SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_013644226.1 NCBI__GCF_000191585.1:WP_013644226.1 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)
55% identity, 98% coverage: 1:281/286 of query aligns to 1:280/282 of Q58484

query
sites
Q58484

M

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GAGGA 130:134 (= GAGGA 129:133) binding NADP(+)
NRTVEK 152:157 (= NRTVEK 153:158) binding NADP(+)
T196 (= T197) binding NADP(+)
M200 (= M201) binding NADP(+)
L224 (≠ I225) binding NADP(+)

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
55% identity, 98% coverage: 1:281/286 of query aligns to 6:285/287 of 1nvtB

query
sites
1nvtB

M

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active site: K75 (= K70), D111 (= D106)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I72 (= I67), G135 (= G129), G137 (= G131), G138 (= G132), A139 (= A133), N157 (= N153), R158 (= R154), T159 (= T155), K162 (= K158), A200 (≠ T196), T201 (= T197), P202 (= P198), I203 (≠ V199), M205 (= M201), L229 (≠ I225), Y231 (= Y227), M255 (= M251), L256 (= L252)
binding zinc ion: E22 (= E17), H23 (= H18)

1nvtA Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
55% identity, 98% coverage: 1:281/286 of query aligns to 6:285/287 of 1nvtA

query
sites
1nvtA

M

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Q

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F

K

K

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active site: K75 (= K70), D111 (= D106)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G135 (= G129), A139 (= A133), N157 (= N153), R158 (= R154), T159 (= T155), K162 (= K158), A200 (≠ T196), T201 (= T197), P202 (= P198), I203 (≠ V199), M205 (= M201), L229 (≠ I225), Y231 (= Y227), G252 (= G248), M255 (= M251), L256 (= L252)

3tozA 2.2 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with NAD.
40% identity, 97% coverage: 2:278/286 of query aligns to 9:291/291 of 3tozA

query
sites
3tozA

I

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M

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binding nicotinamide-adenine-dinucleotide: G137 (= G129), A138 (= A130), G139 (= G131), G140 (= G132), A141 (= A133), N161 (= N153), R162 (= R154), D164 (vs. gap), F166 (vs. gap), T210 (= T197), G211 (≠ P198), V212 (= V199), M214 (= M201), F217 (≠ N204), V238 (≠ I225), Y240 (= Y227), G261 (= G248), M264 (= M251), M265 (≠ L252)

Q8Y9N5 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)
40% identity, 97% coverage: 2:278/286 of query aligns to 9:291/291 of Q8Y9N5

query
sites
Q8Y9N5

I

I

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G

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A

A

F

F

K

A

E

K

L

L

G

G

M

L

D

D

N

Y

I

V

Y

Y

V

L

P

A

F

F

Q

E

V

V

K

G

A

D

E

K

H

E

L

L

E

K

D

D

A

V

I

V

L

Q

G

G

A

F

Q

R

S

A

L

M

G

N

V

L

K

R

G

G

F

W

N

N

V

V

T

S

I

M

P

P

H

N

K

K

T

T

E

N

V

I

I

H

N

K

Y

Y

L

L

D

D

Y

K

L

L

D

S

I

P

A

A

G

E

L

L

I

V

G

G

A

A

V

V

N

N

T

T

I

V

E

V

F

N

G

D

K

D

N

G

G

V

A

L

V

T

G

G

H

H

N

I

T

T

D

D

G

G

I

T

G

G

A

Y

V

M

M

R

A

A

I

L

E

K

E

E

V

A

-

G

T

H

P

D

V

I

K

I

N

G

K

K

V

M

V

T

I

I

L

C

G

G

A

A

G

G

A

A

S

A

R

T

A

A

I

I

A

C

F

I

Q

Q

L

A

L

L

S

D

G

G

V

V

D

K

N

E

L

I

V

S

I

I

A

F

N
|
N

R
|
R

-
x
K

-
x
D

-

D

-

F

-

Y

-

A

-

N

-

A

-

E

-

K

T

T

V

V

E

E

K

K

A

I

G

N

E

S

L

-

K

K

T

T

D

D

L

C

V

K

E

A

K

Q

L

L

-

F

-

D

-

I

-

E

D

D

H

H

E

-

V

-

R

-

V

-

S

-

G

-

L

-

D

-

E

E

N

Q

L

L

T

R

Q

K

E

E

L

I

S

A

D

E

T

S

A

V

I

I

L

F

I

T

N

N

T

A

T

T

P

G

V

V

G

G

M
|
M

Y

K

P

P

N

F

V

E

D

G

E

E

K

T

P

L

V

L

V

P

T

S

A

A

E

D

M

M

M

L

H

R

P

P

D

E

M

L

V

I

V

V

N

S

D

D

I

V

V

V

Y

Y

N

K

P

P

L

T

K

K

T

T

G

R

L

L

N

E

E

I

A

A

D

E

K

E

A

Q

G

G

A

C

K

Q

S

T

I

L

S

N

G

G

I

L

K

G

M

M

L

M

M

L

Y

W

Q

Q

G

G

V

A

E

K

A

A

F

F

K

E

I

I

W

W

T

T

G

H

I

K

E

E

P

M

P

P

V

V

E

D

I

Y

F

I

Q

K

R

E

A

I

L

L

M

F

SLS 26:28 (= SLS 19:21) binding shikimate
NRKD 161:164 (≠ NR-- 153:154) binding NAD(+)
M214 (= M201) binding NADP(+)

3tnlA 1.45 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with shikimate and NAD.
40% identity, 97% coverage: 2:278/286 of query aligns to 6:288/288 of 3tnlA

query
sites
3tnlA

I

I

T

T

G

G

K

H

T

T

N

E

V

L

F

I

G

G

I

L

I

I

G

A

D

T

P

P

V

I

E

R

H

H

S
|
S

L

L

S
|
S

P

P

G

T

M

M

H

H

N

N

A

E

A

A

F

F

K

A

E

K

L

L

G

G

M

L

D

D

N

Y

I

V

Y

Y

V

L

P

A

F

F

Q

E

V

V

K

G

A

D

E

K

H

E

L

L

E

K

D

D

A

V

I

V

L

Q

G

G

A

F

Q

R

S

A

L

M

G

N

V

L

K

R

G

G

F

W

N
|
N

V

V

T
x
S

I
x
M

P

P

H

N

K
|
K

T

T

E

N

V

I

I

H

N

K

Y

Y

L

L

D

D

Y

K

L

L

D

S

I

P

A

A

G

E

L

L

I

V

G

G

A

A

V

V

N
|
N

T

T

I

V

E

V

F

N

G

D

K

D

N

G

G

V

A

L

V

T

G

G

H

H

N

I

T

T

D
|
D

G

G

I

T

G

G

A

Y

V

M

M

R

A

A

I

L

E

K

E

E

V

A

-

G

T

H

P

D

V

I

K

I

N

G

K

K

V

M

V

T

I

I

L

C

G
|
G

A
|
A

G
|
G

A
|
A

S

A

R

T

A

A

I

I

A

C

F

I

Q

Q

L

A

L

L

S

D

G

G

V

V

D

K

N

E

L

I

V

S

I

I

A

F

N
|
N

R
|
R

-

K

-
x
D

-

D

-
x
F

-

Y

-

A

-

N

-

A

-

E

-

K

T

T

V

V

E

E

K

K

A

I

G

N

E

S

L

-

K

K

T

T

D

D

L

C

V

K

E

A

K

Q

L

L

-

F

-

D

-

I

-

E

D

D

H

H

E

-

V

-

R

-

V

-

S

-

G

-

L

-

D

-

E

E

N

Q

L

L

T

R

Q

K

E

E

L

I

S

A

D

E

T

S

A

V

I

I

L

F

I

T

N

N

T

A

T
|
T

P

G

V
|
V

G

G

M
|
M

Y

K

P

P

N
x
F

V

E

D

G

E

E

K

T

P

L

V

L

V

P

T

S

A

A

E

D

M

M

M

L

H

R

P

P

D

E

M

L

V

I

V

V

N

S

D

D

I
x
V

V

V

Y
|
Y

N

K

P

P

L

T

K

K

T

T

G

R

L

L

N

E

E

I

A

A

D

E

K

E

A

Q

G

G

A

C

K

Q

S

T

I

L

S

N

G

G

I

L

K

G

M
|
M

L
x
M

M

L

Y

W

Q
|
Q

G

G

V

A

E

K

A

A

F

F

K

E

I

I

W

W

T

T

G

H

I

K

E

E

P

M

P

P

V

V

E

D

I

Y

F

I

Q

K

R

E

A

I

L

L

M

F

binding nicotinamide-adenine-dinucleotide: M71 (≠ I67), G134 (= G129), A135 (= A130), G136 (= G131), G137 (= G132), A138 (= A133), N158 (= N153), R159 (= R154), D161 (vs. gap), F163 (vs. gap), T207 (= T197), V209 (= V199), M211 (= M201), F214 (≠ N204), V235 (≠ I225), Y237 (= Y227), M261 (= M251), M262 (≠ L252)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S23 (= S19), S25 (= S21), N68 (= N64), S70 (≠ T66), K74 (= K70), N95 (= N91), D110 (= D106), Q265 (= Q255)

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
41% identity, 98% coverage: 1:279/286 of query aligns to 1:266/267 of 2hk9B

query
sites
2hk9B

M

M

I

I

T

N

G

A

K

Q

T

T

N

Q

V

L

F

Y

G

G

I

V

I

I

G

G

D

F

P

P

V

V

E

K

H

H

S
|
S

L

L

S
|
S

P

P

G

V

M

F

H

Q

N

N

A

A

A

L

F

I

K

R

E

Y

L

A

G

G

M

L

D

N

N

A

I

V

Y

Y

V

L

P

A

F

F

Q

E

V

I

K

N

A

P

E

E

H

E

L

L

E

K

D

K

A

A

I

F

L

E

G

G

A

F

Q

K

S

A

L

L

G

K

V

V

K

K

G

G

F

I

N
|
N

V

V

T
|
T

I
x
V

P

P

H

F

K
|
K

T

E

E

E

V

I

I

I

N

P

Y

L

L

L

D

D

Y

Y

L

V

D

E

I

D

A

T

A

A

G

K

L

E

I

I

G

G

A

A

V

V

N
|
N

T

T

I

V

E

K

F

F

G

E

K

N

N

G

G

K

A

A

V

Y

G

G

H

Y

N

N

T

T

D
|
D

G

W

I

I

G

G

A

F

V

L

M

K

A

S

I

L

E

K

E

S

V

L

T

I

P

P

-

E

V

V

K

K

N

E

K

K

K

S

V

I

V

L

I

V

L

L

G
|
G

A

A

G

G

G
|
G

A
|
A

S

S

R

R

A

A

I

V

A

I

F

Y

Q

A

L

L

L

V

L

K

S

E

G

G

V

A

D

-

N

K

L

V

V

F

I

L

A

W

N
|
N

R
|
R

T
|
T

V

K

E

E

K
|
K

A

A

G

-

E

-

L

-

K

-

T

I

D

K

L

L

V

A

E

Q

K

K

L

F

D

P

H

L

E

E

V

V

R

V

V

-

S

-

G

-

L

-

D

-

E

-

N

N

L

S

T

P

Q

E

E

E

L

V

S

I

D

D

-

K

T

V

A

Q

I

V

L

I

I

V

N

N

T

T

T
|
T

P
x
S

V
|
V

G

G

M

L

Y

K

P

-

N

-

V

-

D

D

E

E

K

D

P

P

-

E

V

I

V

F

T

N

A

Y

E

D

M

L

M

I

H

K

P

K

D

D

M

H

V

V

N

V

D

D

I
|
I

V

I

Y
|
Y

N

K

P

-

L

-

K

E

T

T

G

K

L

L

N

K

E

K

A

A

D

K

K

E

A

K

G

G

A

A

K

K

S

L

I

L

S

D

G

G

I

L

K

P

M
|
M

L
|
L

M

L

Y

W

Q
|
Q

G

G

V

I

E

E

A

A

F

F

K

K

I

I

W

W

T

N

G

G

I

C

E

E

P

V

P

P

V

Y

E

S

I

V

F

A

Q

E

R

R

A

S

L

V

M

R

N

D

binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (≠ I67), G130 (= G129), G133 (= G132), A134 (= A133), N153 (= N153), R154 (= R154), T155 (= T155), K158 (= K158), T188 (= T197), S189 (≠ P198), V190 (= V199), I214 (= I225), M238 (= M251), L239 (= L252)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S19), S21 (= S21), N64 (= N64), T66 (= T66), K70 (= K70), N91 (= N91), D106 (= D106), Y216 (= Y227), L239 (= L252), Q242 (= Q255)

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
41% identity, 98% coverage: 1:279/286 of query aligns to 1:266/269 of 2hk9A

query
sites
2hk9A

M

M

I

I

T

N

G

A

K

Q

T

T

N

Q

V

L

F

Y

G

G

I

V

I

I

G

G

D

F

P

P

V

V

E

K

H

H

S
|
S

L

L

S
|
S

P

P

G

V

M

F

H

Q

N

N

A

A

A

L

F

I

K

R

E

Y

L

A

G

G

M

L

D

N

N

A

I

V

Y

Y

V

L

P

A

F

F

Q

E

V

I

K

N

A

P

E

E

H

E

L

L

E

K

D

K

A

A

I

F

L

E

G

G

A

F

Q

K

S

A

L

L

G

K

V

V

K

K

G

G

F

I

N
|
N

V

V

T

T

I
x
V

P

P

H

F

K
|
K

T

E

E

E

V

I

I

I

N

P

Y

L

L

L

D

D

Y

Y

L

V

D

E

I

D

A

T

A

A

G

K

L

E

I

I

G

G

A

A

V

V

N
|
N

T

T

I

V

E

K

F

F

G

E

K

N

N

G

G

K

A

A

V

Y

G

G

H

Y

N

N

T

T

D
|
D

G

W

I

I

G

G

A

F

V

L

M

K

A

S

I

L

E

K

E

S

V

L

T

I

P

P

-

E

V

V

K

K

N

E

K

K

K

S

V

I

V

L

I

V

L

L

G

G

A

A

G
|
G

A
|
A

S

S

R

R

A

A

I

V

A

I

F

Y

Q

A

L

L

L

V

L

K

S

E

G

G

V

A

D

-

N

K

L

V

V

F

I

L

A

W

N
|
N

R
|
R

T
|
T

V

K

E

E

K

K

A

A

G

-

E

-

L

-

K

-

T

I

D

K

L

L

V

A

E

Q

K

K

L

F

D

P

H

L

E

E

V

V

R

V

V

-

S

-

G

-

L

-

D

-

E

-

N

N

L

S

T

P

Q

E

E

E

L

V

S

I

D

D

-

K

T

V

A

Q

I

V

L

I

I

V

N

N

T

T

T
|
T

P
x
S

V
|
V

G

G

M

L

Y

K

P

-

N

-

V

-

D

D

E

E

K

D

P

P

-

E

V

I

V

F

T

N

A

Y

E

D

M

L

M

I

H

K

P

K

D

D

M

H

V

V

N

V

D

D

I

I

V

I

Y
|
Y

N

K

P

-

L

-

K

E

T

T

G

K

L

L

N

K

E

K

A

A

D

K

K

E

A

K

G

G

A

A

K

K

S

L

I

L

S

D

G

G

I

L

K

P

M

M

L
|
L

M

L

Y

W

Q
|
Q

G

G

V

I

E

E

A

A

F

F

K

K

I

I

W

W

T

N

G

G

I

C

E

E

P

V

P

P

V

Y

E

S

I

V

F

A

Q

E

R

R

A

S

L

V

M

R

N

D

binding 2'-monophosphoadenosine-5'-diphosphate: V67 (≠ I67), G132 (= G131), G133 (= G132), A134 (= A133), N153 (= N153), R154 (= R154), T155 (= T155), T188 (= T197), S189 (≠ P198), V190 (= V199)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S19), S21 (= S21), N64 (= N64), K70 (= K70), N91 (= N91), D106 (= D106), Y216 (= Y227), L239 (= L252), Q242 (= Q255)

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
40% identity, 98% coverage: 1:279/286 of query aligns to 1:266/269 of O67049

query
sites
O67049

M

M

I

I

T

N

G

A

K

Q

T

T

N

Q

V

L

F

Y

G

G

I

V

I

I

G

G

D

F

P

P

V

V

E

K

H

H

S
|
S

L
|
L

S
|
S

P

P

G

V

M

F

H

Q

N

N

A

A

A

L

F

I

K

R

E

Y

L

A

G

G

M

L

D

N

N

A

I

V

Y

Y

V

L

P

A

F

F

Q

E

V

I

K

N

A

P

E

E

H

E

L

L

E

K

D

K

A

A

I

F

L

E

G

G

A

F

Q

K

S

A

L

L

G

K

V

V

K

K

G

G

F

I

N

N

V

V

T

T

I

V

P

P

H

F

K

K

T

E

E

E

V

I

I

I

N

P

Y

L

L

L

D

D

Y

Y

L

V

D

E

I
x
D

A

T

A

A

G

K

L

E

I

I

G

G

A

A

V

V

N
|
N

T

T

I

V

E

K

F

F

G

E

K

N

N

G

G

K

A

A

V

Y

G

G

H

Y

N

N

T

T

D
|
D

G

W

I

I

G

G

A

F

V

L

M

K

A

S

I

L

E

K

E

S

V

L

T

I

P

P

-

E

V

V

K

K

N

E

K

K

K

S

V

I

V

L

I

V

L

L

G
|
G

A
|
A

G
|
G

A
|
A

S

S

R

R

A

A

I

V

A

I

F

Y

Q

A

L

L

L

V

L

K

S

E

G

G

V

A

D

-

N

K

L

V

V

F

I

L

A

W

N

N

R

R

T

T

V

K

E

E

K

K

A

A

G

-

E

-

L

-

K

-

T

I

D

K

L

L

V

A

E

Q

K

K

L

F

D

P

H

L

E

E

V

V

R

V

V

-

S

-

G

-

L

-

D

-

E

-

N

N

L

S

T

P

Q

E

E

E

L

V

S

I

D

D

-

K

T

V

A

Q

I

V

L

I

I

V

N

N

T

T

P

S

V

V

G

G

M

L

Y

K

P

-

N

-

V

-

D

D

E

K

K

D

P

P

-

E

V

I

V

F

T

N

A

Y

E

D

M

L

M

I

H

K

P

K

D

D

M

H

V

V

N

V

D

D

I
|
I

V

I

Y
|
Y

N

K

P

-

L

-

K

E

T

T

G

K

L

L

N

K

E

K

A

A

D

K

K

E

A

K

G

G

A

A

K

K

S

L

I

F

S

D

G
|
G

I

L

K

P

M

M

L

L

M

L

Y

W

Q
|
Q

G

G

V

I

E

E

A

A

F

F

K

K

I

I

W

W

T

N

G

G

I

C

E

E

P

V

P

P

V

Y

E

S

I

V

F

A

Q

E

R

R

A

S

L

V

M

R

N

D

SLS 19:21 (= SLS 19:21) binding shikimate
D82 (≠ I82) binding NADP(+)
N91 (= N91) binding shikimate
D106 (= D106) binding shikimate
GAGGA 130:134 (= GAGGA 129:133) binding NADP(+)
I214 (= I225) binding NADP(+)
Y216 (= Y227) binding shikimate
G235 (= G248) binding NADP(+)
Q242 (= Q255) binding shikimate

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
38% identity, 95% coverage: 9:281/286 of query aligns to 3:265/269 of Q5HNV1

query
sites
Q5HNV1

F

F

G

A

I

V

I

I

G

G

D

N

P

P

V

I

E

S

H

H

S
|
S

L
|
L

S
|
S

P

P

G

L

M

M

H

H

N

H

A

A

A

N

F

F

K

Q

E

S

L

L

G

N

M

L

D

E

N

N

I

T

Y

Y

V

E

P

A

F

I

Q

N

V

V

K

P

A

V

E

N

H

Q

L

F

E

Q

D

D

A

I

I

K

L

K

G

I

A

I

Q

S

S

E

L

K

G

S

V

I

K

D

G

G

F

F

N

N

V

V

T
|
T

I

I

P

P

H

H

K

K

T

E

E

R

V

I

I

I

N

P

Y

Y

L

L

D

D

Y

D

L

I

D

N

I

E

A

Q

A

A

G

K

L

S

I

V

G

G

A

A

V

V

N
|
N

T

T

I

V

E

L

F

V

G

K

K

D

N

G

G

K

A

W

V

I

G

G

H

Y

N

N

T

T

D
|
D

G

G

I

I

G

G

A

Y

V

V

M

N

A

G

I

L

E

K

E

Q

V

I

T

Y

P

E

-

G

V

I

K

E

N

D

K

A

K

Y

V

I

V

L

I

I

L

L

G

G

A

A

G

G

A

A

S

S

R

K

A

G

I

I

A

A

F

N

Q

E

L

L

L

Y

L

K

S

I

G

V

V

R

D

P

N

T

L

L

V

T

I

V

A

A

N

N

R

R

T

T

V

M

E

S

K

R

A

F

G

N

E

N

L

W

K

S

T

L

D

N

L

-

V

I

E

N

K

K

L

I

D

N

H

L

E

S

V

H

R

A

V

E

S

S

G

H

L

L

D

D

E

E

N

-

L

-

T

-

Q

-

E

-

L

-

S

-

D

-

T

F

A

D

I

I

L

I

I

I

N

N

T

T

P

P

V

A

G

G

M

M

Y

N

P

G

N

N

V

T

D

D

E

S

K

-

P

-

V

V

V

I

T

S

A

L

E

N

M

R

M

L

H

A

P

S

D

H

M

T

V

L

V

V

N

S

D

D

I

I

V

V

Y
|
Y

N

N

P

P

L

Y

K

K

T

T

G

P

L

I

L

L

N

I

E

E

A

A

D

E

K

Q

A

R

G

G

A

N

K

P

S

I

I

Y

S

N

G

G

I

L

K

D

M

M

L

F

M

V

Y

H

Q
|
Q

G

G

V

A

E

E

A

S

F

F

K

K

I

I

W

W

T

T

G

N

I

L

E

E

P

P

P

D

V

I

E

K

I

A

F

M

Q

K

R

N

A

I

L

V

M

I

N

Q

E

K

L

L

SLS 13:15 (= SLS 19:21) binding shikimate
T60 (= T66) binding shikimate
N85 (= N91) binding shikimate
D100 (= D106) binding shikimate
Y211 (= Y227) Plays a major role in the catalytic process and a minor role in the substrate binding; mutation to F: Leads to a 345-fold decrease in the catalytic efficiency and a 3-fold decrease in the affinity binding for shikimate.
Q239 (= Q255) binding shikimate

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: 2:277/286 of query aligns to 3:284/288 of 1npdB

query
sites
1npdB

I

V

T

T

G

A

K

K

T

Y

N

E

V

L

F

I

G

G

I

L

I

M

G

A

D

Y

P

P

V

I

E

R

H

H

S

S

L

L

S

S

P

P

G

E

M

M

H

Q

N

N

A

K

A

A

F

L

K

E

E

K

L

A

G

G

M

L

D

P

N

F

I

T

Y

Y

V

M

P

A

F

F

Q

E

V

V

K

D

A

N

E

D

H

S

L

F

E

P

D

G

A

A

I

I

L

E

G

G

A

L

Q

K

S

A

L

L

G

K

V

M

K

R

G

G

F

T

N

G

V

V

T

S

I

M

P

P

H

N

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K

T

Q

E

L

V

A

I

C

N

E

Y

Y

L

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D

Y

E

L

L

D

T

I

P

A

A

G

K

L

L

I

V

G

G

A

A

V

I

N

N

T

T

I

I

E

V

F

N

G

D

K

D

N

G

G

Y

A

L

V

R

G

G

H

Y

N

N

T

T

D

D

G

G

I

T

G

G

A

H

V

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M

R

A

A

I

I

E

K

E

E

V

S

-

G

T

F

P

D

V

I

K

K

N

G

K

K

K

T

V

M

V

V

I

L

L

L

G

G

A
|
A

G
|
G

A
|
A

S

S

R

T

A

A

I

I

A

G

F

A

Q

Q

L

G

L

A

L

I

S

E

G

G

V

L

D

K

N

E

L

I

V

K

I

L

A

F

N
|
N

R
|
R

T

R

V
x
D

E

E

-
x
F

-

F

-

D

K

K

A

A

G

L

E

A

L

F

K

A

T

Q

D

R

L

V

V

N

E

E

K

N

L

T

D

D

H

C

E

V

V

V

R

T

V

V

S

T

G

D

L

L

-

A

-

D

D

Q

E

Q

N

A

L

F

T

A

Q

E

E

A

L

L

S

A

D

S

T

A

A

D

I

I

L

L

I

T

N

N

T

G

T
|
T

P
x
K

V
|
V

G

G

M
|
M

Y

K

P

P

N

L

V

E

D

N

E

E

K

S

P

L

V

V

V

N

T

D

A

I

E

S

M

L

H

H

P

P

D

G

M

L

V

L

V

V

N

T

D

E

I
x
C

V

V

Y

Y

N

N

P

P

L

H

K

M

T

T

G

K

L

L

N

Q

E

Q

A

A

D

Q

K

Q

A

A

G

G

A

C

K

K

S

T

I

I

S

D

G

G

I

Y

K

G

M
|
M

L
|
L

M

L

Y

W

Q

Q

G

G

V

A

E

E

A

Q

F

F

K

T

I

L

W

W

T

T

G

G

I

K

E

D

P

F

P

P

V

L

E

E

I

Y

F

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K

R

Q

A

V

L

M

binding nicotinamide-adenine-dinucleotide: A132 (= A130), G133 (= G131), G134 (= G132), A135 (= A133), N155 (= N153), R156 (= R154), D158 (≠ V156), F160 (vs. gap), T204 (= T197), K205 (≠ P198), V206 (= V199), M208 (= M201), C232 (≠ I225), M258 (= M251), L259 (= L252)

P0A6D5 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Escherichia coli (strain K12) (see 4 papers)
38% identity, 97% coverage: 2:277/286 of query aligns to 3:284/288 of P0A6D5

query
sites
P0A6D5

I

V

T

T

G

A

K

K

T

Y

N

E

V

L

F

I

G

G

I

L

I

M

G

A

D

Y

P

P

V

I

E

R

H

H

S

S

L

L

S
|
S

P

P

G

E

M

M

H

Q

N

N

A

K

A

A

F

L

K

E

E

K

L

A

G

G

M

L

D

P

N

F

I

T

Y
|
Y

V

M

P

A

F

F

Q

E

V

V

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D

A

N

E

D

H

S

L

F

E

P

D

G

A

A

I

I

L

E

G

G

A

L

Q

K

S

A

L

L

G

K

V

M

K

R

G

G

F

T

N

G

V

V

T
x
S

I

M

P

P

H

N

K
|
K

T

Q

E

L

V

A

I

C

N

E

Y

Y

L

V

D

D

Y

E

L

L

D

T

I

P

A

A

G

K

L

L

I

V

G

G

A

A

V

I

N
|
N

T

T

I

I

E

V

F

N

G

D

K

D

N

G

G

Y

A

L

V

R

G

G

H

Y

N

N

T
|
T

D
|
D

G

G

I

T

G

G

A

H

V

I

M

R

A

A

I

I

E

K

E

E

V

S

-

G

T

F

P

D

V

I

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K

N

G

K

K

K

T

V

M

V

V

I

L

L

L

G

G

A
|
A

G
|
G

A
|
A

S

S

R

T

A

A

I

I

A

G

F

A

Q

Q

L

G

L

A

L

I

S

E

G

G

V

L

D

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N

E

L

I

V

K

I

L

A

F

N
|
N

R
|
R

T
x
R

V
x
D

E

E

-

F

-

D

K

K

A

A

G

L

E

A

L

F

K

A

T

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D

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L

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V

N

E

E

K

N

L

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D

D

H

C

E

V

V

V

R

T

V

V

S

T

G

D

L

L

-

A

-

D

D

Q

E

Q

N

A

L

F

T

A

Q

E

E

A

L

L

S

A

D

S

T

A

A

D

I

I

L

L

I

T

N

N

T

G

T

T

P
x
K

V

V

G

G

M

M

Y

K

P

P

N

L

V

E

D

N

E

E

K

S

P

L

V

V

V

N

T

D

A

I

E

S

M

L

H

H

P

P

D

G

M

L

V

L

V

V

N

T

D

E

I
x
C

V
|
V

Y
|
Y

N
|
N

P

P

L

H

K

M

T

T

G

K

L

L

N

Q

E

Q

A

A

D

Q

K

Q

A

A

G

G

A

C

K

K

S

T

I

I

S

D

G
|
G

I

Y

K

G

M

M

L

L

M

L

Y

W

Q
|
Q

G

G

V

A

E

E

A

Q

F

F

K

T

I

L

W

W

T

T

G

G

I

K

E

D

P

F

P

P

V

L

E

E

I

Y

F

V

Q

K

R

Q

A

V

L

M

S22 (= S21) mutation to A: Kinetically unchanged as compared with the wild-type.
Y39 (= Y38) mutation to F: Kinetically unchanged as compared with the wild-type.
S67 (≠ T66) mutation to A: Reduces activity towards quinate about 6-fold, but has a little effect on shikimate conversion.
K71 (= K70) 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 (= N91) mutation to A: Alters protein structure. Loss of activity for both substrates.
T106 (= T105) 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 (= D106) mutation to A: Loss of activity towards quinate. 20000-fold decrease in the affinity for shikimate.
AGGA 132:135 (= AGGA 130:133) binding NAD(+)
NRRD 155:158 (≠ NRTV 153:156) binding NAD(+)
K205 (≠ P198) binding NAD(+)
CVYN 232:235 (≠ IVYN 225:228) binding NAD(+)
G255 (= G248) binding NAD(+)
Q262 (= Q255) mutation to A: 3-fold reduction in catalytic efficiency for both substrates.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

1o9bA Quinate/shikimate dehydrogenase ydib complexed with nadh (see paper)
38% identity, 94% coverage: 8:277/286 of query aligns to 3:278/280 of 1o9bA

query
sites
1o9bA

V

L

F

I

G

G

I

L

I

M

G

A

D

Y

P

P

V

I

E

R

H

H

S

S

L

L

S

S

P

P

G

E

M

M

H

Q

N

N

A

K

A

A

F

L

K

E

E

K

L

A

G

G

M

L

D

P

N

F

I

T

Y

Y

V

M

P

A

F

F

Q

E

V

V

K

D

A

N

E

D

H

S

L

F

E

P

D

G

A

A

I

I

L

E

G

G

A

L

Q

K

S

A

L

L

G

K

V

M

K

R

G

G

F

T

N

G

V

V

T

S

I

M

P

P

H

N

K

K

T

Q

E

L

V

A

I

C

N

E

Y

Y

L

V

D

D

Y

E

L

L

D

T

I

P

A

A

G

K

L

L

I

V

G

G

A

A

V

I

N

N

T

T

I

I

E

V

F

N

G

D

K

D

N

G

G

Y

A

L

V

R

G

G

H

Y

N

N

T

T

D

D

G

G

I

T

G

G

A

H

V

I

M

R

A

A

I

I

E

K

E

E

V

S

-

G

T

F

P

D

V

I

K

K

N

G

K

K

K

T

V

M

V

V

I

L

L

L

G

G

A
|
A

G
|
G

A
|
A

S

S

R

T

A

A

I

I

A

G

F

A

Q

Q

L

G

L

A

L

I

S

E

G

G

V

L

D

K

N

E

L

I

V

K

I

L

A

F

N

N

R
|
R

T

R

V

D

E

E

-
x
F

-

F

-

D

K

K

A

A

G

L

E

A

L

F

K

A

T

Q

D

R

L

V

V

N

E

E

K

N

L

T

D

D

H

C

E

V

V

V

R

T

V

V

S

T

G

D

L

L

-

A

-

D

D

Q

E

Q

N

A

L

F

T

A

Q

E

E

A

L

L

S

A

D

S

T

A

A

D

I

I

L

L

I

T

N

N

T

G

T

T

P
x
K

V
|
V

G

G

M
|
M

Y

K

P

P

N

L

V

E

D

N

E

E

K

S

P

L

V

V

V

N

T

D

A

I

E

S

M

L

H

H

P

P

D

G

M

L

V

L

V

V

N

T

D

E

I
x
C

V

V

Y
|
Y

N

N

P

P

L

H

K

M

T

T

G

K

L

L

N

Q

E

Q

A

A

D

Q

K

Q

A

A

G

G

A

C

K

K

S

T

I

I

S

D

G

G

I

Y

K

G

M
|
M

L
|
L

M

L

Y

W

Q

Q

G

G

V

A

E

E

A

Q

F

F

K

T

I

L

W

W

T

T

G

G

I

K

E

D

P

F

P

P

V

L

E

E

I

Y

F

V

Q

K

R

Q

A

V

L

M

binding 1,4-dihydronicotinamide adenine dinucleotide: A126 (= A130), G127 (= G131), G128 (= G132), A129 (= A133), R150 (= R154), F154 (vs. gap), K199 (≠ P198), V200 (= V199), M202 (= M201), C226 (≠ I225), Y228 (= Y227), M252 (= M251), L253 (= L252)

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
36% identity, 95% coverage: 9:281/286 of query aligns to 3:256/258 of 3dooA

query
sites
3dooA

F

F

G

A

I

V

I

I

G

G

D

N

P

P

V

I

E

S

H

H

S
|
S

L

L

S
|
S

P

P

G

L

M

M

H

H

N

H

A

A

A

N

F

F

K

Q

E

S

L

L

G

N

M

L

D

E

N

N

I

T

Y

Y

V

E

P

A

F

I

Q

N

V

V

K

P

A

V

E

N

H

Q

L

F

E

Q

D

D

A

I

I

K

L

K

G

I

A

I

Q

S

S

E

L

K

G

S

V

I

K

D

G

G

F

F

N
|
N

V

V

T
|
T

I

I

P

P

H

H

K
|
K

T

E

E

R

V

I

I

I

N

P

Y

Y

L

L

D

D

Y

D

L

I

D

N

I

E

A

Q

A

A

G

K

L

S

I

V

G

G

A

A

V

V

N
|
N

T

T

I

V

E

L

F

V

G

K

K

D

N

G

G

K

A

W

V

I

G

G

H

Y

N

N

T

T

D
|
D

G

G

I

I

G

G

A

Y

V

V

M

N

A

G

I

L

E

K

E

Q

V

I

T

Y

P

E

-

G

V

I

K

E

N

D

K

A

K

Y

V

I

V

L

I

I

L

L

G

G

A

A

G

G

A

A

S

S

R

K

A

G

I

I

A

A

F

N

Q

E

L

L

L

Y

L

K

S

I

G

V

V

R

D

P

N

T

L

L

V

T

I

V

A

A

N

N

R

R

T

T

V

M

E

S

K

R

A

F

G

N

E

N

L

W

K

S

T

L

D

N

L

-

V

I

E

N

K

K

L

I

D

N

H

L

E

S

V

H

R

A

V

E

S

S

G

H

L

L

D

D

E

E

N

-

L

-

T

-

Q

-

E

-

L

-

S

-

D

-

T

F

A

D

I

I

L

I

I

I

N

N

T

T

P

-

V

-

G

-

M

-

Y

-

P

-

N

-

V

-

D

-

E

-

K

-

P

P

V

V

V

I

T

S

A

L

E

N

M

R

M

L

H

A

P

S

D

H

M

T

V

L

V

V

N

S

D

D

I

I

V

V

Y

Y

N

N

P

P

L

Y

K

K

T

T

G

P

L

I

L

L

N

I

E

E

A

A

D

E

K

Q

A

R

G

G

A

N

K

P

S

I

I

Y

S

N

G

G

I

L

K

D

M

M

L
x
F

M

V

Y

H

Q
|
Q

G

G

V

A

E

E

A

S

F

F

K

K

I

I

W

W

T

T

G

N

I

L

E

E

P

P

P

D

V

I

E

K

I

A

F

M

Q

K

R

N

A

I

L

V

M

I

N

Q

E

K

L

L

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S13 (= S19), S15 (= S21), N58 (= N64), T60 (= T66), K64 (= K70), N85 (= N91), D100 (= D106), F227 (≠ L252), Q230 (= Q255)

Q8ZPR4 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
36% identity, 97% coverage: 2:277/286 of query aligns to 3:284/288 of Q8ZPR4

query
sites
Q8ZPR4

I

V

T

T

G

A

K

K

T

Y

N

E

V

L

F

I

G

G

I

L

I

M

G

A

D

Y

P

P

V

I

E

R

H

H

S

S

L

L

S

S

P

P

G

E

M

M

H

Q

N

N

A

K

A

A

F

L

K

E

E

K

L

A

G

G

M

L

D

P

N

Y

I

T

Y

Y

V

M

P

A

F

F

Q

E

V

V

K

D

A

N

E

T

H

T

L

F

E

A

D

S

A

A

I

I

L

E

G

G

A

L

Q

K

S

A

L

L

G

K

V

M

K

R

G

G

F

T

N

G

V

V

T

S

I

M

P

P

H

N

K

K

T

Q

E

L

V

A

I

C

N

E

Y

Y

L

V

D

D

Y

E

L

L

D

T

I

P

A

A

G

K

L

L

I

V

G

G

A

A

V

I

N

N

T

T

I

I

E

V

F

N

G

D

K

D

N

G

G

Y

A

L

V

R

G

G

H

Y

N

N

T

T

D

D

G

G

I

T

G

G

A

H

V

I

M

R

A

A

I

I

E

K

E

E

V

S

-

G

T

F

P

D

V

M

K

R

N

G

K

K

K

T

V

M

V

V

I

L

L

L

G

G

A
|
A

G
|
G

A
|
A

S

A

R

T

A

A

I

I

A

G

F

A

Q

Q

L

A

L

I

S

E

G

G

V

I

D

K

N

E

L

I

V

K

I

L

A

F

N
|
N

R
|
R

T
x
K

-
x
D

-

D

-

F

V

F

E

E

K

K

A

A

G

V

E

A

L

F

K

A

T

K

D

R

L

V

V

N

E

E

K

N

L

T

D

D

H

C

E

V

V

V

R

T

V

V

S

T

G

D

L

L

D

A

E

D

N

Q

-

H

-

A

L

F

T

T

Q

E

E

A

L

L

S

A

D

S

T

A

A

D

I

I

L

L

I

T

N

N

T

G

T

T

P
x
K

V

V

G

G

M

M

Y

K

P

P

N

L

V

E

D

N

E

E

K

S

P

L

V

I

V

G

T

D

A

V

E

S

M

L

H

R

P

P

D

E

M

L

V

L

V

V

N

T

D

E

I
x
C

V
|
V

Y
|
Y

N
|
N

P

P

L

H

K

M

T

T

G

K

L

L

N

Q

E

Q

A

A

D

Q

K

Q

A

A

G

G

A

C

K

K

S

T

I

I

S

D

G
|
G

I

Y

K

G

M

M

L

L

M

L

Y

W

Q

Q

G

G

V

A

E

E

A

Q

F

F

K

E

I

L

W

W

T

T

G

G

I

K

E

A

P

F

P

P

V

L

E

D

I

Y

F

V

Q

K

R

Q

A

V

L

M

AGGA 132:135 (= AGGA 130:133) binding NAD(+)
NRKD 155:158 (≠ NRT- 153:155) binding NAD(+)
K205 (≠ P198) binding NAD(+)
CVYN 232:235 (≠ IVYN 225:228) binding NAD(+)
G255 (= G248) binding NAD(+)

2o7sA Crystal structure of the a. Thaliana dhq-dehydroshikimate-sdh- shikimate-NADP(h)
39% identity, 95% coverage: 6:277/286 of query aligns to 234:488/500 of 2o7sA

query
sites
2o7sA

T

T

N

K

V

V

F

Y

G

G

I
|
I

I

I

G

G

D

K

P

P

V

V

E

S

H

H

S
|
S

L

K

S
|
S

P

P

G

I

M

V

H

H

N

N

A

Q

A

A

F

F

K

K

E

S

L

V

G

D

M

F

D

N

N

G

I

V

Y

Y

V

V

P

H

F

L

Q

L

V

V

K

-

A

-

E

D

H

N

L

L

E

V

D

S

A

F

I

L

L

Q

G

A

A

Y

Q

S

S

S

L

S

G

D

V

F

K

A

G

G

F

F

N

S

V

C

T
|
T

I
|
I

P
|
P

H

H

K
|
K

T

E

E

A

V

A

I

L

N

Q

Y

C

L

C

D

D

Y

E

L

V

D

D

I

P

A

L

A

A

G

K

L

S

I

I

G

G

A

A

V

V

N
|
N

T

T

I

I

E

L

F

R

G

R

K

K

N

S

G

D

A

G

-

K

-

L

V

L

G

G

H

Y

N

N

T

T

D
|
D

G

C

I

I

G

G

A

S

V

I

M

S

A

A

I

I

E

E

E

D

V

-

T

-

P

-

V

-

K

-

N

G

K

L

K

T

V

V

I

V

L

I

G

G

A

A

G
|
G

A
|
A

S

G

R

K

A

A

I

L

A

A

F

Y

Q

G

L

A

L

K

L

E

S

K

G

G

V

A

D

-

N

-

L

V

V

V

I

I

A

A

N
|
N

R
|
R

T
|
T

V

Y

E

E

K
x
R

A

A

G

L

E

E

L

L

K

-

T

-

D

-

L

-

V

A

E

E

K

A

L

I

D

G

H

G

E

A

V

L

R

S

V

L

S

T

G

D

L

L

D

D

E

N

N

-

L

-

T

-

Q

-

E

-

L

Y

S

E

D

D

T

G

A

M

I

V

L

L

I

A

N

N

T

T

T
|
T

P
x
S

V
x
M

G

G

M

M

Y

Q

P

P

N

N

V

V

D

E

E

E

K

T

P

P

V

I

V

S

T

K

A

D

E

A

M

L

M

K

H

H

P

Y

D

A

M

L

V

V

V

F

N

-

D

D

I
x
A

V

V

Y
|
Y

N

T

P

P

L

R

K

I

T

T

G

R

L

L

N

R

E

E

A

A

D

E

K

E

A

S

G

G

A

A

K

I

S

T

I

V

S

S

G

G

I

S

K

E

M
|
M

L
x
F

M

V

Y

R

Q
|
Q

G

A

V

Y

E

E

A
x
Q

F

F

K

E

I

I

W

F

T

T

G

G

I

L

E

P

P

A

P

P

V

K

E

E

I

L

F

Y

Q

W

R

Q

A

I

L

M

binding 3-dehydroshikimate: I239 (= I11), S247 (= S19), S249 (= S21), T292 (= T66), K296 (= K70), N317 (= N91), D334 (= D106), Y438 (= Y227), Q466 (= Q255), Q470 (≠ A259)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I293 (= I67), P294 (= P68), K296 (= K70), D334 (= D106), G354 (= G131), G355 (= G132), A356 (= A133), N374 (= N153), R375 (= R154), T376 (= T155), R379 (≠ K158), T409 (= T197), S410 (≠ P198), M411 (≠ V199), A436 (≠ I225), M462 (= M251), F463 (≠ L252)

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)
38% identity, 95% coverage: 6:277/286 of query aligns to 234:489/501 of 2o7qA

query
sites
2o7qA

T

T

N

K

V

V

F

Y

G

G

I
|
I

I

I

G

G

D

K

P

P

V

V

E

S

H

H

S
|
S

L

K

S
|
S

P

P

G

I

M

V

H

H

N

N

A

Q

A

A

F

F

K

K

E

S

L

V

G

D

M

F

D

N

N

G

I

V

Y

Y

V

V

P

H

F

L

Q

L

V

V

K

-

A

-

E

D

H

N

L

L

E

V

D

S

A

F

I

L

L

Q

G

A

A

Y

Q

S

S

S

L

S

G

D

V

F

K

A

G

G

F

F

N

S

V

C

T
|
T

I

I

P

P

H

H

K
|
K

T

E

E

A

V

A

I

L

N

Q

Y

C

L

C

D

D

Y

E

L

V

D

D

I

P

A

L

A

A

G

K

L

S

I

I

G

G

A

A

V

V

N

N

T

T

I

I

E

L

F

R

G

R

K

K

N

S

G

D

A

G

-

K

-

L

V

L

G

G

H

Y

N

N

T

T

D
|
D

G

C

I

I

G

G

A

S

V

I

M

S

A

A

I

I

E

E

E

D

V

G

T

L

P

T

V

V

K

-

N

-

K

-

V

V

I

I

L

G

G

A

A

G

G

G

G

A

A

G

S

K

R

A

A

L

I

A

A

Y

F

G

Q

A

L

K

L

E

L

K

S

A

G

K

V

V

D

-

N

-

L

-

V

V

I

I

A

A

N

N

R

R

T

T

V

Y

E

E

K

R

A

A

G

L

E

E

L

L

K

A

T

E

D

A

L

I

V

G

E

G

K

K

L

-

D

-

H

-

E

A

V

L

R

S

V

L

S

T

G

D

L

L

D

D

E

N

N

-

L

-

T

-

Q

-

E

-

L

Y

S

E

D

D

T

G

A

M

I

V

L

L

I

A

N

N

T

T

P

S

V

M

G

G

M

M

Y

Q

P

P

N

N

V

V

D

E

E

E

K

T

P

P

V

I

V

S

T

K

A

D

E

A

M

L

M

K

H

H

P

Y

D

A

M

L

V

V

V

F

N

-

D

D

I

A

V

V

Y
|
Y

N

T

P

P

L

R

K

I

T

T

G

R

L

L

N

R

E

E

A

A

D

E

K

E

A

S

G

G

A

A

K

I

S

T

I

V

S

S

G

G

I

S

K

E

M

M

L
x
F

M

V

Y

R

Q
|
Q

G

A

V

Y

E

E

A
x
Q

F

F

K

E

I

I

W

F

T

T

G

G

I

L

E

P

P

A

P

P

V

K

E

E

I

L

F

Y

Q

W

R

Q

A

I

L

M

binding 3-dehydroshikimate: I239 (= I11), S247 (= S19), S249 (= S21), T292 (= T66), K296 (= K70), D334 (= D106), Y439 (= Y227), F464 (≠ L252), Q467 (= Q255), Q471 (≠ A259)

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)
39% identity, 95% coverage: 6:277/286 of query aligns to 323:600/603 of Q9SQT8

query
sites
Q9SQT8

T

T

N

K

V

V

F

Y

G

G

I

I

G

G

D

K

P

P

V

V

E

S

H

H

S
|
S

L

K

S
|
S

P

P

G

I

M

V

H

H

N

N

A

Q

A

A

F

F

K

K

E

S

L

V

G

D

M

F

D

N

N

G

I

V

Y

Y

V

V

P

H

F

L

Q

L

V

V

K

-

A

-

E

D

H

N

L

L

E

V

D

S

A

F

I

L

L

Q

G

A

A

Y

Q

S

S

S

L

S

G

D

V

F

K

A

G

G

F

F

N

S

V

C

T
|
T

I

I

P

P

H

H

K
|
K

T

E

E

A

V

A

I

L

N

Q

Y

C

L

C

D

D

Y

E

L

V

D

D

I

P

A

L

A

A

G

K

L

S

I

I

G

G

A

A

V

V

N
|
N

T

T

I

I

E

L

F

R

G

R

K

K

N

S

G

D

A

G

-

K

-

L

V

L

G

G

H

Y

N

N

T

T

D
|
D

G

C

I

I

G

G

A

S

V

I

M

S

A

A

I

I

E

E

E

D

-

G

-

L

-

R

-

S

-

G

-

D

-

P

-

S

-

V

-

P

-

S

V

S

T

S

P

P

V

L

K

A

N

S

K

K

K

T

V

V

I

V

L

I

G

G

A
|
A

G

G

G
|
G

A
|
A

S

G

R

K

A

A

I

L

A

A

F

Y

Q

G

L

A

L

K

L

E

S

K

G

G

V

A

D

-

N

K

L

V

V

V

I

I

A

A

N
|
N

R

R

T
|
T

V

Y

E

E

K
x
R

A

A

G

L

E

E

L

L

K

A

T

E

D

A

L

I

V

G

E

G

K

K

L

-

D

-

H

-

E

A

V

L

R

S

V

L

S

T

G

D

L

L

D

D

E

-

N

N

L

Y

T

H

Q

P

E

E

L

-

S

-

D

D

T

G

A

M

I

V

L

L

I

A

N

N

T

T

P

S

V

M

G

G

M
|
M

Y

Q

P

P

N

N

V

V

D

E

E

E

K

T

P

P

V

I

V

S

T

K

A

D

E

A

M

L

M

K

H

H

P

Y

D

A

M

L

V

V

V

F

N

-

D

D

I
x
A

V

V

Y
|
Y

N

T

P

P

L

R

K

I

T

T

G

R

L

L

N

R

E

E

A

A

D

E

K

E

A

S

G

G

A

A

K

I

S

T

I

V

S

S

G
|
G

I

S

K

E

M

M

L

F

M

V

Y

R

Q
|
Q

G

A

V

Y

E

E

A
x
Q

F

F

K

E

I

I

W

F

T

T

G

G

I

L

E

P

P

A

P

P

V

K

E

E

I

L

F

Y

Q

W

R

Q

A

I

L

M

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 (= T66) binding shikimate
K385 (= K70) 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 (= N91) binding shikimate
D423 (= D106) binding shikimate; mutation to A: Loss of shikimate dehydrogenase activity.; mutation to N: Reduced shikimate dehydrogenase activity, but no change in substrate affinity.
A461 (= A130) binding NADP(+)
G463 (= G132) binding NADP(+)
A464 (= A133) binding NADP(+)
N483 (= N153) binding NADP(+)
T485 (= T155) binding NADP(+)
R488 (≠ K158) binding NADP(+)
M525 (= M201) binding NADP(+)
A548 (≠ I225) binding NADP(+)
Y550 (= Y227) binding shikimate; mutation Y->F,A: 100-fold decrease in activity, and 2-fold decrease in substrate affinity.
G571 (= G248) binding NADP(+)
Q578 (= Q255) binding shikimate
Q582 (≠ A259) 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)
39% identity, 95% coverage: 6:277/286 of query aligns to 234:486/498 of 2gptA

query
sites
2gptA

T

T

N

K

V

V

F

Y

G

G

I
|
I

I

I

G

G

D

K

P

P

V

V

E

S

H

H

S
|
S

L

K

S
|
S

P

P

G

I

M

V

H

H

N

N

A

Q

A

A

F

F

K

K

E

S

L

V

G

D

M

F

D

N

N

G

I

V

Y

Y

V

V

P

H

F

L

Q

L

V

V

K

-

A

-

E

D

H

N

L

L

E

V

D

S

A

F

I

L

L

Q

G

A

A

Y

Q

S

S

S

L

S

G

D

V

F

K

A

G

G

F

F

N

S

V

C

T
|
T

I

I

P

P

H

H

K
|
K

T

E

E

A

V

A

I

L

N

Q

Y

C

L

C

D

D

Y

E

L

V

D

D

I

P

A

L

A

A

G

K

L

S

I

I

G

G

A

A

V

V

N
|
N

T

T

I

I

E

L

F

R

G

R

K

K

N

S

G

D

A

G

-

K

-

L

V

L

G

G

H

Y

N

N

T

T

D
|
D

G

C

I

I

G

G

A

S

V

I

M

S

A

A

I

I

E

E

E

D

V

-

T

-

P

-

V

-

K

-

N

G

K

L

K

T

V

V

I

V

L

I

G

G

A

A

G

G

A

A

S

G

R

K

A

A

I

L

A

A

F

Y

Q

G

L

A

L

K

L

E

S

K

G

G

V

A

D

-

N

K

L

V

V

V

I

I

A

A

N

N

R

R

T

T

V

Y

E

E

K

R

A

-

G

-

E

-

L

-

K

-

T

-

D

E

L

L

V

A

E

E

K

A

L

I

D

G

H

-

E

A

V

L

R

S

V

L

S

T

G

D

L

L

D

D

E

N

N

-

L

-

T

-

Q

-

E

-

L

Y

S

E

D

D

T

G

A

M

I

V

L

L

I

A

N

N

T

T

P

S

V

M

G

G

M

M

Y

Q

P

P

N

N

V

V

D

E

E

E

K

T

P

P

V

I

V

S

T

K

A

D

E

A

M

L

M

K

H

H

P

Y

D

A

M

L

V

V

V

F

N

-

D

D

I

A

V

V

Y
|
Y

N

T

P

P

L

R

K

I

T

T

G

R

L

L

N

R

E

E

A

A

D

E

K

E

A

S

G

G

A

A

K

I

S

T

I

V

S

S

G

G

I

S

K

E

M

M

L

F

M

V

Y

R

Q
|
Q

G

A

V

Y

E

E

A
x
Q

F

F

K

E

I

I

W

F

T

T

G

G

I

L

E

P

P

A

P

P

V

K

E

E

I

L

F

Y

Q

W

R

Q

A

I

L

M

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: I239 (= I11), S247 (= S19), S249 (= S21), T292 (= T66), K296 (= K70), N317 (= N91), D334 (= D106), Y436 (= Y227), Q464 (= Q255), Q468 (≠ A259)

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)
38% identity, 95% coverage: 6:277/286 of query aligns to 234:486/498 of 6bmqA

query
sites
6bmqA

T

T

N

K

V

V

F

Y

G

G

I

I

G

G

D

K

P

P

V

V

E

S

H

H

S
|
S

L

K

S
|
S

P

P

G

I

M

V

H

H

N

N

A

Q

A

A

F

F

K

K

E

S

L

V

G

D

M

F

D

N

N

G

I

V

Y

Y

V

V

P

H

F

L

Q

L

V

V

K

-

A

-

E

D

H

N

L

L

E

V

D

S

A

F

I

L

L

Q

G

A

A

Y

Q

S

S

S

L

S

G

D

V

F

K

A

G

G

F

F

N

S

V
x
C

T

G

I

I

P

P

H

H

K
|
K

T

E

E

A

V

A

I

L

N

Q

Y

C

L

C

D

D

Y

E

L

V

D

D

I

P

A

L

A

A

G

K

L

S

I

I

G

G

A

A

V

V

N
|
N

T

T

I

I

E

L

F

R

G

R

K

K

N

S

G

D

A

G

-

K

-

L

V

L

G

G

H

Y

N

N

T

T

D
|
D

G

C

I

I

G

G

A

S

V

I

M

S

A

A

I

I

E

E

E

D

V

-

T

-

P

-

V

-

K

-

N

G

K

L

K

T

V

V

I

V

L

I

G

G

A

A

G

G

A

A

S

G

R

K

A

A

I

L

A

A

F

Y

Q

G

L

A

L

K

L

E

S

K

G

G

V

A

D

-

N

K

L

V

V

V

I

I

A

A

N

N

R

R

T

T

V

Y

E

E

K

R

A

-

G

-

E

-

L

-

K

-

T

-

D

E

L

L

V

A

E

E

K

A

L

I

D

G

H

-

E

A

V

L

R

S

V

L

S

T

G

D

L

L

D

D

E

N

N

-

L

-

T

-

Q

-

E

-

L

Y

S

E

D

D

T

G

A

M

I

V

L

L

I

A

N

N

T

T

P

S

V

M

G

G

M

M

Y

Q

P

P

N

N

V

V

D

E

E

E

K

T

P

P

V

I

V

S

T

K

A

D

E

A

M

L

M

K

H

H

P

Y

D

A

M

L

V

V

V

F

N

-

D

D

I

A

V

V

Y
|
Y

N

T

P

P

L

R

K

I

T

T

G

R

L

L

N

R

E

E

A

A

D

E

K

E

A

S

G

G

A

A

K

I

S

T

I

V

S

S

G

G

I

S

K

E

M

M

L

F

M

V

Y

R

Q
|
Q

G

A

V

Y

E

E

A

Q

F

F

K

E

I

I

W

F

T

T

G

G

I

L

E

P

P

A

P

P

V

K

E

E

I

L

F

Y

Q

W

R

Q

A

I

L

M

binding (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid: S247 (= S19), S249 (= S21), C291 (≠ V65), K296 (= K70), N317 (= N91), D334 (= D106), Y436 (= Y227), Q464 (= Q255)

Sites not aligning to the query:

active site: 70, 125, 152

Query Sequence

>WP_013644226.1 NCBI__GCF_000191585.1:WP_013644226.1
MITGKTNVFGIIGDPVEHSLSPGMHNAAFKELGMDNIYVPFQVKAEHLEDAILGAQSLGV
KGFNVTIPHKTEVINYLDYLDIAAGLIGAVNTIEFGKNGAVGHNTDGIGAVMAIEEVTPV
KNKKVVILGAGGASRAIAFQLLLSGVDNLVIANRTVEKAGELKTDLVEKLDHEVRVSGLD
ENLTQELSDTAILINTTPVGMYPNVDEKPVVTAEMMHPDMVVNDIVYNPLKTGLLNEADK
AGAKSISGIKMLMYQGVEAFKIWTGIEPPVEIFQRALMNELDLDEI

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