SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012466709.1 NCBI__GCF_000020465.1:WP_012466709.1 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)

3tnlA 1.45 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with shikimate and NAD.
33% identity, 95% coverage: 6:284/295 of query aligns to 11:284/288 of 3tnlA

query
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3tnlA

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binding nicotinamide-adenine-dinucleotide: M71 (≠ I67), G134 (= G130), A135 (≠ S131), G136 (= G132), G137 (= G133), A138 (= A134), N158 (≠ L153), R159 (≠ F154), D161 (≠ R156), F163 (≠ L158), T207 (= T203), V209 (≠ I205), M211 (≠ T207), F214 (≠ R210), V235 (≠ M235), Y237 (= Y237), M261 (= M261), M262 (≠ L262)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S23 (= S18), S25 (= S20), N68 (= N64), S70 (≠ T66), K74 (= K70), N95 (= N91), D110 (= D106), Q265 (= Q265)

3tozA 2.2 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with NAD.
33% identity, 95% coverage: 6:284/295 of query aligns to 14:287/291 of 3tozA

query
sites
3tozA

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binding nicotinamide-adenine-dinucleotide: G137 (= G130), A138 (≠ S131), G139 (= G132), G140 (= G133), A141 (= A134), N161 (≠ L153), R162 (≠ F154), D164 (≠ R156), F166 (≠ L158), T210 (= T203), G211 (≠ P204), V212 (≠ I205), M214 (≠ T207), F217 (≠ R210), V238 (≠ M235), Y240 (= Y237), G261 (= G258), M264 (= M261), M265 (≠ L262)

Q8Y9N5 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)
33% identity, 95% coverage: 6:284/295 of query aligns to 14:287/291 of Q8Y9N5

query
sites
Q8Y9N5

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SLS 26:28 (≠ SWS 18:20) binding shikimate
NRKD 161:164 (≠ LFVR 153:156) binding NAD(+)
M214 (≠ T207) binding NADP(+)

1o9bA Quinate/shikimate dehydrogenase ydib complexed with nadh (see paper)
34% identity, 95% coverage: 6:284/295 of query aligns to 2:275/280 of 1o9bA

query
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1o9bA

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binding 1,4-dihydronicotinamide adenine dinucleotide: A126 (≠ S131), G127 (= G132), G128 (= G133), A129 (= A134), R150 (= R156), F154 (≠ L158), K199 (≠ P204), V200 (≠ I205), M202 (≠ T207), C226 (≠ M235), Y228 (= Y237), M252 (= M261), L253 (= L262)

1npdB X-ray structure of shikimate dehydrogenase complexed with NAD+ from e.Coli (ydib) northeast structural genomics research consortium (nesg) target er24 (see paper)
34% identity, 95% coverage: 6:284/295 of query aligns to 8:281/288 of 1npdB

query
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1npdB

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L

L

P

P

F

F

I

T

Y

Y

T

M

I

A

F

F

N

E

I

V

A

-

E

D

P

N

Q

D

R

S

L

F

D

P

D

G

A

A

L

I

R

E

G

G

A

L

R

K

A

A

L

L

G

K

I

M

A

R

G

G

F

T

N

G

V

V

T

S

I

M

P

P

Y

N

K

K

Q

Q

D

L

V

A

V

C

P

E

L

Y

L

V

D

D

H

E

L

L

A

T

E

P

E

A

A

A

A

K

S

L

I

V

R

G

A

A

V

I

N

N

T

T

I

I

V

V

N

N

I

D

D

D

G

G

K

Y

L

L

T

R

G

G

Y

Y

N

N

T

T

D

D

I

G

E

T

G

G

F

H

A

I

A

R

P

A

L

I

L

K

S

E

C

S

R

G

D

F

S

D

I

I

A

K

G

G

M

K

P

T

V

M

S

V

V

L

F

L

G

G

S
x
A

G
|
G

A
|
A

S

S

L

T

A

A

-

I

-

G

-

A

-

Q

-

G

A

A

I

I

E

E

A

G

F

L

R

K

R

E

Y

-

F

-

K

-

P

-

S

-

I

-

I

I

Y

K

L

L

F

F

V
x
N

R
|
R

-

R

-
x
D

D

E

L
x
F

F

F

K

D

A

K

I

A

R

L

M

A

L

F

E

A

S

Q

Y

R

D

V

H

N

K

E

E

N

T

T

I

D

S

C

I

V

C

V

L

T

I

V

D

T

D

D

L

L

H

-

A

A

G

D

K

Q

N

Q

S

A

T

F

R

A

E

E

H

A

F

L

G

A

S

S

S

A

R

D

V

I

I

L

V

T

N

N

A

G

T
|
T

P
x
K

I
x
V

G

G

T
x
M

R

K

G

-

R

-

T

-

G

-

D

-

V

-

S

-

C

-

I

-

V

-

P

P

L

L

E

E

K

N

-

E

-

S

-

L

-

V

-

N

-

D

-

I

N

S

L

L

H

H

D

P

S

G

Q

L

I

L

V

V

Y

T

D

E

M
x
C

V

V

Y

Y

N

N

P

P

L

H

R

M

T

T

P

K

L

L

R

Q

A

Q

A

A

E

Q

L

Q

A

A

G

G

A

C

K

K

T

T

I

I

T

D

G

G

I

Y

E

G

M
|
M

L
|
L

I

L

G

W

Q

Q

A

G

A

A

R

E

S

Q

F

F

T

T

L

L

W

W

T

T

G

G

E

K

I

D

M

F

P

P

V

L

E

E

E

Y

V

V

R

K

binding nicotinamide-adenine-dinucleotide: A132 (≠ S131), G133 (= G132), G134 (= G133), A135 (= A134), N155 (≠ V155), R156 (= R156), D158 (vs. gap), F160 (≠ L158), T204 (= T203), K205 (≠ P204), V206 (≠ I205), M208 (≠ T207), C232 (≠ M235), M258 (= M261), L259 (= L262)

P0A6D5 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Escherichia coli (strain K12) (see 4 papers)
34% identity, 95% coverage: 6:284/295 of query aligns to 8:281/288 of P0A6D5

query
sites
P0A6D5

Q

E

I

L

L

I

G

G

L

L

I

M

G

A

R

Y

N

P

V

I

G

R

Y

H

S

S

W

L

S
|
S

P

P

L

E

I

M

H

Q

N

N

T

K

A

A

C

L

E

E

L

K

L

A

G

G

L

L

P

P

F

F

I

T

Y
|
Y

T

M

I

A

F

F

N

E

I

V

A

-

E

D

P

N

Q

D

R

S

L

F

D

P

D

G

A

A

L

I

R

E

G

G

A

L

R

K

A

A

L

L

G

K

I

M

A

R

G

G

F

T

N

G

V

V

T
x
S

I

M

P

P

Y

N

K
|
K

Q

Q

D

L

V

A

V

C

P

E

L

Y

L

V

D

D

H

E

L

L

A

T

E

P

E

A

A

A

A

K

S

L

I

V

R

G

A

A

V

I

N
|
N

T

T

I

I

V

V

N

N

I

D

D

D

G

G

K

Y

L

L

T

R

G

G

Y

Y

N

N

T
|
T

D
|
D

I

G

E

T

G

G

F

H

A

I

A

R

P

A

L

I

L

K

S

E

C

S

R

G

D

F

S

D

I

I

A

K

G

G

M

K

P

T

V

M

S

V

V

L

F

L

G

G

S
x
A

G
|
G

A
|
A

S

S

L

T

A

A

-

I

-

G

-

A

-

Q

-

G

A

A

I

I

E

E

A

G

F

L

R

K

R

E

Y

-

F

-

K

-

P

-

S

-

I

-

I

I

Y

K

L

L

F

F

V
x
N

R
|
R

-
x
R

-
x
D

D

E

L

F

F

F

K

D

A

K

I

A

R

L

M

A

L

F

E

A

S

Q

Y

R

D

V

H

N

K

E

E

N

T

T

I

D

S

C

I

V

C

V

L

T

I

V

D

T

D

D

L

L

H

-

A

A

G

D

K

Q

N

Q

S

A

T

F

R

A

E

E

H

A

F

L

G

A

S

S

S

A

R

D

V

I

I

L

V

T

N

N

A

G

T

T

P
x
K

I

V

G

G

T

M

R

K

G

-

R

-

T

-

G

-

D

-

V

-

S

-

C

-

I

-

V

-

P

P

L

L

E

E

K

N

-

E

-

S

-

L

-

V

-

N

-

D

-

I

N

S

L

L

H

H

D

P

S

G

Q

L

I

L

V

V

Y

T

D

E

M
x
C

V
|
V

Y
|
Y

N
|
N

P

P

L

H

R

M

T

T

P

K

L

L

R

Q

A

Q

A

A

E

Q

L

Q

A

A

G

G

A

C

K

K

T

T

I

I

T

D

G
|
G

I

Y

E

G

M

M

L

L

I

L

G

W

Q
|
Q

A

G

A

A

R

E

S

Q

F

F

T

T

L

L

W

W

T

T

G

G

E

K

I

D

M

F

P

P

V

L

E

E

E

Y

V

V

R

K

S22 (= S20) mutation to A: Kinetically unchanged as compared with the wild-type.
Y39 (= Y37) 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 (≠ SGGA 131:134) binding NAD(+)
NRRD 155:158 (≠ VR-- 155:156) binding NAD(+)
K205 (≠ P204) binding NAD(+)
CVYN 232:235 (≠ MVYN 235:238) binding NAD(+)
G255 (= G258) binding NAD(+)
Q262 (= Q265) mutation to A: 3-fold reduction in catalytic efficiency for both substrates.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
32% identity, 93% coverage: 6:279/295 of query aligns to 7:256/269 of O67049

query
sites
O67049

Q

Q

I

L

L

Y

G

G

L

V

I

I

G

G

R

F

N

P

V

V

G

K

Y

H

S
|
S

W
x
L

S
|
S

P

P

L

V

I

F

H

Q

N

N

T

A

A

L

C

I

E

R

L

Y

L

A

G

G

L

L

P

N

F

A

I

V

Y

Y

T

L

I

A

F

F

N

E

I

I

A

-

E

N

P

P

Q

E

R

E

L

L

D

K

A

A

L

F

R

E

G

G

A

F

R

K

A

A

L

L

G

K

I

V

A

K

G

G

F

I

N

N

V

V

T

T

I

V

P

P

Y

F

K

K

Q

E

D

E

V

I

P

P

L

L

D

D

H

Y

L

V

A

E

E
x
D

E

T

A

A

A

K

S

E

I

I

R

G

A

A

V

V

N
|
N

T

T

I

V

V

K

N

F

I

E

D

N

G

G

K

K

L

A

T

Y

G

G

Y

Y

N

N

T

T

D
|
D

I

W

E

I

G

G

F

F

A

L

A

K

P

S

L

L

L

K

S

S

C

L

R

I

D

P

S

E

I

V

A

K

G

E

M

K

P

S

V

I

S

L

V

V

F

L

G
|
G

S
x
A

G
|
G

A
|
A

S

S

L

R

A

A

A

V

I

I

E

Y

A

A

F

L

R

V

R

K

Y

-

F

-

K

E

P

G

S

A

I

K

I

V

Y

F

L

L

F

W

V

N

R

R

D

T

L

K

F

E

K

K

A

A

I

I

R

K

M

L

L

A

E

Q

S

K

Y

F

D

P

H

L

K

E

E

V

T

V

I

-

S

-

I

-

C

-

L

-

I

-

D

-

L

-

H

-

A

-

G

-

K

-

N

N

S

S

T

P

R

E

E

E

H

V

F

I

G

D

S

K

S

V

R

Q

V

V

I

I

V

V

N

N

A

T

T

T

P

S

I

V

G

G

T

L

R

K

G

D

R

K

T

D

G

P

D

E

D

I

V

F

S

N

C

Y

I

-

V

-

P

-

L

-

E

-

K

-

N

D

L

L

L

I

H

K

D

K

S

D

Q

H

I

V

V

V

Y

V

D

D

M
x
I

V

I

Y
|
Y

N

K

P

-

L

-

R

E

T

T

P

K

L

L

R

K

A

K

A

A

E

K

L

E

A

K

G

G

A

A

K

K

T

L

I

F

T

D

G
|
G

I

L

E

P

M

M

L

L

I

L

G

W

Q
|
Q

A

G

A

I

R

E

S

A

F

F

T

K

L

I

W

W

T

N

G

G

E

C

I

E

M

V

P

P

SLS 19:21 (≠ SWS 18:20) binding shikimate
D82 (≠ E82) binding NADP(+)
N91 (= N91) binding shikimate
D106 (= D106) binding shikimate
GAGGA 130:134 (≠ GSGGA 130:134) binding NADP(+)
I214 (≠ M235) binding NADP(+)
Y216 (= Y237) binding shikimate
G235 (= G258) binding NADP(+)
Q242 (= Q265) binding shikimate

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
32% identity, 93% coverage: 6:279/295 of query aligns to 7:256/267 of 2hk9B

query
sites
2hk9B

Q

Q

I

L

L

Y

G

G

L

V

I

I

G

G

R

F

N

P

V

V

G

K

Y

H

S
|
S

W

L

S
|
S

P

P

L

V

I

F

H

Q

N

N

T

A

A

L

C

I

E

R

L

Y

L

A

G

G

L

L

P

N

F

A

I

V

Y

Y

T

L

I

A

F

F

N

E

I

I

A

-

E

N

P

P

Q

E

R

E

L

L

D

K

A

A

L

F

R

E

G

G

A

F

R

K

A

A

L

L

G

K

I

V

A

K

G

G

F

I

N
|
N

V

V

T
|
T

I
x
V

P

P

Y

F

K
|
K

Q

E

D

E

V

I

P

P

L

L

D

D

H

Y

L

V

A

E

E

D

E

T

A

A

A

K

S

E

I

I

R

G

A

A

V

V

N
|
N

T

T

I

V

V

K

N

F

I

E

D

N

G

G

K

K

L

A

T

Y

G

G

Y

Y

N

N

T

T

D
|
D

I

W

E

I

G

G

F

F

A

L

A

K

P

S

L

L

L

K

S

S

C

L

R

I

D

P

S

E

I

V

A

K

G

E

M

K

P

S

V

I

S

L

V

V

F

L

G
|
G

S

A

G

G

G
|
G

A
|
A

S

S

L

R

A

A

A

V

I

I

E

Y

A

A

F

L

R

V

R

K

Y

-

F

-

K

E

P

G

S

A

I

K

I

V

Y

F

L

L

F

W

V
x
N

R
|
R

D
x
T

L

K

F

E

K
|
K

A

A

I

I

R

K

M

L

L

A

E

Q

S

K

Y

F

D

P

H

L

K

E

E

V

T

V

I

-

S

-

I

-

C

-

L

-

I

-

D

-

L

-

H

-

A

-

G

-

K

-

N

N

S

S

T

P

R

E

E

E

H

V

F

I

G

D

S

K

S

V

R

Q

V

V

I

I

V

V

N

N

A

T

T
|
T

P
x
S

I
x
V

G

G

T

L

R

K

G

D

R

E

T

D

G

P

D

E

D

I

V

F

S

N

C

Y

I

-

V

-

P

-

L

-

E

-

K

-

N

D

L

L

L

I

H

K

D

K

S

D

Q

H

I

V

V

V

Y

V

D

D

M
x
I

V

I

Y
|
Y

N

K

P

-

L

-

R

E

T

T

P

K

L

L

R

K

A

K

A

A

E

K

L

E

A

K

G

G

A

A

K

K

T

L

I

L

T

D

G

G

I

L

E

P

M
|
M

L
|
L

I

L

G

W

Q
|
Q

A

G

A

I

R

E

S

A

F

F

T

K

L

I

W

W

T

N

G

G

E

C

I

E

M

V

P

P

binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (≠ I67), G130 (= G130), G133 (= G133), A134 (= A134), N153 (≠ V155), R154 (= R156), T155 (≠ D157), K158 (= K160), T188 (= T203), S189 (≠ P204), V190 (≠ I205), I214 (≠ M235), M238 (= M261), L239 (= L262)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S18), S21 (= S20), N64 (= N64), T66 (= T66), K70 (= K70), N91 (= N91), D106 (= D106), Y216 (= Y237), L239 (= L262), Q242 (= Q265)

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
32% identity, 93% coverage: 6:279/295 of query aligns to 7:256/269 of 2hk9A

query
sites
2hk9A

Q

Q

I

L

L

Y

G

G

L

V

I

I

G

G

R

F

N

P

V

V

G

K

Y

H

S
|
S

W

L

S
|
S

P

P

L

V

I

F

H

Q

N

N

T

A

A

L

C

I

E

R

L

Y

L

A

G

G

L

L

P

N

F

A

I

V

Y

Y

T

L

I

A

F

F

N

E

I

I

A

-

E

N

P

P

Q

E

R

E

L

L

D

K

A

A

L

F

R

E

G

G

A

F

R

K

A

A

L

L

G

K

I

V

A

K

G

G

F

I

N
|
N

V

V

T

T

I
x
V

P

P

Y

F

K
|
K

Q

E

D

E

V

I

P

P

L

L

D

D

H

Y

L

V

A

E

E

D

E

T

A

A

A

K

S

E

I

I

R

G

A

A

V

V

N
|
N

T

T

I

V

V

K

N

F

I

E

D

N

G

G

K

K

L

A

T

Y

G

G

Y

Y

N

N

T

T

D
|
D

I

W

E

I

G

G

F

F

A

L

A

K

P

S

L

L

L

K

S

S

C

L

R

I

D

P

S

E

I

V

A

K

G

E

M

K

P

S

V

I

S

L

V

V

F

L

G

G

S

A

G
|
G

A
|
A

S

S

L

R

A

A

A

V

I

I

E

Y

A

A

F

L

R

V

R

K

Y

-

F

-

K

E

P

G

S

A

I

K

I

V

Y

F

L

L

F

W

V
x
N

R
|
R

D
x
T

L

K

F

E

K

K

A

A

I

I

R

K

M

L

L

A

E

Q

S

K

Y

F

D

P

H

L

K

E

E

V

T

V

I

-

S

-

I

-

C

-

L

-

I

-

D

-

L

-

H

-

A

-

G

-

K

-

N

N

S

S

T

P

R

E

E

E

H

V

F

I

G

D

S

K

S

V

R

Q

V

V

I

I

V

V

N

N

A

T

T
|
T

P
x
S

I
x
V

G

G

T

L

R

K

G

D

R

E

T

D

G

P

D

E

D

I

V

F

S

N

C

Y

I

-

V

-

P

-

L

-

E

-

K

-

N

D

L

L

L

I

H

K

D

K

S

D

Q

H

I

V

V

V

Y

V

D

D

M

I

V

I

Y
|
Y

N

K

P

-

L

-

R

E

T

T

P

K

L

L

R

K

A

K

A

A

E

K

L

E

A

K

G

G

A

A

K

K

T

L

I

L

T

D

G

G

I

L

E

P

M

M

L
|
L

I

L

G

W

Q
|
Q

A

G

A

I

R

E

S

A

F

F

T

K

L

I

W

W

T

N

G

G

E

C

I

E

M

V

P

P

binding 2'-monophosphoadenosine-5'-diphosphate: V67 (≠ I67), G132 (= G132), G133 (= G133), A134 (= A134), N153 (≠ V155), R154 (= R156), T155 (≠ D157), T188 (= T203), S189 (≠ P204), V190 (≠ I205)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S18), S21 (= S20), N64 (= N64), K70 (= K70), N91 (= N91), D106 (= D106), Y216 (= Y237), L239 (= L262), Q242 (= Q265)

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
34% identity, 97% coverage: 6:291/295 of query aligns to 12:285/287 of 1nvtB

query
sites
1nvtB

Q

K

I

V

L

I

G

G

L

L

I

I

G

G

R

H

N

P

V

V

G
x
E

Y
x
H

S

S

W

F

S

S

P

P

L

I

I

M

H

H

N

N

T

A

A

A

C

F

E

K

L

D

L

K

G

G

L

L

P

N

F

Y

I

V

Y

Y

T

V

I

A

F

F

N

D

I

V

A

L

E

-

P

P

Q

E

R

N

L

L

D

K

D

Y

A

V

L

I

R

D

G

G

A

A

R

K

A

A

L

L

G

G

I

I

A

V

G

G

F

F

N

N

V

V

T

T

I
|
I

P

P

Y

H

K
|
K

Q

I

D

E

V

I

V

M

P

K

L

Y

L

L

D

D

H

E

L

I

A

D

E

K

E

D

A

A

A

Q

S

L

I

I

R

G

A

A

V

V

N

N

T

T

I

I

V

K

N

I

I

E

D

D

G

G

K

K

L

A

T

I

G

G

Y

Y

N

N

T

T

D
|
D

I

-

E

-

G

-

F

-

A

-

P

-

L

-

S

-

C

-

R

-

D

-

S

-

I

-

A

-

G

G

M

I

P

-

V

-

S

-

V

-

F

-

G

-

S

-

G

-

G

G

A

A

S

R

L

M

A

A

A

L

I

E

E

E

A

E

F

I

R

G

R

R

Y

V

F

K

K

D

P

K

S

N

I

I

I

V

Y

I

L

Y

F
x
G

V

A

R
x
G

D
x
G

L
x
A

F

A

K

R

A

A

I

V

R

A

M

F

L

E

E

L

S

A

Y

K

D

D

H

N

K

N

E

I

T

I

I

I

S

A

I
x
N

C
x
R

L
x
T

I

V

D

E

D
x
K

L

A

H

E

A

A

G

L

K

A

N

K

S

E

T

I

R

A

E

E

-

K

-

L

-

N

-

K

H

K

F

F

G

G

S

E

-

V

-

K

-

F

-

S

-

G

-

L

-

D

-

V

-

D

-

L

-

D

-

G

-

V

R

D

V

I

I

I

V

I

N

N

A
|
A

T
|
T

P
|
P

I
|
I

G

G

T
x
M

R

Y

G

P

R

N

T

I

G

-

D

-

D

D

V

V

S

E

C

P

I

I

V

V

P

K

L

A

E

E

K

K

N

-

L

-

L

L

H

R

D

E

S

D

Q

M

I

V

V

V

Y

M

D

D

M
x
L

V

I

Y
|
Y

N

N

P

P

L

L

R

E

T

T

P

V

L

L

R

K

A

E

A

A

E

K

L

K

A

V

G

N

A

A

K

K

T

T

I

I

T

N

G

G

I

L

E

G

M
|
M

L
|
L

I

I

G

Y

Q

Q

A

G

A

A

R

V

S

A

F

F

T

K

L

I

W

W

T

T

G

G

E

V

I

E

M

P

P

N

V

I

E

E

E

V

V

M

R

K

T

N

Q

A

L

I

I

I

R

D

H

K

I

I

active site: K75 (= K70), D111 (= D106)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I72 (= I67), G135 (≠ F154), G137 (≠ R156), G138 (≠ D157), A139 (≠ L158), N157 (≠ I176), R158 (≠ C177), T159 (≠ L178), K162 (≠ D181), A200 (= A202), T201 (= T203), P202 (= P204), I203 (= I205), M205 (≠ T207), L229 (≠ M235), Y231 (= Y237), M255 (= M261), L256 (= L262)
binding zinc ion: E22 (≠ G16), H23 (≠ Y17)

1nvtA Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
34% identity, 97% coverage: 6:291/295 of query aligns to 12:285/287 of 1nvtA

query
sites
1nvtA

Q

K

I

V

L

I

G

G

L

L

I

I

G

G

R

H

N

P

V

V

G

E

Y

H

S

S

W

F

S

S

P

P

L

I

I

M

H

H

N

N

T

A

A

A

C

F

E

K

L

D

L

K

G

G

L

L

P

N

F

Y

I

V

Y

Y

T

V

I

A

F

F

N

D

I

V

A

L

E

-

P

P

Q

E

R

N

L

L

D

K

D

Y

A

V

L

I

R

D

G

G

A

A

R

K

A

A

L

L

G

G

I

I

A

V

G

G

F

F

N

N

V

V

T

T

I

I

P

P

Y

H

K
|
K

Q

I

D

E

V

I

V

M

P

K

L

Y

L

L

D

D

H

E

L

I

A

D

E

K

E

D

A

A

A

Q

S

L

I

I

R

G

A

A

V

V

N

N

T

T

I

I

V

K

N

I

I

E

D

D

G

G

K

K

L

A

T

I

G

G

Y

Y

N

N

T

T

D
|
D

I

-

E

-

G

-

F

-

A

-

P

-

L

-

S

-

C

-

R

-

D

-

S

-

I

-

A

-

G

G

M

I

P

-

V

-

S

-

V

-

F

-

G

-

S

-

G

-

G

G

A

A

S

R

L

M

A

A

A

L

I

E

E

E

A

E

F

I

R

G

R

R

Y

V

F

K

K

D

P

K

S

N

I

I

I

V

Y

I

L

Y

F
x
G

V

A

R

G

D

G

L
x
A

F

A

K

R

A

A

I

V

R

A

M

F

L

E

E

L

S

A

Y

K

D

D

H

N

K

N

E

I

T

I

I

I

S

A

I
x
N

C
x
R

L
x
T

I

V

D

E

D
x
K

L

A

H

E

A

A

G

L

K

A

N

K

S

E

T

I

R

A

E

E

-

K

-

L

-

N

-

K

H

K

F

F

G

G

S

E

-

V

-

K

-

F

-

S

-

G

-

L

-

D

-

V

-

D

-

L

-

D

-

G

-

V

R

D

V

I

I

I

V

I

N

N

A
|
A

T
|
T

P
|
P

I
|
I

G

G

T
x
M

R

Y

G

P

R

N

T

I

G

-

D

-

D

D

V

V

S

E

C

P

I

I

V

V

P

K

L

A

E

E

K

K

N

-

L

-

L

L

H

R

D

E

S

D

Q

M

I

V

V

V

Y

M

D

D

M
x
L

V

I

Y
|
Y

N

N

P

P

L

L

R

E

T

T

P

V

L

L

R

K

A

E

A

A

E

K

L

K

A

V

G

N

A

A

K

K

T

T

I

I

T

N

G
|
G

I

L

E

G

M
|
M

L
|
L

I

I

G

Y

Q

Q

A

G

A

A

R

V

S

A

F

F

T

K

L

I

W

W

T

T

G

G

E

V

I

E

M

P

P

N

V

I

E

E

E

V

V

M

R

K

T

N

Q

A

L

I

I

I

R

D

H

K

I

I

active site: K75 (= K70), D111 (= D106)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G135 (≠ F154), A139 (≠ L158), N157 (≠ I176), R158 (≠ C177), T159 (≠ L178), K162 (≠ D181), A200 (= A202), T201 (= T203), P202 (= P204), I203 (= I205), M205 (≠ T207), L229 (≠ M235), Y231 (= Y237), G252 (= G258), M255 (= M261), L256 (= L262)

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)
34% identity, 97% coverage: 6:291/295 of query aligns to 7:280/282 of Q58484

query
sites
Q58484

Q

K

I

V

L

I

G

G

L

L

I

I

G

G

R

H

N

P

V

V

G

E

Y

H

S

S

W

F

S

S

P

P

L

I

I

M

H

H

N

N

T

A

A

A

C

F

E

K

L

D

L

K

G

G

L

L

P

N

F

Y

I

V

Y

Y

T

V

I

A

F

F

N

D

I

V

A

L

E

-

P

P

Q

E

R

N

L

L

D

K

D

Y

A

V

L

I

R

D

G

G

A

A

R

K

A

A

L

L

G

G

I

I

A

V

G

G

F

F

N

N

V

V

T

T

I

I

P

P

Y

H

K

K

Q

I

D

E

V

I

V

M

P

K

L

Y

L

L

D

D

H

E

L

I

A

D

E

K

E

D

A

A

A

Q

S

L

I

I

R

G

A

A

V

V

N

N

T

T

I

I

V

K

N

I

I

E

D

D

G

G

K

K

L

A

T

I

G

G

Y

Y

N

N

T

T

D

D

I

-

E

-

G

-

F

-

A

-

P

-

L

-

S

-

C

-

R

-

D

-

S

-

I

-

A

-

G

G

M

I

P

-

V

-

S

-

V

-

F

-

G

-

S

-

G

-

G

G

A

A

S

R

L

M

A

A

A

L

I

E

E

E

A

E

F

I

R

G

R

R

Y

V

F

K

K

D

P

K

S

N

I

I

I

V

Y

I

L

Y

F
x
G

V
x
A

R
x
G

D
x
G

L
x
A

F

A

K

R

A

A

I

V

R

A

M

F

L

E

E

L

S

A

Y

K

D

D

H

N

K

N

E

I

T

I

I

I

S

A

I
x
N

C
x
R

L
x
T

I
x
V

D
x
E

D
x
K

L

A

H

E

A

A

G

L

K

A

N

K

S

E

T

I

R

A

E

E

-

K

-

L

-

N

-

K

H

K

F

F

G

G

S

E

-

V

-

K

-

F

-

S

-

G

-

L

-

D

-

V

-

D

-

L

-

D

-

G

-

V

R

D

V

I

I

I

V

I

N

N

A

A

T
|
T

P

P

I

I

G

G

T
x
M

R

Y

G

P

R

N

T

I

G

-

D

-

D

D

V

V

S

E

C

P

I

I

V

V

P

K

L

A

E

E

K

K

N

-

L

-

L

L

H

R

D

E

S

D

Q

M

I

V

V

V

Y

M

D

D

M
x
L

V

I

Y

Y

N

N

P

P

L

L

R

E

T

T

P

V

L

L

R

K

A

E

A

A

E

K

L

K

A

V

G

N

A

A

K

K

T

T

I

I

T

N

G

G

I

L

E

G

M

M

L

L

I

I

G

Y

Q

Q

A

G

A

A

R

V

S

A

F

F

T

K

L

I

W

W

T

T

G

G

E

V

I

E

M

P

P

N

V

I

E

E

E

V

V

M

R

K

T

N

Q

A

L

I

I

I

R

D

H

K

I

I

GAGGA 130:134 (≠ FVRDL 154:158) binding NADP(+)
NRTVEK 152:157 (≠ ICLIDD 176:181) binding NADP(+)
T196 (= T203) binding NADP(+)
M200 (≠ T207) binding NADP(+)
L224 (≠ M235) binding NADP(+)

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
32% identity, 91% coverage: 8:275/295 of query aligns to 3:249/269 of Q5HNV1

query
sites
Q5HNV1

L

F

G

A

L

V

I

I

G

G

R

N

N

P

V

I

G

S

Y

H

S
|
S

W
x
L

S
|
S

P

P

L

L

I

M

H

H

N

H

T

A

A

N

C

F

E

Q

L

S

L

L

G

N

L

L

P

E

F

N

I

T

Y

Y

T

E

I

A

F

I

N

N

I

V

A

P

E

V

P

N

Q

Q

R

-

L

F

D

Q

D

D

A

I

L

K

R

K

G

I

A

I

R

S

A

E

L

K

G

S

I

I

A

D

G

G

F

F

N

N

V

V

T
|
T

I

I

P

P

Y

H

K

K

Q

E

D

R

V

I

P

P

L

Y

L

L

D

D

H

D

L

I

A

N

E

E

E

Q

A

A

A

K

S

S

I

V

R

G

A

A

V

V

N
|
N

T

T

I

V

V

L

N

V

I

K

D

D

G

G

K

K

L

W

T

I

G

G

Y

Y

N

N

T

T

D
|
D

I

G

E

I

G

G

F

Y

A

V

A

N

P

G

L

L

L

K

S

Q

C

I

R

Y

D

E

S

G

I

I

A

E

G

D

M

A

P

Y

V

I

S

L

V

I

F

L

G

G

S

A

G

G

A

A

S

S

L

K

A

G

A

I

I

A

E

N

A

E

F

L

R

Y

R

K

Y

I

F

V

K

R

P

P

S

T

I

-

Y

-

L

-

F

-

V

-

R

-

D

-

L

L

F

T

K

V

A

A

I

N

R

R

M

T

L

M

E

S

S

R

Y

F

D

N

H

N

K

-

E

W

T

S

I

L

S

N

I

I

C

N

L

K

I

I

D

N

D

L

L

S

H

H

A

A

G

-

K

-

N

-

S

-

T

-

R

E

E

S

H

H

F

L

G

D

S

E

S

F

R

D

V

I

I

I

V

I

N

N

A

T

T

T

P

P

I

A

G

G

T

M

R

N

G

G

R

N

T

T

G

D

D

S

D

V

V

I

S

S

C

L

I

-

V

-

P

-

L

-

E

-

K

-

N

N

L

R

L

L

H

A

D

S

S

H

Q

T

I

L

V

V

Y

S

D

D

M

I

V

V

Y
|
Y

N

N

P

P

L

Y

R

K

T

T

P

P

L

I

L

L

R

I

A

E

A

A

E

E

L

Q

A

R

G

G

A

N

K

P

T

I

I

Y

T

N

G

G

I

L

E

D

M

M

L

F

I

V

G

H

Q
|
Q

A

G

A

A

R

E

S

S

F

F

T

K

L

I

W

W

T

T

G

N

SLS 13:15 (≠ SWS 18:20) binding shikimate
T60 (= T66) binding shikimate
N85 (= N91) binding shikimate
D100 (= D106) binding shikimate
Y211 (= Y237) 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 (= Q265) binding shikimate

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
31% identity, 91% coverage: 8:275/295 of query aligns to 3:240/258 of 3dooA

query
sites
3dooA

L

F

G

A

L

V

I

I

G

G

R

N

N

P

V

I

G

S

Y

H

S
|
S

W

L

S
|
S

P

P

L

L

I

M

H

H

N

H

T

A

A

N

C

F

E

Q

L

S

L

L

G

N

L

L

P

E

F

N

I

T

Y

Y

T

E

I

A

F

I

N

N

I

V

A

P

E

V

P

N

Q

Q

R

-

L

F

D

Q

D

D

A

I

L

K

R

K

G

I

A

I

R

S

A

E

L

K

G

S

I

I

A

D

G

G

F

F

N
|
N

V

V

T
|
T

I

I

P

P

Y

H

K
|
K

Q

E

D

R

V

I

P

P

L

Y

L

L

D

D

H

D

L

I

A

N

E

E

E

Q

A

A

A

K

S

S

I

V

R

G

A

A

V

V

N
|
N

T

T

I

V

V

L

N

V

I

K

D

D

G

G

K

K

L

W

T

I

G

G

Y

Y

N

N

T

T

D
|
D

I

G

E

I

G

G

F

Y

A

V

A

N

P

G

L

L

L

K

S

Q

C

I

R

Y

D

E

S

G

I

I

A

E

G

D

M

A

P

Y

V

I

S

L

V

I

F

L

G

G

S

A

G

G

A

A

S

S

L

K

A

G

A

I

I

A

E

N

A

E

F

L

R

Y

R

K

Y

I

F

V

K

R

P

P

S

T

I

-

Y

-

L

-

F

-

V

-

R

-

D

-

L

L

F

T

K

V

A

A

I

N

R

R

M

T

L

M

E

S

S

R

Y

F

D

N

H

N

K

-

E

W

T

S

I

L

S

N

I

I

C

N

L

K

I

I

D

N

D

L

L

S

H

H

A

A

G

-

K

-

N

-

S

-

T

-

R

E

E

S

H

H

F

L

G

D

S

E

S

F

R

D

V

I

I

I

V

I

N

N

A

T

T

T

P

P

I

V

G

I

T

S

R

L

G

N

R

R

T

-

G

-

D

-

V

-

S

-

C

-

I

-

V

-

P

-

L

-

E

-

K

-

N

-

L

-

L

L

H

A

D

S

S

H

Q

T

I

L

V

V

Y

S

D

D

M

I

V

V

Y

Y

N

N

P

P

L

Y

R

K

T

T

P

P

L

I

L

L

R

I

A

E

A

A

E

E

L

Q

A

R

G

G

A

N

K

P

T

I

I

Y

T

N

G

G

I

L

E

D

M

M

L
x
F

I

V

G

H

Q
|
Q

A

G

A

A

R

E

S

S

F

F

T

K

L

I

W

W

T

T

G

N

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S13 (= S18), S15 (= S20), N58 (= N64), T60 (= T66), K64 (= K70), N85 (= N91), D100 (= D106), F227 (≠ L262), Q230 (= Q265)

Q8ZPR4 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
31% identity, 95% coverage: 6:284/295 of query aligns to 8:281/288 of Q8ZPR4

query
sites
Q8ZPR4

Q

E

I

L

L

I

G

G

L

L

I

M

G

A

R

Y

N

P

V

I

G

R

Y

H

S

S

W

L

S

S

P

P

L

E

I

M

H

Q

N

N

T

K

A

A

C

L

E

E

L

K

L

A

G

G

L

L

P

P

F

Y

I

T

Y

Y

T

M

I

A

F

F

N

E

I

V

A

-

E

D

P

N

Q

T

R

T

L

F

D

A

D

S

A

A

L

I

R

E

G

G

A

L

R

K

A

A

L

L

G

K

I

M

A

R

G

G

F

T

N

G

V

V

T

S

I

M

P

P

Y

N

K

K

Q

Q

D

L

V

A

V

C

P

E

L

Y

L

V

D

D

H

E

L

L

A

T

E

P

E

A

A

A

A

K

S

L

I

V

R

G

A

A

V

I

N

N

T

T

I

I

V

V

N

N

I

D

D

D

G

G

K

Y

L

L

T

R

G

G

Y

Y

N

N

T

T

D

D

I

G

E

T

G

G

F

H

A

I

A

R

P

A

L

I

L

K

S

E

C

S

R

G

D

F

S

D

I

M

A

R

G

G

M

K

P

T

V

M

S

V

V

L

F

L

-

G

-
x
A

-
x
G

-
x
A

G

A

S

T

G

A

G

I

A

G

S

A

L

Q

A

A

I

I

E

E

A

G

F

I

R

K

R

E

Y

-

F

-

K

-

P

-

S

-

I

-

I

I

Y

K

L

L

F

F

V
x
N

R
|
R

-
x
K

-
x
D

D

D

L

F

F

F

K

E

A

K

I

A

R

V

M

A

L

F

E

A

S

K

Y

R

D

V

H

N

K

E

E

N

T

T

I

D

S

C

I

V

C

V

L

T

I

V

D

T

D

D

L

L

H

-

A

A

G

D

K

Q

N

H

S

A

T

F

R

T

E

E

H

A

F

L

G

A

S

S

S

A

R

D

V

I

I

L

V

T

N

N

A

G

T

T

P
x
K

I

V

G

G

T

M

R

K

G

-

R

-

T

-

G

-

D

-

V

-

S

-

C

-

I

-

V

-

P

P

L

L

E

E

K

N

-

E

-

S

-

L

-

I

-

G

-

D

-

V

N

S

L

L

H

R

D

P

S

E

Q

L

I

L

V

V

Y

T

D

E

M
x
C

V
|
V

Y
|
Y

N
|
N

P

P

L

H

R

M

T

T

P

K

L

L

R

Q

A

Q

A

A

E

Q

L

Q

A

A

G

G

A

C

K

K

T

T

I

I

T

D

G
|
G

I

Y

E

G

M

M

L

L

I

L

G

W

Q

Q

A

G

A

A

R

E

S

Q

F

F

T

E

L

L

W

W

T

T

G

G

E

K

I

A

M

F

P

P

V

L

E

D

E

Y

V

V

R

K

AGGA 132:135 (vs. gap) binding NAD(+)
NRKD 155:158 (≠ VR-- 155:156) binding NAD(+)
K205 (≠ P204) binding NAD(+)
CVYN 232:235 (≠ MVYN 235:238) binding NAD(+)
G255 (= G258) binding NAD(+)

P44774 Shikimate dehydrogenase-like protein HI_0607; SDH-L; EC 1.1.1.25 from Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) (see paper)
31% identity, 96% coverage: 2:283/295 of query aligns to 4:259/271 of P44774

query
sites
P44774

K

K

P

D

S

T

K

Q

Q

L

I

C

L

M

G

S

L

L

I

S

G

G

R

R

-

P

-

S

N

N

V

F

G

G

Y

T

S

T

W

F

S

-

P

-

L

-

I

-

H

H

N

N

T

Y

A

L

C

Y

E

D

L

K

L

L

G

G

L

L

P

N

F

F

I

I

Y

Y

T

K

I

A

F

F

N

T

I

-

A

-

E

-

P

T

Q

Q

R

D

L

I

D

E

D

H

A

A

L

I

R

K

G

G

A

V

R

R

A

A

L

L

G

G

I

I

A

R

G

G

F

C

N

A

V

V

T

S

I

M

P

P

Y

F

K
|
K

Q

E

D

T

V

C

V

M

P

P

L

F

L

L

D

D

H

E

L

I

A

H

E

P

E

S

A

A

A

Q

S

A

I

I

R

E

A

S

V

V

N

N

T

T

I

I

V

V

N

N

I

D

D

N

G

G

K

F

L

L

T

R

G

A

Y

Y

N

N

T

T

D
|
D

I

Y

E

I

G

A

F

I

A

-

A

V

P

K

L

L

L

I

S

E

C

K

R

Y

D

H

S

L

I

N

A

K

G

N

M

A

P

K

V

V

S

I

V

V

F

H

G

G

S

S

G

G

A

M

S

A

L

K

A

A

A

V

I

V

E

A

A

A

F

F

R

K

R

N

Y

S

-

G

F

F

K

E

P

K

S

L

I

K

I

I

Y

Y

L

-

F

-

V

A

R

R

D

N

L

V

F

K

K

T

A

G

I

Q

R

Y

M

L

L

A

E

A

S

L

Y

Y

D

G

H

Y

K

-

E

-

T

-

I

-

S

-

I

-

C

A

L

Y

I

I

D

N

D

S

L

L

H

E

A

N

G

Q

K

Q

N

-

S

-

T

-

R

-

E

-

H

-

F

-

G

-

S

-

S

A

R

D

V

I

I

L

V

V

N

N

A

V

T

T

P

S

I

I

G

G

T

M

R

K

G

G

R

G

T

K

G

-

D

E

V

M

S

D

C

L

I

A

V

F

P

P

L

-

E

-

K

K

N

A

L

F

L

I

H

D

D

N

S

A

Q

S

I

V

V

A

Y

F

D

D

M

V

V

V

Y

A

N

M

P

P

L

V

R

E

T

T

P

P

L

F

L

I

R

R

A

Y

A

A

E

Q

L

A

A

R

G

G

A

K

K

Q

T

T

I

I

T

S

G

G

I

A

E

A

M

V

L

I

I

V

G

L

Q

Q

A

A

A

V

R

E

S

Q

F

F

T

E

L

L

W

Y

T

T

G

H

E

Q

I

-

M

R

P

P

V

S

E

D

E

E

V

L

K67 (= K70) mutation K->A,H,N: Loss of activity.
D103 (= D106) mutation D->A,N: Loss of activity.

Q9X5C9 Quinate/shikimate dehydrogenase (NAD(+)); QSDH; EC 1.1.1.-; EC 1.1.1.24 from Corynebacterium glutamicum (strain ATCC 13032 / DSM 20300 / JCM 1318 / BCRC 11384 / CCUG 27702 / LMG 3730 / NBRC 12168 / NCIMB 10025 / NRRL B-2784 / 534) (see paper)
31% identity, 91% coverage: 7:275/295 of query aligns to 6:268/283 of Q9X5C9

query
sites
Q9X5C9

I

L

L

L

G

G

L

L

I

I

G

G

R

Q

N

G

V

L

G

D

Y

L

S
|
S

W
x
R

S
x
T

P

P

L

A

I

M

H

H

N

E

T

A

A

E

C

G

E

L

L

A

L

Q

G

G

L

R

P

A

F

T

I

V

Y

Y

-

R

-

I

-

D

T

T

I

L

F

G

N

S

I

R

A

A

E

S

P

G

Q

Q

R

D

L

L

D

K

D

T

A

L

L

L

R

D

G

A

A

A

R

L

A

Y

L

L

G

G

I

F

A

N

G

G

F

L

N

N

V

I

T
|
T

I

H

P

P

Y

Y

K
|
K

Q

Q

D

A

V

V

V

L

P

P

L

L

D

D

H

E

L

V

A

S

E

E

E

Q

A

A

A

T

S

Q

I

L

R

G

A

A

V

V

N
|
N

T

T

I

V

V

V

-

I

N

D

I

A

D

T

G

G

K

H

L

T

T

T

G

G

Y

H

N

N

T

T

D
|
D

I

V

E

S

G

G

F

F

A

G

A

-

P

-

L

-

S

-

C

-

R

R

D

G

S

M

I

E

A

E

G

G

M

L

P

P

V

N

S

A

V

K

F

L

G

D

S

S

G

-

A

-

S

-

L

-

A

-

A

V

I

V

E

Q

A

V

F

G

R

A

R

G

Y
x
G

F
x
V

K

G

P

N

S

A

I

V

I

A

Y

Y

L

A

F

L

V

V

R

T

D

-

L

-

F

-

K

H

A

G

I

V

R

Q

M

K

L

L

E

Q

S

V

Y

A

D
|
D

H

L

K

D

E

T

T

S

I
x
R

S

A

I

Q

C

A

L

L

I

A

D

D

D

V

L

I

H

N

-

N

-

A

A

V

G

G

K

R

N

E

S

A

T

V

-

V

-

G

-

V

-

D

-

A

-

R

-

G

-

I

R

E

E

D

H

V

F

I

G

A

S

A

R

D

V

G

I

V

V

V

N

N

A

A

T

T

P
|
P

I
x
M

G
|
G

T
x
M

R

P

G

A

R

H

T

P

G

G

D

T

-
x
A

-

F

D

D

V

V

S

S

C

C

I

L

V

T

P

K

L

-

E

-

K

-

N

-

L

-

H

-

D

-

S

D

Q

H

I

W

V

V

Y

G

D

D

M
x
V

V

V

Y

Y

N

M

P

P

L

I

R

E

T

T

P

E

L

L

R

K

A

A

E

R

L

A

A

L

G

G

A

C

K

E

T

T

I

L

T

D

G
|
G

I

T

E

R

M

M

L

A

I

I

G

H

Q
|
Q

A

A

A

V

R

D

S

A

F

F

T

R

L

L

W

F

T

T

G

G

S17 (= S18) binding shikimate
SRT 17:19 (≠ SWS 18:20) binding L-quinate
T69 (= T66) binding L-quinate; binding shikimate
K73 (= K70) active site, Proton acceptor; binding L-quinate; binding shikimate
N94 (= N91) binding L-quinate; binding shikimate
D110 (= D106) binding L-quinate; binding shikimate
GV 137:138 (≠ YF 145:146) binding NAD(+)
D158 (= D169) binding NAD(+)
R163 (≠ I174) binding NAD(+)
PMGM 203:206 (≠ PIGT 204:207) binding NAD(+)
A213 (vs. gap) binding NAD(+)
V228 (≠ M235) binding NAD(+)
G251 (= G258) binding NAD(+)
Q258 (= Q265) binding L-quinate; binding shikimate

3jyqA Quinate dehydrogenase from corynebacterium glutamicum in complex with shikimate and nadh (see paper)
31% identity, 91% coverage: 7:275/295 of query aligns to 5:267/282 of 3jyqA

query
sites
3jyqA

I

L

L

L

G

G

L

L

I

I

G

G

R

Q

N

G

V

L

G

D

Y

L

S
|
S

W

R

S

T

P

P

L

A

I

M

H

H

N

E

T

A

A

E

C

G

E

L

L

A

L

Q

G

G

L

R

P

A

F

T

I

V

Y

Y

-

R

-

I

-

D

T

T

I

L

F

G

N

S

I

R

A

A

E

S

P

G

Q

Q

R

D

L

L

D

K

D

T

A

L

L

L

R

D

G

A

A

A

R

L

A

Y

L

L

G

G

I

F

A

N

G

G

F

L

N
|
N

V

I

T
|
T

I

H

P

P

Y

Y

K

K

Q

Q

D

A

V

V

V

L

P

P

L

L

D

D

H

E

L

V

A

S

E

E

E

Q

A

A

A

T

S

Q

I

L

R

G

A

A

V

V

N
|
N

T

T

I

V

V

V

-

I

N

D

I

A

D

T

G

G

K

H

L

T

T

T

G

G

Y

H

N

N

T

T

D
|
D

I

V

E

S

G

G

F

F

A

G

A

-

P

-

L

-

S

-

C

-

R

R

D

G

S

M

I

E

A

E

G

G

M

L

P

P

V

N

S

A

V

K

F

L

G

D

S

S

G

-

A

-

S

-

L

-

A

-

A

V

I

V

E

Q

A
x
V

F

G

R

A

R
x
G

Y
x
G

F
x
V

K

G

P

N

S

A

I

V

I

A

Y

Y

L

A

F

L

V

V

R

T

D

-

L

-

F

-

K

H

A

G

I

V

R

Q

M

K

L

L

E

Q

S

V

Y

A

D
|
D

H
x
L

K

D

E

T

T

S

I
x
R

S

A

I

Q

C

A

L

L

I

A

D

D

D

V

L

I

H

N

-

N

-

A

A

V

G

G

K

R

N

E

S

A

T

V

-

V

-

G

-

V

-

D

-

A

-

R

-

G

-

I

R

E

E

D

H

V

F

I

G

A

S

A

R

D

V

G

I

V

V

V

N

N

A

A

T
|
T

P
|
P

I

M

G

G

T
x
M

R

P

G

A

R

H

T

P

G

G

D

T

-

A

-

F

D

D

V

V

S

S

C

C

I

L

V

T

P

K

L

-

E

-

K

-

N

-

L

-

H

-

D

-

S

D

Q

H

I

W

V

V

Y

G

D

D

M
x
V

V

V

Y

Y

N

M

P

P

L

I

R

E

T

T

P

E

L

L

R

K

A

A

E

R

L

A

A

L

G

G

A

C

K

E

T

T

I

L

T

D

G

G

I

T

E

R

M

M

L
x
A

I

I

G

H

Q
|
Q

A

A

A

V

R

D

S

A

F

F

T

R

L

L

W

F

T

T

G

G

binding nicotinamide-adenine-dinucleotide: V132 (≠ A141), G135 (≠ R144), G136 (≠ Y145), V137 (≠ F146), D157 (= D169), L158 (≠ H170), R162 (≠ I174), T201 (= T203), P202 (= P204), M205 (≠ T207), V227 (≠ M235), A254 (≠ L262)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S16 (= S18), N66 (= N64), T68 (= T66), N93 (= N91), D109 (= D106), Q257 (= Q265)

3jypA Quinate dehydrogenase from corynebacterium glutamicum in complex with quinate and nadh (see paper)
31% identity, 91% coverage: 7:275/295 of query aligns to 5:267/282 of 3jypA

query
sites
3jypA

I

L

L

L

G

G

L

L

I

I

G

G

R

Q

N

G

V

L

G

D

Y

L

S
|
S

W

R

S
x
T

P

P

L

A

I

M

H

H

N

E

T

A

A

E

C

G

E

L

L

A

L

Q

G

G

L

R

P

A

F

T

I

V

Y

Y

-

R

-

I

-

D

T

T

I

L

F

G

N

S

I

R

A

A

E

S

P

G

Q

Q

R

D

L

L

D

K

D

T

A

L

L

L

R

D

G

A

A

A

R

L

A

Y

L

L

G

G

I

F

A

N

G

G

F

L

N
|
N

V

I

T
|
T

I

H

P

P

Y

Y

K
|
K

Q

Q

D

A

V

V

V

L

P

P

L

L

D

D

H

E

L

V

A

S

E

E

E

Q

A

A

A

T

S

Q

I

L

R

G

A

A

V

V

N
|
N

T

T

I

V

V

V

-

I

N

D

I

A

D

T

G

G

K

H

L

T

T

T

G

G

Y

H

N

N

T

T

D
|
D

I

V

E

S

G

G

F

F

A

G

A

-

P

-

L

-

S

-

C

-

R

R

D

G

S

M

I

E

A

E

G

G

M

L

P

P

V

N

S

A

V

K

F

L

G

D

S

S

G

-

A

-

S

-

L

-

A

-

A

V

I

V

E

Q

A
x
V

F

G

R

A

R
x
G

Y

G

F
x
V

K

G

P

N

S

A

I

V

I

A

Y

Y

L

A

F

L

V

V

R

T

D

-

L

-

F

-

K

H

A

G

I

V

R

Q

M

K

L

L

E

Q

S

V

Y

A

D
|
D

H
x
L

K

D

E

T

T

S

I
x
R

S

A

I

Q

C

A

L

L

I

A

D

D

D

V

L

I

H

N

-

N

-

A

A

V

G

G

K

R

N

E

S

A

T

V

-

V

-

G

-

V

-

D

-

A

-

R

-

G

-

I

R

E

E

D

H

V

F

I

G

A

S

A

R

D

V

G

I

V

V

V

N

N

A

A

T
|
T

P
|
P

I

M

G

G

T
x
M

R

P

G

A

R

H

T

P

G

G

D

T

-
x
A

-

F

D

D

V

V

S

S

C

C

I

L

V

T

P

K

L

-

E

-

K

-

N

-

L

-

H

-

D

-

S

D

Q

H

I

W

V

V

Y

G

D

D

M
x
V

V

V

Y
|
Y

N

M

P

P

L

I

R

E

T

T

P

E

L

L

R

K

A

A

E

R

L

A

A

L

G

G

A

C

K

E

T

T

I

L

T

D

G

G

I

T

E

R

M

M

L
x
A

I

I

G

H

Q
|
Q

A

A

A

V

R

D

S

A

F

F

T

R

L

L

W

F

T

T

G

G

binding nicotinamide-adenine-dinucleotide: V132 (≠ A141), G135 (≠ R144), V137 (≠ F146), D157 (= D169), L158 (≠ H170), R162 (≠ I174), T201 (= T203), P202 (= P204), M205 (≠ T207), A212 (vs. gap), V227 (≠ M235), Y229 (= Y237), A254 (≠ L262)
binding (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid: S16 (= S18), T18 (≠ S20), N66 (= N64), T68 (= T66), K72 (= K70), N93 (= N91), D109 (= D106), Q257 (= Q265)

3jyoA Quinate dehydrogenase from corynebacterium glutamicum in complex with NAD (see paper)
31% identity, 91% coverage: 7:275/295 of query aligns to 5:267/282 of 3jyoA

query
sites
3jyoA

I

L

L

L

G

G

L

L

I

I

G

G

R

Q

N

G

V

L

G

D

Y

L

S

S

W

R

S

T

P

P

L

A

I

M

H

H

N

E

T

A

A

E

C

G

E

L

L

A

L

Q

G

G

L

R

P

A

F

T

I

V

Y

Y

-

R

-

I

-

D

T

T

I

L

F

G

N

S

I

R

A

A

E

S

P

G

Q

Q

R

D

L

L

D

K

D

T

A

L

L

L

R

D

G

A

A

A

R

L

A

Y

L

L

G

G

I

F

A

N

G

G

F

L

N

N

V

I

T

T

I

H

P

P

Y

Y

K

K

Q

Q

D

A

V

V

V

L

P

P

L

L

D

D

H

E

L

V

A

S

E

E

E

Q

A

A

A

T

S

Q

I

L

R

G

A

A

V

V

N

N

T

T

I

V

V

V

-

I

N

D

I

A

D

T

G

G

K

H

L

T

T

T

G

G

Y

H

N

N

T

T

D

D

I

V

E

S

G

G

F

F

A

G

A

-

P

-

L

-

S

-

C

-

R

R

D

G

S

M

I

E

A

E

G

G

M

L

P

P

V

N

S

A

V

K

F

L

G

D

S

S

G

-

A

-

S

-

L

-

A

-

A

V

I

V

E

Q

A
x
V

F

G

R

A

R
x
G

Y

G

F
x
V

K

G

P

N

S

A

I

V

I

A

Y

Y

L

A

F

L

V

V

R

T

D

-

L

-

F

-

K

H

A

G

I

V

R

Q

M

K

L

L

E

Q

S

V

Y

A

D
|
D

H
x
L

K

D

E

T

T

S

I
x
R

S

A

I

Q

C

A

L

L

I

A

D

D

D

V

L

I

H

N

-

N

-

A

A

V

G

G

K

R

N

E

S

A

T

V

-

V

-

G

-

V

-

D

-

A

-

R

-

G

-

I

R

E

E

D

H

V

F

I

G

A

S

A

R

D

V

G

I

V

V

V

N

N

A

A

T
|
T

P
|
P

I

M

G

G

T
x
M

R

P

G

A

R

H

T

P

G

G

D

T

-

A

-

F

D

D

V

V

S

S

C

C

I

L

V

T

P

K

L

-

E

-

K

-

N

-

L

-

H

-

D

-

S

D

Q

H

I

W

V

V

Y

G

D

D

M
x
V

V

V

Y
|
Y

N

M

P

P

L

I

R

E

T

T

P

E

L

L

R

K

A

A

E

R

L

A

A

L

G

G

A

C

K

E

T

T

I

L

T

D

G

G

I

T

E

R

M

M

L
x
A

I

I

G

H

Q

Q

A

A

A

V

R

D

S

A

F

F

T

R

L

L

W

F

T

T

G

G

binding nicotinamide-adenine-dinucleotide: V132 (≠ A141), G135 (≠ R144), V137 (≠ F146), D157 (= D169), L158 (≠ H170), R162 (≠ I174), T201 (= T203), P202 (= P204), M205 (≠ T207), V227 (≠ M235), Y229 (= Y237), A254 (≠ L262)

Query Sequence

>WP_012466709.1 NCBI__GCF_000020465.1:WP_012466709.1
MKPSKQILGLIGRNVGYSWSPLIHNTACELLGLPFIYTIFNIAEPQRLDDALRGARALGI
AGFNVTIPYKQDVVPLLDHLAEEAASIRAVNTIVNIDGKLTGYNTDIEGFAAPLLSCRDS
IAGMPVSVFGSGGASLAAIEAFRRYFKPSIIYLFVRDLFKAIRMLESYDHKETISICLID
DLHAGKNSTREHFGSSRVIVNATPIGTRGRTGDDVSCIVPLEKNLLHDSQIVYDMVYNPL
RTPLLRAAELAGAKTITGIEMLIGQAARSFTLWTGEIMPVEEVRTQLIRHIETGT

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