SitesBLAST

SLS 13:15 (≠ SRS 22:24) binding shikimate
T60 (= T71) binding shikimate
N85 (= N96) binding shikimate
D100 (= D111) binding shikimate
Y211 (= Y227) 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 (= Q255) binding shikimate

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
36% identity, 88% coverage: 14:265/286 of query aligns to 11:252/267 of 2hk9B

query
sites
2hk9B

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binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (≠ I72), G130 (= G136), G133 (= G139), A134 (= A140), N153 (= N160), R154 (= R161), T155 (= T162), K158 (≠ R165), T188 (= T199), S189 (= S200), V190 (≠ L201), I214 (= I225), M238 (= M251), L239 (= L252)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S22), S21 (= S24), N64 (= N69), T66 (= T71), K70 (= K75), N91 (= N96), D106 (= D111), Y216 (= Y227), L239 (= L252), Q242 (= Q255)

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
36% identity, 88% coverage: 14:265/286 of query aligns to 11:252/269 of 2hk9A

query
sites
2hk9A

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binding 2'-monophosphoadenosine-5'-diphosphate: V67 (≠ I72), G132 (= G138), G133 (= G139), A134 (= A140), N153 (= N160), R154 (= R161), T155 (= T162), T188 (= T199), S189 (= S200), V190 (≠ L201)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S22), S21 (= S24), N64 (= N69), K70 (= K75), N91 (= N96), D106 (= D111), Y216 (= Y227), L239 (= L252), Q242 (= Q255)

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
36% identity, 88% coverage: 14:265/286 of query aligns to 11:252/269 of O67049

query
sites
O67049

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SLS 19:21 (≠ SRS 22:24) binding shikimate
D82 (≠ E87) binding NADP(+)
N91 (= N96) binding shikimate
D106 (= D111) binding shikimate
GAGGA 130:134 (= GAGGA 136:140) binding NADP(+)
I214 (= I225) binding NADP(+)
Y216 (= Y227) binding shikimate
G235 (= G248) binding NADP(+)
Q242 (= Q255) binding shikimate

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
33% identity, 94% coverage: 14:282/286 of query aligns to 5:256/258 of 3dooA

query
sites
3dooA

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L

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S13 (= S22), S15 (= S24), N58 (= N69), T60 (= T71), K64 (= K75), N85 (= N96), D100 (= D111), F227 (≠ L252), Q230 (= Q255)

Q9KVT3 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
37% identity, 94% coverage: 9:277/286 of query aligns to 5:270/278 of Q9KVT3

query
sites
Q9KVT3

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Q

A

Q

S

V

G

-

W

L

D

L

R

K

I

G

S

A

T

T

A

I

V

L

I

L

L

I

G

G

A

A

G

G

A

A

S

A

R

R

A

G

V

V

I

L

Q

K

A

P

V

L

R

L

D

D

R

Q

G

Q

V

P

K

A

T

S

I

I

H

T

V

V

V

T

N
|
N

R
|
R

T
|
T

A
x
F

A
|
A

R
x
K

A

A

Q

E

E

Q

L

L

A

A

D

E

R

L

F

V

G

A

R

-

A

A

V

Y

H

G

A

E

H

V

P

K

I

A

A

Q

A

A

L

F

S

E

E

Q

V

L

M

K

A

Q

G

S

A

Y

G

D

L

V

F

I

V

I

N

N

T

S

T

T

S

S

L

A

G

S

M

L

D

D

G

G

E

E

P

-

A

L

P

P

A

A

I

I

D

D

F

P

S

V

P

I

L

F

A

S

N

S

G

R

A

S

V

V

V

C

T

Y

D

D

I

M

V

M

Y

Y

V

G

P

K

L

G

K

Y

T

T

P

V

L

F

L

N

R

Q

Q

W

A

A

E

R

E

Q

Q

H

G

G

Y

C

-

A

R

Q

I

A

V

I

D

D

G

G

L

L

G

G

M

M

L

L

L

V

H

G

Q
|
Q

A

A

P

E

G

S

F

F

E

M

K

L

W

W

F

R

G

G

L

L

R

R

P

P

V

G

V

T

D

K

E

Q

T

I

L

L

R

R

Q

E

I

L

SKS 18:20 (≠ SRS 22:24) binding shikimate
N90 (= N96) binding shikimate
D106 (= D111) binding shikimate
NRTFAK 154:159 (≠ NRTAAR 160:165) binding NADP(+)
Q248 (= Q255) 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
37% identity, 94% coverage: 9:277/286 of query aligns to 1:266/272 of 3pgjA

query
sites
3pgjA

V

I

N

D

H

Q

A

Y

F

A

V

V

T

F

G

G

Y

N

P

P

I

I

K

N

H

H

S
|
S

R

K

S
|
S

P

P

L

F

I

I

H

H

G

T

Y

L

W

F

L

A

K

R

Q

Q

F

T

G

Q

I

Q

A

S

G

M

S

I

Y

Y

R

T

A

A

H

Q

E

C

V

V

T

P

P

V

E

D

A

G

F

F

P

T

E

E

-

A

-

K

-

H

F

F

M

F

G

A

Q

Q

L

-

R

-

D

-

G

G

T

R

G

G

F

-

C

C

G

-

N
|
N

V

V

T
|
T

I

V

P

P

H

F

K
|
K

E

E

M

E

A

A

F

Y

E

R

L

F

S

A

D

D

R

R

P

L

D

T

E

E

L

R

S

A

A

R

E

L

L

A

G

G

A

A

A

V

N
|
N

T

T

L

L

W

K

-

K

L

L

E

D

D

D

G

G

R

E

I

I

C

L

A

G

T

D

N

N

T

T

D
|
D

G

G

R

E

G

G

F

L

V

V

A

Q

N

D

L

L

D

L

E

A

R

Q

A

Q

S

V

G

-

W

L

D

L

R

K

I

G

S

A

T

T

A

I

V

L

I

L

L

I

G

G

A

A

G

G

A

A

S

A

R

R

A

G

V

V

I

L

Q

K

A

P

V

L

R

L

D

D

R

Q

G

Q

V

P

K

A

T

S

I

I

H

T

V

V

V

T

N

N

R

R

T

T

A

F

A

A

R

K

A

A

Q

E

E

Q

L

L

A

A

D

E

R

L

F

V

G

A

R

-

A

A

V

Y

H

G

A

E

H

V

P

K

I

A

A

Q

A

A

L

F

S

E

E

Q

V

L

M

K

A

Q

G

S

A

Y

G

D

L

V

F

I

V

I

N

N

T

S

T

T

S

S

L

A

G

S

M

L

D

D

G

G

E

E

P

-

A

L

P

P

A

A

I

I

D

D

F

P

S

V

P

I

L

F

A

S

N

S

G

R

A

S

V

V

V

C

T

Y

D

D

I

M

V

M

Y

Y

V

G

P

K

L

G

K

Y

T

T

P

V

L

F

L

N

R

Q

Q

W

A

A

E

R

E

Q

Q

H

G

G

Y

C

-

A

R

Q

I

A

V

I

D

D

G

G

L

L

G

G

M

M

L

L

L

V

H

G

Q
|
Q

A

A

P

E

G

S

F

F

E

M

K

L

W

W

F

R

G

G

L

L

R

R

P

P

V

G

V

T

D

K

E

Q

T

I

L

L

R

R

Q

E

I

L

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S22), S16 (= S24), N59 (= N69), T61 (= T71), K65 (= K75), N86 (= N96), D102 (= D111), Q244 (= Q255)

1nytA Shikimate dehydrogenase aroe complexed with NADP+ (see paper)
39% identity, 92% coverage: 14:277/286 of query aligns to 6:266/271 of 1nytA

query
sites
1nytA

V

V

T

F

G

G

Y

N

P

P

I

I

K

A

H

H

S

S

R

K

S

S

P

P

L

F

I

I

H

H

G

Q

Y

Q

W

F

L

A

K

Q

Q

Q

F

L

G

N

I

I

A

E

G

H

S

P

Y

Y

R

G

A

R

H

V

E

L

V

A

T

P

P

I

E

N

A

D

F

F

P

I

E

N

F

T

M

L

G

N

Q

A

L

F

R

F

D

S

G

A

G

G

T

G

G

K

F

-

C

-

G

G

G

A

N

N

V

V

T

T

I

V

P

P

H

F

K
|
K

E

E

M

E

A

A

F

F

E

A

L

R

S

A

D

D

R

E

P

L

D

T

E

E

L

R

S

A

A

A

E

L

L

A

G

G

A

A

A

V

N

N

T

T

L

L

W

M

-

R

L

L

E

E

D

D

G

G

R

R

I

L

C

L

A

G

T

D

N

N

T

T

D
|
D

G

G

R

V

G

G

F

L

V

L

A

S

N

D

L

L

D

-

E

E

R

R

A

L

S

S

G

F

W

I

D

R

R

P

I

G

S

L

T

R

A

I

V

L

I

L

L

I

G

G

A

A

G
|
G

A
|
A

S

S

R

R

A

G

V

V

I

L

Q

L

A

P

V

L

R

L

D

S

R

L

G

D

V

C

K

-

T

A

I

V

H

T

V

I

V

T

N
|
N

R
|
R

T
|
T

A

V

A

S

R
|
R

A

A

Q

E

E

E

L

L

A

A

D

K

R

L

F

F

G

A

R

-

A

-

V

-

H

H

A

T

H

G

P

S

I

I

A

Q

A

A

L

L

S

S

-

M

E

D

V

E

M

L

A

E

G

G

A

H

-

E

-

F

G

D

L

L

F

I

V

I

N

N

T

A

T
|
T

S
|
S

L
x
S

G

G

M

I

D

S

G

G

E

D

P

-

A

I

P

P

A

A

I

I

D

P

F

S

S

S

P

L

L

I

A

H

N

P

G

G

A

I

V

Y

V

C

T

Y

D

D

I
x
M

V

F

Y

Y

V

Q

P

K

L

G

K

K

T

T

P

P

L

F

L

L

R

A

Q

W

A

C

E

E

E

Q

Q

R

G

G

-

S

Y

K

R

R

I

N

V

A

D

D

G
|
G

L

L

G

G

M
|
M

L
|
L

L

V

H

A

Q

Q

A

A

P

H

G

A

F

F

E

L

K

L

W

W

F

H

G

G

L

V

R

L

P

P

V

D

V

V

D

E

E

P

T

V

L

I

R

K

Q

Q

I

L

binding nadp nicotinamide-adenine-dinucleotide phosphate: K65 (= K75), D102 (= D111), G128 (= G138), G129 (= G139), A130 (= A140), N149 (= N160), R150 (= R161), T151 (= T162), R154 (= R165), T188 (= T199), S189 (= S200), S190 (≠ L201), M213 (≠ I225), G237 (= G248), M240 (= M251), L241 (= L252)

P15770 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Escherichia coli (strain K12) (see paper)
39% identity, 92% coverage: 14:277/286 of query aligns to 6:266/272 of P15770

query
sites
P15770

V

V

T

F

G

G

Y

N

P

P

I

I

K

A

H

H

S

S

R

K

S

S

P

P

L

F

I

I

H

H

G

Q

Y

Q

W

F

L

A

K

Q

Q

Q

F

L

G

N

I

I

A

E

G

H

S

P

Y

Y

R

-

A

G

H

R

E

V

V

L

T

A

P

P

E

-

A

-

F

I

P

N

E

D

F

F

M

I

G

N

Q

T

L

L

R

N

D

A

G

F

-

F

G

S

T

A

G

G

F

G

C

K

G

G

G

A

N

N

V

V

T

T

I

V

P

P

H

F

K

K

E

E

M

E

A

A

F

F

E

A

L

R

S

A

D

D

R

E

P

L

D

T

E

E

L

R

S

A

A

A

E

L

L

A

G

G

A

A

A

V

N

N

T

T

L

L

W

M

-

R

L

L

E

E

D

D

G

G

R

R

I

L

C

L

A

G

T

D

N

N

T

T

D

D

G

G

R

V

G

G

F

L

V

L

A

S

N

D

L

L

D

-

E

E

R

R

A

L

S

S

G

F

W

I

D

R

R

P

I

G

S

L

T

R

A

I

V

L

I

L

L

I

G
|
G

A
|
A

G
|
G

A
|
A

S

S

R

R

A

G

V

V

I

L

Q

L

A

P

V

L

R

L

D

S

R

L

G

D

V

C

K

-

T

A

I

V

H

T

V

I

V

T

N
|
N

R
|
R

T
|
T

A
x
V

A
x
S

R
|
R

A

A

Q

E

E

E

L

L

A

A

D

K

R

L

F

F

G

A

R

-

A

-

V

-

H

H

A

T

H

G

P

S

I

I

A

Q

A

A

L

L

S

S

-

M

E

D

V

E

M

L

A

E

G

G

A

H

-

E

-

F

G

D

L

L

F

I

V

I

N

N

T

A

T

T

S

S

L

S

G

G

M

I

D

S

G

G

E

D

P

-

A

I

P

P

A

A

I

I

D

P

F

S

S

S

P

L

L

I

A

H

N

P

G

G

A

I

V

Y

V

C

T

Y

D

D

I
x
M

V

F

Y

Y

V

Q

P

K

L

G

K

K

T

T

P

P

L

F

L

L

R

A

Q

W

A

C

E

E

E

Q

Q

R

G

G

-

S

Y

K

R

R

I

N

V

A

D

D

G
|
G

L

L

G

G

M

M

L

L

L

V

H

A

Q

Q

A

A

P

H

G

A

F

F

E

L

K

L

W

W

F

H

G

G

L

V

R

L

P

P

V

D

V

V

D

E

E

P

T

V

L

I

R

K

Q

Q

I

L

GAGGA 126:130 (= GAGGA 136:140) binding NADP(+)
NRTVSR 149:154 (≠ NRTAAR 160:165) binding NADP(+)
M213 (≠ I225) binding NADP(+)
G237 (= G248) binding NADP(+)

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
36% identity, 94% coverage: 9:277/286 of query aligns to 1:262/268 of 3sefA

query
sites
3sefA

V

I

N

D

H

Q

A

Y

F

A

V

V

T

F

G

G

Y

N

P

P

I

-

K

-

H

-

S

S

R

K

S

S

P

P

L

F

I

I

H

H

G

T

Y

L

W

F

L

A

K

R

Q

Q

F

T

G

Q

I

Q

A

S

G

M

S

I

Y

Y

R

T

A

A

H

Q

E

C

V

V

T

-

P

P

E

D

A

G

F

F

P

T

E

E

-

A

-

K

-

H

F

F

M

F

G

A

Q

Q

L

-

R

-

D

-

G

G

T

R

G

G

F

-

C

C

G

-

N

N

V

V

T

T

I

V

P

P

H

F

K

K

E

E

M

E

A

A

F

Y

E

R

L

F

S

A

D

D

R

R

P

L

D

T

E

E

L

R

S

A

A

R

E

L

L

A

G

G

A

A

A

V

N

N

T

T

L

L

W

K

-

K

L

L

E

D

D

D

G

G

R

E

I

I

C

L

A

G

T

D

N

N

T

T

D

D

G

G

R

E

G

G

F

L

V

V

A

Q

N

D

L

L

D

L

E

A

R

Q

A

Q

S

V

G

-

W

L

D

L

R

K

I

G

S

A

T

T

A

I

V

L

I

L

L

I

G

G

A

A

G
|
G

G

G

A
|
A

S

A

R

R

A

G

V

V

I

L

Q

K

A

P

V

L

R

L

D

D

R

Q

G

Q

V

P

K

A

T

S

I

I

H

T

V

V

V

T

N
|
N

R
|
R

T
|
T

A

F

A

A

R

K

A

A

Q

E

E

Q

L

L

A

A

D

E

R

L

F

V

G

A

R

-

A

A

V

Y

H

G

A

E

H

V

P

K

I

A

A

Q

A

A

L

F

S

E

E

Q

V

L

M

K

A

Q

G

S

A

Y

G

D

L

V

F

I

V

I

N

N

T
x
S

T
|
T

S
|
S

L
x
A

G

S

M

L

D

D

G

G

E

E

P

-

A

L

P

P

A

A

I

I

D

D

F

P

S

V

P

I

L

F

A

S

N

S

G

R

A

S

V

V

V

C

T

Y

D

D

I

M

V
x
M

Y

Y

V

G

P

K

L

G

K

Y

T

T

P

V

L

F

L

N

R

Q

Q

W

A

A

E

R

E

Q

Q

H

G

G

Y

C

-

A

R

Q

I

A

V

I

D

D

G

G

L

L

G

G

M

M

L

L

L

V

H

G

Q

Q

A

A

P

E

G

S

F

F

E

M

K

L

W

W

F

R

G

G

L

L

R

R

P

P

V

G

V

T

D

K

E

Q

T

I

L

L

R

R

Q

E

I

L

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G124 (= G138), A126 (= A140), N146 (= N160), R147 (= R161), T148 (= T162), S183 (≠ T198), T184 (= T199), S185 (= S200), A186 (≠ L201), M210 (≠ V226)

1npdB X-ray structure of shikimate dehydrogenase complexed with NAD+ from e.Coli (ydib) northeast structural genomics research consortium (nesg) target er24 (see paper)
35% identity, 88% coverage: 14:265/286 of query aligns to 12:272/288 of 1npdB

query
sites
1npdB

V

L

T

M

G

A

Y

Y

P

P

I

I

K

R

H

H

S

S

R

L

S

S

P

P

L

E

I

M

H

Q

G

N

Y

K

W

A

L

L

K

E

Q

K

F

A

G

G

I

L

A

P

G

F

S

T

Y

Y

R

M

A

A

H

F

E

E

V

V

T

D

P

N

E

D

A

S

F

F

P

P

-

G

-

A

-

I

E

E

F

G

M

L

G

K

Q

A

L

L

R

K

D

M

G

R

G

G

T

T

G

G

F

-

C

-

G

-

N

-

V

V

T

S

I

M

P

P

H

N

K

K

E

Q

M

L

A

A

F

C

E

E

L

Y

S

V

D

D

R

E

P

L

D

T

E

P

L

A

S

A

A

K

E

L

L

V

G

G

A

A

A

I

N

N

T

T

L

I

W

V

L

N

E

D

D

D

G

G

R

Y

I

L

C

R

A

G

T

Y

N

N

T

T

D

D

G

G

R

T

G

G

F

H

V

I

A

R

N

A

L

I

D

K

E

E

R

-

A

-

S

S

G

G

W

F

D

D

-

I

R

K

I

G

S

K

T

T

A

M

V

V

I

L

L

L

G

G

A
|
A

G
|
G

A
|
A

S

S

R

T

A

A

V

I

I

G

Q

A

A

Q

V

G

R

A

D

I

R

E

G

G

V

L

K

K

T

E

I

I

H

K

V

L

V

F

N
|
N

R
|
R

T

R

-
x
D

-

E

-
x
F

-

F

-

D

-

K

-

A

-

L

-

A

-

F

A

A

A

Q

R

R

A

V

Q

N

E

E

L

N

A

T

D

D

R

C

F

V

G

V

R

T

A

V

V

T

H

D

A

L

H

A

P

D

I

Q

A

Q

A

A

L

F

S

A

E

E

V

A

M

L

A

A

G

S

A

A

G

D

L

I

F

L

V

T

N

N

T

G

T
|
T

S
x
K

L
x
V

G

G

M
|
M

D

K

G

P

E

L

P

E

A

N

P

E

A

S

I

L

-

V

-

N

D

D

F

I

S

S

P

L

L

L

A

H

N

P

G

G

A

L

V

L

V

V

T

T

D

E

I
x
C

V

V

Y

Y

V

N

P

P

L

H

K

M

T

T

P

K

L

L

R

Q

Q

Q

A

A

E

Q

Q

A

G

G

Y

C

R

K

I

T

V

I

D

D

G

G

L

Y

G

G

M
|
M

L
|
L

L

L

H

W

Q

Q

A

G

A

A

P

E

G

Q

F

F

E

T

K

L

W

W

F

T

G

G

binding nicotinamide-adenine-dinucleotide: A132 (= A137), G133 (= G138), G134 (= G139), A135 (= A140), N155 (= N160), R156 (= R161), D158 (vs. gap), F160 (vs. gap), T204 (= T199), K205 (≠ S200), V206 (≠ L201), M208 (= M203), C232 (≠ I225), M258 (= M251), L259 (= L252)

P0A6D5 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Escherichia coli (strain K12) (see 4 papers)
35% identity, 88% coverage: 14:265/286 of query aligns to 12:272/288 of P0A6D5

query
sites
P0A6D5

V

L

T

M

G

A

Y

Y

P

P

I

I

K

R

H

H

S

S

R

L

S
|
S

P

P

L

E

I

M

H

Q

G

N

Y

K

W

A

L

L

K

E

Q

K

F

A

G

G

I

L

A

P

G

F

S

T

Y
|
Y

R

M

A

A

H

F

E

E

V

V

T

D

P

N

E

D

A

S

F

F

P

P

-

G

-

A

-

I

E

E

F

G

M

L

G

K

Q

A

L

L

R

K

D

M

G

R

G

G

T

T

G

G

F

-

C

-

G

-

N

-

V

V

T
x
S

I

M

P

P

H

N

K
|
K

E

Q

M

L

A

A

F

C

E

E

L

Y

S

V

D

D

R

E

P

L

D

T

E

P

L

A

S

A

A

K

E

L

L

V

G

G

A

A

A

I

N
|
N

T

T

L

I

W

V

L

N

E

D

D

D

G

G

R

Y

I

L

C

R

A

G

T

Y

N

N

T
|
T

D
|
D

G

G

R

T

G

G

F

H

V

I

A

R

N

A

L

I

D

K

E

E

R

-

A

-

S

S

G

G

W

F

D

D

-

I

R

K

I

G

S

K

T

T

A

M

V

V

I

L

L

L

G

G

A
|
A

G
|
G

A
|
A

S

S

R

T

A

A

V

I

I

G

Q

A

A

Q

V

G

R

A

D

I

R

E

G

G

V

L

K

K

T

E

I

I

H

K

V

L

V

F

N
|
N

R
|
R

T
x
R

-
x
D

-

E

-

F

-

D

-

K

-

A

-

L

-

A

-

F

A

A

A

Q

R

R

A

V

Q

N

E

E

L

N

A

T

D

D

R

C

F

V

G

V

R

T

A

V

V

T

H

D

A

L

H

A

P

D

I

Q

A

Q

A

A

L

F

S

A

E

E

V

A

M

L

A

A

G

S

A

A

G

D

L

I

F

L

V

T

N

N

T

G

T

T

S
x
K

L

V

G

G

M

M

D

K

G

P

E

L

P

E

A

N

P

E

A

S

I

L

-

V

-

N

D

D

F

I

S

S

P

L

L

L

A

H

N

P

G

G

A

L

V

L

V

V

T

T

D

E

I
x
C

V
|
V

Y
|
Y

V
x
N

P

P

L

H

K

M

T

T

P

K

L

L

R

Q

Q

Q

A

A

E

Q

Q

A

G

G

Y

C

R

K

I

T

V

I

D

D

G
|
G

L

Y

G

G

M

M

L

L

H

W

Q
|
Q

A

G

A

A

P

E

G

Q

F

F

E

T

K

L

W

W

F

T

G

G

S22 (= S24) mutation to A: Kinetically unchanged as compared with the wild-type.
Y39 (= Y41) mutation to F: Kinetically unchanged as compared with the wild-type.
S67 (≠ T71) mutation to A: Reduces activity towards quinate about 6-fold, but has a little effect on shikimate conversion.
K71 (= K75) mutation to A: 3200-fold decrease in the affinity for quinate. 170-fold decrease in the affinity for shikimate.; mutation to G: 10-fold greater reduction in catalytic efficiency is observed with quinate than with shikimate.
N92 (= N96) mutation to A: Alters protein structure. Loss of activity for both substrates.
T106 (= T110) mutation to A: 2000-fold decrease in the affinity for quinate. 70-fold decrease in the affinity for shikimate. 10-fold greater reduction in catalytic efficiency is observed with quinate than with shikimate.
D107 (= D111) mutation to A: Loss of activity towards quinate. 20000-fold decrease in the affinity for shikimate.
AGGA 132:135 (= AGGA 137:140) binding NAD(+)
NRRD 155:158 (≠ NRT- 160:162) binding NAD(+)
K205 (≠ S200) binding NAD(+)
CVYN 232:235 (≠ IVYV 225:228) binding NAD(+)
G255 (= G248) binding NAD(+)
Q262 (= Q255) mutation to A: 3-fold reduction in catalytic efficiency for both substrates.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

1o9bA Quinate/shikimate dehydrogenase ydib complexed with nadh (see paper)
35% identity, 88% coverage: 14:265/286 of query aligns to 6:266/280 of 1o9bA

query
sites
1o9bA

V

L

T

M

G

A

Y

Y

P

P

I

I

K

R

H

H

S

S

R

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S

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P

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E

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M

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N

Y

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W

A

L

L

K

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Q

K

F

A

G

G

I

L

A

P

G

F

S

T

Y

Y

R

M

A

A

H

F

E

E

V

V

T

D

P

N

E

D

A

S

F

F

P

P

-

G

-

A

-

I

E

E

F

G

M

L

G

K

Q

A

L

L

R

K

D

M

G

R

G

G

T

T

G

G

F

-

C

-

G

-

N

-

V

V

T

S

I

M

P

P

H

N

K

K

E

Q

M

L

A

A

F

C

E

E

L

Y

S

V

D

D

R

E

P

L

D

T

E

P

L

A

S

A

A

K

E

L

L

V

G

G

A

A

A

I

N

N

T

T

L

I

W

V

L

N

E

D

D

D

G

G

R

Y

I

L

C

R

A

G

T

Y

N

N

T

T

D

D

G

G

R

T

G

G

F

H

V

I

A

R

N

A

L

I

D

K

E

E

R

-

A

-

S

S

G

G

W

F

D

D

-

I

R

K

I

G

S

K

T

T

A

M

V

V

I

L

L

L

G

G

A
|
A

G
|
G

A
|
A

S

S

R

T

A

A

V

I

I

G

Q

A

A

Q

V

G

R

A

D

I

R

E

G

G

V

L

K

K

T

E

I

I

H

K

V

L

V

F

N

N

R
|
R

T

R

-

D

-

E

-
x
F

-

F

-

D

-

K

-

A

-

L

-

A

-

F

A

A

A

Q

R

R

A

V

Q

N

E

E

L

N

A

T

D

D

R

C

F

V

G

V

R

T

A

V

V

T

H

D

A

L

H

A

P

D

I

Q

A

Q

A

A

L

F

S

A

E

E

V

A

M

L

A

A

G

S

A

A

G

D

L

I

F

L

V

T

N

N

T

G

T

T

S
x
K

L
x
V

G

G

M
|
M

D

K

G

P

E

L

P

E

A

N

P

E

A

S

I

L

-

V

-

N

D

D

F

I

S

S

P

L

L

L

A

H

N

P

G

G

A

L

V

L

V

V

T

T

D

E

I
x
C

V

V

Y
|
Y

V

N

P

P

L

H

K

M

T

T

P

K

L

L

R

Q

Q

Q

A

A

E

Q

Q

A

G

G

Y

C

R

K

I

T

V

I

D

D

G

G

L

Y

G

G

M
|
M

L
|
L

L

L

H

W

Q

Q

A

G

A

A

P

E

G

Q

F

F

E

T

K

L

W

W

F

T

G

G

binding 1,4-dihydronicotinamide adenine dinucleotide: A126 (= A137), G127 (= G138), G128 (= G139), A129 (= A140), R150 (= R161), F154 (vs. gap), K199 (≠ S200), V200 (≠ L201), M202 (= M203), C226 (≠ I225), Y228 (= Y227), M252 (= M251), L253 (= L252)

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
31% identity, 93% coverage: 14:279/286 of query aligns to 16:282/287 of 1nvtB

query
sites
1nvtB

V

L

T

I

G

G

Y

H

P

P

I

V

K
x
E

H
|
H

S

S

R

F

S

S

P

P

L

I

I

M

H

H

G

N

Y

A

W

A

L

F

K

K

Q

D

F

K

G

G

I

L

A

N

G

Y

S

V

Y

Y

R

V

A

A

H

F

E

D

V

V

T

L

P

P

E

E

A

N

F

L

P

K

E

Y

F

V

M

I

G

D

Q

G

L

A

R

K

D

-

G

-

G

A

T

L

G

G

F

I

C

V

G

G

G

F

N

N

V

V

T

T

I
|
I

P

P

H

H

K
|
K

E

I

M

E

A

I

F

M

E

K

L

Y

S

L

D

D

R

E

P

I

D

D

E

K

L

D

S

A

A

Q

E

L

L

I

G

G

A

A

A

V

N

N

T

T

L

I

W

K

L

I

E

E

D

D

G

G

R

K

I

A

C

I

A

G

T

Y

N

N

T

T

D
|
D

G

G

R

I

G

G

F

A

V

R

A

M

N

A

L

L

D

E

E

E

R

E

A

I

S

G

G

R

W

V

D

K

R

D

I

K

S

N

T

I

A

V

V

I

I

Y

L
x
G

G

A

A
x
G

G
|
G

G
x
A

A

A

S

R

R

A

A

V

V

A

I

F

Q

E

A

L

V

A

R

K

D

D

R

N

G

-

V

-

K

-

T

N

I

I

H

I

V

I

V

A

N
|
N

R
|
R

T
|
T

A

V

A

E

R
x
K

A

A

Q

E

E

A

L

L

A

A

D

K

-

E

-

I

-

A

-

E

-

K

-

L

-

N

-

K

R

K

F

F

G

G

R

E

A

E

V

V

H

K

A

-

H

-

P

-

I

F

A

S

A

G

L

L

S

D

E

V

V

D

M

L

A

D

G

G

A

V

G

D

L

I

F

I

V

I

N

N

T
x
A

T
|
T

S
x
P

L
x
I

G

G

M
|
M

D

-

G

-

E

-

P

-

A

Y

P

P

A

N

I

I

D

D

F

V

S

E

P

P

L

I

A

V

N

K

G

A

-

E

-

K

-

L

-

R

-

E

-

D

A

M

V

V

T

M

D

D

I
x
L

V

I

Y
|
Y

V

N

P

P

L

L

K

E

T

T

P

V

L

L

R

K

Q

E

A

A

E

K

Q

V

G

N

Y

A

R

K

I

T

V

I

D

N

G

G

L

L

G

G

M
|
M

L
|
L

L

I

H

Y

Q

Q

A

G

A

A

P

V

G

A

F

F

E

K

K

I

W

W

F

T

G

G

L

V

R

E

P

P

V

N

V

I

D

-

E

E

T

V

L

M

R

K

Q

N

I

A

I

I

active site: K75 (= K75), D111 (= D111)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I72 (= I72), G135 (≠ L135), G137 (≠ A137), G138 (= G138), A139 (≠ G139), N157 (= N160), R158 (= R161), T159 (= T162), K162 (≠ R165), A200 (≠ T198), T201 (= T199), P202 (≠ S200), I203 (≠ L201), M205 (= M203), L229 (≠ I225), Y231 (= Y227), M255 (= M251), L256 (= L252)
binding zinc ion: E22 (≠ K20), H23 (= H21)

1nvtA Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
31% identity, 93% coverage: 14:279/286 of query aligns to 16:282/287 of 1nvtA

query
sites
1nvtA

V

L

T

I

G

G

Y

H

P

P

I

V

K

E

H

H

S

S

R

F

S

S

P

P

L

I

I

M

H

H

G

N

Y

A

W

A

L

F

K

K

Q

D

F

K

G

G

I

L

A

N

G

Y

S

V

Y

Y

R

V

A

A

H

F

E

D

V

V

T

L

P

P

E

E

A

N

F

L

P

K

E

Y

F

V

M

I

G

D

Q

G

L

A

R

K

D

-

G

-

G

A

T

L

G

G

F

I

C

V

G

G

G

F

N

N

V

V

T

T

I

I

P

P

H

H

K
|
K

E

I

M

E

A

I

F

M

E

K

L

Y

S

L

D

D

R

E

P

I

D

D

E

K

L

D

S

A

A

Q

E

L

L

I

G

G

A

A

A

V

N

N

T

T

L

I

W

K

L

I

E

E

D

D

G

G

R

K

I

A

C

I

A

G

T

Y

N

N

T

T

D
|
D

G

G

R

I

G

G

F

A

V

R

A

M

N

A

L

L

D

E

E

E

R

E

A

I

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G

R

W

V

D

K

R

D

I

K

S

N

T

I

A

V

V

I

I

Y

L
x
G

G

A

A

G

G

G

G
x
A

A

A

S

R

R

A

A

V

V

A

I

F

Q

E

A

L

V

A

R

K

D

D

R

N

G

-

V

-

K

-

T

N

I

I

H

I

V

I

V

A

N
|
N

R
|
R

T
|
T

A

V

A

E

R
x
K

A

A

Q

E

E

A

L

L

A

A

D

K

-

E

-

I

-

A

-

E

-

K

-

L

-

N

-

K

R

K

F

F

G

G

R

E

A

E

V

V

H

K

A

-

H

-

P

-

I

F

A

S

A

G

L

L

S

D

E

V

V

D

M

L

A

D

G

G

A

V

G

D

L

I

F

I

V

I

N

N

T
x
A

T
|
T

S
x
P

L
x
I

G

G

M
|
M

D

-

G

-

E

-

P

-

A

Y

P

P

A

N

I

I

D

D

F

V

S

E

P

P

L

I

A

V

N

K

G

A

-

E

-

K

-

L

-

R

-

E

-

D

A

M

V

V

T

M

D

D

I
x
L

V

I

Y
|
Y

V

N

P

P

L

L

K

E

T

T

P

V

L

L

R

K

Q

E

A

A

E

K

Q

V

G

N

Y

A

R

K

I

T

V

I

D

N

G
|
G

L

L

G

G

M
|
M

L
|
L

L

I

H

Y

Q

Q

A

G

A

A

P

V

G

A

F

F

E

K

K

I

W

W

F

T

G

G

L

V

R

E

P

P

V

N

V

I

D

-

E

E

T

V

L

M

R

K

Q

N

I

A

I

I

active site: K75 (= K75), D111 (= D111)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G135 (≠ L135), A139 (≠ G139), N157 (= N160), R158 (= R161), T159 (= T162), K162 (≠ R165), A200 (≠ T198), T201 (= T199), P202 (≠ S200), I203 (≠ L201), M205 (= M203), L229 (≠ I225), Y231 (= Y227), G252 (= G248), M255 (= M251), L256 (= L252)

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)
31% identity, 93% coverage: 14:279/286 of query aligns to 11:277/282 of Q58484

query
sites
Q58484

V

L

T

I

G

G

Y

H

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P

I

V

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E

H

H

S

S

R

F

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P

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N

Y

A

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A

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K

Q

D

F

K

G

G

I

L

A

N

G

Y

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V

Y

Y

R

V

A

A

H

F

E

D

V

V

T

L

P

P

E

E

A

N

F

L

P

K

E

Y

F

V

M

I

G

-

Q

-

L

-

R

-

D

D

G

G

G

A

T

K

-

A

-

L

G

G

F

I

C

V

G

G

G

F

N

N

V

V

T

T

I

I

P

P

H

H

K

K

E

I

M

E

A

I

F

M

E

K

L

Y

S

L

D

D

R

E

P

I

D

D

E

K

L

D

S

A

A

Q

E

L

L

I

G

G

A

A

A

V

N

N

T

T

L

I

W

K

L

I

E

E

D

D

G

G

R

K

I

A

C

I

A

G

T

Y

N

N

T

T

D

D

G

G

R

I

G

G

F

A

V

R

A

M

N

A

L

L

D

E

E

E

R

E

A

I

S

G

G

R

W

V

D

K

R

D

I

K

S

N

T

I

A

V

V

I

I

Y

L
x
G

G
x
A

A
x
G

G
|
G

G
x
A

A

A

S

R

R

A

A

V

V

A

I

F

Q

E

A

L

V

A

R

K

D

D

R

N

G

-

V

-

K

-

T

N

I

I

H

I

V

I

V

A

N
|
N

R
|
R

T
|
T

A
x
V

A
x
E

R
x
K

A

A

Q

E

E

A

L

L

A

A

D

K

-

E

-

I

-

A

-

E

-

K

-

L

-

N

-

K

R

K

F

F

G

G

R

E

A

E

V

V

H

K

A

-

H

-

P

-

I

F

A

S

A

G

L

L

S

D

E

V

V

D

M

L

A

D

G

G

A

V

G

D

L

I

F

I

V

I

N

N

T

A

T
|
T

S

P

L

I

G

G

M
|
M

D

-

G

-

E

-

P

-

A

Y

P

P

A

N

I

I

D

D

F

V

S

E

P

P

L

I

A

V

N

K

G

A

-

E

-

K

-

L

-

R

-

E

-

D

A

M

V

V

T

M

D

D

I
x
L

V

I

Y

Y

V

N

P

P

L

L

K

E

T

T

P

V

L

L

R

K

Q

E

A

A

E

K

Q

V

G

N

Y

A

R

K

I

T

V

I

D

N

G

G

L

L

G

G

M

M

L

L

L

I

H

Y

Q

Q

A

G

A

A

P

V

G

A

F

F

E

K

K

I

W

W

F

T

G

G

L

V

R

E

P

P

V

N

V

I

D

-

E

E

T

V

L

M

R

K

Q

N

I

A

I

I

GAGGA 130:134 (≠ LGAGG 135:139) binding NADP(+)
NRTVEK 152:157 (≠ NRTAAR 160:165) binding NADP(+)
T196 (= T199) binding NADP(+)
M200 (= M203) binding NADP(+)
L224 (≠ I225) 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
34% identity, 94% coverage: 9:277/286 of query aligns to 1:239/244 of 3sefC

query
sites
3sefC

V

I

N

D

H

Q

A

Y

F

A

V

V

T

F

G

G

Y

N

P

P

I

I

K

N

H

H

S
|
S

R

K

S
|
S

P

P

L

F

I

I

H

H

G

T

Y

L

W

F

L

A

K

R

Q

Q

F

T

G

Q

I

Q

A

S

G

M

S

I

Y

Y

R

T

A

A

H

Q

E

C

V

V

T

P

P

V

E

D

A

G

F

F

P

T

E

E

-

A

-

K

-

H

F

F

M

F

G

A

Q

Q

L

-

R

-

D

-

G

G

T

R

G

G

F

-

C

C

G

-

N

N

V

V

T

T

I

V

P

P

H

F

K
|
K

E

E

M

E

A

A

F

Y

E

R

L

F

S

A

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D

R

R

P

L

D

T

E

E

L

R

S

A

A

R

E

L

L

A

G

G

A

A

A

V

N

N

T

T

L

L

W

K

L

K

E

D

D

D

G

G

R

E

I

I

C

L

A

G

T

D

N

N

T

T

D
|
D

G

G

R

E

G

G

F

L

V

V

A

Q

N

D

L

L

D

L

E

A

R

Q

A

Q

S

V

G

-

W

L

D

L

R

K

I

G

S

A

T

T

A

I

V

L

I

L

L

I

G

G

A

A

G

G

A

A

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R

A

G

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K

A

P

V

L

R

L

D

D

R

Q

G

Q

V

P

K

A

T

S

I

I

H

T

V

V

V

T

N

N

R

R

T

T

A

F

A

A

R

K

A

A

Q

E

E

Q

L

L

A

A

D

E

R

L

F

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G

A

R

-

A

A

V

Y

H

G

A

E

H

V

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K

I

A

A

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A

A

L

F

S

E

E

Q

V

L

M

K

A

Q

G

S

A

Y

G

D

L

V

F

I

V

I

N

N

T

S

T

T

S

S

L

-

G

-

M

-

D

-

G

-

E

-

P

-

A

-

P

-

A

A

I

I

D

D

F

P

S

V

P

I

L

F

A

S

N

S

G

R

A

S

V

V

V

C

T

Y

D

D

I

M

V

M

Y

Y

V

G

P

-

L

-

K

-

T

-

P

-

L

-

R

-

Q

-

A

-

E

-

Q

-

G

-

Y

-

R

-

I

-

V

I

D

D

G

G

L

L

G

G

M

M

L

L

L

V

H

G

Q
|
Q

A

A

P

E

G

S

F

F

E

M

K

L

W

W

F

R

G

G

L

L

R

R

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P

V

G

V

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D

K

E

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T

I

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L

R

R

Q

E

I

L

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S22), S16 (= S24), K65 (= K75), D101 (= D111), Q217 (= Q255)

2cy0A Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP (see paper)
40% identity, 89% coverage: 14:268/286 of query aligns to 6:248/262 of 2cy0A

query
sites
2cy0A

V

V

T

L

G

G

Y

H

P

P

I

V

K

A

H

H

S

S

R

L

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S

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P

L

A

I

M

H

H

G

A

Y

F

W

A

L

L

K

E

Q

S

F

L

G

G

I

L

A

E

G

G

S

S

Y

Y

R

E

A

A

H

W

E

D

V

T

T

P

P

L

E

E

A

A

F

L

P

P

E

-

F

-

M

-

G

G

Q

R

L

L

R

K

D

E

G

V

G

R

T

R

G

A

F

F

C

R

G

G

G

V

N

N

V

L

T

T

I

L

P

P

H

L

K
|
K

E

E

M

A

A

A

F

L

E

A

L

H

S

L

D

D

R

W

P

V

D

S

E

P

L

E

S

A

A

Q

E

R

L

I

G

G

A

A

A

V

N

N

T

T

L

V

W

L

L

Q

E

V

D

E

G

G

R

R

I

L

C

F

A

G

T

F

N

N

T

T

D
|
D

G

A

R

P

G

G

F

F

V

L

A

E

N

A

L

L

D

-

E

-

R

K

A

A

S

G

G

G

W

I

D

P

R

L

I

K

S

G

T

P

A

A

V

L

I

V

L

L

G
|
G

A

A

G

G

G
|
G

A
|
A

S

G

R

R

A

A

V

V

I

A

Q

F

A

A

V

L

R

R

D

E

R

A

G

G

V

L

K

E

T

-

I

V

H

W

V

V

V

W

N
|
N

R
|
R

T
|
T

A

P

A

Q

R
|
R

A

A

Q

L

E

A

L

L

A

A

D

E

R

E

F

F

G

G

R

-

A

-

V

L

H

R

A

A

H

V

P

P

I

L

A

E

A

K

L

A

S

R

E

E

V

-

M

-

A

-

G

-

A

A

G

R

L

L

F

L

V

V

N

N

T

A

T
|
T

S
x
R

L
x
V

G

G

M

L

D

E

-

D

-

P

-

S

G

A

E

S

P

P

A

L

P

P

A

A

I

E

D

L

F

F

S

P

P

-

L

-

A

E

N

E

G

G

A

A

V

A

V

V

T

-

D

D

I
x
L

V

V

Y

Y

V

R

P

P

L

L

K

W

T

T

P

R

L

F

L

L

R

R

Q

E

A

A

E

K

E

A

Q

K

G

G

Y

L

R

K

I

V

V

Q

D

T

G

G

L

L

G

P

M

M

L
|
L

L

A

H

W

Q

Q

A

G

A

A

P

L

G

A

F

F

E

R

K

L

W

W

F

T

G

G

L

L

R

L

P

P

active site: K64 (= K75), D100 (= D111)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G123 (= G136), G126 (= G139), A127 (= A140), N146 (= N160), R147 (= R161), T148 (= T162), R151 (= R165), T179 (= T199), R180 (≠ S200), V181 (≠ L201), L205 (≠ I225), L232 (= L252)

2ev9B Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP(h) and shikimate (see paper)
40% identity, 89% coverage: 14:268/286 of query aligns to 6:248/263 of 2ev9B

query
sites
2ev9B

V

V

T

L

G

G

Y

H

P

P

I

V

K

A

H

H

S
|
S

R

L

S
|
S

P

P

L

A

I

M

H

H

G

A

Y

F

W

A

L

L

K

E

Q

S

F

L

G

G

I

L

A

E

G

G

S

S

Y

Y

R

E

A

A

H

W

E

D

V

T

T

P

P

L

E

E

A

A

F

L

P

P

E

-

F

-

M

-

G

G

Q

R

L

L

R

K

D

E

G

V

G

R

T

R

G

A

F

F

C

R

G

G

G

V

N
|
N

V

L

T
|
T

I

L

P

P

H

L

K
|
K

E

E

M

A

A

A

F

L

E

A

L

H

S

L

D

D

R

W

P

V

D

S

E

P

L

E

S

A

A

Q

E

R

L

I

G

G

A

A

A

V

N
|
N

T

T

L

V

W

L

L

Q

E

V

D

E

G

G

R

R

I

L

C

F

A

G

T

F

N

N

T

T

D
|
D

G

A

R

P

G

G

F

F

V

L

A

E

N

A

L

L

D

-

E

-

R

K

A

A

S

G

G

G

W

I

D

P

R

L

I

K

S

G

T

P

A

A

V

L

I

V

L

L

G

G

A

A

G

G

A

A

S

G

R

R

A

A

V

V

I

A

Q

F

A

A

V

L

R

R

D

E

R

A

G

G

V

L

K

E

T

-

I

V

H

W

V

V

V

W

N

N

R

R

T

T

A

P

A

Q

R

R

A

A

Q

L

E

A

L

L

A

A

D

E

R

E

F

F

G

G

R

-

A

-

V

L

H

R

A

A

H

V

P

P

I

L

A

E

A

K

L

A

S

R

E

E

V

-

M

-

A

-

G

-

A

A

G

R

L

L

F

L

V

V

N

N

T

A

T

T

S

R

L

V

G

G

M

L

D

E

-

D

-

P

-

S

G

A

E

S

P

P

A

L

P

P

A

A

I

E

D

L

F

F

S

P

P

-

L

-

A

E

N

E

G

G

A

A

V

A

V

V

T

-

D

D

I

L

V

V

Y

Y

V

R

P

P

L

L

K

W

T

T

P

R

L

F

L

L

R

R

Q

E

A

A

E

K

E

A

Q

K

G

G

Y

L

R

K

I

V

V

Q

D

T

G

G

L

L

G

P

M

M

L

L

L

A

H

W

Q
|
Q

A

G

A

A

P

L

G

A

F

F

E

R

K

L

W

W

F

T

G

G

L

L

R

L

P

P

active site: K64 (= K75), D100 (= D111)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S22), S16 (= S24), N58 (= N69), T60 (= T71), K64 (= K75), N85 (= N96), D100 (= D111), Q235 (= Q255)

Q5SJF8 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8) (see paper)
40% identity, 89% coverage: 14:268/286 of query aligns to 6:248/263 of Q5SJF8

query
sites
Q5SJF8

V

V

T

L

G

G

Y

H

P

P

I

V

K

A

H

H

S
|
S

R
x
L

S
|
S

P

P

L

A

I

M

H

H

G

A

Y

F

W

A

L

L

K

E

Q

S

F

L

G

G

I

L

A

E

G

G

S

S

Y

Y

R

E

A

A

H

W

E

D

V

T

T

P

P

L

E

E

A

A

F

L

P

P

E

-

F

-

M

-

G

G

Q

R

L

L

R

K

D

E

G

V

G

R

T

R

G

A

F

F

C

R

G

G

G

V

N

N

V

L

T
|
T

I

L

P

P

H

L

K
|
K

E

E

M

A

A

A

F

L

E

A

L

H

S

L

D

D

R

W

P

V

D

S

E

P

L

E

S

A

A

Q

E

R

L

I

G

G

A

A

A

V

N
|
N

T

T

L

V

W

L

L

Q

E

V

D

E

G

G

R

R

I

L

C

F

A

G

T

F

N

N

T

T

D
|
D

G

A

R

P

G

G

F

F

V

L

A

E

N

A

L

L

D

-

E

-

R

K

A

A

S

G

G

G

W

I

D

P

R

L

I

K

S

G

T

P

A

A

V

L

I

V

L

L

G
|
G

A
|
A

G
|
G

A
|
A

S

G

R

R

A

A

V

V

I

A

Q

F

A

A

V

L

R

R

D

E

R

A

G

G

V

L

K

E

T

-

I

V

H

W

V

V

V

W

N
|
N

R
|
R

T
|
T

A
x
P

A
x
Q

R
|
R

A

A

Q

L

E

A

L

L

A

A

D

E

R

E

F

F

G

G

R

-

A

-

V

L

H

R

A

A

H

V

P

P

I

L

A

E

A

K

L

A

S

R

E

E

V

-

M

-

A

-

G

-

A

A

G

R

L

L

F

L

V

V

N

N

T

A

T

T

S

R

L

V

G

G

M

L

D

E

-

D

-

P

-

S

G

A

E

S

P

P

A

L

P

P

A

A

I

E

D

L

F

F

S

P

P

-

L

-

A

E

N

E

G

G

A

A

V

A

V

V

T

-

D

D

I
x
L

V

V

Y
|
Y

V

R

P

P

L

L

K

W

T

T

P

R

L

F

L

L

R

R

Q

E

A

A

E

K

E

A

Q

K

G

G

Y

L

R

K

I

V

V

Q

D

T

G
|
G

L

L

G

P

M

M

L

L

L

A

H

W

Q
|
Q

A

G

A

A

P

L

G

A

F

F

E

R

K

L

W

W

F

T

G

G

L

L

R

L

P

P

SLS 14:16 (≠ SRS 22:24) binding shikimate
T60 (= T71) binding shikimate
K64 (= K75) active site, Proton acceptor
N85 (= N96) binding shikimate
D100 (= D111) binding shikimate
GAGGA 123:127 (= GAGGA 136:140) binding NADP(+)
NRTPQR 146:151 (≠ NRTAAR 160:165) binding NADP(+)
L205 (≠ I225) binding NADP(+)
Y207 (= Y227) binding shikimate
G228 (= G248) binding NADP(+)
Q235 (= Q255) binding shikimate

Query Sequence

>WP_012709829.1 NCBI__GCF_000018545.1:WP_012709829.1
MRDSRETFVNHAFVTGYPIKHSRSPLIHGYWLKQFGIAGSYRAHEVTPEAFPEFMGQLRD
GGTGFCGGNVTIPHKEMAFELSDRPDELSAELGAANTLWLEDGRICATNTDGRGFVANLD
ERASGWDRISTAVILGAGGASRAVIQAVRDRGVKTIHVVNRTAARAQELADRFGRAVHAH
PIAALSEVMAGAGLFVNTTSLGMDGEPAPAIDFSPLANGAVVTDIVYVPLKTPLLRQAEE
QGYRIVDGLGMLLHQAAPGFEKWFGLRPVVDETLRQIIIKDMDVHA

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory