (= K155), T188 (= T188), S189 (= S189), V190 (≠ A190), I214 (≠ M214), M238 (= M241), L239 (= L242)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S14), S21 (= S16), N64 (= N58), T66 (= T60), K70 (= K64), N91 (= N85), D106 (= D101), Y216 (= Y216), L239 (= L242), Q242 (= Q245)

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
35% identity, 92% coverage: 4:255/273 of query aligns to 9:252/269 of 2hk9A

query
sites
2hk9A

Y

Y

V

G

V

V

M

I

G

G

N

F

P

P

I

V

G

K

H

H

S
|
S

K

L

S
|
S

P

P

L

V

I

F

H

Q

R

N

L

A

F

L

A

I

E

R

Q

Y

T

A

G

G

Q

L

V

N

L

A

D

V

Y

Y

T

L

T

A

L

F

L

E

A

I

P

N

L

P

E

E

D

E

F

L

A

K

G

K

C

A

A

F

R

E

A

G

F

F

F

K

R

A

-

L

E

K

G

V

R

K

G

G

A

I

N
|
N

V

V

T

T

V
|
V

P

P

F

F

K
|
K

E

E

D

E

A

I

F

I

R

P

L

L

A

L

D

D

T

Y

L

V

T

E

E

D

R

T

A

A

Q

K

R

E

A

I

G

G

A

A

V

V

N
|
N

T

T

L

V

S

-

K

K

L

F

A

E

D

N

G

G

R

K

L

A

L

Y

G

G

D

Y

N

N

T

T

D
|
D

G

W

A

I

G

G

L

F

V

L

R

K

D

S

L

L

T

K

V

-

N

S

A

L

G

I

F

P

S

E

L

V

Q

K

G

E

K

K

R

S

I

I

L

L

L

V

L

L

G

G

A

A

G
|
G

A
|
A

V

S

R

R

G

A

A

V

L

I

E

Y

P

A

L

L

L

V

A

K

E

E

A

G

P

-

A

A

S

K

V

V

I

F

I

L

A

W

N
|
N

R
|
R

T
|
T

V

K

E

E

K

K

A

A

E

I

G

K

L

L

A

A

K

Q

S

K

F

F

A

P

D

-

L

L

G

E

P

V

V

V

S

N

A

S

S

P

G

-

F

-

D

E

W

E

L

V

Q

I

E

D

P

K

V

V

D

Q

L

V

I

I

I

V

N

N

A

T

T
|
T

S
|
S

A
x
V

S

G

L

L

S

K

G

D

D

E

V

D

P

P

P

E

I

I

A

F

A

N

S

Y

L

D

I

L

E

I

P

K

G

K

K

D

T

H

V

V

C

V

Y

V

D

D

M

I

Y
|
Y

G

-

K

-

E

K

P

E

T

T

S

K

F

L

C

L

R

K

W

K

A

A

S

K

E

E

H

K

G

G

A

A

A

K

V

L

A

-

M

L

D

D

G

G

L

L

G

P

M

M

L
|
L

A

L

E

W

Q
|
Q

A

G

G

I

E

E

A

A

F

F

Y

K

L

I

W

W

R

N

G

G

binding 2'-monophosphoadenosine-5'-diphosphate: V67 (= V61), G132 (= G128), G133 (= G129), A134 (= A130), N153 (= N150), R154 (= R151), T155 (= T152), T188 (= T188), S189 (= S189), V190 (≠ A190)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S14), S21 (= S16), N64 (= N58), K70 (= K64), N91 (= N85), D106 (= D101), Y216 (= Y216), L239 (= L242), Q242 (= Q245)

2cy0A Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP (see paper)
35% identity, 99% coverage: 1:271/273 of query aligns to 1:261/262 of 2cy0A

query
sites
2cy0A

M

M

D

L

R

R

Y

F

V

A

V

V

M

L

G

G

N

H

P

P

I

V

G

A

H

H

S

S

K

L

S

S

P

P

L

A

I

M

H

H

R

A

L

F

F

A

A

L

E

E

Q

S

T

L

G

G

Q

L

V

E

L

G

D

S

Y

Y

T

E

T

A

L

W

L

D

A

T

P

P

L

L

E

E

D

A

F

L

A

P

G

G

C

R

A

L

R

K

A

E

F

V

F

R

R

R

E

A

G

F

R

R

G

G

A

V

N

N

V

L

T

T

V

L

P

P

F

L

K
|
K

E

E

D

A

A

A

F

L

R

A

L

H

A

L

D

D

T

W

L

V

T

S

E

P

R

E

A

A

Q

Q

R

R

A

I

G

G

A

A

V

V

N

N

T

T

L

V

S

L

K

Q

L

V

A

-

D

E

G

G

R

R

L

L

L

F

G

G

D

F

N

N

T

T

D
|
D

G

A

A

P

G

G

L

F

V

L

R

E

D

A

L

L

T

K

V

A

N

G

A

-

G

G

F

I

S

P

L

L

Q

K

G

G

K

P

R

A

I

L

L

V

L

L

L
x
G

G

A

A

G

G
|
G

G
x
A

A

G

V

R

R

A

G

V

A

A

L

F

E

A

P

-

L

-

L

L

A

R

E

E

A

A

P

G

A

L

S

E

V

V

I

W

I

V

A

W

N
|
N

R
|
R

T
|
T

V

P

E

Q

K
x
R

A

A

E

L

G

A

L

L

A

A

K

E

S

E

F

F

A

G

D

-

L

-

G

-

P

-

V

L

S

R

A

A

S

V

G

P

F

L

D

E

W

K

L

A

Q

R

E

E

P

-

V

A

D

R

L

L

I

L

I

V

N

N

A

A

T
|
T

S
x
R

A
x
V

S

G

L

L

S

E

G

D

-

P

D

S

V

A

P

S

P

P

I

L

A

P

A

A

S

E

L

L

I

F

E

-

P

P

G

E

K

E

T

G

V

A

C

A

Y

V

D

D

M
x
L

M

V

Y

Y

G

R

K

P

E

L

P

W

T

T

S

R

F

F

C

L

R

R

W

E

A

A

S

K

E

A

H

K

G

G

A

L

A

K

V

V

A

-

M

Q

D

T

G

G

L

L

G

P

M

M

L
|
L

A

A

E

W

Q

Q

A

G

G

A

E

L

A

A

F

F

Y

R

L

L

W

W

R

T

G

G

V

L

R

L

P

P

D

D

T

P

A

S

P

G

V

M

L

E

A

E

E

A

L

A

R

R

Q

A

L

L

active site: K64 (= K64), D100 (= D101)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G123 (≠ L125), G126 (= G128), A127 (≠ G129), N146 (= N150), R147 (= R151), T148 (= T152), R151 (≠ K155), T179 (= T188), R180 (≠ S189), V181 (≠ A190), L205 (≠ M214), L232 (= L242)

2ev9B Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP(h) and shikimate (see paper)
35% identity, 99% coverage: 1:271/273 of query aligns to 1:261/263 of 2ev9B

query
sites
2ev9B

M

M

D

L

R

R

Y

F

V

A

V

V

M

L

G

G

N

H

P

P

I

V

G

A

H

H

S
|
S

K

L

S
|
S

P

P

L

A

I

M

H

H

R

A

L

F

F

A

A

L

E

E

Q

S

T

L

G

G

Q

L

V

E

L

G

D

S

Y

Y

T

E

T

A

L

W

L

D

A

T

P

P

L

L

E

E

D

A

F

L

A

P

G

G

C

R

A

L

R

K

A

E

F

V

F

R

R

R

E

A

G

F

R

R

G

G

A

V

N
|
N

V

L

T
|
T

V

L

P

P

F

L

K
|
K

E

E

D

A

A

A

F

L

R

A

L

H

A

L

D

D

T

W

L

V

T

S

E

P

R

E

A

A

Q

Q

R

R

A

I

G

G

A

A

V

V

N
|
N

T

T

L

V

S

L

K

Q

L

V

A

-

D

E

G

G

R

R

L

L

L

F

G

G

D

F

N

N

T

T

D
|
D

G

A

A

P

G

G

L

F

V

L

R

E

D

A

L

L

T

K

V

A

N

G

A

-

G

G

F

I

S

P

L

L

Q

K

G

G

K

P

R

A

I

L

L

V

L

L

L

G

G

A

A

G

G

G

G

A

A

G

V

R

R

A

G

V

A

A

L

F

E

A

P

-

L

-

L

L

A

R

E

E

A

A

P

G

A

L

S

E

V

V

I

W

I

V

A

W

N

N

R

R

T

T

V

P

E

Q

K

R

A

A

E

L

G

A

L

L

A

A

K

E

S

E

F

F

A

G

D

-

L

-

G

-

P

-

V

L

S

R

A

A

S

V

G

P

F

L

D

E

W

K

L

A

Q

R

E

E

P

-

V

A

D

R

L

L

I

L

I

V

N

N

A

A

T

T

S

R

A

V

S

G

L

L

S

E

G

D

-

P

D

S

V

A

P

S

P

P

I

L

A

P

A

A

S

E

L

L

I

F

E

-

P

P

G

E

K

E

T

G

V

A

C

A

Y

V

D

D

M

L

M

V

Y

Y

G

R

K

P

E

L

P

W

T

T

S

R

F

F

C

L

R

R

W

E

A

A

S

K

E

A

H

K

G

G

A

L

A

K

V

V

A

-

M

Q

D

T

G

G

L

L

G

P

M

M

L

L

A

A

E

W

Q
|
Q

A

G

G

A

E

L

A

A

F

F

Y

R

L

L

W

W

R

T

G

G

V

L

R

L

P

P

D

D

T

P

A

S

P

G

V

M

L

E

A

E

E

A

L

A

R

R

Q

A

L

L

active site: K64 (= K64), D100 (= D101)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S14), S16 (= S16), N58 (= N58), T60 (= T60), K64 (= K64), N85 (= N85), D100 (= D101), Q235 (= Q245)

Q5SJF8 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8) (see paper)
35% identity, 99% coverage: 1:271/273 of query aligns to 1:261/263 of Q5SJF8

query
sites
Q5SJF8

M

M

D

L

R

R

Y

F

V

A

V

V

M

L

G

G

N

H

P

P

I

V

G

A

H

H

S
|
S

K
x
L

S
|
S

P

P

L

A

I

M

H

H

R

A

L

F

F

A

A

L

E

E

Q

S

T

L

G

G

Q

L

V

E

L

G

D

S

Y

Y

T

E

T

A

L

W

L

D

A

T

P

P

L

L

E

E

D

A

F

L

A

P

G

G

C

R

A

L

R

K

A

E

F

V

F

R

R

R

E

A

G

F

R

R

G

G

A

V

N

N

V

L

T
|
T

V

L

P

P

F

L

K
|
K

E

E

D

A

A

A

F

L

R

A

L

H

A

L

D

D

T

W

L

V

T

S

E

P

R

E

A

A

Q

Q

R

R

A

I

G

G

A

A

V

V

N
|
N

T

T

L

V

S

L

K

Q

L

V

A

-

D

E

G

G

R

R

L

L

L

F

G

G

D

F

N

N

T

T

D
|
D

G

A

A

P

G

G

L

F

V

L

R

E

D

A

L

L

T

K

V

A

N

G

A

-

G

G

F

I

S

P

L

L

Q

K

G

G

K

P

R

A

I

L

L

V

L

L

L
x
G

G
x
A

A
x
G

G
|
G

G
x
A

A

G

V

R

R

A

G

V

A

A

L

F

E

A

P

-

L

-

L

L

A

R

E

E

A

A

P

G

A

L

S

E

V

V

I

W

I

V

A

W

N
|
N

R
|
R

T
|
T

V
x
P

E
x
Q

K
x
R

A

A

E

L

G

A

L

L

A

A

K

E

S

E

F

F

A

G

D

-

L

-

G

-

P

-

V

L

S

R

A

A

S

V

G

P

F

L

D

E

W

K

L

A

Q

R

E

E

P

-

V

A

D

R

L

L

I

L

I

V

N

N

A

A

T

T

S

R

A

V

S

G

L

L

S

E

G

D

-

P

D

S

V

A

P

S

P

P

I

L

A

P

A

A

S

E

L

L

I

F

E

-

P

P

G

E

K

E

T

G

V

A

C

A

Y

V

D

D

M
x
L

M

V

Y
|
Y

G

R

K

P

E

L

P

W

T

T

S

R

F

F

C

L

R

R

W

E

A

A

S

K

E

A

H

K

G

G

A

L

A

K

V

V

A

-

M

Q

D

T

G
|
G

L

L

G

P

M

M

L

L

A

A

E

W

Q
|
Q

A

G

G

A

E

L

A

A

F

F

Y

R

L

L

W

W

R

T

G

G

V

L

R

L

P

P

D

D

T

P

A

S

P

G

V

M

L

E

A

E

E

A

L

A

R

R

Q

A

L

L

SLS 14:16 (≠ SKS 14:16) binding shikimate
T60 (= T60) binding shikimate
K64 (= K64) active site, Proton acceptor
N85 (= N85) binding shikimate
D100 (= D101) binding shikimate
GAGGA 123:127 (≠ LGAGG 125:129) binding NADP(+)
NRTPQR 146:151 (≠ NRTVEK 150:155) binding NADP(+)
L205 (≠ M214) binding NADP(+)
Y207 (= Y216) binding shikimate
G228 (= G238) binding NADP(+)
Q235 (= Q245) binding shikimate

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
35% identity, 92% coverage: 4:255/273 of query aligns to 9:252/269 of O67049

query
sites
O67049

Y

Y

V

G

V

V

M

I

G

G

N

F

P

P

I

V

G

K

H

H

S
|
S

K
x
L

S
|
S

P

P

L

V

I

F

H

Q

R

N

L

A

F

L

A

I

E

R

Q

Y

T

A

G

G

Q

L

V

N

L

A

D

V

Y

Y

T

L

T

A

L

F

L

E

A

I

P

N

L

P

E

E

D

E

F

L

A

K

G

K

C

A

A

F

R

E

A

G

F

F

F

K

R

A

-

L

E

K

G

V

R

K

G

G

A

I

N

N

V

V

T

T

V

V

P

P

F

F

K

K

E

E

D

E

A

I

F

I

R

P

L

L

A

L

D

D

T

Y

L

V

T

E

E
x
D

R

T

A

A

Q

K

R

E

A

I

G

G

A

A

V

V

N
|
N

T

T

L

V

S

-

K

K

L

F

A

E

D

N

G

G

R

K

L

A

L

Y

G

G

D

Y

N

N

T

T

D
|
D

G

W

A

I

G

G

L

F

V

L

R

K

D

S

L

L

T

K

V

-

N

S

A

L

G

I

F

P

S

E

L

V

Q

K

G

E

K

K

R

S

I

I

L

L

L

V

L

L

G
|
G

A
|
A

G
|
G

A
|
A

V

S

R

R

G

A

A

V

L

I

E

Y

P

A

L

L

L

V

A

K

E

E

A

G

P

-

A

A

S

K

V

V

I

F

I

L

A

W

N

N

R

R

T

T

V

K

E

E

K

K

A

A

E

I

G

K

L

L

A

A

K

Q

S

K

F

F

A

P

D

-

L

L

G

E

P

V

V

V

S

N

A

S

S

P

G

-

F

-

D

E

W

E

L

V

Q

I

E

D

P

K

V

V

D

Q

L

V

I

I

I

V

N

N

A

T

T

T

S

S

A

V

S

G

L

L

S

K

G

D

D

K

V

D

P

P

P

E

I

I

A

F

A

N

S

Y

L

D

I

L

E

I

P

K

G

K

K

D

T

H

V

V

C

V

Y

V

D

D

M
x
I

M

I

Y
|
Y

G

-

K

-

E

K

P

E

T

T

S

K

F

L

C

L

R

K

W

K

A

A

S

K

E

E

H

K

G

G

A

A

A

K

V

L

A

-

M

F

D

D

G
|
G

L

L

G

P

M

M

L

L

A

L

E

W

Q
|
Q

A

G

G

I

E

E

A

A

F

F

Y

K

L

I

W

W

R

N

G

G

SLS 19:21 (≠ SKS 14:16) binding shikimate
D82 (≠ E76) binding NADP(+)
N91 (= N85) binding shikimate
D106 (= D101) binding shikimate
GAGGA 130:134 (= GAGGA 126:130) binding NADP(+)
I214 (≠ M214) binding NADP(+)
Y216 (= Y216) binding shikimate
G235 (= G238) binding NADP(+)
Q242 (= Q245) binding shikimate

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
30% identity, 94% coverage: 3:259/273 of query aligns to 2:244/258 of 3dooA

query
sites
3dooA

R

K

Y

F

V

A

V

V

M

I

G

G

N

N

P

P

I

I

G

S

H

H

S
|
S

K

L

S
|
S

P

P

L

L

I

M

H

H

R

H

L

A

F

N

A

F

E

Q

Q

S

T

L

G

N

Q

L

V

E

L

N

D

T

Y

Y

T

E

T

A

L

I

L

N

A

V

P

P

L

V

E

N

D

Q

F

F

A

Q

G

D

C

I

A

K

R

K

A

I

F

I

F

S

R

E

E

K

G

S

-

I

R

D

G

G

A

F

N
|
N

V

V

T
|
T

V

I

P

P

F

H

K
|
K

E

E

D

R

A

I

F

I

R

P

L

Y

A

L

D

D

T

D

L

I

T

N

E

E

R

Q

A

A

Q

K

R

S

A

V

G

G

A

A

V

V

N
|
N

T

T

L

V

S

L

K

-

L

V

A

K

D

D

G

G

R

K

L

W

L

I

G

G

D

Y

N

N

T

T

D
|
D

G

G

A

I

G

G

L

Y

V

V

R

N

D

G

L

L

T

K

-

Q

V

I

N

Y

A

E

G

G

F

-

S

-

L

I

Q

E

G

D

K

A

R

Y

I

I

L

L

L

I

L

L

G

G

A

A

G

G

A

A

V

S

R

K

G

G

A

I

L

A

E

N

P

E

L

L

L

Y

A

K

E

I

A

V

P

R

A

P

S

T

V

L

I

T

I

V

A

A

N

N

R

R

T

T

V

M

E

S

K

R

A

F

E

N

G

N

L

W

A

S

K

-

S

-

F

-

A

L

D

N

L

I

G

N

P

K

V

I

S

N

A

L

S

S

G

H

F

A

D

E

W

S

L

H

Q

L

E

D

P

E

V

F

D

D

L

I

I

I

N

N

A

T

T

T

S

-

A

-

S

-

L

-

S

-

G

-

D

-

V

-

P

P

P

V

I

I

A

S

A

L

S

N

L

R

I

L

E

-

P

A

G

S

K

H

T

T

V

L

C

V

Y

S

D

D

M

I

M

V

Y

Y

G

N

K

P

E

Y

P

K

T

T

S

P

F

I

C

L

R

I

W

E

A

A

S

E

E

Q

H

R

G

G

A

N

A

P

V

I

A

-

M

Y

D

N

G

G

L

L

G

D

M

M

L
x
F

A

V

E

H

Q
|
Q

A

G

G

A

E

E

A

S

F

F

Y

K

L

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 (= S14), S15 (= S16), N58 (= N58), T60 (= T60), K64 (= K64), N85 (= N85), D100 (= D101), F227 (≠ L242), Q230 (= Q245)

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)
35% identity, 93% coverage: 6:259/273 of query aligns to 11:268/282 of Q58484

query
sites
Q58484

V

L

M

I

G

G

N

H

P

P

I

V

G

E

H

H

S

S

K

F

S

S

P

P

L

I

I

M

H

H

R

N

L

A

F

A

A

F

E

K

Q

D

T

K

G

G

Q

L

V

N

L

Y

D

V

Y

Y

T

V

T

A

L

F

L

D

A

V

P

L

L

P

E

E

D

N

F

L

A

K

G

Y

C

V

A

I

R

D

A

G

F

A

F

K

R

A

E

L

G

G

-

I

R

V

G

G

A

F

N

N

V

V

T

T

V

I

P

P

F

H

K

K

E

I

D

E

A

I

F

M

R

K

L

Y

A

L

D

D

T

E

L

I

T

D

E

K

R

D

A

A

Q

Q

R

L

A

I

G

G

A

A

V

V

N

N

T

T

L

I

S

-

K

K

L

I

A

E

D

D

G

G

R

K

L

A

L

I

G

G

D

Y

N

N

T

T

D

D

G

G

A

I

G

G

L

A

V

R

R

M

D

A

L

L

T

E

V

E

N

E

A

I

G

G

F

-

S

R

L

V

Q

K

G

D

K

K

R

N

I

I

L

V

L

I

L

Y

G
|
G