SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011024467.1 NCBI__GCF_000007345.1:WP_011024467.1 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)

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)
50% identity, 99% coverage: 3:278/280 of query aligns to 7:280/282 of Q58484

query
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Q58484

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GAGGA 130:134 (= GAGGA 128:132) binding NADP(+)
NRTVEK 152:157 (≠ NRTEER 151:156) binding NADP(+)
T196 (= T195) binding NADP(+)
M200 (= M199) binding NADP(+)
L224 (≠ I222) binding NADP(+)

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
50% identity, 99% coverage: 3:278/280 of query aligns to 12:285/287 of 1nvtB

query
sites
1nvtB

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active site: K75 (= K66), D111 (= D104)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I72 (≠ V63), G135 (= G128), G137 (= G130), G138 (= G131), A139 (= A132), N157 (= N151), R158 (= R152), T159 (= T153), K162 (≠ R156), A200 (≠ T194), T201 (= T195), P202 (≠ T196), I203 (≠ L197), M205 (= M199), L229 (≠ I222), Y231 (= Y224), M255 (= M248), L256 (= L249)
binding zinc ion: E22 (≠ G13), H23 (= H14)

1nvtA Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
50% identity, 99% coverage: 3:278/280 of query aligns to 12:285/287 of 1nvtA

query
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1nvtA

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active site: K75 (= K66), D111 (= D104)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G135 (= G128), A139 (= A132), N157 (= N151), R158 (= R152), T159 (= T153), K162 (≠ R156), A200 (≠ T194), T201 (= T195), P202 (≠ T196), I203 (≠ L197), M205 (= M199), L229 (≠ I222), Y231 (= Y224), G252 (= G245), M255 (= M248), L256 (= L249)

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
39% identity, 97% coverage: 3:274/280 of query aligns to 7:264/267 of 2hk9B

query
sites
2hk9B

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binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (= V63), G130 (= G128), G133 (= G131), A134 (= A132), N153 (= N151), R154 (= R152), T155 (= T153), K158 (≠ R156), T188 (= T195), S189 (≠ T196), V190 (≠ L197), I214 (= I222), M238 (= M248), L239 (= L249)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S15), S21 (= S17), N64 (= N60), T66 (= T62), K70 (= K66), N91 (= N88), D106 (= D104), Y216 (= Y224), L239 (= L249), Q242 (= Q252)

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
39% identity, 97% coverage: 3:274/280 of query aligns to 7:264/269 of 2hk9A

query
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2hk9A

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P

E

E

N

E

L

L

R

K

K

K

A

A

I

F

L

E

G

G

A

F

E

K

A

A

M

L

G

K

F

V

G

K

G

G

L

I

N
|
N

L

V

T

T

V
|
V

P

P

L

F

K
|
K

E

E

A

I

L

I

K

P

-

L

L

L

D

D

F

Y

I

V

R

-

P

-

D

E

P

D

L

T

A

A

E

K

R

E

I

I

G

G

A

A

V

V

N
|
N

T

T

V

V

V

K

F

F

S

-

E

E

T

N

G

G

E

K

I

A

R

Y

G

G

Y

Y

N

N

T

T

D
|
D

G

W

L

I

G

G

A

F

R

L

Q

K

A

S

L

L

L

K

E

S

A

L

A

I

V

P

E

E

I

V

R

K

G

E

S

K

K

S

V

I

V

L

V

V

A

L

G

G

A

A

G
|
G

A
|
A

A

S

R

R

A

A

V

V

A

I

F

Y

Q

A

L

L

A

V

A

K

D

E

G

G

A

A

E

K

I

V

T

F

V

L

V

W

N
|
N

R
|
R

T
|
T

E

K

E

E

R

K

A

A

V

I

E

K

L

L

A

A

K

Q

D

-

V

-

A

-

S

K

L

F

P

P

G

L

K

E

I

V

N

-

G

-

T

-

G

-

L

V

S

N

G

S

L

P

K

E

E

E

L

V

L

I

R

D

D

K

A

V

D

Q

I

V

L

I

I

V

N

N

T

T

T
|
T

T
x
S

L
x
V

G

G

M

L

H

K

P

-

N

D

T

E

D

D

T

P

T

E

I

I

A

F

T

N

A

Y

E

D

E

L

L

I

H

K

S

K

G

D

L

H

T

V

V

V

F

V

D

D

I

I

V

I

Y
|
Y

N

K

P

-

L

-

E

E

T

T

R

K

L

L

K

K

E

K

A

A

K

K

V

E

A

K

G

G

A

A

K

K

T

L

V

L

S

D

G

G

V

L

L

P

M

M

L
|
L

V

L

Y

W

Q
|
Q

G

G

A

I

E

E

A

A

F

F

K

K

L

I

W

W

T

N

G

G

V

C

E

E

A

V

P

P

A

Y

E

S

L

V

M

A

K

E

K

R

T

S

V

V

binding 2'-monophosphoadenosine-5'-diphosphate: V67 (= V63), G132 (= G130), G133 (= G131), A134 (= A132), N153 (= N151), R154 (= R152), T155 (= T153), T188 (= T195), S189 (≠ T196), V190 (≠ L197)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S15), S21 (= S17), N64 (= N60), K70 (= K66), N91 (= N88), D106 (= D104), Y216 (= Y224), L239 (= L249), Q242 (= Q252)

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
39% identity, 97% coverage: 3:274/280 of query aligns to 7:264/269 of O67049

query
sites
O67049

R

Q

V

L

F

Y

G

G

V

V

F

I

G

G

D

F

P

P

V

V

G

K

H

H

S
|
S

L
|
L

S
|
S

P

P

A

V

M

F

H

Q

N

N

S

A

A

L

F

I

S

R

A

Y

L

A

G

G

M

L

D

N

C

A

I

V

Y

Y

H

L

A

A

F

F

R

E

V

I

R

N

P

P

E

E

N

E

L

L

R

K

K

K

A

A

I

F

L

E

G

G

A

F

E

K

A

A

M

L

G

K

F

V

G

K

G

G

L

I

N

N

L

V

T

T

V

V

P

P

L

F

K

K

E

E

A

I

L

I

K

P

-

L

L

L

D

D

F

Y

I

V

R

-

P

-

D

E

P
x
D

L

T

A

A

E

K

R

E

I

I

G

G

A

A

V

V

N
|
N

T

T

V

V

V

K

F

F

S

-

E

E

T

N

G

G

E

K

I

A

R

Y

G

G

Y

Y

N

N

T

T

D
|
D

G

W

L

I

G

G

A

F

R

L

Q

K

A

S

L

L

L

K

E

S

A

L

A

I

V

P

E

E

I

V

R

K

G

E

S

K

K

S

V

I

V

L

V

V

A

L

G
|
G

A
|
A

G
|
G

A
|
A

A

S

R

R

A

A

V

V

A

I

F

Y

Q

A

L

L

A

V

A

K

D

E

G

G

A

A

E

K

I

V

T

F

V

L

V

W

N

N

R

R

T

T

E

K

E

E

R

K

A

A

V

I

E

K

L

L

A

A

K

Q

D

-

V

-

A

-

S

K

L

F

P

P

G

L

K

E

I

V

N

-

G

-

T

-

G

-

L

V

S

N

G

S

L

P

K

E

E

E

L

V

L

I

R

D

D

K

A

V

D

Q

I

V

L

I

I

V

N

N

T

T

T

S

L

V

G

G

M

L

H

K

P

-

N

D

T

K

D

D

T

P

T

E

I

I

A

F

T

N

A

Y

E

D

E

L

L

I

H

K

S

K

G

D

L

H

T

V

V

V

F

V

D

D

I
|
I

V

I

Y
|
Y

N

K

P

-

L

-

E

E

T

T

R

K

L

L

K

K

E

K

A

A

K

K

V

E

A

K

G

G

A

A

K

K

T

L

V

F

S

D

G
|
G

V

L

L

P

M

M

L

L

V

L

Y

W

Q
|
Q

G

G

A

I

E

E

A

A

F

F

K

K

L

I

W

W

T

N

G

G

V

C

E

E

A

V

P

P

A

Y

E

S

L

V

M

A

K

E

K

R

T

S

V

V

SLS 19:21 (= SLS 15:17) binding shikimate
D82 (≠ P79) binding NADP(+)
N91 (= N88) binding shikimate
D106 (= D104) binding shikimate
GAGGA 130:134 (= GAGGA 128:132) binding NADP(+)
I214 (= I222) binding NADP(+)
Y216 (= Y224) binding shikimate
G235 (= G245) binding NADP(+)
Q242 (= Q252) binding shikimate

3tnlA 1.45 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with shikimate and NAD.
39% identity, 97% coverage: 4:275/280 of query aligns to 12:288/288 of 3tnlA

query
sites
3tnlA

V

L

F

I

G

G

V

L

F

I

G

A

D

T

P

P

V

I

G

R

H

H

S
|
S

L

L

S
|
S

P

P

A

T

M

M

H

H

N

N

S

E

A

A

F

F

S

A

A

K

L

L

G

G

M

L

D

D

C

Y

I

V

Y

Y

H

L

A

A

F

F

R

E

V

V

R

G

P

D

E

K

N

E

L

L

R

K

K

D

A

V

I

V

L

Q

G

G

A

F

E

R

A

A

M

M

G

N

F

L

G

R

G

G

L

W

N
|
N

L

V

T
x
S

V
x
M

P

P

L

N

K
|
K

E

T

E

N

A

I

L

H

K

K

-

Y

L

L

D

D

F

-

I

-

R

K

P

L

D

S

P

P

L

A

A

A

E

E

R

L

I

V

G

G

A

A

V

V

N
|
N

T

T

V

V

F

-

S

N

E

D

T

D

G

G

E

V

I

L

R

T

G

G

Y

H

N

I

T

T

D
|
D

G

G

L

T

G

G

A

Y

R

M

Q

R

A

A

L

L

L

K

E

E

A

A

A

G

V

H

E

D

I

I

R

I

G

G

S

K

K

K

V

M

V

T

V

I

A

C

G
|
G

A
|
A

G
|
G

A
|
A

A

A

R

T

A

A

V

I

A

C

F

I

Q

Q

L

A

A

A

A

L

D

D

G

G

A

V

-

K

E

E

I

I

T

S

V

I

V

F

N
|
N

R
|
R

T

K

E
x
D

-

D

-
x
F

-

Y

-

A

-

N

-

A

E

E

R

K

A

T

V

V

E

E

L

K

-

I

-

N

A

S

K

K

D

T

V

D

A

C

A

K

A

A

S

Q

L

L

P

-

G

-

K

-

I

F

N

D

G

I

T

E

G

D

L

H

S

E

G

Q

L

L

K

R

E

K

L

E

L

I

R

A

D

E

A

S

D

V

I

I

L

F

I

T

N

N

T

A

T
|
T

T

G

L
x
V

G

G

M
|
M

H

K

P

P

-
x
F

N

E

T

G

D

E

T

T

T

L

I

L

A

P

T

S

A

A

E

D

E

M

L

L

H

R

S

P

G

E

L

L

T

I

V

V

F

S

D

D

I
x
V

V

V

Y
|
Y

N

K

P

P

L

T

E

K

T

T

R

R

L

L

K

E

E

I

A

A

K

E

V

E

A

Q

G

G

A

C

K

Q

T

T

V

L

S

N

G

G

V

L

L

G

M
|
M

L
x
M

V

L

Y

W

Q
|
Q

G

G

A

A

E

K

A

A

F

F

K

E

L

I

W

W

T

T

G

H

V

K

E

E

A

M

P

P

A

V

E

D

L

Y

M

I

K

K

K

E

T

I

V

L

L

F

binding nicotinamide-adenine-dinucleotide: M71 (≠ V63), G134 (= G128), A135 (= A129), G136 (= G130), G137 (= G131), A138 (= A132), N158 (= N151), R159 (= R152), D161 (≠ E154), F163 (vs. gap), T207 (= T195), V209 (≠ L197), M211 (= M199), F214 (vs. gap), V235 (≠ I222), Y237 (= Y224), M261 (= M248), M262 (≠ L249)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S23 (= S15), S25 (= S17), N68 (= N60), S70 (≠ T62), K74 (= K66), N95 (= N88), D110 (= D104), Q265 (= Q252)

3tozA 2.2 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with NAD.
38% identity, 97% coverage: 4:275/280 of query aligns to 15:291/291 of 3tozA

query
sites
3tozA

V

L

F

I

G

G

V

L

F

I

G

A

D

T

P

P

V

I

G

R

H

H

S

S

L

L

S

S

P

P

A

T

M

M

H

H

N

N

S

E

A

A

F

F

S

A

A

K

L

L

G

G

M

L

D

D

C

Y

I

V

Y

Y

H

L

A

A

F

F

R

E

V

V

R

G

P

D

E

K

N

E

L

L

R

K

K

D

A

V

I

V

L

Q

G

G

A

F

E

R

A

A

M

M

G

N

F

L

G

R

G

G

L

W

N

N

L

V

T

S

V

M

P

P

L

N

K

K

E

T

E

N

A

I

L

H

K

K

-

Y

L

L

D

D

F

-

I

-

R

K

P

L

D

S

P

P

L

A

A

A

E

E

R

L

I

V

G

G

A

A

V

V

N

N

T

T

V

V

F

-

S

N

E

D

T

D

G

G

E

V

I

L

R

T

G

G

Y

H

N

I

T

T

D

D

G

G

L

T

G

G

A

Y

R

M

Q

R

A

A

L

L

L

K

E

E

A

A

A

G

V

H

E

D

I

I

R

I

G

G

S

K

K

K

V

M

V

T

V

I

A

C

G
|
G

A
|
A

G
|
G

A
|
A

A

A

R

T

A

A

V

I

A

C

F

I

Q

Q

L

A

A

A

A

L

D

D

G

G

A

V

-

K

E

E

I

I

T

S

V

I

V

F

N
|
N

R
|
R

T

K

E
x
D

E

D

R
x
F

A

Y

V

A

E

N

L

A

A

E

K

K

D

T

V

V

A

E

A

K

A

I

S

N

L

S

P

K

G

T

K

D

I

C

N

K

G

A

T

Q

G

L

L

F

S

D

-

I

-

E

-

D

-

H

-

E

G

Q

L

L

K

R

E

K

L

E

L

I

R

A

D

E

A

S

D

V

I

I

L

F

I

T

N

N

T

A

T
|
T

T
x
G

L
x
V

G

G

M
|
M

H

K

P

P

-
x
F

N

E

T

G

D

E

T

T

T

L

I

L

A

P

T

S

A

A

E

D

E

M

L

L

H

R

S

P

G

E

L

L

T

I

V

V

F

S

D

D

I
x
V

V

V

Y
|
Y

N

K

P

P

L

T

E

K

T

T

R

R

L

L

K

E

E

I

A

A

K

E

V

E

A

Q

G

G

A

C

K

Q

T

T

V

L

S

N

G
|
G

V

L

L

G

M
|
M

L
x
M

V

L

Y

W

Q

Q

G

G

A

A

E

K

A

A

F

F

K

E

L

I

W

W

T

T

G

H

V

K

E

E

A

M

P

P

A

V

E

D

L

Y

M

I

K

K

K

E

T

I

V

L

L

F

binding nicotinamide-adenine-dinucleotide: G137 (= G128), A138 (= A129), G139 (= G130), G140 (= G131), A141 (= A132), N161 (= N151), R162 (= R152), D164 (≠ E154), F166 (≠ R156), T210 (= T195), G211 (≠ T196), V212 (≠ L197), M214 (= M199), F217 (vs. gap), V238 (≠ I222), Y240 (= Y224), G261 (= G245), M264 (= M248), M265 (≠ L249)

Q8Y9N5 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)
38% identity, 97% coverage: 4:275/280 of query aligns to 15:291/291 of Q8Y9N5

query
sites
Q8Y9N5

V

L

F

I

G

G

V

L

F

I

G

A

D

T

P

P

V

I

G

R

H

H

S
|
S

L
|
L

S
|
S

P

P

A

T

M

M

H

H

N

N

S

E

A

A

F

F

S

A

A

K

L

L

G

G

M

L

D

D

C

Y

I

V

Y

Y

H

L

A

A

F

F

R

E

V

V

R

G

P

D

E

K

N

E

L

L

R

K

K

D

A

V

I

V

L

Q

G

G

A

F

E

R

A

A

M

M

G

N

F

L

G

R

G

G

L

W

N

N

L

V

T

S

V

M

P

P

L

N

K

K

E

T

E

N

A

I

L

H

K

K

-

Y

L

L

D

D

F

-

I

-

R

K

P

L

D

S

P

P

L

A

A

A

E

E

R

L

I

V

G

G

A

A

V

V

N

N

T

T

V

V

F

-

S

N

E

D

T

D

G

G

E

V

I

L

R

T

G

G

Y

H

N

I

T

T

D

D

G

G

L

T

G

G

A

Y

R

M

Q

R

A

A

L

L

L

K

E

E

A

A

A

G

V

H

E

D

I

I

R

I

G

G

S

K

K

K

V

M

V

T

V

I

A

C

G

G

A

A

G

G

A

A

R

T

A

A

V

I

A

C

F

I

Q

Q

L

A

A

A

A

L

D

D

G

G

A

V

-

K

E

E

I

I

T

S

V

I

V

F

N
|
N

R
|
R

T
x
K

E
x
D

E

D

R

F

A

Y

V

A

E

N

L

A

A

E

K

K

D

T

V

V

A

E

A

K

A

I

S

N

L

S

P

K

G

T

K

D

I

C

N

K

G

A

T

Q

G

L

L

F

S

D

-

I

-

E

-

D

-

H

-

E

G

Q

L

L

K

R

E

K

L

E

L

I

R

A

D

E

A

S

D

V

I

I

L

F

I

T

N

N

T

A

T

T

T

G

L

V

G

G

M
|
M

H

K

P

P

-

F

N

E

T

G

D

E

T

T

T

L

I

L

A

P

T

S

A

A

E

D

E

M

L

L

H

R

S

P

G

E

L

L

T

I

V

V

F

S

D

D

I

V

V

V

Y

Y

N

K

P

P

L

T

E

K

T

T

R

R

L

L

K

E

E

I

A

A

K

E

V

E

A

Q

G

G

A

C

K

Q

T

T

V

L

S

N

G

G

V

L

L

G

M

M

L

M

V

L

Y

W

Q

Q

G

G

A

A

E

K

A

A

F

F

K

E

L

I

W

W

T

T

G

H

V

K

E

E

A

M

P

P

A

V

E

D

L

Y

M

I

K

K

K

E

T

I

V

L

L

F

SLS 26:28 (= SLS 15:17) binding shikimate
NRKD 161:164 (≠ NRTE 151:154) binding NAD(+)
M214 (= M199) binding NADP(+)

1o9bA Quinate/shikimate dehydrogenase ydib complexed with nadh (see paper)
38% identity, 97% coverage: 3:274/280 of query aligns to 2:278/280 of 1o9bA

query
sites
1o9bA

R

E

V

L

F

I

G

G

V

L

F

M

G

A

D

Y

P

P

V

I

G

R

H

H

S

S

L

L

S

S

P

P

A

E

M

M

H

Q

N

N

S

K

A

A

F

L

S

E

A

K

L

A

G

G

M

L

D

P

C

F

I

T

Y

Y

H

M

A

A

F

F

R

E

V

V

R

D

P

N

E

D

N

S

L

F

R

P

K

G

A

A

I

I

L

E

G

G

A

L

E

K

A

A

M

L

G

K

F

M

G

R

G

G

L

T

N

G

L

V

T

S

V

M

P

P

L

N

K

K

E

Q

E

-

A

-

L

L

K

A

L

C

D

E

F

Y

I

V

R

D

P

E

-

L

D

T

P

P

L

A

A

A

E

K

R

L

I

V

G

G

A

A

V

I

N

N

T

T

V

I

V

V

F

-

S

N

E

D

T

D

G

G

E

Y

I

L

R

R

G

G

Y

Y

N

N

T

T

D

D

G

G

L

T

G

G

A

H

R

I

Q

R

A

A

L

I

L

K

E

E

A

S

A

G

V

F

E

D

I

I

R

K

G

G

S

K

K

T

V

M

V

V

V

L

A

L

G

G

A
|
A

G
|
G

A
|
A

A

S

R

T

A

A

V

I

A

G

F

A

Q

Q

L

G

A

A

A

I

D

E

G

G

-

L

A

K

E

E

I

I

T

K

V

L

V

F

N

N

R
|
R

T

R

E

D

E

E

-
x
F

-

F

-

D

R

K

A

A

V

L

E

A

L

F

A

A

K

Q

D

R

V

V

A

N

A

E

A

N

S

T

L

-

P

D

G

C

K

V

I

V

N

T

G

V

T

T

G

D

L

L

S

A

-

D

-

Q

G

A

L

F

K

A

E

E

L

A

L

L

R

A

D

S

A

A

D

D

I

I

L

L

I

T

N

N

T

G

T

T

T
x
K

L
x
V

G

G

M
|
M

H

K

P

P

-

L

N

E

T

N

D

E

T

S

T

L

I

V

A

N

T

D

A

I

E

S

E

L

L

L

H

H

S

P

G

G

L

L

T

L

V

V

F

T

D

E

I
x
C

V

V

Y
|
Y

N

N

P

P

L

H

E

M

T

T

R

K

L

L

K

Q

E

Q

A

A

K

Q

V

Q

A

A

G

G

A

C

K

K

T

T

V

I

S

D

G

G

V

Y

L

G

M
|
M

L
|
L

V

L

Y

W

Q

Q

G

G

A

A

E

E

A

Q

F

F

K

T

L

L

W

W

T

T

G

G

V

K

E

D

A

F

P

P

A

L

E

E

L

Y

M

V

K

K

K

Q

T

V

V

M

binding 1,4-dihydronicotinamide adenine dinucleotide: A126 (= A129), G127 (= G130), G128 (= G131), A129 (= A132), R150 (= R152), F154 (vs. gap), K199 (≠ T196), V200 (≠ L197), M202 (= M199), C226 (≠ I222), Y228 (= Y224), M252 (= M248), L253 (= L249)

1npdB X-ray structure of shikimate dehydrogenase complexed with NAD+ from e.Coli (ydib) northeast structural genomics research consortium (nesg) target er24 (see paper)
38% identity, 97% coverage: 3:274/280 of query aligns to 8:284/288 of 1npdB

query
sites
1npdB

R

E

V

L

F

I

G

G

V

L

F

M

G

A

D

Y

P

P

V

I

G

R

H

H

S

S

L

L

S

S

P

P

A

E

M

M

H

Q

N

N

S

K

A

A

F

L

S

E

A

K

L

A

G

G

M

L

D

P

C

F

I

T

Y

Y

H

M

A

A

F

F

R

E

V

V

R

D

P

N

E

D

N

S

L

F

R

P

K

G

A

A

I

I

L

E

G

G

A

L

E

K

A

A

M

L

G

K

F

M

G

R

G

G

L

T

N

G

L

V

T

S

V

M

P

P

L

N

K

K

E

Q

E

-

A

-

L

L

K

A

L

C

D

E

F

Y

I

V

R

D

P

E

-

L

D

T

P

P

L

A

A

A

E

K

R

L

I

V

G

G

A

A

V

I

N

N

T

T

V

I

V

V

F

-

S

N

E

D

T

D

G

G

E

Y

I

L

R

R

G

G

Y

Y

N

N

T

T

D

D

G

G

L

T

G

G

A

H

R

I

Q

R

A

A

L

I

L

K

E

E

A

S

A

G

V

F

E

D

I

I

R

K

G

G

S

K

K

T

V

M

V

V

V

L

A

L

G

G

A
|
A

G
|
G

A
|
A

A

S

R

T

A

A

V

I

A

G

F

A

Q

Q

L

G

A

A

A

I

D

E

G

G

-

L

A

K

E

E

I

I

T

K

V

L

V

F

N
|
N

R
|
R

T

R

E
x
D

E

E

-
x
F

-

F

-

D

R

K

A

A

V

L

E

A

L

F

A

A

K

Q

D

R

V

V

A

N

A

E

A

N

S

T

L

-

P

D

G

C

K

V

I

V

N

T

G

V

T

T

G

D

L

L

S

A

-

D

-

Q

G

A

L

F

K

A

E

E

L

A

L

L

R

A

D

S

A

A

D

D

I

I

L

L

I

T

N

N

T

G

T
|
T

T
x
K

L
x
V

G

G

M
|
M

H

K

P

P

-

L

N

E

T

N

D

E

T

S

T

L

I

V

A

N

T

D

A

I

E

S

E

L

L

L

H

H

S

P

G

G

L

L

T

L

V

V

F

T

D

E

I
x
C

V

V

Y

Y

N

N

P

P

L

H

E

M

T

T

R

K

L

L

K

Q

E

Q

A

A

K

Q

V

Q

A

A

G

G

A

C

K

K

T

T

V

I

S

D

G

G

V

Y

L

G

M
|
M

L
|
L

V

L

Y

W

Q

Q

G

G

A

A

E

E

A

Q

F

F

K

T

L

L

W

W

T

T

G

G

V

K

E

D

A

F

P

P

A

L

E

E

L

Y

M

V

K

K

K

Q

T

V

V

M

binding nicotinamide-adenine-dinucleotide: A132 (= A129), G133 (= G130), G134 (= G131), A135 (= A132), N155 (= N151), R156 (= R152), D158 (≠ E154), F160 (vs. gap), T204 (= T195), K205 (≠ T196), V206 (≠ L197), M208 (= M199), C232 (≠ I222), M258 (= M248), L259 (= L249)

P0A6D5 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Escherichia coli (strain K12) (see 4 papers)
38% identity, 97% coverage: 3:274/280 of query aligns to 8:284/288 of P0A6D5

query
sites
P0A6D5

R

E

V

L

F

I

G

G

V

L

F

M

G

A

D

Y

P

P

V

I

G

R

H

H

S

S

L

L

S
|
S

P

P

A

E

M

M

H

Q

N

N

S

K

A

A

F

L

S

E

A

K

L

A

G

G

M

L

D

P

C

F

I

T

Y
|
Y

H

M

A

A

F

F

R

E

V

V

R

D

P

N

E

D

N

S

L

F

R

P

K

G

A

A

I

I

L

E

G

G

A

L

E

K

A

A

M

L

G

K

F

M

G

R

G

G

L

T

N

G

L

V

T
x
S

V

M

P

P

L

N

K
|
K

E

Q

E

-

A

-

L

L

K

A

L

C

D

E

F

Y

I

V

R

D

P

E

-

L

D

T

P

P

L

A

A

A

E

K

R

L

I

V

G

G

A

A

V

I

N
|
N

T

T

V

I

V

V

F

-

S

N

E

D

T

D

G

G

E

Y

I

L

R

R

G

G

Y

Y

N

N

T
|
T

D
|
D

G

G

L

T

G

G

A

H

R

I

Q

R

A

A

L

I

L

K

E

E

A

S

A

G

V

F

E

D

I

I

R

K

G

G

S

K

K

T

V

M

V

V

V

L

A

L

G

G

A
|
A

G
|
G

A
|
A

A

S

R

T

A

A

V

I

A

G

F

A

Q

Q

L

G

A

A

A

I

D

E

G

G

-

L

A

K

E

E

I

I

T

K

V

L

V

F

N
|
N

R
|
R

T
x
R

E
x
D

E

E

-

F

-

D

R

K

A

A

V

L

E

A

L

F

A

A

K

Q

D

R

V

V

A

N

A

E

A

N

S

T

L

-

P

D

G

C

K

V

I

V

N

T

G

V

T

T

G

D

L

L

S

A

-

D

-

Q

G

A

L

F

K

A

E

E

L

A

L

L

R

A

D

S

A

A

D

D

I

I

L

L

I

T

N

N

T

G

T

T

T
x
K

L

V

G

G

M

M

H

K

P

P

-

L

N

E

T

N

D

E

T

S

T

L

I

V

A

N

T

D

A

I

E

S

E

L

L

L

H

H

S

P

G

G

L

L

T

L

V

V

F

T

D

E

I
x
C

V
|
V

Y
|
Y

N
|
N

P

P

L

H

E

M

T

T

R

K

L

L

K

Q

E

Q

A

A

K

Q

V

Q

A

A

G

G

A

C

K

K

T

T

V

I

S

D

G
|
G

V

Y

L

G

M

M

L

L

V

L

Y

W

Q
|
Q

G

G

A

A

E

E

A

Q

F

F

K

T

L

L

W

W

T

T

G

G

V

K

E

D

A

F

P

P

A

L

E

E

L

Y

M

V

K

K

K

Q

T

V

V

M

S22 (= S17) mutation to A: Kinetically unchanged as compared with the wild-type.
Y39 (= Y34) mutation to F: Kinetically unchanged as compared with the wild-type.
S67 (≠ T62) mutation to A: Reduces activity towards quinate about 6-fold, but has a little effect on shikimate conversion.
K71 (= K66) 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 (= N88) mutation to A: Alters protein structure. Loss of activity for both substrates.
T106 (= T103) 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 (= D104) mutation to A: Loss of activity towards quinate. 20000-fold decrease in the affinity for shikimate.
AGGA 132:135 (= AGGA 129:132) binding NAD(+)
NRRD 155:158 (≠ NRTE 151:154) binding NAD(+)
K205 (≠ T196) binding NAD(+)
CVYN 232:235 (≠ IVYN 222:225) binding NAD(+)
G255 (= G245) binding NAD(+)
Q262 (= Q252) mutation to A: 3-fold reduction in catalytic efficiency for both substrates.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
37% identity, 98% coverage: 5:279/280 of query aligns to 3:266/269 of Q5HNV1

query
sites
Q5HNV1

F

F

G

A

V

V

F

I

G

G

D

N

P

P

V

I

G

S

H

H

S
|
S

L
|
L

S
|
S

P

P

A

L

M

M

H

H

N

H

S

A

A

N

F

F

S

Q

A

S

L

L

G

N

M

L

D

E

C

N

I

T

Y

Y

H

E

A

A

F

I

R

N

V

V

R

P

P

V

E

N

N

Q

L

F

R

Q

-

D

-

I

K

K

A

K

I

I

L

I

G

S

A

E

E

K

A

S

M

I

G

D

F

-

G

-

G

G

L

F

N

N

L

V

T
|
T

V

I

P

P

L

H

K

K

E

E

E

R

A

I

L

I

K

P

-

Y

L

L

D

D

F

D

I

I

R

N

P

E

D

Q

P

-

L

-

A

A

E

K

R

S

I

V

G

G

A

A

V

V

N
|
N

T

T

V

V

V

L

F

V

S

K

E

D

T

-

G

G

E

K

I

W

R

I

G

G

Y

Y

N

N

T

T

D
|
D

G

G

L

I

G

G

A

Y

R

V

Q

N

A

G

L

L

L

K

E

Q

A

I

A

Y

V

E

E

G

I

I

R

E

G

D

S

A

K

Y

V

I

V

L

V

I

A

L

G

G

A

A

G

G

A

A

A

S

R

K

A

G

V

I

A

A

F

N

Q

E

L

L

A

Y

A

K

D

I

-

V

G

R

A

P

E

T

I

L

T

T

V

V

V

A

N

N

R

R

T

T

E

M

E

S

R

R

A

F

V

N

E

N

L

W

A

S

K

L

D

N

V

-

A

-

S

-

L

-

P

-

G

-

K

-

I

I

N

N

G

K

T

I

G

N

L

L

S

S

G

H

L

A

K

E

E

S

L

H

L

L

R

D

D

E

A

F

D

D

I

I

L

I

I

I

N

N

T

T

T

P

L

A

G

G

M

M

H

N

P

G

N

N

T

T

D

D

T

S

T

V

I

I

A

S

T

-

A

L

E

N

E

R

L

L

H

A

S

S

G

H

L

T

T

L

V

V

F

S

D

D

I

I

V

V

Y
|
Y

N

N

P

P

L

Y

E

K

T

T

R

P

L

I

L

L

K

I

E

E

A

A

K

E

V

Q

A

R

G

G

A

N

K

P

T

I

V

Y

S

N

G

G

V

L

L

D

M

M

L

F

V

V

Y

H

Q
|
Q

G

G

A

A

E

E

A

S

F

F

K

K

L

I

W

W

T

T

G

N

V

L

E

E

A

P

P

D

A

I

E

K

L

A

M

M

K

K

K

N

T

I

V

V

L

I

E

Q

A

K

L

L

Q

K

SLS 13:15 (= SLS 15:17) binding shikimate
T60 (= T62) binding shikimate
N85 (= N88) binding shikimate
D100 (= D104) binding shikimate
Y211 (= Y224) 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 (= Q252) binding shikimate

2gptA Crystal structure of arabidopsis dehydroquinate dehydratase-shikimate dehydrogenase in complex with tartrate and shikimate (see paper)
41% identity, 95% coverage: 3:269/280 of query aligns to 235:481/498 of 2gptA

query
sites
2gptA

R

K

V

V

F

Y

G

G

V
x
I

F

I

G

G

D

K

P

P

V

V

G

S

H

H

S
|
S

L

K

S
|
S

P

P

A

I

M

V

H

H

N

N

S

Q

A

A

F

F

S

K

A

S

L

V

G

D

M

F

D

N

C

G

I

V

Y

Y

H

V

A

H

F

L

R

L

V

V

R

-

P

-

E

D

N

N

L

L

R

V

K

S

A

F

I

L

L

Q

G

A

A

Y

E

S

A

S

M

S

G

D

F

F

G

A

G

G

L

F

N

S

L

C

T
|
T

V

I

P

P

L

H

K
|
K

E

E

E

A

A

A

L

L

K

Q

L

C

D

-

F

C

I

D

R

E

P

V

D

D

P

P

L

L

A

A

E

K

R

S

I

I

G

G

A

A

V

V

N
|
N

T

T

V

I

V

L

F

R

S

R

E

K

T

S

-

D

G

G

E

K

I

L

R

L

G

G

Y

Y

N

N

T

T

D
|
D

G

C

L

I

G

G

A

S

R

I

Q

S

A

A

L

I

L

E

E

D

A

-

V

-

E

-

I

-

R

-

G

G

S

L

K

T

V

V

A

I

G

G

A

A

G

G

A

A

A

G

R

K

A

A

V

L

A

A

F

Y

Q

G

L

A

A

K

A

E

D

K

G

G

A

A

E

K

I

V

T

V

V

I

V

A

N

N

R

R

T

T

E

Y

E

E

R

R

A

-

V

-

E

E

L

L

A

A

K

E

D

A

V

I

A

G

A

A

A

L

S

S

L

L

P

-

G

-

K

-

I

-

N

-

G

-

T

T

G

D

L

L

S

D

G

N

L

Y

K

E

E

-

L

-

R

-

D

D

A

G

D

M

I

V

L

L

I

A

N

N

T

T

T

S

L

M

G

G

M

M

H

Q

P

P

N

N

T

V

D

E

T

E

T

T

I

P

A

I

T

S

A

K

E

D

E

A

L

L

H

K

S

H

G

Y

L

A

T

L

V

V

F

F

D

D

I

A

V

V

Y
|
Y

N

T

P

P

L

R

E

I

T

T

R

R

L

L

K

R

E

E

A

A

K

E

V

E

A

S

G

G

A

A

K

I

T

T

V

V

S

S

G

G

V

S

L

E

M

M

L

F

V

V

Y

R

Q
|
Q

G

A

A

Y

E

E

A
x
Q

F

F

K

E

L

I

W

F

T

T

G

G

V

L

E

P

A

A

P

P

A

K

E

E

L

L

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: I239 (≠ V7), S247 (= S15), S249 (= S17), T292 (= T62), K296 (= K66), N317 (= N88), D334 (= D104), Y436 (= Y224), Q464 (= Q252), Q468 (≠ A256)

Sites not aligning to the query:

active site: 70, 125, 152

2o7qA Crystal structure of the a. Thaliana dhq-dehydroshikimate-sdh- shikimate-NADP(h)
38% identity, 95% coverage: 3:269/280 of query aligns to 235:484/501 of 2o7qA

query
sites
2o7qA

R

K

V

V

F

Y

G

G

V
x
I

F

I

G

G

D

K

P

P

V

V

G

S

H

H

S
|
S

L

K

S
|
S

P

P

A

I

M

V

H

H

N

N

S

Q

A

A

F

F

S

K

A

S

L

V

G

D

M

F

D

N

C

G

I

V

Y

Y

H

V

A

H

F

L

R

L

V

V

R

-

P

-

E

D

N

N

L

L

R

V

K

S

A

F

I

L

L

Q

G

A

A

Y

E

S

A

S

M

S

G

D

F

F

G

A

G

G

L

F

N

S

L

C

T
|
T

V

I

P

P

L

H

K
|
K

E

E

E

A

A

A

L

L

K

Q

L

C

D

-

F

C

I

D

R

E

P

V

D

D

P

P

L

L

A

A

E

K

R

S

I

I

G

G

A

A

V

V

N

N

T

T

V

I

V

L

F

R

S

R

E

K

T

S

-

D

G

G

E

K

I

L

R

L

G

G

Y

Y

N

N

T

T

D
|
D

G

C

L

I

G

G

A

S

R

I

Q

S

A

A

L

-

E

-

A

-

V

-

E

-

I

I

R

E

G

D

S

G

K

L

V

T

V

V

A

V

G

I

A

G

G

A

G

G

A

G

A

A

R

G

A

K

V

A

A

L

F

A

Q

Y

L

G

A

A

A

K

D

E

G

K

A

A

E

K

I

V

T

V

V

I

V

A

N

N

R

R

T

T

E

Y

E

E

R

R

A

A

V

L

E

E

L

L

A

A

K

E

D

A

V

I

A

G

A

K

S

A

L

L

P

-

G

-

K

-

I

-

N

-

G

-

T

-

G

S

L

L

S

T

G

D

L

L

K

D

E

N

L

Y

L

-

R

E

D

D

A

G

D

M

I

V

L

L

I

A

N

N

T

T

T

S

L

M

G

G

M

M

H

Q

P

P

N

N

T

V

D

E

T

E

T

T

I

P

A

I

T

S

A

K

E

D

E

A

L

L

H

K

S

H

G

Y

L

A

T

L

V

V

F

F

D

D

I

A

V

V

Y
|
Y

N

T

P

P

L

R

E

I

T

T

R

R

L

L

K

R

E

E

A

A

K

E

V

E

A

S

G

G

A

A

K

I

T

T

V

V

S

S

G

G

V

S

L

E

M

M

L
x
F

V

V

Y

R

Q
|
Q

G

A

A

Y

E

E

A
x
Q

F

F

K

E

L

I

W

F

T

T

G

G

V

L

E

P

A

A

P

P

A

K

E

E

L

L

binding 3-dehydroshikimate: I239 (≠ V7), S247 (= S15), S249 (= S17), T292 (= T62), K296 (= K66), D334 (= D104), Y439 (= Y224), F464 (≠ L249), Q467 (= Q252), Q471 (≠ A256)

Sites not aligning to the query:

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

2o7sA Crystal structure of the a. Thaliana dhq-dehydroshikimate-sdh- shikimate-NADP(h)
40% identity, 95% coverage: 3:269/280 of query aligns to 235:483/500 of 2o7sA

query
sites
2o7sA

R

K

V

V

F

Y

G

G

V
x
I

F

I

G

G

D

K

P

P

V

V

G

S

H

H

S
|
S

L

K

S
|
S

P

P

A

I

M

V

H

H

N

N

S

Q

A

A

F

F

S

K

A

S

L

V

G

D

M

F

D

N

C

G

I

V

Y

Y

H

V

A

H

F

L

R

L

V

V

R

-

P

-

E

D

N

N

L

L

R

V

K

S

A

F

I

L

L

Q

G

A

A

Y

E

S

A

S

M

S

G

D

F

F

G

A

G

G

L

F

N

S

L

C

T
|
T

V
x
I

P
|
P

L

H

K
|
K

E

E

E

A

A

A

L

L

K

Q

L

C

D

-

F

C

I

D

R

E

P

V

D

D

P

P

L

L

A

A

E

K

R

S

I

I

G

G

A

A

V

V

N
|
N

T

T

V

I

V

L

F

R

S

R

E

K

T

S

-

D

G

G

E

K

I

L

R

L

G

G

Y

Y

N

N

T

T

D
|
D

G

C

L

I

G

G

A

S

R

I

Q

S

A

A

L

I

L

E

E

D

A

-

V

-

E

-

I

-

R

-

G

G

S

L

K

T

V

V

A

I

G

G

A

A

G
|
G

A
|
A

A

G

R

K

A

A

V

L

A

A

F

Y

Q

G

L

A

A

K

A

E

D

K

G

G

A

A

E

-

I

V

T

V

V

I

V

A

N
|
N

R
|
R

T
|
T

E

Y

E

E

R
|
R

A

A

V

L

E

E

L

L

A

A

K

E

D

A

V

I

A

G

A

-

S

-

L

-

P

-

G

G

K

A

I

L

N

S

G

L

T

T

G

D

L

L

S

D

G

N

L

Y

K

E

E

-

L

-

R

-

D

D

A

G

D

M

I

V

L

L

I

A

N

N

T

T

T
|
T

T
x
S

L
x
M

G

G

M

M

H

Q

P

P

N

N

T

V

D

E

T

E

T

T

I

P

A

I

T

S

A

K

E

D

E

A

L

L

H

K

S

H

G

Y

L

A

T

L

V

V

F

F

D

D

I
x
A

V

V

Y
|
Y

N

T

P

P

L

R

E

I

T

T

R

R

L

L

K

R

E

E

A

A

K

E

V

E

A

S

G

G

A

A

K

I

T

T

V

V

S

S

G

G

V

S

L

E

M
|
M

L
x
F

V

V

Y

R

Q
|
Q

G

A

A

Y

E

E

A
x
Q

F

F

K

E

L

I

W

F

T

T

G

G

V

L

E

P

A

A

P

P

A

K

E

E

L

L

binding 3-dehydroshikimate: I239 (≠ V7), S247 (= S15), S249 (= S17), T292 (= T62), K296 (= K66), N317 (= N88), D334 (= D104), Y438 (= Y224), Q466 (= Q252), Q470 (≠ A256)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I293 (≠ V63), P294 (= P64), K296 (= K66), D334 (= D104), G354 (= G130), G355 (= G131), A356 (= A132), N374 (= N151), R375 (= R152), T376 (= T153), R379 (= R156), T409 (= T195), S410 (≠ T196), M411 (≠ L197), A436 (≠ I222), M462 (= M248), F463 (≠ L249)

Sites not aligning to the query:

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

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)
38% identity, 95% coverage: 3:269/280 of query aligns to 324:595/603 of Q9SQT8

query
sites
Q9SQT8

R

K

V

V

F

Y

G

G

V

I

F

I

G

G

D

K

P

P

V

V

G

S

H

H

S
|
S

L

K

S
|
S

P

P

A

I

M

V

H

H

N

N

S

Q

A

A

F

F

S

K

A

S

L

V

G

D

M

F

D

N

C

G

I

V

Y

Y

H

V

A

H

F

L

R

L

V

V

R

-

P

-

E

D

N

N

L

L

R

V

K

S

A

F

I

L

L

Q

G

A

A

Y

E

S

A

S

M

S

G

D

F

F

G

A

G

G

L

F

N

S

L

C

T
|
T

V

I

P

P

L

H

K
|
K

E

E

E

A

A

A

L

L

K

Q

L

C

-

C

D

D

F

E

I

V

R

-

P

-

D

D

P

P

L

L

A

A

E

K

R

S

I

I

G

G

A

A

V

V

N
|
N

T

T

V

I

V

L

F

R

S

R

E

K

T

S

-

D

G

G

E

K

I

L

R

L

G

G

Y

Y

N

N

T

T

D
|
D

G

C

L

I

G

G

A

S

R

I

Q

S

A

A

L

I

L

E

E

D

-

G

-

L

-

R

-

S

-

G

-

D

-

P

-

S

-

V

-

P

-

S

A

S

V

S

E

P

I

L

R

A

G

S

S

K

K

T

V

V

A

I

G

G

A
|
A

G

G

G
|
G

A
|
A

A

G

R

K

A

A

V

L

A

A

F

Y

Q

G

L

A

A

K

A

E

D

K

G

G

A

A

E

K

I

V

T

V

V

I

V

A

N
|
N

R

R

T
|
T

E

Y

E

E

R
|
R

A

A

V

L

E

E

L

L

A

A

K

E

D

A

V

I

A

G

A

K

S

A

L

L

P

-

G

-

K

-

I

-

N

S

G

L

T

T

G

D

L

L

S

D

G

N

L

Y

K

H

E

P

L

-

R

E

D

D

A

G

D

M

I

V

L

L

I

A

N

N

T

T

T

S

L

M

G

G

M
|
M

H

Q

P

P

N

N

T

V

D

E

T

E

T

T

I

P

A

I

T

S

A

K

E

D

E

A

L

L

H

K

S

H

G

Y

L

A

T

L

V

V

F

F

D

D

I
x
A

V

V

Y
|
Y

N

T

P

P

L

R

E

I

T

T

R

R

L

L

K

R

E

E

A

A

K

E

V

E

A

S

G

G

A

A

K

I

T

T

V

V

S

S

G
|
G

V

S

L

E

M

M

L

F

V

V

Y

R

Q
|
Q

G

A

A

Y

E

E

A
x
Q

F

F

K

E

L

I

W

F

T

T

G

G

V

L

E

P

A

A

P

P

A

K

E

E

L

L

S336 (= S15) binding shikimate; mutation to A: 13-fold decrease in substrate affinity but almost no change in activity.
S338 (= S17) binding shikimate; mutation to A: 10-fold decrease in activity, and 9-fold decrease in substrate affinity.
T381 (= T62) binding shikimate
K385 (= K66) 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 (= N88) binding shikimate
D423 (= D104) binding shikimate; mutation to A: Loss of shikimate dehydrogenase activity.; mutation to N: Reduced shikimate dehydrogenase activity, but no change in substrate affinity.
A461 (= A129) binding NADP(+)
G463 (= G131) binding NADP(+)
A464 (= A132) binding NADP(+)
N483 (= N151) binding NADP(+)
T485 (= T153) binding NADP(+)
R488 (= R156) binding NADP(+)
M525 (= M199) binding NADP(+)
A548 (≠ I222) binding NADP(+)
Y550 (= Y224) binding shikimate; mutation Y->F,A: 100-fold decrease in activity, and 2-fold decrease in substrate affinity.
G571 (= G245) binding NADP(+)
Q578 (= Q252) binding shikimate
Q582 (≠ A256) 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

6bmqA Crystal structure of arabidopsis dehydroquinate dehydratase-shikimate dehydrogenase (t381g mutant) in complex with tartrate and shikimate (see paper)
40% identity, 95% coverage: 3:269/280 of query aligns to 235:481/498 of 6bmqA

query
sites
6bmqA

R

K

V

V

F

Y

G

G

V

I

F

I

G

G

D

K

P

P

V

V

G

S

H

H

S
|
S

L

K

S
|
S

P

P

A

I

M

V

H

H

N

N

S

Q

A

A

F

F

S

K

A

S

L

V

G

D

M

F

D

N

C

G

I

V

Y

Y

H

V

A

H

F

L

R

L

V

V

R

-

P

-

E

D

N

N

L

L

R

V

K

S

A

F

I

L

L

Q

G

A

A

Y

E

S

A

S

M

S

G

D

F

F

G

A

G

G

L

F

N

S

L
x
C

T

G

V

I

P

P

L

H

K
|
K

E

E

E

A

A

A

L

L

K

Q

L

C

D

-

F

C

I

D

R

E

P

V

D

D

P

P

L

L

A

A

E

K

R

S

I

I

G

G

A

A

V

V

N
|
N

T

T

V

I

V

L

F

R

S

R

E

K

T

S

-

D

G

G

E

K

I

L

R

L

G

G

Y

Y

N

N

T

T

D
|
D

G

C

L

I

G

G

A

S

R

I

Q

S

A

A

L

I

L

E

E

D

A

-

V

-

E

-

I

-

R

-

G

G

S

L

K

T

V

V

A

I

G

G

A

A

G

G

A

A

A

G

R

K

A

A

V

L

A

A

F

Y

Q

G

L

A

A

K

A

E

D

K

G

G

A

A

E

K

I

V

T

V

V

I

V

A

N

N

R

R

T

T

E

Y

E

E

R

R

A

-

V

-

E

E

L

L

A

A

K

E

D

A

V

I

A

G

A

A

A

L

S

S

L

L

P

-

G

-

K

-

I

-

N

-

G

-

T

T

G

D

L

L

S

D

G

N

L

Y

K

E

E

-

L

-

R

-

D

D

A

G

D

M

I

V

L

L

I

A

N

N

T

T

T

S

L

M

G

G

M

M

H

Q

P

P

N

N

T

V

D

E

T

E

T

T

I

P

A

I

T

S

A

K

E

D

E

A

L

L

H

K

S

H

G

Y

L

A

T

L

V

V

F

F

D

D

I

A

V

V

Y
|
Y

N

T

P

P

L

R

E

I

T

T

R

R

L

L

K

R

E

E

A

A

K

E

V

E

A

S

G

G

A

A

K

I

T

T

V

V

S

S

G

G

V

S

L

E

M

M

L

F

V

V

Y

R

Q
|
Q

G

A

A

Y

E

E

A

Q

F

F

K

E

L

I

W

F

T

T

G

G

V

L

E

P

A

A

P

P

A

K

E

E

L

L

binding (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid: S247 (= S15), S249 (= S17), C291 (≠ L61), K296 (= K66), N317 (= N88), D334 (= D104), Y436 (= Y224), Q464 (= Q252)

Sites not aligning to the query:

active site: 70, 125, 152

2cy0A Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP (see paper)
39% identity, 93% coverage: 5:263/280 of query aligns to 4:246/262 of 2cy0A

query
sites
2cy0A

F

F

G

A

V

V

F

L

G

G

D

H

P

P

V

V

G

A

H

H

S

S

L

L

S

S

P

P

A

A

M

M

H

H

N

A

S

F

A

A

F

L

S

E

A

S

L

L

G

G

M

L

D

E

C

G

I

S

Y

Y

H

E

A

A

F

W

R

D

V

T

R

P

P

L

E

E

N

A

L

L

R

-

K

P

A

G

I

R

L

L

G

K

A

E

E

V

A

R

M

R

G

A

F

F

G

R

G

G

L

V

N

N

L

L

T

T

V

L

P

P

L

L

K
|
K

E

E

E

A

A

A

L

L

-

A

K

H

L

L

D

D

F

W

I

V

R

S

P

P

D

E

P

-

L

-

A

A

E

Q

R

R

I

I

G

G

A

A

V

V

N

N

T

T

V

V

V

L

F

Q

S

V

E

E

T

-

G

G

E

R

I

L

R

F

G

G

Y

F

N

N

T

T

D
|
D

G

A

L

P

G

G

A

F

R

L

Q

E

A

A

L

L

L

K

E

A

A

G

V

I

E

P

I

L

R

K

G

G

S

P

K

A

V

L

V

V

V

L

A
x
G

G

A

A

G

G
|
G

G
x
A

A

G

A

R

R

A

A

V

V

A

A

F

F

-

Q

A

L

L

A

R

A

E

D

A

G

G

A

L

E

E

I

V

T

W

V

V

V

W

N
|
N

R
|
R

T
|
T

E

P

E

Q

R
|
R

A

A

V

L

E

A

L

L

A

A

K

E

D

E

V

F

A

G

A

L

A

R

S

A

L

V

P

P

G

-

K

-

I

-

N

-

G

-

T

-

G

-

L

-

S

-

G

-

L

-

K

L

E

E

L

K

L

A

R

R

D

E

A

A

D

R

I

L

L

L

I

V

N

N

T

A

T
|
T

T
x
R

L
x
V

G

G

M

L

H

E

P

D

N

P

T

S

D

A

T

S

T

P

I

L

A

P

T

A

A

E

E

L

E

F

L

P

H

E

S

E

G

G

L

A

T

A

V

V

F

-

D

D

I
x
L

V

V

Y

Y

N

R

P

P

L

L

E

W

T

T

R

R

L

F

L

L

K

R

E

E

A

A

K

K

V

A

A

K

G

G

A

L

K

K

T

V

V

Q

S

T

G

G

V

L

L

P

M

M

L
|
L

V

A

Y

W

Q

Q

G

G

A

A

E

L

A

A

F

F

K

R

L

L

W

W

T

T

G

G

V

L

active site: K64 (= K66), D100 (= D104)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G123 (≠ A127), G126 (= G130), A127 (≠ G131), N146 (= N151), R147 (= R152), T148 (= T153), R151 (= R156), T179 (= T195), R180 (≠ T196), V181 (≠ L197), L205 (≠ I222), L232 (= L249)

2ev9B Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP(h) and shikimate (see paper)
39% identity, 93% coverage: 5:263/280 of query aligns to 4:246/263 of 2ev9B

query
sites
2ev9B

F

F

G

A

V

V

F

L

G

G

D

H

P

P

V

V

G

A

H

H

S
|
S

L

L

S
|
S

P

P

A

A

M

M

H

H

N

A

S

F

A

A

F

L

S

E

A

S

L

L

G

G

M

L

D

E

C

G

I

S

Y

Y

H

E

A

A

F

W

R

D

V

T

R

P

P

L

E

E

N

A

L

L

R

-

K

P

A

G

I

R

L

L

G

K

A

E

E

V

A

R

M

R

G

A

F

F

G

R

G

G

L

V

N
|
N

L

L

T
|
T

V

L

P

P

L

L

K
|
K

E

E

E

A

A

A

L

L

-

A

K

H

L

L

D

D

F

W

I

V

R

S

P

P

D

E

P

-

L

-

A

A

E

Q

R

R

I

I

G

G

A

A

V

V

N
|
N

T

T

V

V

V

L

F

Q

S

V

E

E

T

-

G

G

E

R

I

L

R

F

G

G

Y

F

N

N

T

T

D
|
D

G

A

L

P

G

G

A

F

R

L

Q

E

A

A

L

L

L

K

E

A

A

G

V

I

E

P

I

L

R

K

G

G

S

P

K

A

V

L

V

V

V

L

A

G

G

A

A

G

G

G

G

A

A

G

A

R

R

A

A

V

V

A

A

F

F

-

Q

A

L

L

A

R

A

E

D

A

G

G

A

L

E

E

I

V

T

W

V

V

V

W

N

N

R

R

T

T

E

P

E

Q

R

R

A

A

V

L

E

A

L

L

A

A

K

E

D

E

V

F

A

G

A

L

A

R

S

A

L

V

P

P

G

-

K

-

I

-

N

-

G

-

T

-

G

-

L

-

S

-

G

-

L

-

K

L

E

E

L

K

L

A

R

R

D

E

A

A

D

R

I

L

L

L

I

V

N

N

T

A

T

T

T

R

L

V

G

G

M

L

H

E

P

D

N

P

T

S

D

A

T

S

T

P

I

L

A

P

T

A

A

E

E

L

E

F

L

P

H

E

S

E

G

G

L

A

T

A

V

V

F

-

D

D

I

L

V

V

Y

Y

N

R

P

P

L

L

E

W

T

T

R

R

L

F

L

L

K

R

E

E

A

A

K

K

V

A

A

K

G

G

A

L

K

K

T

V

V

Q

S

T

G

G

V

L

L

P

M

M

L

L

V

A

Y

W

Q
|
Q

G

G

A

A

E

L

A

A

F

F

K

R

L

L

W

W

T

T

G

G

V

L

active site: K64 (= K66), D100 (= D104)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S15), S16 (= S17), N58 (= N60), T60 (= T62), K64 (= K66), N85 (= N88), D100 (= D104), Q235 (= Q252)

Query Sequence

>WP_011024467.1 NCBI__GCF_000007345.1:WP_011024467.1
MKRVFGVFGDPVGHSLSPAMHNSAFSALGMDCIYHAFRVRPENLRKAILGAEAMGFGGLN
LTVPLKEEALKLDFIRPDPLAERIGAVNTVVFSETGEIRGYNTDGLGARQALLEAAVEIR
GSKVVVAGAGGAARAVAFQLAADGAEITVVNRTEERAVELAKDVAAASLPGKINGTGLSG
LKELLRDADILINTTTLGMHPNTDTTIATAEELHSGLTVFDIVYNPLETRLLKEAKVAGA
KTVSGVLMLVYQGAEAFKLWTGVEAPAELMKKTVLEALQA

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