SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_014026339.1 NCBI__GCF_000223395.1:WP_014026339.1 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)

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
39% identity, 89% coverage: 1:260/291 of query aligns to 1:252/267 of 2hk9B

query
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2hk9B

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binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (≠ I66), G130 (= G127), G133 (= G130), A134 (= A131), N153 (= N151), R154 (= R152), T155 (= T153), K158 (≠ R156), T188 (= T193), S189 (≠ P194), V190 (≠ L195), I214 (≠ A220), M238 (= M246), L239 (= L247)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S19), S21 (= S21), N64 (= N63), T66 (= T65), K70 (= K69), N91 (= N90), D106 (= D105), Y216 (= Y222), L239 (= L247), Q242 (= Q250)

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
39% identity, 89% coverage: 1:260/291 of query aligns to 1:252/269 of O67049

query
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O67049

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SLS 19:21 (= SLS 19:21) binding shikimate
D82 (≠ S81) binding NADP(+)
N91 (= N90) binding shikimate
D106 (= D105) binding shikimate
GAGGA 130:134 (= GAGGA 127:131) binding NADP(+)
I214 (≠ A220) binding NADP(+)
Y216 (= Y222) binding shikimate
G235 (= G243) binding NADP(+)
Q242 (= Q250) binding shikimate

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
39% identity, 89% coverage: 1:260/291 of query aligns to 1:252/269 of 2hk9A

query
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2hk9A

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binding 2'-monophosphoadenosine-5'-diphosphate: V67 (≠ I66), G132 (= G129), G133 (= G130), A134 (= A131), N153 (= N151), R154 (= R152), T155 (= T153), T188 (= T193), S189 (≠ P194), V190 (≠ L195)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S19), S21 (= S21), N64 (= N63), K70 (= K69), N91 (= N90), D106 (= D105), Y216 (= Y222), L239 (= L247), Q242 (= Q250)

Q58484 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Methanocaldococcus jannaschii (strain ATCC 43067 / DSM 2661 / JAL-1 / JCM 10045 / NBRC 100440) (Methanococcus jannaschii) (see paper)
35% identity, 93% coverage: 1:271/291 of query aligns to 1:275/282 of Q58484

query
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Q58484

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GAGGA 130:134 (≠ LGAGG 126:130) binding NADP(+)
NRTVEK 152:157 (≠ NRTRSR 151:156) binding NADP(+)
T196 (= T193) binding NADP(+)
M200 (= M197) binding NADP(+)
L224 (≠ A220) binding NADP(+)

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
35% identity, 93% coverage: 1:271/291 of query aligns to 6:280/287 of 1nvtB

query
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1nvtB

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S

E

E

I

S

D

S

K

E

D

V

A

S

Q

I

L

L

I

G

G

A

A

V

V

N

N

T

T

V

I

K

K

V

I

E

E

G

D

A

G

K

K

L

A

H

I

C

G

F

Y

N

N

T

T

D
|
D

V

G

Y

I

G

G

V

A

E

R

R

M

C

A

L

L

R

E

-

E

-

I

G

G

L

R

A

V

S

K

D

D

G

K

F

N

T

I

M

V

L

I

V

Y

L
x
G

G

A

A
x
G

G
|
G

G
x
A

A

A

A

R

K

A

A

V

A

A

V

F

L

E

A

L

A

A

Q

K

H

D

L

-

G

-

A

-

S

N

T

N

V

I

I

I

S

A

N
|
N

R
|
R

T
|
T

R

V

S

E

R
x
K

A

A

V

E

Q

A

L

L

A

A

G

K

-

E

I

I

A

A

E

E

A

K

L

L

G

N

L

K

R

K

-

F

A

G

R

E

V

E

V

V

A

K

W

F

P

S

P

G

P

L

R

D

E

V

A

D

I

L

E

D

E

G

A

V

D

D

V

I

L

I

F

I

N

N

A
|
A

T
|
T

P
|
P

L
x
I

G

G

M
|
M

E

Y

-

P

G

N

V

I

G

D

G

V

A

E

P

P

P

I

V

V

D

K

T

A

D

E

A

K

I

L

S

R

P

E

K

D

H

M

V

V

F

M

D

D

A
x
L

I

I

Y
|
Y

K

N

P

P

L

L

E

E

T

T

P

V

L

L

I

L

R

K

A

E

A

A

R

K

E

K

R

V

N

N

A

A

R

K

T

T

V

I

D

N

G

G

L

L

C

G

M
|
M

L
|
L

V

I

W

Y

Q

Q

A

G

L

A

E

V

A

A

D

F

R

K

I

I

W

W

L

T

G

G

I

V

D

E

P

P

S

N

E

I

K

E

L

V

Y

M

Q

K

A

N

A

A

active site: K75 (= K69), D111 (= D105)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I72 (= I66), G135 (≠ L126), G137 (≠ A128), G138 (= G129), A139 (≠ G130), N157 (= N151), R158 (= R152), T159 (= T153), K162 (≠ R156), A200 (= A192), T201 (= T193), P202 (= P194), I203 (≠ L195), M205 (= M197), L229 (≠ A220), Y231 (= Y222), M255 (= M246), L256 (= L247)
binding zinc ion: E22 (≠ A17), H23 (≠ Q18)

1nvtA Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
35% identity, 93% coverage: 1:271/291 of query aligns to 6:280/287 of 1nvtA

query
sites
1nvtA

M

M

L

I

V

N

G

A

P

K

K

T

R

K

L

V

Y

I

G

G

L

L

I

I

G

G

H

H

P

P

V

V

A

E

Q

H

S

S

L

F

S

S

P

P

V

I

I

M

H

H

E

N

S

A

V

A

Y

F

R

K

K

D

V

K

G

G

V

L

E

N

A

Y

V

V

Y

Y

L

V

L

A

W

F

D

D

V

V

E

L

G

P

R

E

E

N

V

L

H

K

F

Y

V

V

V

I

E

D

G

G

L

A

R

K

N

A

L

L

A

G

-

I

N

V

G

G

F

F

N

N

V

V

T

T

I

I

P

P

H

H

K
|
K

E

I

R

E

V

I

R

M

A

K

H

Y

C

L

D

D

S

E

E

I

S

D

S

K

E

D

V

A

S

Q

I

L

L

I

G

G

A

A

V

V

N

N

T

T

V

I

K

K

V

I

E

E

G

D

A

G

K

K

L

A

H

I

C

G

F

Y

N

N

T

T

D
|
D

V

G

Y

I

G

G

V

A

E

R

R

M

C

A

L

L

R

E

-

E

-

I

G

G

L

R

A

V

S

K

D

D

G

K

F

N

T

I

M

V

L

I

V

Y

L
x
G

G

A

A

G

G

G

G
x
A

A

A

A

R

K

A

A

V

A

A

V

F

L

E

A

L

A

A

Q

K

H

D

L

-

G

-

A

-

S

N

T

N

V

I

I

I

S

A

N
|
N

R
|
R

T
|
T

R

V

S

E

R
x
K

A

A

V

E

Q

A

L

L

A

A

G

K

-

E

I

I

A

A

E

E

A

K

L

L

G

N

L

K

R

K

-

F

A

G

R

E

V

E

V

V

A

K

W

F

P

S

P

G

P

L

R

D

E

V

A

D

I

L

E

D

E

G

A

V

D

D

V

I

L

I

F

I

N

N

A
|
A

T
|
T

P
|
P

L
x
I

G

G

M
|
M

E

Y

-

P

G

N

V

I

G

D

G

V

A

E

P

P

P

I

V

V

D

K

T

A

D

E

A

K

I

L

S

R

P

E

K

D

H

M

V

V

F

M

D

D

A
x
L

I

I

Y
|
Y

K

N

P

P

L

L

E

E

T

T

P

V

L

L

I

L

R

K

A

E

A

A

R

K

E

K

R

V

N

N

A

A

R

K

T

T

V

I

D

N

G
|
G

L

L

C

G

M
|
M

L
|
L

V

I

W

Y

Q

Q

A

G

L

A

E

V

A

A

D

F

R

K

I

I

W

W

L

T

G

G

I

V

D

E

P

P

S

N

E

I

K

E

L

V

Y

M

Q

K

A

N

A

A

active site: K75 (= K69), D111 (= D105)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G135 (≠ L126), A139 (≠ G130), N157 (= N151), R158 (= R152), T159 (= T153), K162 (≠ R156), A200 (= A192), T201 (= T193), P202 (= P194), I203 (≠ L195), M205 (= M197), L229 (≠ A220), Y231 (= Y222), G252 (= G243), M255 (= M246), L256 (= L247)

3tozA 2.2 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with NAD.
32% identity, 88% coverage: 2:258/291 of query aligns to 9:276/291 of 3tozA

query
sites
3tozA

L

I

V

T

G

G

P

H

K

T

R

E

L

L

Y

I

G

G

L

L

I

I

G

A

H

T

P

P

V

I

A

R

Q

H

S

S

L

L

S

S

P

P

V

T

I

M

H

H

E

N

S

E

V

A

Y

F

R

A

K

K

V

L

G

G

V

L

E

D

A

Y

V

V

Y

Y

L

L

L

A

W

F

D

E

V

V

E

G

G

D

R

K

E

E

V

L

H

K

F

D

V

V

E

Q

G

G

L

F

R

R

N

A

L

M

A

N

-

L

N

R

G

G

F

W

N

N

V

V

T

S

I

M

P

P

H

N

K

K

E

T

R

N

V

I

R

H

A

K

H

Y

C

L

D

D

S

K

E

L

S

S

S

P

E

A

V

A

S

E

I

L

L

V

G

G

A

A

V

V

N

N

T

T

V

V

K

V

V

N

E

D

G

D

A

G

K

V

L

L

H

T

C

G

F

H

N

I

T

T

D

D

V

G

Y

T

G

G

V

Y

E

M

R

R

C

A

L

L

R

K

G

E

L

A

A

G

S

H

D

D

-

I

G

G

F

K

T

K

M

M

L

T

V

I

L

C

G
|
G

A
|
A

G
|
G

A
|
A

A

A

K

T

A

A

A

I

V

C

L

I

A

Q

A

A

Q

A

H

L

L

D

G

G

A

V

S

K

T

E

V

I

I

S

I

I

S

F

N
|
N

R
|
R

T

K

R
x
D

S

D

R
x
F

A

Y

V

A

Q

N

L

A

A

E

G

K

I

T

A

V

E

E

A

K

L

I

G

N

L

S

R

K

A

T

R

D

V

C

V

K

A

A

W

Q

-

L

-

F

-

D

-

I

-

E

-

D

-

H

P

E

P

Q

P

L

R

R

E

K

A

E

I

I

E

A

E

E

A

S

D

V

V

I

L

F

F

T

N

N

A

A

T
|
T

P
x
G

L
x
V

G

G

M
|
M

E

K

G

P

V
x
F

G

E

G

G

A

E

P

T

P

L

V

L

D

P

T

S

-

A

D

D

A

M

I

L

S

R

P

P

K

E

H

L

V

I

V

V

F

S

D

D

A
x
V

I

V

Y
|
Y

K

K

P

P

L

T

E

K

T

T

P

R

L

L

I

L

R

E

A

I

A

A

R

E

E

E

R

Q

N

G

A

C

R

Q

T

T

V

L

D

N

G
|
G

L

L

C

G

M
|
M

L
x
M

V

L

W

W

Q

Q

A

G

L

A

E

K

A

A

D

F

R

E

I

I

W

W

binding nicotinamide-adenine-dinucleotide: G137 (= G127), A138 (= A128), G139 (= G129), G140 (= G130), A141 (= A131), N161 (= N151), R162 (= R152), D164 (≠ R154), F166 (≠ R156), T210 (= T193), G211 (≠ P194), V212 (≠ L195), M214 (= M197), F217 (≠ V200), V238 (≠ A220), Y240 (= Y222), G261 (= G243), M264 (= M246), M265 (≠ L247)

Q8Y9N5 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)
32% identity, 88% coverage: 2:258/291 of query aligns to 9:276/291 of Q8Y9N5

query
sites
Q8Y9N5

L

I

V

T

G

G

P

H

K

T

R

E

L

L

Y

I

G

G

L

L

I

I

G

A

H

T

P

P

V

I

A

R

Q

H

S
|
S

L
|
L

S
|
S

P

P

V

T

I

M

H

H

E

N

S

E

V

A

Y

F

R

A

K

K

V

L

G

G

V

L

E

D

A

Y

V

V

Y

Y

L

L

L

A

W

F

D

E

V

V

E

G

G

D

R

K

E

E

V

L

H

K

F

D

V

V

E

Q

G

G

L

F

R

R

N

A

L

M

A

N

-

L

N

R

G

G

F

W

N

N

V

V

T

S

I

M

P

P

H

N

K

K

E

T

R

N

V

I

R

H

A

K

H

Y

C

L

D

D

S

K

E

L

S

S

S

P

E

A

V

A

S

E

I

L

L

V

G

G

A

A

V

V

N

N

T

T

V

V

K

V

V

N

E

D

G

D

A

G

K

V

L

L

H

T

C

G

F

H

N

I

T

T

D

D

V

G

Y

T

G

G

V

Y

E

M

R

R

C

A

L

L

R

K

G

E

L

A

A

G

S

H

D

D

-

I

G

G

F

K

T

K

M

M

L

T

V

I

L

C

G

G

A

A

G

G

A

A

K

T

A

A

A

I

V

C

L

I

A

Q

A

A

Q

A

H

L

L

D

G

G

A

V

S

K

T

E

V

I

I

S

I

I

S

F

N
|
N

R
|
R

T
x
K

R
x
D

S

D

R

F

A

Y

V

A

Q

N

L

A

A

E

G

K

I

T

A

V

E

E

A

K

L

I

G

N

L

S

R

K

A

T

R

D

V

C

V

K

A

A

W

Q

-

L

-

F

-

D

-

I

-

E

-

D

-

H

P

E

P

Q

P

L

R

R

E

K

A

E

I

I

E

A

E

E

A

S

D

V

V

I

L

F

F

T

N

N

A

A

T

T

P

G

L

V

G

G

M
|
M

E

K

G

P

V

F

G

E

G

G

A

E

P

T

P

L

V

L

D

P

T

S

-

A

D

D

A

M

I

L

S

R

P

P

K

E

H

L

V

I

V

V

F

S

D

D

A

V

I

V

Y

Y

K

K

P

P

L

T

E

K

T

T

P

R

L

L

I

L

R

E

A

I

A

A

R

E

E

E

R

Q

N

G

A

C

R

Q

T

T

V

L

D

N

G

G

L

L

C

G

M

M

L

M

V

L

W

W

Q

Q

A

G

L

A

E

K

A

A

D

F

R

E

I

I

W

W

SLS 26:28 (= SLS 19:21) binding shikimate
NRKD 161:164 (≠ NRTR 151:154) binding NAD(+)
M214 (= M197) binding NADP(+)

3tnlA 1.45 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with shikimate and NAD.
32% identity, 88% coverage: 2:258/291 of query aligns to 6:273/288 of 3tnlA

query
sites
3tnlA

L

I

V

T

G

G

P

H

K

T

R

E

L

L

Y

I

G

G

L

L

I

I

G

A

H

T

P

P

V

I

A

R

Q

H

S
|
S

L

L

S
|
S

P

P

V

T

I

M

H

H

E

N

S

E

V

A

Y

F

R

A

K

K

V

L

G

G

V

L

E

D

A

Y

V

V

Y

Y

L

L

L

A

W

F

D

E

V

V

E

G

G

D

R

K

E

E

V

L

H

K

F

D

V

V

E

Q

G

G

L

F

R

R

N

A

L

M

A

N

-

L

N

R

G

G

F

W

N
|
N

V

V

T
x
S

I
x
M

P

P

H

N

K
|
K

E

T

R

N

V

I

R

H

A

K

H

Y

C

L

D

D

S

K

E

L

S

S

S

P

E

A

V

A

S

E

I

L

L

V

G

G

A

A

V

V

N
|
N

T

T

V

V

K

V

V

N

E

D

G

D

A

G

K

V

L

L

H

T

C

G

F

H

N

I

T

T

D
|
D

V

G

Y

T

G

G

V

Y

E

M

R

R

C

A

L

L

R

K

G

E

L

A

A

G

S

H

D

D

-

I

G

G

F

K

T

K

M

M

L

T

V

I

L

C

G
|
G

A
|
A

G
|
G

A
|
A

A

A

K

T

A

A

A

I

V

C

L

I

A

Q

A

A

Q

A

H

L

L

D

G

G

A

V

S

K

T

E

V

I

I

S

I

I

S

F

N
|
N

R
|
R

T

K

R
x
D

S

D

R
x
F

A

Y

V

A

Q

N

L

A

A

E

G

K

I

T

A

V

E

E

A

K

L

I

G

N

L

S

R

K

A

T

R

D

V

C

V

K

A

A

W

Q

-

L

-

F

-

D

-

I

-

E

-

D

-

H

P

E

P

Q

P

L

R

R

E

K

A

E

I

I

E

A

E

E

A

S

D

V

V

I

L

F

F

T

N

N

A

A

T
|
T

P

G

L
x
V

G

G

M
|
M

E

K

G

P

V
x
F

G

E

G

G

A

E

P

T

P

L

V

L

D

P

T

S

-

A

D

D

A

M

I

L

S

R

P

P

K

E

H

L

V

I

V

V

F

S

D

D

A
x
V

I

V

Y
|
Y

K

K

P

P

L

T

E

K

T

T

P

R

L

L

I

L

R

E

A

I

A

A

R

E

E

E

R

Q

N

G

A

C

R

Q

T

T

V

L

D

N

G

G

L

L

C

G

M
|
M

L
x
M

V

L

W

W

Q
|
Q

A

G

L

A

E

K

A

A

D

F

R

E

I

I

W

W

binding nicotinamide-adenine-dinucleotide: M71 (≠ I66), G134 (= G127), A135 (= A128), G136 (= G129), G137 (= G130), A138 (= A131), N158 (= N151), R159 (= R152), D161 (≠ R154), F163 (≠ R156), T207 (= T193), V209 (≠ L195), M211 (= M197), F214 (≠ V200), V235 (≠ A220), Y237 (= Y222), M261 (= M246), M262 (≠ L247)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S23 (= S19), S25 (= S21), N68 (= N63), S70 (≠ T65), K74 (= K69), N95 (= N90), D110 (= D105), Q265 (= Q250)

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
29% identity, 93% coverage: 9:280/291 of query aligns to 3:266/269 of Q5HNV1

query
sites
Q5HNV1

Y

F

G

A

L

V

I

I

G

G

H

N

P

P

V

I

A

S

Q

H

S
|
S

L
|
L

S
|
S

P

P

V

L

I

M

H

H

E

H

S

A

V

N

Y

F

R

Q

K

S

V

L

G

N

V

L

E

E

A

N

V

T

Y

Y

L

E

L

A

W

I

D

N

V

V

E

P

G

V

R

N

E

Q

V

F

H

Q

F

D

V

I

V

K

E

K

G

I

L

I

R

S

N

E

L

K

A

S

-

I

N

D

G

G

F

F

N

N

V

V

T
|
T

I

I

P

P

H

H

K

K

E

E

R

R

V

I

R

I

A

P

H

Y

C

L

D

D

S

D

E

I

S

N

S

E

E

Q

V

A

S

K

I

S

L

V

G

G

A

A

V

V

N
|
N

T

T

V

V

K

L

V

V

E

K

G

D

A

G

K

K

L

W

H

I

C

G

F

Y

N

N

T

T

D
|
D

-

G

-

I

-

G

-

Y

V

V

Y

N

G

G

V

L

E

K

R

Q

C

I

L

Y

R

E

G

G

L

I

A

-

S

E

D

D

G

A

F

Y

T

-

M

I

L

L

V

I

L

L

G

G

A

A

G

G

A

A

A

S

K

K

A

G

A

I

V

A

L

N

A

E

A

L

Q

Y

H

K

L

I

G

V

A

R

S

P

T

T

V

L

I

T

I

V

S

A

N

N

R

R

T

T

R

M

S

S

R

R

A

F

V

N

Q

N

L

W

A

S

G

-

I

-

A

-

E

-

A

-

L

-

G

-

L

L

R

N

A

I

R

N

V

K

V

I

A

N

W

L

P

S

P

H

P

A

R

E

E

S

A

H

I

L

E

D

E

E

A

F

D

D

V

I

L

I

F

I

N

N

A

T

T

T

P

P

L

A

G

G

M

M

E

N

G

G

V

-

G

N

G

T

A

D

P

S

P

V

V

I

D

S

T

L

D

N

A

R

I

L

S

A

P

S

K

H

H

T

V

L

V

V

F

S

D

D

A

I

I

V

Y
|
Y

K

N

P

P

L

Y

E

K

T

T

P

P

L

I

I

L

R

I

A

E

A

A

R

E

E

Q

R

R

N

G

A

N

R

P

T

I

V

Y

D

N

G

G

L

L

C

D

M

M

L

F

V

V

W

H

Q
|
Q

A

G

L

A

E

E

A

S

D

F

R

K

I

I

W

W

L

T

G

N

I

L

D

E

P

P

S

D

E

I

K

K

L

-

Y

-

Q

-

A

A

A

M

R

K

K

N

A

I

A

V

L

I

E

Q

A

K

L

L

Q

K

SLS 13:15 (= SLS 19:21) binding shikimate
T60 (= T65) binding shikimate
N85 (= N90) binding shikimate
D100 (= D105) binding shikimate
Y211 (= Y222) Plays a major role in the catalytic process and a minor role in the substrate binding; mutation to F: Leads to a 345-fold decrease in the catalytic efficiency and a 3-fold decrease in the affinity binding for shikimate.
Q239 (= Q250) binding shikimate

2cy0A Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP (see paper)
39% identity, 91% coverage: 9:274/291 of query aligns to 4:260/262 of 2cy0A

query
sites
2cy0A

Y

F

G

A

L

V

I

L

G

G

H

H

P

P

V

V

A

A

Q

H

S

S

L

L

S

S

P

P

V

A

I

M

H

H

E

A

S

F

V

A

Y

L

R

E

K

S

V

L

G

G

V

L

E

E

A

G

V

S

Y

Y

L

E

L

A

W

W

D

D

V

T

E

P

G

L

R

E

E

A

V

L

H

P

F

G

V

R

V

L

E

K

G

E

L

V

R

R

N

R

L

A

A

F

N

R

G

G

F

V

N

N

V

L

T

T

I

L

P

P

H

L

K
|
K

E

E

R

A

V

A

R

L

A

A

H

H

C

L

D

D

S

W

E

V

S

S

S

P

E

E

V

A

S

Q

I

R

L

I

G

G

A

A

V

V

N

N

T

T

V

V

-

L

K

Q

V

V

E

E

G

G

A

-

K

R

L

L

H

F

C

G

F

F

N

N

T

T

D
|
D

V

A

Y

P

G

G

V

F

E

L

R

E

C

A

L

L

R

K

-

A

-

G

G

G

L

I

A

P

S

L

D

K

G

G

F

-

T

P

M

A

L

L

V

V

L

L

G
|
G

A

A

G

G

G
|
G

A
|
A

A

G

K

R

A

A

A

V

V

A

L

F

A

A

A

L

Q

R

H

E

L

A

G

G

A

L

S

E

T

-

V

V

I

W

I

V

S

W

N
|
N

R
|
R

T
|
T

R

P

S

Q

R
|
R

A

A

V

L

Q

A

L

L

A

-

G

-

I

-

A

A

E

E

A

E

L

F

G

G

L

L

R

R

A

A

R

V

V

-

A

-

W

-

P

-

P

P

R

L

E

E

A

K

I

A

E

R

E

E

A

A

D

R

V

L

L

L

F

V

N

N

A

A

T
|
T

P
x
R

L
x
V

G

G

M

L

E

E

G

D

V

P

G

-

G

S

A

A

P

S

P

P

V

L

D

P

T

A

D

E

A

L

I

F

S

P

P

E

K

E

H

G

V

A

F

V

D

D

A
x
L

I

V

Y

Y

K

R

P

P

L

L

E

W

T

T

P

R

L

F

I

L

R

R

A

E

A

A

R

K

E

A

R

K

N

G

A

L

R

K

T

V

V

Q

D

T

G

G

L

L

C

P

M

M

L
|
L

V

A

W

W

Q

Q

A

G

L

A

E

L

A

A

D

F

R

R

I

L

W

W

L

T

G

G

I

L

-

L

-

P

D

D

P

P

S

S

E

-

K

G

L

M

Y

E

Q

E

A

A

R

R

K

R

A

A

active site: K64 (= K69), D100 (= D105)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G123 (= G127), G126 (= G130), A127 (= A131), N146 (= N151), R147 (= R152), T148 (= T153), R151 (= R156), T179 (= T193), R180 (≠ P194), V181 (≠ L195), L205 (≠ A220), L232 (= L247)

2ev9B Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP(h) and shikimate (see paper)
39% identity, 91% coverage: 9:274/291 of query aligns to 4:260/263 of 2ev9B

query
sites
2ev9B

Y

F

G

A

L

V

I

L

G

G

H

H

P

P

V

V

A

A

Q

H

S
|
S

L

L

S
|
S

P

P

V

A

I

M

H

H

E

A

S

F

V

A

Y

L

R

E

K

S

V

L

G

G

V

L

E

E

A

G

V

S

Y

Y

L

E

L

A

W

W

D

D

V

T

E

P

G

L

R

E

E

A

V

L

H

P

F

G

V

R

V

L

E

K

G

E

L

V

R

R

N

R

L

A

A

F

N

R

G

G

F

V

N
|
N

V

L

T
|
T

I

L

P

P

H

L

K
|
K

E

E

R

A

V

A

R

L

A

A

H

H

C

L

D

D

S

W

E

V

S

S

S

P

E

E

V

A

S

Q

I

R

L

I

G

G

A

A

V

V

N
|
N

T

T

V

V

-

L

K

Q

V

V

E

E

G

G

A

-

K

R

L

L

H

F

C

G

F

F

N

N

T

T

D
|
D

V

A

Y

P

G

G

V

F

E

L

R

E

C

A

L

L

R

K

-

A

-

G

G

G

L

I

A

P

S

L

D

K

G

G

F

-

T

P

M

A

L

L

V

V

L

L

G

G

A

A

G

G

A

A

A

G

K

R

A

A

A

V

V

A

L

F

A

A

A

L

Q

R

H

E

L

A

G

G

A

L

S

E

T

-

V

V

I

W

I

V

S

W

N

N

R

R

T

T

R

P

S

Q

R

R

A

A

V

L

Q

A

L

L

A

-

G

-

I

-

A

A

E

E

A

E

L

F

G

G

L

L

R

R

A

A

R

V

V

-

A

-

W

-

P

-

P

P

R

L

E

E

A

K

I

A

E

R

E

E

A

A

D

R

V

L

L

L

F

V

N

N

A

A

T

T

P

R

L

V

G

G

M

L

E

E

G

D

V

P

G

-

G

S

A

A

P

S

P

P

V

L

D

P

T

A

D

E

A

L

I

F

S

P

P

E

K

E

H

G

V

A

F

V

D

D

A

L

I

V

Y

Y

K

R

P

P

L

L

E

W

T

T

P

R

L

F

I

L

R

R

A

E

A

A

R

K

E

A

R

K

N

G

A

L

R

K

T

V

V

Q

D

T

G

G

L

L

C

P

M

M

L

L

V

A

W

W

Q
|
Q

A

G

L

A

E

L

A

A

D

F

R

R

I

L

W

W

L

T

G

G

I

L

-

L

-

P

D

D

P

P

S

S

E

-

K

G

L

M

Y

E

Q

E

A

A

R

R

K

R

A

A

active site: K64 (= K69), D100 (= D105)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S19), S16 (= S21), N58 (= N63), T60 (= T65), K64 (= K69), N85 (= N90), D100 (= D105), Q235 (= Q250)

Q5SJF8 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8) (see paper)
39% identity, 91% coverage: 9:274/291 of query aligns to 4:260/263 of Q5SJF8

query
sites
Q5SJF8

Y

F

G

A

L

V

I

L

G

G

H

H

P

P

V

V

A

A

Q

H

S
|
S

L
|
L

S
|
S

P

P

V

A

I

M

H

H

E

A

S

F

V

A

Y

L

R

E

K

S

V

L

G

G

V

L

E

E

A

G

V

S

Y

Y

L

E

L

A

W

W

D

D

V

T

E

P

G

L

R

E

E

A

V

L

H

P

F

G

V

R

V

L

E

K

G

E

L

V

R

R

N

R

L

A

A

F

N

R

G

G

F

V

N

N

V

L

T
|
T

I

L

P

P

H

L

K
|
K

E

E

R

A

V

A

R

L

A

A

H

H

C

L

D

D

S

W

E

V

S

S

S

P

E

E

V

A

S

Q

I

R

L

I

G

G

A

A

V

V

N
|
N

T

T

V

V

-

L

K

Q

V

V

E

E

G

G

A

-

K

R

L

L

H

F

C

G

F

F

N

N

T

T

D
|
D

V

A

Y

P

G

G

V

F

E

L

R

E

C

A

L

L

R

K

-

A

-

G

G

G

L

I

A

P

S

L

D

K

G

G

F

-

T

P

M

A

L

L

V

V

L

L

G
|
G

A
|
A

G
|
G

A
|
A

A

G

K

R

A

A

A

V

V

A

L

F

A

A

A

L

Q

R

H

E

L

A

G

G

A

L

S

E

T

-

V

V

I

W

I

V

S

W

N
|
N

R
|
R

T
|
T

R
x
P

S
x
Q

R
|
R

A

A

V

L

Q

A

L

L

A

-

G

-

I

-

A

A

E

E

A

E

L

F

G

G

L

L

R

R

A

A

R

V

V

-

A

-

W

-

P

-

P

P

R

L

E

E

A

K

I

A

E

R

E

E

A

A

D

R

V

L

L

L

F

V

N

N

A

A

T

T

P

R

L

V

G

G

M

L

E

E

G

D

V

P

G

-

G

S

A

A

P

S

P

P

V

L

D

P

T

A

D

E

A

L

I

F

S

P

P

E

K

E

H

G

V

A

F

V

D

D

A
x
L

I

V

Y
|
Y

K

R

P

P

L

L

E

W

T

T

P

R

L

F

I

L

R

R

A

E

A

A

R

K

E

A

R

K

N

G

A

L

R

K

T

V

V

Q

D

T

G
|
G

L

L

C

P

M

M

L

L

V

A

W

W

Q
|
Q

A

G

L

A

E

L

A

A

D

F

R

R

I

L

W

W

L

T

G

G

I

L

-

L

-

P

D

D

P

P

S

S

E

-

K

G

L

M

Y

E

Q

E

A

A

R

R

K

R

A

A

SLS 14:16 (= SLS 19:21) binding shikimate
T60 (= T65) binding shikimate
K64 (= K69) active site, Proton acceptor
N85 (= N90) binding shikimate
D100 (= D105) binding shikimate
GAGGA 123:127 (= GAGGA 127:131) binding NADP(+)
NRTPQR 146:151 (≠ NRTRSR 151:156) binding NADP(+)
L205 (≠ A220) binding NADP(+)
Y207 (= Y222) binding shikimate
G228 (= G243) binding NADP(+)
Q235 (= Q250) binding shikimate

2o7sA Crystal structure of the a. Thaliana dhq-dehydroshikimate-sdh- shikimate-NADP(h)
36% identity, 91% coverage: 3:268/291 of query aligns to 230:484/500 of 2o7sA

query
sites
2o7sA

V

I

G

G

P

P

K

D

-

T

R

K

L

V

Y

Y

G

G

L
x
I

I

I

G

G

H

K

P

P

V

V

A

S

Q

H

S
|
S

L

K

S
|
S

P

P

V

I

I

V

H

H

E

N

S

Q

V

A

Y

F

R

K

K

S

V

V

G

D

V

F

E

N

A

G

V

V

Y

Y

L

-

W

-

D

-

V

-

E

-

G

-

R

-

E

-

V

V

H

H

F

L

V

L

V

V

E

D

G

N

L

L

R

V

N

S

L

F

A

L

N

Q

-

A

-

Y

-

S

-

D

-

F

-

A

G

G

F

F

N

S

V

C

T
|
T

I
|
I

P
|
P

H

H

K
|
K

E

E

R

A

V

A

R

L

A

Q

H

C

C

C

D

D

S

E

E

V

S

D

S

P

E

L

V

A

S

K

I

S

L

I

G

G

A

A

V

V

N
|
N

T

T

V

I

-

L

-

R

K

R

V

K

E

S

G

D

A

G

K

K

L

L

H

L

C

G

F

Y

N

N

T

T

D
|
D

V

C

Y

I

G

G

V

S

E

I

R

S

C

A

L

I

R

E

G

-

L

-

A

-

S

-

D

D

G

G

F

L

T

T

M

V

L

V

V

V

L

I

G

G

A

A

G
|
G

A
|
A

A

G

K

K

A

A

A

L

V

A

L

Y

A

G

A

A

Q

K

H

E

L

K

G

G

A

A

S

-

T

-

V

V

I

V

I

I

S

A

N
|
N

R
|
R

T
|
T

R

Y

S

E

R
|
R

A

A

V

L

Q

E

L

L

A

A

-

E

G

A

I

I

A

G

E

G

A

A

L

L

G

S

L

L

R

T

A

-

R

-

V

-

A

-

W

-

P

-

P

D

R

L

E

D

A

N

I

Y

E

E

E

D

A

G

D

M

V

V

L

L

F

A

N

N

A

T

T
|
T

P
x
S

L
x
M

G

G

M

M

E

Q

G

P

V

N

G

V

G

E

A

E

P

T

P

P

V

I

D

S

T

K

D

D

A

A

I

L

S

K

P

H

K

Y

H

A

V

L

V

V

F

F

D

D

A
|
A

I

V

Y
|
Y

K

T

P

P

L

R

E

I

T

T

P

R

L

L

I

L

R

R

A

E

A

A

R

E

E

E

R

S

N

G

A

A

R

I

T

T

V

V

D

S

G

G

L

S

C

E

M
|
M

L
x
F

V

V

W

R

Q
|
Q

A

A

L

Y

E

E

A
x
Q

D

F

R

E

I

I

W

F

L

T

G

G

I

L

D

P

P

A

S

P

E

K

K

E

L

L

Y

Y

binding 3-dehydroshikimate: I239 (≠ L11), S247 (= S19), S249 (= S21), T292 (= T65), K296 (= K69), N317 (= N90), D334 (= D105), Y438 (= Y222), Q466 (= Q250), Q470 (≠ A254)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I293 (= I66), P294 (= P67), K296 (= K69), D334 (= D105), G354 (= G129), G355 (= G130), A356 (= A131), N374 (= N151), R375 (= R152), T376 (= T153), R379 (= R156), T409 (= T193), S410 (≠ P194), M411 (≠ L195), A436 (= A220), M462 (= M246), F463 (≠ L247)

Sites not aligning to the query:

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

2o7qA Crystal structure of the a. Thaliana dhq-dehydroshikimate-sdh- shikimate-NADP(h)
36% identity, 91% coverage: 3:268/291 of query aligns to 230:485/501 of 2o7qA

query
sites
2o7qA

V

I

G

G

P

P

K

D

-

T

R

K

L

V

Y

Y

G

G

L
x
I

I

I

G

G

H

K

P

P

V

V

A

S

Q

H

S
|
S

L

K

S
|
S

P

P

V

I

I

V

H

H

E

N

S

Q

V

A

Y

F

R

K

K

S

V

V

G

D

V

F

E

N

A

G

V

V

Y

Y

L

-

W

-

D

-

V

-

E

-

G

-

R

-

E

-

V

V

H

H

F

L

V

L

V

V

E

D

G

N

L

L

R

V

N

S

L

F

A

L

N

Q

-

A

-

Y

-

S

-

D

-

F

-

A

G

G

F

F

N

S

V

C

T
|
T

I

I

P

P

H

H

K
|
K

E

E

R

A

V

A

R

L

A

Q

H

C

C

C

D

D

S

E

E

V

S

D

S

P

E

L

V

A

S

K

I

S

L

I

G

G

A

A

V

V

N

N

T

T

V

I

-

L

-

R

K

R

V

K

E

S

G

D

A

G

K

K

L

L

H

L

C

G

F

Y

N

N

T

T

D
|
D

V

C

Y

I

G

G

V

S

E

I

R

S

C

A

L

I

R

E

G

-

L

-

A

-

S

-

D

D

G

G

F

L

T

T

M

V

L

V

V

V

L

I

G

G

A

A

G

G

A

A

A

G

K

K

A

A

A

L

V

A

L

Y

A

G

A

A

Q

K

H

E

L

-

G

-

A

K

S

A

T

K

V

V

I

V

I

I

S

A

N

N

R

R

T

T

R

Y

S

E

R

R

A

A

V

L

Q

E

L

L

A

A

G

-

I

-

A

-

E

E

A

A

L

I

G

G

L

G

R

K

A

A

R

L

V

S

V

L

A

T

W

-

P

-

P

D

R

L

E

D

A

N

I

Y

E

E

E

D

A

G

D

M

V

V

L

L

F

A

N

N

A

T

T

T

P

S

L

M

G

G

M

M

E

Q

G

P

V

N

G

V

G

E

A

E

P

T

P

P

V

I

D

S

T

K

D

D

A

A

I

L

S

K

P

H

K

Y

H

A

V

L

V

V

F

F

D

D

A

A

I

V

Y
|
Y

K

T

P

P

L

R

E

I

T

T

P

R

L

L

I

L

R

R

A

E

A

A

R

E

E

E

R

S

N

G

A

A

R

I

T

T

V

V

D

S

G

G

L

S

C

E

M

M

L
x
F

V

V

W

R

Q
|
Q

A

A

L

Y

E

E

A
x
Q

D

F

R

E

I

I

W

F

L

T

G

G

I

L

D

P

P

A

S

P

E

K

K

E

L

L

Y

Y

binding 3-dehydroshikimate: I239 (≠ L11), S247 (= S19), S249 (= S21), T292 (= T65), K296 (= K69), D334 (= D105), Y439 (= Y222), F464 (≠ L247), Q467 (= Q250), Q471 (≠ A254)

Sites not aligning to the query:

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

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
28% identity, 93% coverage: 9:280/291 of query aligns to 3:257/258 of 3dooA

query
sites
3dooA

Y

F

G

A

L

V

I

I

G

G

H

N

P

P

V

I

A

S

Q

H

S
|
S

L

L

S
|
S

P

P

V

L

I

M

H

H

E

H

S

A

V

N

Y

F

R

Q

K

S

V

L

G

N

V

L

E

E

A

N

V

T

Y

Y

L

E

L

A

W

I

D

N

V

V

E

P

G

V

R

N

E

Q

V

F

H

Q

F

D

V

I

V

K

E

K

G

I

L

I

R

S

N

E

L

K

A

S

-

I

N

D

G

G

F

F

N
|
N

V

V

T
|
T

I

I

P

P

H

H

K
|
K

E

E

R

R

V

I

R

I

A

P

H

Y

C

L

D

D

S

D

E

I

S

N

S

E

E

Q

V

A

S

K

I

S

L

V

G

G

A

A

V

V

N
|
N

T

T

V

V

K

L

V

V

E

K

G

D

A

G

K

K

L

W

H

I

C

G

F

Y

N

N

T

T

D
|
D

-

G

-

I

-

G

-

Y

V

V

Y

N

G

G

V

L

E

K

R

Q

C

I

L

Y

R

E

G

G

L

I

A

-

S

E

D

D

G

A

F

Y

T

-

M

I

L

L

V

I

L

L

G

G

A

A

G

G

A

A

A

S

K

K

A

G

A

I

V

A

L

N

A

E

A

L

Q

Y

H

K

L

I

G

V

A

R

S

P

T

T

V

L

I

T

I

V

S

A

N

N

R

R

T

T

R

M

S

S

R

R

A

-

V

-

Q

-

L

-

A

-

G

-

I

-

A

F

E

N

A

N

L

W

G

S

L

L

R

N

A

I

R

N

V

K

V

I

A

N

W

L

P

S

P

H

P

A

R

E

E

S

A

H

I

L

E

D

E

E

A

F

D

D

V

I

L

I

F

I

N

N

A

T

T

T

P

P

L

V

G

-

M

-

E

-

G

-

V

-

G

-

A

-

P

-

V

I

D

S

T

L

D

N

A

R

I

L

S

A

P

S

K

H

H

T

V

L

V

V

F

S

D

D

A

I

I

V

Y

Y

K

N

P

P

L

Y

E

K

T

T

P

P

L

I

I

L

R

I

A

E

A

A

R

E

E

Q

R

R

N

G

A

N

R

P

T

I

V

Y

D

N

G

G

L

L

C

D

M

M

L
x
F

V

V

W

H

Q
|
Q

A

G

L

A

E

E

A

S

D

F

R

K

I

I

W

W

L

T

G

N

I

L

D

E

P

P

S

D

E

I

K

K

L

-

Y

-

Q

-

A

A

A

M

R

K

K

N

A

I

A

V

L

I

E

Q

A

K

L

L

Q

K

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S13 (= S19), S15 (= S21), N58 (= N63), T60 (= T65), K64 (= K69), N85 (= N90), D100 (= D105), F227 (≠ L247), Q230 (= Q250)

2gptA Crystal structure of arabidopsis dehydroquinate dehydratase-shikimate dehydrogenase in complex with tartrate and shikimate (see paper)
35% identity, 91% coverage: 3:268/291 of query aligns to 230:482/498 of 2gptA

query
sites
2gptA

V

I

G

G

P

P

K

D

-

T

R

K

L

V

Y

Y

G

G

L
x
I

I

I

G

G

H

K

P

P

V

V

A

S

Q

H

S
|
S

L

K

S
|
S

P

P

V

I

I

V

H

H

E

N

S

Q

V

A

Y

F

R

K

K

S

V

V

G

D

V

F

E

N

A

G

V

V

Y

Y

L

-

W

-

D

-

V

-

E

-

G

-

R

-

E

-

V

V

H

H

F

L

V

L

V

V

E

D

G

N

L

L

R

V

N

S

L

F

A

L

N

Q

-

A

-

Y

-

S

-

D

-

F

-

A

G

G

F

F

N

S

V

C

T
|
T

I

I

P

P

H

H

K
|
K

E

E

R

A

V

A

R

L

A

Q

H

C

C

C

D

D

S

E

E

V

S

D

S

P

E

L

V

A

S

K

I

S

L

I

G

G

A

A

V

V

N
|
N

T

T

V

I

-

L

-

R

K

R

V

K

E

S

G

D

A

G

K

K

L

L

H

L

C

G

F

Y

N

N

T

T

D
|
D

V

C

Y

I

G

G

V

S

E

I

R

S

C

A

L

I

R

E

G

-

L

-

A

-

S

-

D

D

G

G

F

L

T

T

M

V

L

V

V

V

L

I

G

G

A

A

G

G

A

A

A

G

K

K

A

A

A

L

V

A

L

Y

A

G

A

A

Q

K

H

E

L

K

G

G

A

A

S

K

T

-

V

V

I

V

I

I

S

A

N

N

R

R

T

T

R

Y

S

E

R

R

A

E

V

-

Q

-

L

-

A

-

G

-

I

L

A

A

E

E

A

A

L

I

G

G

L

A

R

L

A

S

R

L

V

T

V

-

A

-

W

-

P

-

P

D

R

L

E

D

A

N

I

Y

E

E

E

D

A

G

D

M

V

V

L

L

F

A

N

N

A

T

T

T

P

S

L

M

G

G

M

M

E

Q

G

P

V

N

G

V

G

E

A

E

P

T

P

P

V

I

D

S

T

K

D

D

A

A

I

L

S

K

P

H

K

Y

H

A

V

L

V

V

F

F

D

D

A

A

I

V

Y
|
Y

K

T

P

P

L

R

E

I

T

T

P

R

L

L

I

L

R

R

A

E

A

A

R

E

E

E

R

S

N

G

A

A

R

I

T

T

V

V

D

S

G

G

L

S

C

E

M

M

L

F

V

V

W

R

Q
|
Q

A

A

L

Y

E

E

A
x
Q

D

F

R

E

I

I

W

F

L

T

G

G

I

L

D

P

P

A

S

P

E

K

K

E

L

L

Y

Y

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: I239 (≠ L11), S247 (= S19), S249 (= S21), T292 (= T65), K296 (= K69), N317 (= N90), D334 (= D105), Y436 (= Y222), Q464 (= Q250), Q468 (≠ A254)

Sites not aligning to the query:

active site: 70, 125, 152

6bmqA Crystal structure of arabidopsis dehydroquinate dehydratase-shikimate dehydrogenase (t381g mutant) in complex with tartrate and shikimate (see paper)
35% identity, 91% coverage: 3:268/291 of query aligns to 230:482/498 of 6bmqA

query
sites
6bmqA

V

I

G

G

P

P

K

D

-

T

R

K

L

V

Y

Y

G

G

L

I

I

I

G

G

H

K

P

P

V

V

A

S

Q

H

S
|
S

L

K

S
|
S

P

P

V

I

I

V

H

H

E

N

S

Q

V

A

Y

F

R

K

K

S

V

V

G

D

V

F

E

N

A

G

V

V

Y

Y

L

-

W

-

D

-

V

-

E

-

G

-

R

-

E

-

V

V

H

H

F

L

V

L

V

V

E

D

G

N

L

L

R

V

N

S

L

F

A

L

N

Q

-

A

-

Y

-

S

-

D

-

F

-

A

G

G

F

F

N

S

V
x
C

T

G

I

I

P

P

H

H

K
|
K

E

E

R

A

V

A

R

L

A

Q

H

C

C

C

D

D

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E

V

S

D

S

P

E

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A

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K

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-

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G

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-

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-

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-

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A

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A

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K

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-

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V

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V

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N

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R

R

A

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-

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-

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-

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-

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Y

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binding (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid: S247 (= S19), S249 (= S21), C291 (≠ V64), K296 (= K69), N317 (= N90), D334 (= D105), Y436 (= Y222), Q464 (= Q250)

Sites not aligning to the query:

active site: 70, 125, 152

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)
35% identity, 91% coverage: 3:268/291 of query aligns to 319:596/603 of Q9SQT8

query
sites
Q9SQT8

V

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Y

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S

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S

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x
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S336 (= S19) binding shikimate; mutation to A: 13-fold decrease in substrate affinity but almost no change in activity.
S338 (= S21) binding shikimate; mutation to A: 10-fold decrease in activity, and 9-fold decrease in substrate affinity.
T381 (= T65) binding shikimate
K385 (= K69) 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 (= N90) binding shikimate
D423 (= D105) binding shikimate; mutation to A: Loss of shikimate dehydrogenase activity.; mutation to N: Reduced shikimate dehydrogenase activity, but no change in substrate affinity.
A461 (= A128) binding NADP(+)
G463 (= G130) binding NADP(+)
A464 (= A131) binding NADP(+)
N483 (= N151) binding NADP(+)
T485 (= T153) binding NADP(+)
R488 (= R156) binding NADP(+)
M525 (= M197) binding NADP(+)
A548 (= A220) binding NADP(+)
Y550 (= Y222) binding shikimate; mutation Y->F,A: 100-fold decrease in activity, and 2-fold decrease in substrate affinity.
G571 (= G243) binding NADP(+)
Q578 (= Q250) binding shikimate
Q582 (≠ A254) 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

1npdB X-ray structure of shikimate dehydrogenase complexed with NAD+ from e.Coli (ydib) northeast structural genomics research consortium (nesg) target er24 (see paper)
29% identity, 90% coverage: 7:269/291 of query aligns to 8:282/288 of 1npdB

query
sites
1npdB

R

E

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E

A

A

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N

N

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T

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x
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x
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M

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K

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N

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N

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L

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Q

binding nicotinamide-adenine-dinucleotide: A132 (= A128), G133 (= G129), G134 (= G130), A135 (= A131), N155 (= N151), R156 (= R152), D158 (≠ R154), F160 (≠ R156), T204 (= T193), K205 (≠ P194), V206 (≠ L195), M208 (= M197), C232 (≠ A220), M258 (= M246), L259 (= L247)

Query Sequence

>WP_014026339.1 NCBI__GCF_000223395.1:WP_014026339.1
MLVGPKRLYGLIGHPVAQSLSPVIHESVYRKVGVEAVYLLWDVEGREVHFVVEGLRNLAN
GFNVTIPHKERVRAHCDSESSEVSILGAVNTVKVEGAKLHCFNTDVYGVERCLRGLASDG
FTMLVLGAGGAAKAAVLAAQHLGASTVIISNRTRSRAVQLAGIAEALGLRARVVAWPPPR
EAIEEADVLFNATPLGMEGVGGAPPVDTDAISPKHVVFDAIYKPLETPLIRAARERNART
VDGLCMLVWQALEADRIWLGIDPSEKLYQAARKAALEALQRAVSRRARSTS

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