SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012965409.1 NCBI__GCF_000025505.1:WP_012965409.1 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)

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
43% identity, 96% coverage: 2:258/267 of query aligns to 7:264/269 of 2hk9A

query
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2hk9A

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binding 2'-monophosphoadenosine-5'-diphosphate: V67 (≠ I62), G132 (= G123), G133 (= G124), A134 (= A125), N153 (= N144), R154 (= R145), T155 (= T146), T188 (= T179), S189 (≠ P180), V190 (≠ L181)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S14), S21 (= S16), N64 (= N59), K70 (= K65), N91 (= N85), D106 (= D98), Y216 (= Y208), L239 (= L233), Q242 (= Q236)

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
43% identity, 96% coverage: 2:258/267 of query aligns to 7:264/267 of 2hk9B

query
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2hk9B

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binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (≠ I62), G130 (= G121), G133 (= G124), A134 (= A125), N153 (= N144), R154 (= R145), T155 (= T146), K158 (≠ R149), T188 (= T179), S189 (≠ P180), V190 (≠ L181), I214 (≠ M206), M238 (= M232), L239 (= L233)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S14), S21 (= S16), N64 (= N59), T66 (= T61), K70 (= K65), N91 (= N85), D106 (= D98), Y216 (= Y208), L239 (= L233), Q242 (= Q236)

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
43% identity, 96% coverage: 2:258/267 of query aligns to 7:264/269 of O67049

query
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O67049

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SLS 19:21 (= SLS 14:16) binding shikimate
D82 (≠ G76) binding NADP(+)
N91 (= N85) binding shikimate
D106 (= D98) binding shikimate
GAGGA 130:134 (= GAGGA 121:125) binding NADP(+)
I214 (≠ M206) binding NADP(+)
Y216 (= Y208) binding shikimate
G235 (= G229) binding NADP(+)
Q242 (= Q236) binding shikimate

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)
41% identity, 98% coverage: 2:262/267 of query aligns to 7:280/282 of Q58484

query
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Q58484

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GAGGA 130:134 (≠ AGGAA 122:126) binding NADP(+)
NRTVEK 152:157 (≠ NRTEER 144:149) binding NADP(+)
T196 (= T179) binding NADP(+)
M200 (= M183) binding NADP(+)
L224 (≠ M206) binding NADP(+)

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
41% identity, 98% coverage: 2:262/267 of query aligns to 12:285/287 of 1nvtB

query
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1nvtB

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E

K

-

A

-

I

G

G

Y

Y

N

N

T

T

D
|
D

A

G

Y

I

G

G

V

A

L

R

K

M

S

A

L

L

E

E

H

E

D

I

V

G

D

R

F

V

S

K

S

D

R

K

F

N

L

I

I

V

I

I

G

Y

A
x
G

G

A

G
|
G

A
x
G

A
|
A

R

A

A

R

A

A

V

V

F

A

S

F

L

E

V

L

E

A

R

K

G

D

S

N

E

N

V

I

Y

I

V

I

T

A

N
|
N

R
|
R

T
|
T

E

V

E

E

R
x
K

G

A

E

E

K

A

L

L

A

A

K

K

E

E

A

I

G

A

C

E

H

K

F

L

V

N

-

K

K

K

M

F

G

G

E

E

-

E

-

V

-

K

-

F

-

S

-

G

-

L

-

D

V

V

E

D

R

L

M

D

R

G

F

V

D

D

V

I

L

I

I

I

N

N

A
|
A

T
|
T

P
|
P

L
x
I

G

G

M
|
M

V

Y

G

P

M

N

E

I

R

D

A

V

L

E

P

P

-

I

V

V

K

K

E

A

D

E

V

K

I

L

K

R

R

E

A

D

S

M

V

V

F

M

D

D

M
x
L

V

I

Y
|
Y

N

N

P

P

A

L

E

E

T

T

L

V

F

L

I

L

K

K

K

E

A

A

K

K

E

K

F

V

G

N

K

A

E

K

V

T

I

I

Y

N

G

G

Y

L

E

G

M
|
M

L
|
L

L

I

Y

Y

Q

Q

A

G

Y

A

E

V

A

A

F

F

K

K

I

I

W

W

N

T

G

G

F

V

Y

E

P

P

P

N

L

I

E

E

V

V

M

M

K

K

E

N

A

A

L

I

K

D

K

K

L

I

active site: K75 (= K65), D111 (= D98)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I72 (= I62), G135 (≠ A122), G137 (= G124), G138 (≠ A125), A139 (= A126), N157 (= N144), R158 (= R145), T159 (= T146), K162 (≠ R149), A200 (= A178), T201 (= T179), P202 (= P180), I203 (≠ L181), M205 (= M183), L229 (≠ M206), Y231 (= Y208), M255 (= M232), L256 (= L233)
binding zinc ion: E22 (≠ K12), H23 (= H13)

1nvtA Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
41% identity, 98% coverage: 2:262/267 of query aligns to 12:285/287 of 1nvtA

query
sites
1nvtA

K

K

L

V

F

I

G

G

V

L

I

I

G

G

Y

H

P

P

I

V

K

E

H

H

S

S

L

F

S

S

P

P

D

I

M

M

F

H

N

N

A

A

V

A

F

F

K

K

R

D

L

K

K

G

L

L

D

N

A

Y

V

V

Y

Y

L

V

K

A

L

F

E

D

V

V

K

L

P

P

E

E

N

N

L

L

K

K

E

Y

A

V

L

I

I

D

G

G

A

A

K

K

A

A

L

L

G

G

F

I

V

V

G

G

L

F

N

N

V

V

T

T

I

I

P

P

F

H

K
|
K

E

I

R

E

V

I

L

M

Q

K

F

Y

V

L

-

D

K

E

A

I

R

D

G

K

V

D

A

A

E

Q

K

L

I

I

K

G

A

A

V

V

N

N

T

T

V

I

K

K

L

I

E

E

E

D

M

G

E

K

-

A

-

I

G

G

Y

Y

N

N

T

T

D
|
D

A

G

Y

I

G

G

V

A

L

R

K

M

S

A

L

L

E

E

H

E

D

I

V

G

D

R

F

V

S

K

S

D

R

K

F

N

L

I

I

V

I

I

G

Y

A
x
G

G

A

G

G

A

G

A
|
A

R

A

A

R

A

A

V

V

F

A

S

F

L

E

V

L

E

A

R

K

G

D

S

N

E

N

V

I

Y

I

V

I

T

A

N
|
N

R
|
R

T
|
T

E

V

E

E

R
x
K

G

A

E

E

K

A

L

L

A

A

K

K

E

E

A

I

G

A

C

E

H

K

F

L

V

N

-

K

K

K

M

F

G

G

E

E

-

E

-

V

-

K

-

F

-

S

-

G

-

L

-

D

V

V

E

D

R

L

M

D

R

G

F

V

D

D

V

I

L

I

I

I

N

N

A
|
A

T
|
T

P
|
P

L
x
I

G

G

M
|
M

V

Y

G

P

M

N

E

I

R

D

A

V

L

E

P

P

-

I

V

V

K

K

E

A

D

E

V

K

I

L

K

R

R

E

A

D

S

M

V

V

F

M

D

D

M
x
L

V

I

Y
|
Y

N

N

P

P

A

L

E

E

T

T

L

V

F

L

I

L

K

K

K

E

A

A

K

K

E

K

F

V

G

N

K

A

E

K

V

T

I

I

Y

N

G
|
G

Y

L

E

G

M
|
M

L
|
L

L

I

Y

Y

Q

Q

A

G

Y

A

E

V

A

A

F

F

K

K

I

I

W

W

N

T

G

G

F

V

Y

E

P

P

P

N

L

I

E

E

V

V

M

M

K

K

E

N

A

A

L

I

K

D

K

K

L

I

active site: K75 (= K65), D111 (= D98)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G135 (≠ A122), A139 (= A126), N157 (= N144), R158 (= R145), T159 (= T146), K162 (≠ R149), A200 (= A178), T201 (= T179), P202 (= P180), I203 (≠ L181), M205 (= M183), L229 (≠ M206), Y231 (= Y208), G252 (= G229), M255 (= M232), L256 (= L233)

3tozA 2.2 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with NAD.
33% identity, 96% coverage: 2:258/267 of query aligns to 14:290/291 of 3tozA

query
sites
3tozA

K

E

L

L

F

I

G

G

V

L

I

I

G

A

Y

T

P

P

I

I

K

R

H

H

S

S

L

L

S

S

P

P

D

T

M

M

F

H

N

N

A

E

V

A

F

F

K

A

R

K

L

L

K

G

L

L

D

D

A

Y

V

V

Y

Y

L

L

K

A

L

F

E

E

V

V

K

G

P

D

E

K

N

E

L

L

K

K

E

D

A

V

L

V

I

Q

G

G

A

F

K

R

A

A

L

M

G

N

F

L

V

R

G

G

L

W

N

N

V

V

T

S

I

M

P

P

F

N

K

K

E

T

R

N

V

I

L

H

Q

K

F

Y

V

L

-

D

K

K

A

L

R

S

G

P

V

A

A

A

E

E

K

L

I

V

K

G

A

A

V

V

N

N

T

T

V

V

K

V

L

N

E

D

-

G

-

V

M

L

E

T

G

G

Y

H

N

I

T

T

D

D

A

G

Y

T

G

G

V

Y

L

M

K

R

S

A

L

L

E

K

E

E

-

A

-

G

H

H

D

D

V

I

D

-

F

I

S

G

S

K

R

K

F

M

L

T

I

I

I

C

G
|
G

A
|
A

G
|
G

A
|
A

A

A

R

T

A

A

A

I

V

C

F

I

S

Q

L

A

V

A

E

L

R

D

G

G

-

V

S

K

E

E

V

I

Y

S

V

I

T

F

N
|
N

R
|
R

-

K

-
x
D

-

D

-
x
F

-

Y

-

A

-

N

T

A

E

E

E

K

R

T

G

V

E

E

K

K

L

I

A

N

K

S

E

K

A

T

G

D

C

C

-

K

-

A

H

Q

F

L

V

F

K

D

M

I

G

E

E

D

V

H

E

E

R

Q

M

L

R

R

F

K

D

E

-

I

-

A

-

E

-

S

-

V

V

I

L

F

I

T

N

N

A

A

T
|
T

P
x
G

L
x
V

G

G

M
|
M

V

K

G

P

M
x
F

E

E

-

G

R

E

A

T

L

L

P

L

V

P

K

S

E

A

D

D

V

M

I

L

K

R

R

P

A

E

S

L

V

I

V

V

F

S

D

D

M
x
V

V

V

Y
|
Y

N

K

P

P

A

T

E

K

T

T

L

R

F

L

I

L

K

E

K

I

A

A

K

E

E

E

F

Q

G

G

K

C

E

Q

V

T

I

L

Y

N

G
|
G

Y

L

E

G

M
|
M

L
x
M

L

L

Y

W

Q

Q

A

G

Y

A

E

K

A

A

F

F

K

E

I

I

W

W

N

T

G

H

F

K

Y

E

P

M

P

P

L

V

E

D

V

Y

M

I

K

K

E

E

A

I

L

L

binding nicotinamide-adenine-dinucleotide: G137 (= G121), A138 (= A122), G139 (= G123), G140 (= G124), A141 (= A125), N161 (= N144), R162 (= R145), D164 (vs. gap), F166 (vs. gap), T210 (= T179), G211 (≠ P180), V212 (≠ L181), M214 (= M183), F217 (≠ M186), V238 (≠ M206), Y240 (= Y208), G261 (= G229), M264 (= M232), M265 (≠ L233)

Q8Y9N5 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)
33% identity, 96% coverage: 2:258/267 of query aligns to 14:290/291 of Q8Y9N5

query
sites
Q8Y9N5

K

E

L

L

F

I

G

G

V

L

I

I

G

A

Y

T

P

P

I

I

K

R

H

H

S
|
S

L
|
L

S
|
S

P

P

D

T

M

M

F

H

N

N

A

E

V

A

F

F

K

A

R

K

L

L

K

G

L

L

D

D

A

Y

V

V

Y

Y

L

L

K

A

L

F

E

E

V

V

K

G

P

D

E

K

N

E

L

L

K

K

E

D

A

V

L

V

I

Q

G

G

A

F

K

R

A

A

L

M

G

N

F

L

V

R

G

G

L

W

N

N

V

V

T

S

I

M

P

P

F

N

K

K

E

T

R

N

V

I

L

H

Q

K

F

Y

V

L

-

D

K

K

A

L

R

S

G

P

V

A

A

A

E

E

K

L

I

V

K

G

A

A

V

V

N

N

T

T

V

V

K

V

L

N

E

D

-

G

-

V

M

L

E

T

G

G

Y

H

N

I

T

T

D

D

A

G

Y

T

G

G

V

Y

L

M

K

R

S

A

L

L

E

K

E

E

-

A

-

G

H

H

D

D

V

I

D

-

F

I

S

G

S

K

R

K

F

M

L

T

I

I

I

C

G

G

A

A

G

G

A

A

R

T

A

A

A

I

V

C

F

I

S

Q

L

A

V

A

E

L

R

D

G

G

-

V

S

K

E

E

V

I

Y

S

V

I

T

F

N
|
N

R
|
R

-
x
K

-
x
D

-

D

-

F

-

Y

-

A

-

N

T

A

E

E

E

K

R

T

G

V

E

E

K

K

L

I

A

N

K

S

E

K

A

T

G

D

C

C

-

K

-

A

H

Q

F

L

V

F

K

D

M

I

G

E

E

D

V

H

E

E

R

Q

M

L

R

R

F

K

D

E

-

I

-

A

-

E

-

S

-

V

V

I

L

F

I

T

N

N

A

A

T

T

P

G

L

V

G

G

M
|
M

V

K

G

P

M

F

E

E

-

G

R

E

A

T

L

L

P

L

V

P

K

S

E

A

D

D

V

M

I

L

K

R

R

P

A

E

S

L

V

I

V

V

F

S

D

D

M

V

V

V

Y

Y

N

K

P

P

A

T

E

K

T

T

L

R

F

L

I

L

K

E

K

I

A

A

K

E

E

E

F

Q

G

G

K

C

E

Q

V

T

I

L

Y

N

G

G

Y

L

E

G

M

M

L

M

L

L

Y

W

Q

Q

A

G

Y

A

E

K

A

A

F

F

K

E

I

I

W

W

N

T

G

H

F

K

Y

E

P

M

P

P

L

V

E

D

V

Y

M

I

K

K

E

E

A

I

L

L

SLS 26:28 (= SLS 14:16) binding shikimate
NRKD 161:164 (≠ NR-- 144:145) binding NAD(+)
M214 (= M183) binding NADP(+)

3tnlA 1.45 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with shikimate and NAD.
33% identity, 96% coverage: 2:258/267 of query aligns to 11:287/288 of 3tnlA

query
sites
3tnlA

K

E

L

L

F

I

G

G

V

L

I

I

G

A

Y

T

P

P

I

I

K

R

H

H

S
|
S

L

L

S
|
S

P

P

D

T

M

M

F

H

N

N

A

E

V

A

F

F

K

A

R

K

L

L

K

G

L

L

D

D

A

Y

V

V

Y

Y

L

L

K

A

L

F

E

E

V

V

K

G

P

D

E

K

N

E

L

L

K

K

E

D

A

V

L

V

I

Q

G

G

A

F

K

R

A

A

L

M

G

N

F

L

V

R

G

G

L

W

N
|
N

V

V

T
x
S

I
x
M

P

P

F

N

K
|
K

E

T

R

N

V

I

L

H

Q

K

F

Y

V

L

-

D

K

K

A

L

R

S

G

P

V

A

A

A

E

E

K

L

I

V

K

G

A

A

V

V

N
|
N

T

T

V

V

K

V

L

N

E

D

-

G

-

V

M

L

E

T

G

G

Y

H

N

I

T

T

D
|
D

A

G

Y

T

G

G

V

Y

L

M

K

R

S

A

L

L

E

K

E

E

-

A

-

G

H

H

D

D

V

I

D

-

F

I

S

G

S

K

R

K

F

M

L

T

I

I

I

C

G
|
G

A
|
A

G
|
G

A
|
A

A

A

R

T

A

A

A

I

V

C

F

I

S

Q

L

A

V

A

E

L

R

D

G

G

-

V

S

K

E

E

V

I

Y

S

V

I

T

F

N
|
N

R
|
R

-

K

-
x
D

-

D

-
x
F

-

Y

-

A

-

N

T

A

E

E

E

K

R

T

G

V

E

E

K

K

L

I

A

N

K

S

E

K

A

T

G

D

C

C

-

K

-

A

H

Q

F

L

V

F

K

D

M

I

G

E

E

D

V

H

E

E

R

Q

M

L

R

R

F

K

D

E

-

I

-

A

-

E

-

S

-

V

V

I

L

F

I

T

N

N

A

A

T
|
T

P

G

L
x
V

G

G

M
|
M

V

K

G

P

M
x
F

E

E

-

G

R

E

A

T

L

L

P

L

V

P

K

S

E

A

D

D

V

M

I

L

K

R

R

P

A

E

S

L

V

I

V

V

F

S

D

D

M
x
V

V

V

Y
|
Y

N

K

P

P

A

T

E

K

T

T

L

R

F

L

I

L

K

E

K

I

A

A

K

E

E

E

F

Q

G

G

K

C

E

Q

V

T

I

L

Y

N

G

G

Y

L

E

G

M
|
M

L
x
M

L

L

Y

W

Q
|
Q

A

G

Y

A

E

K

A

A

F

F

K

E

I

I

W

W

N

T

G

H

F

K

Y

E

P

M

P

P

L

V

E

D

V

Y

M

I

K

K

E

E

A

I

L

L

binding nicotinamide-adenine-dinucleotide: M71 (≠ I62), G134 (= G121), A135 (= A122), G136 (= G123), G137 (= G124), A138 (= A125), N158 (= N144), R159 (= R145), D161 (vs. gap), F163 (vs. gap), T207 (= T179), V209 (≠ L181), M211 (= M183), F214 (≠ M186), V235 (≠ M206), Y237 (= Y208), M261 (= M232), M262 (≠ L233)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S23 (= S14), S25 (= S16), N68 (= N59), S70 (≠ T61), K74 (= K65), N95 (= N85), D110 (= D98), Q265 (= Q236)

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
33% identity, 97% coverage: 4:262/267 of query aligns to 3:265/269 of Q5HNV1

query
sites
Q5HNV1

F

F

G

A

V

V

I

I

G

G

Y

N

P

P

I

I

K

S

H

H

S
|
S

L
|
L

S
|
S

P

P

D

L

M

M

F

H

N

H

A

A

V

N

F

F

K

Q

R

S

L

L

K

N

L

L

D

E

A

N

V

T

Y

Y

L

E

K

A

L

I

E

N

V

V

K

P

P

V

E

N

N

Q

L

F

K

Q

E

D

-

I

-

K

A

K

L

I

I

I

G

S

A

E

K

K

A

S

L

I

G

D

F

-

V

-

G

G

L

F

N

N

V

V

T
|
T

I

I

P

P

F

H

K

K

E

E

R

R

V

I

L

I

Q

P

F

Y

V

L

K

D

A

D

-

I

R

N

G

E

V

Q

A

A

E

K

K

S

I

V

K

G

A

A

V

V

N
|
N

T

T

V

V

K

L

L

V

E

K

E

D

M

G

E

K

-

W

-

I

G

G

Y

Y

N

N

T

T

D
|
D

A

G

Y

I

G

G

V

Y

L

V

K

N

S

G

L

L

E

K

E

Q

-

I

H

Y

D

E

V

G

D

I

F

E

S

D

S

A

R

Y

F

I

L

L

I

I

I

L

G

G

A

A

G

G

A

A

A

S

R

K

A

G

A

I

V

A

F

N

S

E

L

L

-

Y

-

K

V

I

E

V

R

R

G

P

S

T

E

-

V

L

Y

T

V

V

T

A

N

N

R

R

T

T

E

M

E

S

R

R

G

F

E

N

K

N

L

W

A

S

K

L

E

N

A

I

G

N

C

K

H

I

F

N

V

L

K

S

M

H

G

A

E

E

V

S

E

H

R

L

M

D

R

E

F

F

D

D

V

I

L

I

I

I

N

N

A

T

T

T

P

P

L

A

G

G

M

M

V

N

G

G

M

N

E

T

R

D

A

S

L

V

P

-

V

I

K

S

E

L

D

N

V

R

I

L

K

A

R

S

A

H

S

T

V

L

V

V

F

S

D

D

M

I

V

V

Y
|
Y

N

N

P

P

A

Y

E

K

T

T

L

P

F

I

I

L

K

I

K

E

A

A

K

E

E

Q

F

R

G

G

K

N

E

P

V

I

I

Y

Y

N

G

G

Y

L

E

D

M

M

L

F

L

V

Y

H

Q
|
Q

A

G

Y

A

E

E

A

S

F

F

K

K

I

I

W

W

N

T

G

N

F

L

Y

E

P

P

P

D

L

I

E

K

V

A

M

M

K

K

E

N

A

I

L

V

L

I

K

Q

K

K

L

L

SLS 13:15 (= SLS 14:16) binding shikimate
T60 (= T61) binding shikimate
N85 (= N85) binding shikimate
D100 (= D98) binding shikimate
Y211 (= Y208) 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 (= Q236) binding shikimate

2ev9B Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP(h) and shikimate (see paper)
38% identity, 99% coverage: 1:263/267 of query aligns to 1:262/263 of 2ev9B

query
sites
2ev9B

M

M

K

L

L

R

F

F

G

A

V

V

I

L

G

G

Y

H

P

P

I

V

K

A

H

H

S
|
S

L

L

S
|
S

P

P

D

A

M

M

F

H

N

A

A

F

V

A

F

L

K

E

R

S

L

L

K

G

L

L

D

E

A

G

V

S

Y

Y

-

E

-

A

-

W

-

D

L

T

K

P

L

L

E

E

V

A

K

L

P

P

E

G

N

R

L

L

K

K

E

E

A

V

L

-

I

-

G

-

A

-

K

-

A

R

L

R

G

A

F

F

V

R

G

G

L

V

N
|
N

V

L

T
|
T

I

L

P

P

F

L

K
|
K

E

E

R

A

V

A

L

L

Q

A

F

H

V

L

K

D

-

W

A

V

R

S

G

P

V

E

A

A

E

Q

K

R

I

I

K

G

A

A

V

V

N
|
N

T

T

V

V

K

L

L

Q

E

V

E

E

-

G

-

R

M

L

E

F

G

G

Y

F

N

N

T

T

D
|
D

A

A

Y

P

G

G

V

F

L

L

K

E

S

A

L

L

E

K

E

A

H

G

D

G

V

I

D

P

F

L

S

K

S

G

R

P

F

A

L

L

I

V

I

L

G

G

A

A

G

G

A

A

A

G

R

R

A

A

A

V

V

A

F

F

S

A

L

L

V

R

E

E

R

A

G

G

S

L

E

E

V

V

Y

W

V

V

T

W

N

N

R

R

T

T

E

P

E

Q

R

R

G

A

E

L

K

A

L

L

A

A

K

E

E

E

A

F

G

G

C

L

H

R

F

A

V

V

K

P

M

L

G

E

E

K

V

A

E

R

R

E

M

A

R

R

F

-

D

-

V

L

L

L

I

V

N

N

A

A

T

T

P

-

L

-

G

-

M

R

V

V

G

G

M

L

E

E

-

D

-

P

R

S

A

A

L

S

P

P

V

L

K

P

E

A

D

E

V

L

I

F

K

P

R

E

A

E

S

G

V

A

F

V

D

D

M

L

V

V

Y

Y

N

R

P

P

A

L

E

W

T

T

L

R

F

F

I

L

K

R

K

E

A

A

K

K

E

A

F

K

G

G

K

L

E

K

V

V

I

Q

Y

T

G

G

Y

L

E

P

M

M

L

L

L

A

Y

W

Q
|
Q

A

G

Y

A

E

L

A

A

F

F

K

R

I

L

W

W

N

T

G

G

F

L

Y

L

P

P

P

D

L

P

E

S

V

G

M

M

K

E

E

E

A

A

L

A

L

R

K

R

K

A

L

L

G

G

active site: K64 (= K65), D100 (= D98)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S14), S16 (= S16), N58 (= N59), T60 (= T61), K64 (= K65), N85 (= N85), D100 (= D98), Q235 (= Q236)

Q5SJF8 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8) (see paper)
38% identity, 99% coverage: 1:263/267 of query aligns to 1:262/263 of Q5SJF8

query
sites
Q5SJF8

M

M

K

L

L

R

F

F

G

A

V

V

I

L

G

G

Y

H

P

P

I

V

K

A

H

H

S
|
S

L
|
L

S
|
S

P

P

D

A

M

M

F

H

N

A

A

F

V

A

F

L

K

E

R

S

L

L

K

G

L

L

D

E

A

G

V

S

Y

Y

-

E

-

A

-

W

-

D

L

T

K

P

L

L

E

E

V

A

K

L

P

P

E

G

N

R

L

L

K

K

E

E

A

V

L

-

I

-

G

-

A

-

K

-

A

R

L

R

G

A

F

F

V

R

G

G

L

V

N

N

V

L

T
|
T

I

L

P

P

F

L

K
|
K

E

E

R

A

V

A

L

L

Q

A

F

H

V

L

K

D

-

W

A

V

R

S

G

P

V

E

A

A

E

Q

K

R

I

I

K

G

A

A

V

V

N
|
N

T

T

V

V

K

L

L

Q

E

V

E

E

-

G

-

R

M

L

E

F

G

G

Y

F

N

N

T

T

D
|
D

A

A

Y

P

G

G

V

F

L

L

K

E

S

A

L

L

E

K

E

A

H

G

D

G

V

I

D

P

F

L

S

K

S

G

R

P

F

A

L

L

I

V

I

L

G
|
G

A
|
A

G
|
G

A
|
A

A

G

R

R

A

A

A

V

V

A

F

F

S

A

L

L

V

R

E

E

R

A

G

G

S

L

E

E

V

V

Y

W

V

V

T

W

N
|
N

R
|
R

T
|
T

E
x
P

E
x
Q

R
|
R

G

A

E

L

K

A

L

L

A

A

K

E

E

E

A

F

G

G

C

L

H

R

F

A

V

V

K

P

M

L

G

E

E

K

V

A

E

R

R

E

M

A

R

R

F

-

D

-

V

L

L

L

I

V

N

N

A

A

T

T

P

-

L

-

G

-

M

R

V

V

G

G

M

L

E

E

-

D

-

P

R

S

A

A

L

S

P

P

V

L

K

P

E

A

D

E

V

L

I

F

K

P

R

E

A

E

S

G

V

A

F

V

D

D

M
x
L

V

V

Y
|
Y

N

R

P

P

A

L

E

W

T

T

L

R

F

F

I

L

K

R

K

E

A

A

K

K

E

A

F

K

G

G

K

L

E

K

V

V

I

Q

Y

T

G
|
G

Y

L

E

P

M

M

L

L

L

A

Y

W

Q
|
Q

A

G

Y

A

E

L

A

A

F

F

K

R

I

L

W

W

N

T

G

G

F

L

Y

L

P

P

P

D

L

P

E

S

V

G

M

M

K

E

E

E

A

A

L

A

L

R

K

R

K

A

L

L

G

G

SLS 14:16 (= SLS 14:16) binding shikimate
T60 (= T61) binding shikimate
K64 (= K65) active site, Proton acceptor
N85 (= N85) binding shikimate
D100 (= D98) binding shikimate
GAGGA 123:127 (= GAGGA 121:125) binding NADP(+)
NRTPQR 146:151 (≠ NRTEER 144:149) binding NADP(+)
L205 (≠ M206) binding NADP(+)
Y207 (= Y208) binding shikimate
G228 (= G229) binding NADP(+)
Q235 (= Q236) binding shikimate

2cy0A Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP (see paper)
38% identity, 99% coverage: 1:263/267 of query aligns to 1:262/262 of 2cy0A

query
sites
2cy0A

M

M

K

L

L

R

F

F

G

A

V

V

I

L

G

G

Y

H

P

P

I

V

K

A

H

H

S

S

L

L

S

S

P

P

D

A

M

M

F

H

N

A

A

F

V

A

F

L

K

E

R

S

L

L

K

G

L

L

D

E

A

G

V

S

Y

Y

-

E

-

A

-

W

-

D

L

T

K

P

L

L

E

E

V

A

K

L

P

P

E

G

N

R

L

L

K

K

E

E

A

V

L

-

I

-

G

-

A

-

K

-

A

R

L

R

G

A

F

F

V

R

G

G

L

V

N

N

V

L

T

T

I

L

P

P

F

L

K
|
K

E

E

R

A

V

A

L

L

Q

A

F

H

V

L

K

D

-

W

A

V

R

S

G

P

V

E

A

A

E

Q

K

R

I

I

K

G

A

A

V

V

N

N

T

T

V

V

K

L

L

Q

E

V

E

E

-

G

-

R

M

L

E

F

G

G

Y

F

N

N

T

T

D
|
D

A

A

Y

P

G

G

V

F

L

L

K

E

S

A

L

L

E

K

E

A

H

G

D

G

V

I

D

P

F

L

S

K

S

G

R

P

F

A

L

L

I

V

I

L

G
|
G

A

A

G

G

G
|
G

A
|
A

A

G

R

R

A

A

A

V

V

A

F

F

S

A

L

L

V

R

E

E

R

A

G

G

S

L

E

E

V

V

Y

W

V

V

T

W

N
|
N

R
|
R

T
|
T

E

P

E

Q

R
|
R

G

A

E

L

K

A

L

L

A

A

K

E

E

E

A

F

G

G

C

L

H

R

F

A

V

V

K

P

M

L

G

E

E

K

V

A

E

R

R

E

M

A

R

R

F

-

D

-

V

L

L

L

I

V

N

N

A

A

T
|
T

P

-

L

-

G

-

M
x
R

V
|
V

G

G

M

L

E

E

-

D

-

P

R

S

A

A

L

S

P

P

V

L

K

P

E

A

D

E

V

L

I

F

K

P

R

E

A

E

S

G

V

A

F

V

D

D

M
x
L

V

V

Y

Y

N

R

P

P

A

L

E

W

T

T

L

R

F

F

I

L

K

R

K

E

A

A

K

K

E

A

F

K

G

G

K

L

E

K

V

V

I

Q

Y

T

G

G

Y

L

E

P

M

M

L
|
L

L

A

Y

W

Q

Q

A

G

Y

A

E

L

A

A

F

F

K

R

I

L

W

W

N

T

G

G

F

L

Y

L

P

P

P

D

L

P

E

S

V

G

M

M

K

E

E

E

A

A

L

A

L

R

K

R

K

A

L

L

G

G

active site: K64 (= K65), D100 (= D98)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G123 (= G121), G126 (= G124), A127 (= A125), N146 (= N144), R147 (= R145), T148 (= T146), R151 (= R149), T179 (= T179), R180 (≠ M183), V181 (= V184), L205 (≠ M206), L232 (= L233)

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
32% identity, 97% coverage: 4:262/267 of query aligns to 3:256/258 of 3dooA

query
sites
3dooA

F

F

G

A

V

V

I

I

G

G

Y

N

P

P

I

I

K

S

H

H

S
|
S

L

L

S
|
S

P

P

D

L

M

M

F

H

N

H

A

A

V

N

F

F

K

Q

R

S

L

L

K

N

L

L

D

E

A

N

V

T

Y

Y

L

E

K

A

L

I

E

N

V

V

K

P

P

V

E

N

N

Q

L

F

K

Q

E

D

-

I

-

K

A

K

L

I

I

I

G

S

A

E

K

K

A

S

L

I

G

D

F

-

V

-

G

G

L

F

N
|
N

V

V

T
|
T

I

I

P

P

F

H

K
|
K

E

E

R

R

V

I

L

I

Q

P

F

Y

V

L

K

D

A

D

-

I

R

N

G

E

V

Q

A

A

E

K

K

S

I

V

K

G

A

A

V

V

N
|
N

T

T

V

V

K

L

L

V

E

K

E

D

M

G

E

K

-

W

-

I

G

G

Y

Y

N

N

T

T

D
|
D

A

G

Y

I

G

G

V

Y

L

V

K

N

S

G

L

L

E

K

E

Q

-

I

H

Y

D

E

V

G

D

I

F

E

S

D

S

A

R

Y

F

I

L

L

I

I

I

L

G

G

A

A

G

G

A

A

A

S

R

K

A

G

A

I

V

A

F

N

S

E

L

L

-

Y

-

K

V

I

E

V

R

R

G

P

S

T

E

-

V

L

Y

T

V

V

T

A

N

N

R

R

T

T

E

M

E

S

R

R

G

F

E

N

K

N

L

W

A

S

K

L

E

N

A

I

G

N

C

K

H

I

F

N

V

L

K

S

M

H

G

A

E

E

V

S

E

H

R

L

M

D

R

E

F

F

D

D

V

I

L

I

I

I

N

N

A

T

T

T

P

P

L

V

G

-

M

-

V

I

G

S

M

L

E

N

R

R

A

-

L

-

P

-

V

-

K

-

E

-

D

-

V

-

I

L

K

A

R

S

A

H

S

T

V

L

V

V

F

S

D

D

M

I

V

V

Y

Y

N

N

P

P

A

Y

E

K

T

T

L

P

F

I

I

L

K

I

K

E

A

A

K

E

E

Q

F

R

G

G

K

N

E

P

V

I

I

Y

Y

N

G

G

Y

L

E

D

M

M

L
x
F

L

V

Y

H

Q
|
Q

A

G

Y

A

E

E

A

S

F

F

K

K

I

I

W

W

N

T

G

N

F

L

Y

E

P

P

P

D

L

I

E

K

V

A

M

M

K

K

E

N

A

I

L

V

L

I

K

Q

K

K

L

L

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S13 (= S14), S15 (= S16), N58 (= N59), T60 (= T61), K64 (= K65), N85 (= N85), D100 (= D98), F227 (≠ L233), Q230 (= Q236)

1npdB X-ray structure of shikimate dehydrogenase complexed with NAD+ from e.Coli (ydib) northeast structural genomics research consortium (nesg) target er24 (see paper)
30% identity, 96% coverage: 2:258/267 of query aligns to 8:284/288 of 1npdB

query
sites
1npdB

K

E

L

L

F

I

G

G

V

L

I

M

G

A

Y

Y

P

P

I

I

K

R

H

H

S

S

L

L

S

S

P

P

D

E

M

M

F

Q

N

N

A

K

V

A

F

L

K

E

R

K

L

A

K

G

L

L

D

P

A

F

V

T

Y

Y

L

M

K

A

L

F

E

E

V

V

K

D

P

N

E

D

N

S

L

F

K

P

E

G

A

A

L

I

I

E

G

G

A

L

K

K

A

A

L

L

G

K

F

M

V

R

G

G

L

T

N

G

V

V

T

S

I

M

P

P

F

N

K

K

E

Q

R

L

V

A

L

C

Q

E

F

Y

V

V

K

D

A

E

R

L

G

T

V

P

A

A

E

A

K

K

-

L

I

V

K

G

A

A

V

I

N

N

T

T

V

I

K

V

L

N

E

D

-

G

-

Y

M

L

E

R

G

G

Y

Y

N

N

T

T

D

D

A

G

Y

T

G

G

V

H

L

I

K

R

S

A

L

I

E

K

E

E

H

S

D

G

V

F

D

D

F

I

S

K

S

G

R

K

F

T

L

M

I

V

-

L

I

L

G

G

A
|
A

G
|
G

A
|
A

A

S

R

T

A

A

-

I

A

G

V

A

F

Q

S

G

L

A

V

I

E

E

R

G

G

L

S

K

E

E

V

I

Y

K

V

L

T

F

N
|
N

R
|
R

T

R

E
x
D

E

E

-
x
F

-

F

-

D

-

K

-

A

-

L

-

A

R

F

G

A

E

Q

K

R

L

V

A

N

K

E

E

N

A

T

G

D

C

C

H

V

F

V

V

T

K

V

M

T

G

D

E

L

V

A

E

D

R

Q

M

Q

R

A

F

F

-

A

-

E

-

A

-

L

-

A

-

S

-

A

D

D

V

I

L

L

I

T

N

N

A

G

T
|
T

P
x
K

L
x
V

G

G

M
|
M

V

K

G

P

M

L

E

E

R

N

A

E

L

S

P

L

V

V

K

N

E

D

-

I

D

S

V

L

I

L

K

H

R

P

A

G

S

L

V

L

V

V

F

T

D

E

M
x
C

V

V

Y

Y

N

N

P

P

A

H

E

M

T

T

L

K

F

L

I

L

K

Q

A

A

K

Q

E

Q

F

A

G

G

K

C

E

K

V

T

I

I

Y

D

G

G

Y

Y

E

G

M
|
M

L
|
L

L

L

Y

W

Q

Q

A

G

Y

A

E

E

A

Q

F

F

K

T

I

L

W

W

N

T

G

G

F

K

Y

D

P

F

P

P

L

L

E

E

V

Y

M

V

K

K

E

Q

A

V

L

M

binding nicotinamide-adenine-dinucleotide: A132 (= A122), G133 (= G123), G134 (= G124), A135 (= A125), N155 (= N144), R156 (= R145), D158 (≠ E147), F160 (vs. gap), T204 (= T179), K205 (≠ P180), V206 (≠ L181), M208 (= M183), C232 (≠ M206), M258 (= M232), L259 (= L233)

P0A6D5 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Escherichia coli (strain K12) (see 4 papers)
30% identity, 96% coverage: 2:258/267 of query aligns to 8:284/288 of P0A6D5

query
sites
P0A6D5

K

E

L

L

F

I

G

G

V

L

I

M

G

A

Y

Y

P

P

I

I

K

R

H

H

S

S

L

L

S
|
S

P

P

D

E

M

M

F

Q

N

N

A

K

V

A

F

L

K

E

R

K

L

A

K

G

L

L

D

P

A

F

V

T

Y
|
Y

L

M

K

A

L

F

E

E

V

V

K

D

P

N

E

D

N

S

L

F

K

P

E

G

A

A

L

I

I

E

G

G

A

L

K

K

A

A

L

L

G

K

F

M

V

R

G

G

L

T

N

G

V

V

T
x
S

I

M

P

P

F

N

K
|
K

E

Q

R

L

V

A

L

C

Q

E

F

Y

V

V

K

D

A

E

R

L

G

T

V

P

A

A

E

A

K

K

-

L

I

V

K

G

A

A

V

I

N
|
N

T

T

V

I

K

V

L

N

E

D

-

G

-

Y

M

L

E

R

G

G

Y

Y

N

N

T
|
T

D
|
D

A

G

Y

T

G

G

V

H

L

I

K

R

S

A

L

I

E

K

E

E

H

S

D

G

V

F

D

D

F

I

S

K

S

G

R

K

F

T

L

M

I

V

-

L

I

L

G

G

A
|
A

G
|
G

A
|
A

A

S

R

T

A

A

-

I

A

G

V

A

F

Q

S

G

L

A

V

I

E

E

R

G

G

L

S

K

E

E

V

I

Y

K

V

L

T

F

N
|
N

R
|
R

T
x
R

E
x
D

E

E

-

F

-

D

-

K

-

A

-

L

-

A

R

F

G

A

E

Q

K

R

L

V

A

N

K

E

E

N

A

T

G

D

C

C

H

V

F

V

V

T

K

V

M

T

G

D

E

L

V

A

E

D

R

Q

M

Q

R

A

F

F

-

A

-

E

-

A

-

L

-

A

-

S

-

A

D

D

V

I

L

L

I

T

N

N

A

G

T

T

P
x
K

L

V

G

G

M

M

V

K

G

P

M

L

E

E

R

N

A

E

L

S

P

L

V

V

K

N

E

D

-

I

D

S

V

L

I

L

K

H

R

P

A

G

S

L

V

L

V

V

F

T

D

E

M
x
C

V
|
V

Y
|
Y

N
|
N

P

P

A

H

E

M

T

T

L

K

F

L

I

L

K

Q

A

A

K

Q

E

Q

F

A

G

G

K

C

E

K

V

T

I

I

Y

D

G
|
G

Y

Y

E

G

M

M

L

L

Y

W

Q
|
Q

A

G

Y

A

E

E

A

Q

F

F

K

T

I

L

W

W

N

T

G

G

F

K

Y

D

P

F

P

P

L

L

E

E

V

Y

M

V

K

K

E

Q

A

V

L

M

S22 (= S16) mutation to A: Kinetically unchanged as compared with the wild-type.
Y39 (= Y33) mutation to F: Kinetically unchanged as compared with the wild-type.
S67 (≠ T61) mutation to A: Reduces activity towards quinate about 6-fold, but has a little effect on shikimate conversion.
K71 (= K65) 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 (= N85) mutation to A: Alters protein structure. Loss of activity for both substrates.
T106 (= T97) 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 (= D98) mutation to A: Loss of activity towards quinate. 20000-fold decrease in the affinity for shikimate.
AGGA 132:135 (= AGGA 122:125) binding NAD(+)
NRRD 155:158 (≠ NRTE 144:147) binding NAD(+)
K205 (≠ P180) binding NAD(+)
CVYN 232:235 (≠ MVYN 206:209) binding NAD(+)
G255 (= G229) binding NAD(+)
Q262 (= Q236) 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)
30% identity, 96% coverage: 2:258/267 of query aligns to 2:278/280 of 1o9bA

query
sites
1o9bA

K

E

L

L

F

I

G

G

V

L

I

M

G

A

Y

Y

P

P

I

I

K

R

H

H

S

S

L

L

S

S

P

P

D

E

M

M

F

Q

N

N

A

K

V

A

F

L

K

E

R

K

L

A

K

G

L

L

D

P

A

F

V

T

Y

Y

L

M

K

A

L

F

E

E

V

V

K

D

P

N

E

D

N

S

L

F

K

P

E

G

A

A

L

I

I

E

G

G

A

L

K

K

A

A

L

L

G

K

F

M

V

R

G

G

L

T

N

G

V

V

T

S

I

M

P

P

F

N

K

K

E

Q

R

L

V

A

L

C

Q

E

F

Y

V

V

K

D

A

E

R

L

G

T

V

P

A

A

E

A

K

K

-

L

I

V

K

G

A

A

V

I

N

N

T

T

V

I

K

V

L

N

E

D

-

G

-

Y

M

L

E

R

G

G

Y

Y

N

N

T

T

D

D

A

G

Y

T

G

G

V

H

L

I

K

R

S

A

L

I

E

K

E

E

H

S

D

G

V

F

D

D

F

I

S

K

S

G

R

K

F

T

L

M

I

V

-

L

I

L

G

G

A
|
A

G
|
G

A
|
A

A

S

R

T

A

A

-

I

A

G

V

A

F

Q

S

G

L

A

V

I

E

E

R

G

G

L

S

K

E

E

V

I

Y

K

V

L

T

F

N

N

R
|
R

T

R

E

D

E

E

-
x
F

-

F

-

D

-

K

-

A

-

L

-

A

R

F

G

A

E

Q

K

R

L

V

A

N

K

E

E

N

A

T

G

D

C

C

H

V

F

V

V

T

K

V

M

T

G

D

E

L

V

A

E

D

R

Q

M

Q

R

A

F

F

-

A

-

E

-

A

-

L

-

A

-

S

-

A

D

D

V

I

L

L

I

T

N

N

A

G

T

T

P
x
K

L
x
V

G

G

M
|
M

V

K

G

P

M

L

E

E

R

N

A

E

L

S

P

L

V

V

K

N

E

D

-

I

D

S

V

L

I

L

K

H

R

P

A

G

S

L

V

L

V

V

F

T

D

E

M
x
C

V

V

Y
|
Y

N

N

P

P

A

H

E

M

T

T

L

K

F

L

I

L

K

Q

A

A

K

Q

E

Q

F

A

G

G

K

C

E

K

V

T

I

I

Y

D

G

G

Y

Y

E

G

M
|
M

L
|
L

L

L

Y

W

Q

Q

A

G

Y

A

E

E

A

Q

F

F

K

T

I

L

W

W

N

T

G

G

F

K

Y

D

P

F

P

P

L

L

E

E

V

Y

M

V

K

K

E

Q

A

V

L

M

binding 1,4-dihydronicotinamide adenine dinucleotide: A126 (= A122), G127 (= G123), G128 (= G124), A129 (= A125), R150 (= R145), F154 (vs. gap), K199 (≠ P180), V200 (≠ L181), M202 (= M183), C226 (≠ M206), Y228 (= Y208), M252 (= M232), L253 (= L233)

Q9SQT8 Bifunctional 3-dehydroquinate dehydratase/shikimate dehydrogenase, chloroplastic; DHQ-SDH protein; DHQase-SORase; Protein EMBRYO DEFECTIVE 3004; EC 4.2.1.10; EC 1.1.1.25 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
33% identity, 97% coverage: 2:260/267 of query aligns to 324:602/603 of Q9SQT8

query
sites
Q9SQT8

K

K

L

V

F

Y

G

G

V

I

I

I

G

G

Y

K

P

P

I

V

K

S

H

H

S
|
S

L

K

S
|
S

P

P

D

I

M

V

F

H

N

N

A

Q

V

A

F

F

K

K

R

S

L

V

K

D

L

F

D

N

A

G

V

V

Y

Y

L

V

K

H

L

L

E

L

V

V

K

-

P

-

E

D

N

N

L

L

K

V

E

S

A

F

L

L

I

Q

G

A

A

Y

K

S

A

S

L

S

G

D

F

F

V

A

G

G

L

F

N

S

V

C

T
|
T

I

I

P

P

F

H

K
|
K

E

E

R

A

V

A

L

L

Q

Q

F

C

V

C

-

D

K

E

A

V

R

D

G

P

V

L

A

A

E

K

K

S

I

I

K

G

A

A

V

V

N
|
N

T

T

V

I

K

L

L

R

E

R

E

K

M

S

E

D

G

G

-

K

-

L

-

G

Y

Y

N

N

T

T

D
|
D

A

C

Y

I

G

G

V

S

L

I

K

S

S

A

L

I

E

E

E

D

-

G

-

L

-

R

-

S

-

G

-

D

-

P

-

S

-

V

-

P

-

S

H

S

D

S

V

P

D

L

F

A

S

S

S

K

R

T

F

V

L

V

I

V

I

I

G

G

A
|
A

G

G

G
|
G

A
|
A

A

G

R

K

A

A

A

L

V

A

F

Y

S

G

L

A

V

K

E

E

R

K

G

G

S

A

E

K

V

V

Y

V

V

I

T

A

N
|
N

R

R

T
|
T

E

Y

E

E

R
|
R

G

A

E

L

K

E

L

L

A

A

K

E

E

A

A

I

G

G

C

G

H

K

F

A

V

L

K

S

M

L

G

T

E

D

V

L

E

D

R

N

M

Y

R

H

F

P

D

E

-

D

-

G

-

M

V

V

L

L

I

A

N

N

A

T

T

T

P

S

L

M

G

G

M
|
M

V

Q

G

P

M

N

E

V

R

E

A

E

L

T

P

P

V

I

K

S

E

K

D

D

V

A

I

L

K

K

R

H

A

Y

S

A

V

L

V

V

F

F

D

D

M
x
A

V

V

Y
|
Y

N

T

P

P

A

R

E

I

T

T

L

R

F

L

I

L

K

R

K

E

A

A

K

E

E

E

F

S

G

G

K

A

E

I

V

T

I

V

Y

S

G
|
G

Y

S

E

E

M

M

L

F

L

V

Y

R

Q
|
Q

A

A

Y

Y

E

E

A
x
Q

F

F

K

E

I

I

W

F

N

T

G

G

F

L

Y

P

P

A

P

P

L

K

E

E

V

L

M

Y

K

W

E

Q

A

I

L

M

L

S

K

K

S336 (= S14) binding shikimate; mutation to A: 13-fold decrease in substrate affinity but almost no change in activity.
S338 (= S16) binding shikimate; mutation to A: 10-fold decrease in activity, and 9-fold decrease in substrate affinity.
T381 (= T61) binding shikimate
K385 (= K65) binding shikimate; mutation to A: Strongly reduced shikimate dehydrogenase activity, but minor change in substrate affinity.; mutation to N: Strongly reduced shikimate dehydrogenase activity, but no change in substrate affinity.
N406 (= N85) binding shikimate
D423 (= D98) binding shikimate; mutation to A: Loss of shikimate dehydrogenase activity.; mutation to N: Reduced shikimate dehydrogenase activity, but no change in substrate affinity.
A461 (= A122) binding NADP(+)
G463 (= G124) binding NADP(+)
A464 (= A125) binding NADP(+)
N483 (= N144) binding NADP(+)
T485 (= T146) binding NADP(+)
R488 (= R149) binding NADP(+)
M525 (= M183) binding NADP(+)
A548 (≠ M206) binding NADP(+)
Y550 (= Y208) binding shikimate; mutation Y->F,A: 100-fold decrease in activity, and 2-fold decrease in substrate affinity.
G571 (= G229) binding NADP(+)
Q578 (= Q236) binding shikimate
Q582 (≠ A240) binding shikimate

Sites not aligning to the query:

124 binding 3-dehydroshikimate
126 binding 3-dehydroshikimate
155 binding 3-dehydroshikimate
241 binding 3-dehydroshikimate
279 binding 3-dehydroshikimate
300 binding 3-dehydroshikimate
304 binding 3-dehydroshikimate

2gptA Crystal structure of arabidopsis dehydroquinate dehydratase-shikimate dehydrogenase in complex with tartrate and shikimate (see paper)
34% identity, 97% coverage: 2:260/267 of query aligns to 235:488/498 of 2gptA

query
sites
2gptA

K

K

L

V

F

Y

G

G

V
x
I

I

I

G

G

Y

K

P

P

I

V

K

S

H

H

S
|
S

L

K

S
|
S

P

P

D

I

M

V

F

H

N

N

A

Q

V

A

F

F

K

K

R

S

L

V

K

D

L

F

D

N

A

G

V

V

Y

Y

L

V

K

H

L

L

E

L

V

V

K

-

P

-

E

D

N

N

L

L

K

V

E

S

A

F

L

L

I

Q

G

A

A

Y

K

S

A

S

L

S

G

D

F

F

V

A

G

G

L

F

N

S

V

C

T
|
T

I

I

P

P

F

H

K
|
K

E

E

R

A

V

A

L

L

Q

Q

F

C

V

C

-

D

K

E

A

V

R

D

G

P

V

L

A

A

E

K

K

S

I

I

K

G

A

A

V

V

N
|
N

T

T

V

I

K

L

L

R

E

R

E

K

M

S

E

D

G

G

-

K

-

L

-

G

Y

Y

N

N

T

T

D
|
D

A

C

Y

I

G

G

V

S

L

I

K

S

S

A

L

I

E

E

E

D

H

-

D

-

V

-

D

-

F

-

S

G

S

L

R

T

F

V

L

V

I

V

I

I

G

G

A

A

G

G

A

A

A

G

R

K

A

A

A

L

V

A

F

Y

S

G

L

A

V

K

E

E

R

K

G

G

S

A

E

K

V

V

Y

V

V

I

T

A

N

N

R

R

T

T

E

Y

E

E

R

R

G

-

E

-

K

E

L

L

A

A

K

E

E

A

A

I

G

G

C

A

H

-

F

-

V

L

K

S

M

L

G

T

E

D

V

L

E

D

R

N

M

Y

R

E

F

D

D

G

-

M

V

V

L

L

I

A

N

N

A

T

T

T

P

S

L

M

G

G

M

M

V

Q

G

P

M

N

E

V

R

E

A

E

L

T

P

P

V

I

K

S

E

K

D

D

V

A

I

L

K

K

R

H

A

Y

S

A

V

L

V

V

F

F

D

D

M

A

V

V

Y
|
Y

N

T

P

P

A

R

E

I

T

T

L

R

F

L

I

L

K

R

K

E

A

A

K

E

E

E

F

S

G

G

K

A

E

I

V

T

I

V

Y

S

G

G

Y

S

E

E

M

M

L

F

L

V

Y

R

Q
|
Q

A

A

Y

Y

E

E

A
x
Q

F

F

K

E

I

I

W

F

N

T

G

G

F

L

Y

P

P

A

P

P

L

K

E

E

V

L

M

Y

K

W

E

Q

A

I

L

M

L

S

K

K

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: I239 (≠ V6), S247 (= S14), S249 (= S16), T292 (= T61), K296 (= K65), N317 (= N85), D334 (= D98), Y436 (= Y208), Q464 (= Q236), Q468 (≠ A240)

Sites not aligning to the query:

active site: 70, 125, 152

2o7qA Crystal structure of the a. Thaliana dhq-dehydroshikimate-sdh- shikimate-NADP(h)
32% identity, 97% coverage: 2:260/267 of query aligns to 235:491/501 of 2o7qA

query
sites
2o7qA

K

K

L

V

F

Y

G

G

V
x
I

I

I

G

G

Y

K

P

P

I

V

K

S

H

H

S
|
S

L

K

S
|
S

P

P

D

I

M

V

F

H

N

N

A

Q

V

A

F

F

K

K

R

S

L

V

K

D

L

F

D

N

A

G

V

V

Y

Y

L

V

K

H

L

L

E

L

V

V

K

-

P

-

E

D

N

N

L

L

K

V

E

S

A

F

L

L

I

Q

G

A

A

Y

K

S

A

S

L

S

G

D

F

F

V

A

G

G

L

F

N

S

V

C

T
|
T

I

I

P

P

F

H

K
|
K

E

E

R

A

V

A

L

L

Q

Q

F

C

V

C

-

D

K

E

A

V

R

D

G

P

V

L

A

A

E

K

K

S

I

I

K

G

A

A

V

V

N

N

T

T

V

I

K

L

L

R

E

R

E

K

M

S

E

D

G

G

-

K

-

L

-

G

Y

Y

N

N

T

T

D
|
D

A

C

Y

I

G

G

V

S

L

I

K

S

S

A

L

I

E

E

E

D

H

-

D

-

V

-

D

-

F

-

S

-

S

G

R

L

F

T

L

V

I

V

G

I

A

G

G

A

G

G

A

G

A

A

R

G

A

K

A

A

V

L

F

A

S

Y

L

G

V

A

E

K

R

E

G

K

S

A

E

K

V

V

Y

V

V

I

T

A

N

N

R

R

T

T

E

Y

E

E

R

R

G

A

E

L

K

E

L

L

A

A

K

E

E

A

A

I

G

G

C

G

H

K

F

A

V

L

K

S

M

L

G

T

E

D

V

L

E

D

R

N

M

Y

R

E

F

D

D

G

-

M

V

V

L

L

I

A

N

N

A

T

T

T

P

S

L

M

G

G

M

M

V

Q

G

P

M

N

E

V

R

E

A

E

L

T

P

P

V

I

K

S

E

K

D

D

V

A

I

L

K

K

R

H

A

Y

S

A

V

L

V

V

F

F

D

D

M

A

V

V

Y
|
Y

N

T

P

P

A

R

E

I

T

T

L

R

F

L

I

L

K

R

K

E

A

A

K

E

E

E

F

S

G

G

K

A

E

I

V

T

I

V

Y

S

G

G

Y

S

E

E

M

M

L
x
F

L

V

Y

R

Q
|
Q

A

A

Y

Y

E

E

A
x
Q

F

F

K

E

I

I

W

F

N

T

G

G

F

L

Y

P

P

A

P

P

L

K

E

E

V

L

M

Y

K

W

E

Q

A

I

L

M

L

S

K

K

binding 3-dehydroshikimate: I239 (≠ V6), S247 (= S14), S249 (= S16), T292 (= T61), K296 (= K65), D334 (= D98), Y439 (= Y208), F464 (≠ L233), Q467 (= Q236), Q471 (≠ A240)

Sites not aligning to the query:

active site: 70, 125, 152
binding 3-dehydroshikimate: 35, 152, 190, 202, 211, 212, 215

Query Sequence

>WP_012965409.1 NCBI__GCF_000025505.1:WP_012965409.1
MKLFGVIGYPIKHSLSPDMFNAVFKRLKLDAVYLKLEVKPENLKEALIGAKALGFVGLNV
TIPFKERVLQFVKARGVAEKIKAVNTVKLEEMEGYNTDAYGVLKSLEEHDVDFSSRFLII
GAGGAARAAVFSLVERGSEVYVTNRTEERGEKLAKEAGCHFVKMGEVERMRFDVLINATP
LGMVGMERALPVKEDVIKRASVVFDMVYNPAETLFIKKAKEFGKEVIYGYEMLLYQAYEA
FKIWNGFYPPLEVMKEALLKKLGFYPE

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