SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_005347030.1 NCBI__GCF_000173975.1:WP_005347030.1 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.
37% identity, 96% coverage: 7:280/286 of query aligns to 9:288/288 of 3tnlA

query
sites
3tnlA

N

H

T

T

K

E

M

L

I

I

T

G

L

L

L

I

G

A

D

T

P

P

L

I

K

R

Q

H

S
|
S

F

L

A
x
S

A

P

Q

T

M

M

Q

H

N

N

C

E

G

A

Y

F

E

A

A

K

A

L

G

G

L

L

N

D

M

Y

I

V

Y

Y

F

L

Y

A

T

F

E

E

V

V

N

G

N

D

E

K

H

E

L

L

A

K

D

D

V

V

N

Q

G

G

I

F

R

R

Y

A

M

M

N

N

F

L

A

R

G

G

F

W

A
x
N

V

V

T
x
S

K
x
M

P

P

N

N

K
|
K

V

T

K

N

V

I

L

H

E

K

Y

Y

L

L

D

D

E

K

L

L

D

S

P

P

L

A

C

A

E

E

K

L

M

V

G

G

A

A

S

V

N
|
N

T

T

V

V

K

-

T

N

P

D

E

D

G

G

K

V

L

L

V

T

G

G

Y

H

N

I

T

T

D
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D

G

G

I

T

G

G

F

Y

I

M

R

R

S

A

M

L

E

K

R

E

D

A

G

G

N

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V

D

K

I

I

I

D

G

E

K

N

K

I

M

Y

T

F

I

C

C

I

-

G
|
G

S
x
A

G
|
G

A
|
A

G

A

R

T

A

A

M

I

C

C

S

I

A

Q

L

A

A

A

Y

L

Y

D

G

G

A

V

K

K

K

E

I

I

Y

S

I

I

-

F

-
x
N

-
x
R

T

K

D
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D

V

D

F
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F

E

Y

E

A

S

N

S

A

K

E

S

K

L

T

V

V

E

E

D

K

I

I

N

N

K

S

N

K

F

T

A

D

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C

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K

A

A

E

Q

F

L

C

F

P

D

A

I

G

E

D

D

F

H

S

E

K

Q

V

L

K

R

-

K

-

E

-

I

-

A

E

E

A

S

T

V

V

I

V

F

L

T

N

N

A

A

S
x
T

G

G

I
x
V

G

G

M
|
M

G

K

S

P

H
x
F

I

E

G

G

E

E

N

T

P

L

L

L

P

P

K

S

-

A

E

D

F

M

I

L

S

R

K

P

D

E

Q

L

F

I

Y

V

F

S

D

D

A
x
V

C

V

Y
|
Y

N

K

P

P

A

T

K

K

T

T

Q

R

F

L

L

L

L

E

D

I

A

A

E

E

A

Q

G

G

A

C

T

Q

I

T

L

L

N

N

G

G

L

L

G

G

M
|
M

S
x
M

L

L

Y

W

Q
|
Q

G

G

A

A

A

K

Q

A

I

F

E

E

Y

I

W

W

T

T

G

H

Q

K

E

E

P

M

P

P

I

V

E

D

A

Y

M

I

R

K

Q

E

K

I

L

L

L

F

binding nicotinamide-adenine-dinucleotide: M71 (≠ K69), G134 (= G134), A135 (≠ S135), G136 (= G136), G137 (= G137), A138 (= A138), N158 (vs. gap), R159 (vs. gap), D161 (= D158), F163 (= F160), T207 (≠ S200), V209 (≠ I202), M211 (= M204), F214 (≠ H207), V235 (≠ A227), Y237 (= Y229), M261 (= M253), M262 (≠ S254)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S23 (= S21), S25 (≠ A23), N68 (≠ A66), S70 (≠ T68), K74 (= K72), N95 (= N93), D110 (= D109), Q265 (= Q257)

3tozA 2.2 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with NAD.
37% identity, 96% coverage: 7:280/286 of query aligns to 12:291/291 of 3tozA

query
sites
3tozA

N

H

T

T

K

E

M

L

I

I

T

G

L

L

L

I

G

A

D

T

P

P

L

I

K

R

Q

H

S

S

F

L

A

S

A

P

Q

T

M

M

Q

H

N

N

C

E

G

A

Y

F

E

A

A

K

A

L

G

G

L

L

N

D

M

Y

I

V

Y

Y

F

L

Y

A

T

F

E

E

V

V

N

G

N

D

E

K

H

E

L

L

A

K

D

D

V

V

N

Q

G

G

I

F

R

R

Y

A

M

M

N

N

F

L

A

R

G

G

F

W

A

N

V

V

T

S

K

M

P

P

N

N

K

K

V

T

K

N

V

I

L

H

E

K

Y

Y

L

L

D

D

E

K

L

L

D

S

P

P

L

A

C

A

E

E

K

L

M

V

G

G

A

A

S

V

N

N

T

T

V

V

K

-

T

N

P

D

E

D

G

G

K

V

L

L

V

T

G

G

Y

H

N

I

T

T

D

D

G

G

I

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G

G

F

Y

I

M

R

R

S

A

M

L

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K

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E

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A

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G

N

H

V

D

K

I

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I

D

G

E

K

N

K

I

M

Y

T

F

I

C

C

I

-

G
|
G

S
x
A

G
|
G

A
|
A

G

A

R

T

A

A

M

I

C

C

S

I

A

Q

L

A

A

A

Y

L

Y

D

G

G

A

V

K

K

K

E

I

I

Y

S

I

I

-

F

-
x
N

-
x
R

T

K

D
|
D

V

D

F
|
F

E

Y

E

A

S

N

S

A

K

E

S

K

L

T

V

V

E

E

D

K

I

I

N

N

K

S

N

K

F

T

A

D

P

C

V

K

A

A

E

Q

F

L

C

F

P

D

A

I

G

E

D

D

F

H

S

E

K

Q

V

L

K

R

-

K

-

E

-

I

-

A

E

E

A

S

T

V

V

I

V

F

L

T

N

N

A

A

S
x
T

G
|
G

I
x
V

G

G

M
|
M

G

K

S

P

H
x
F

I

E

G

G

E

E

N

T

P

L

L

L

P

P

K

S

-

A

E

D

F

M

I

L

S

R

K

P

D

E

Q

L

F

I

Y

V

F

S

D

D

A
x
V

C

V

Y
|
Y

N

K

P

P

A

T

K

K

T

T

Q

R

F

L

L

L

L

E

D

I

A

A

E

E

A

Q

G

G

A

C

T

Q

I

T

L

L

N

N

G
|
G

L

L

G

G

M
|
M

S
x
M

L

L

Y

W

Q

Q

G

G

A

A

A

K

Q

A

I

F

E

E

Y

I

W

W

T

T

G

H

Q

K

E

E

P

M

P

P

I

V

E

D

A

Y

M

I

R

K

Q

E

K

I

L

L

L

F

binding nicotinamide-adenine-dinucleotide: G137 (= G134), A138 (≠ S135), G139 (= G136), G140 (= G137), A141 (= A138), N161 (vs. gap), R162 (vs. gap), D164 (= D158), F166 (= F160), T210 (≠ S200), G211 (= G201), V212 (≠ I202), M214 (= M204), F217 (≠ H207), V238 (≠ A227), Y240 (= Y229), G261 (= G250), M264 (= M253), M265 (≠ S254)

Q8Y9N5 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)
37% identity, 96% coverage: 7:280/286 of query aligns to 12:291/291 of Q8Y9N5

query
sites
Q8Y9N5

N

H

T

T

K

E

M

L

I

I

T

G

L

L

L

I

G

A

D

T

P

P

L

I

K

R

Q

H

S
|
S

F
x
L

A
x
S

A

P

Q

T

M

M

Q

H

N

N

C

E

G

A

Y

F

E

A

A

K

A

L

G

G

L

L

N

D

M

Y

I

V

Y

Y

F

L

Y

A

T

F

E

E

V

V

N

G

N

D

E

K

H

E

L

L

A

K

D

D

V

V

N

Q

G

G

I

F

R

R

Y

A

M

M

N

N

F

L

A

R

G

G

F

W

A

N

V

V

T

S

K

M

P

P

N

N

K

K

V

T

K

N

V

I

L

H

E

K

Y

Y

L

L

D

D

E

K

L

L

D

S

P

P

L

A

C

A

E

E

K

L

M

V

G

G

A

A

S

V

N

N

T

T

V

V

K

-

T

N

P

D

E

D

G

G

K

V

L

L

V

T

G

G

Y

H

N

I

T

T

D

D

G

G

I

T

G

G

F

Y

I

M

R

R

S

A

M

L

E

K

R

E

D

A

G

G

N

H

V

D

K

I

I

I

D

G

E

K

N

K

I

M

Y

T

F

I

C

C

I

-

G

G

S

A

G

G

A

A

G

A

R

T

A

A

M

I

C

C

S

I

A

Q

L

A

A

A

Y

L

Y

D

G

G

A

V

K

K

K

E

I

I

Y

S

I

I

-

F

-
x
N

-
x
R

T
x
K

D
|
D

V

D

F

F

E

Y

E

A

S

N

S

A

K

E

S

K

L

T

V

V

E

E

D

K

I

I

N

N

K

S

N

K

F

T

A

D

P

C

V

K

A

A

E

Q

F

L

C

F

P

D

A

I

G

E

D

D

F

H

S

E

K

Q

V

L

K

R

-

K

-

E

-

I

-

A

E

E

A

S

T

V

V

I

V

F

L

T

N

N

A

A

S

T

G

G

I

V

G

G

M
|
M

G

K

S

P

H

F

I

E

G

G

E

E

N

T

P

L

L

L

P

P

K

S

-

A

E

D

F

M

I

L

S

R

K

P

D

E

Q

L

F

I

Y

V

F

S

D

D

A

V

C

V

Y

Y

N

K

P

P

A

T

K

K

T

T

Q

R

F

L

L

L

L

E

D

I

A

A

E

E

A

Q

G

G

A

C

T

Q

I

T

L

L

N

N

G

G

L

L

G

G

M

M

S

M

L

L

Y

W

Q

Q

G

G

A

A

A

K

Q

A

I

F

E

E

Y

I

W

W

T

T

G

H

Q

K

E

E

P

M

P

P

I

V

E

D

A

Y

M

I

R

K

Q

E

K

I

L

L

L

F

SLS 26:28 (≠ SFA 21:23) binding shikimate
NRKD 161:164 (≠ --TD 157:158) binding NAD(+)
M214 (= M204) binding NADP(+)

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)
36% identity, 99% coverage: 4:285/286 of query aligns to 2:282/282 of Q58484

query
sites
Q58484

V

I

D

N

I

A

N

K

T

T

K

K

M

V

I

I

T

G

L

L

L

I

G

G

D

H

P

P

L

V

K

E

Q

H

S

S

F

F

A

S

A

P

Q

I

M

M

Q

H

N

N

C

A

G

A

Y

F

E

K

A

D

A

K

G

G

L

L

N

N

M

Y

I

V

Y

Y

F

V

Y

A

T

F

E

D

V

V

N

L

N

P

E

E

H

N

L

L

A

K

D

Y

V

V

V

I

N

D

G

G

I

A

R

K

Y

A

M

L

N

G

F

I

A

V

G

G

F

F

A

N

V

V

T

T

K

I

P

P

N

H

K

K

V

I

K

E

V

I

L

M

E

K

Y

Y

L

L

D

D

E

E

L

I

D

D

P

K

L

D

C

A

E

Q

K

L

M

I

G

G

A

A

S

V

N

N

T

T

V

-

V

I

K

K

T

I

P

E

E

D

G

G

K

K

L

A

V

I

G

G

Y

Y

N

N

T

T

D

D

G

G

I

I

G

G

F

A

I

R

R

M

S

A

M

L

E

E

R

E

D

E

-

I

G

G

N

R

V

V

K

K

I

-

D

D

E

K

N

N

I

I

Y

V

F

I

C

Y

I

-

G

-

S

-

G

-

A
x
G

G
x
A

R
x
G

A
x
G

M
x
A

C

A

S

R

A

A

L

V

A

A

Y

F

Y

E

G

L

A

A

K

K

-

D

-

N

K

N

I

I

Y

I

I

I

T

A

D
x
N

V
x
R

F
x
T

E
x
V

E
|
E

S
x
K

S

A

K

E

S

A

L

L

V

A

E

K

D

E

I

I

-

A

-

E

-

K

-

L

N

N

K

K

N

K

F

F

A

G

P

E

V

E

A

V

E

K

F

F

C

-

P

-

A

S

G

G

D

L

F

D

S

V

K

D

V

L

K

D

E

G

A

V

T

D

V

I

L

I

N

N

A

A

S
x
T

G

P

I

I

G

G

M
|
M

G

Y

S

P

H

N

I

I

G

D

E

V

N

E

P

P

L

I

P

V

K

K

-

A

E

E

F

K

I

L

S

R

K

E

D

D

Q

M

F

V

Y

V

F

M

D

D

A
x
L

C

I

Y

Y

N

N

P

P

A

L

K

E

T

T

Q

V

F

L

L

L

L

K

D

E

A

A

E

K

A

V

G

N

A

A

T

K

I

T

L

I

N

N

G

G

L

L

G

G

M

M

S

L

L

I

Y

Y

Q

Q

G

G

A

A

A

V

Q

A

I

F

E

K

Y

I

W

W

T

T

G

G

Q

V

E

E

P

P

P

N

I

I

E

E

A

V

M

M

R

K

Q

N

K

A

L

I

D

D

I

K

I

I

S

T

E

K

GAGGA 130:134 (≠ AGRAM 138:142) binding NADP(+)
NRTVEK 152:157 (≠ DVFEES 158:163) binding NADP(+)
T196 (≠ S200) binding NADP(+)
M200 (= M204) binding NADP(+)
L224 (≠ A227) binding NADP(+)

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
36% identity, 99% coverage: 4:285/286 of query aligns to 7:287/287 of 1nvtB

query
sites
1nvtB

V

I

D

N

I

A

N

K

T

T

K

K

M

V

I

I

T

G

L

L

L

I

G

G

D

H

P

P

L

V

K
x
E

Q
x
H

S

S

F

F

A

S

A

P

Q

I

M

M

Q

H

N

N

C

A

G

A

Y

F

E

K

A

D

A

K

G

G

L

L

N

N

M

Y

I

V

Y

Y

F

V

Y

A

T

F

E

D

V

V

N

L

N

P

E

E

H

N

L

L

A

K

D

Y

V

V

V

I

N

D

G

G

I

A

R

K

Y

A

M

L

N

G

F

I

A

V

G

G

F

F

A

N

V

V

T

T

K
x
I

P

P

N

H

K
|
K

V

I

K

E

V

I

L

M

E

K

Y

Y

L

L

D

D

E

E

L

I

D

D

P

K

L

D

C

A

E

Q

K

L

M

I

G

G

A

A

S

V

N

N

T

T

V

-

V

I

K

K

T

I

P

E

E

D

G

G

K

K

L

A

V

I

G

G

Y

Y

N

N

T

T

D
|
D

G

G

I

I

G

G

F

A

I

R

R

M

S

A

M

L

E

E

R

E

D

E

-

I

G

G

N

R

V

V

K

K

I

-

D

D

E

K

N

N

I

I

Y

V

F

I

C

Y

I

-

G

-

S

-

G

-

A
x
G

G

A

R
x
G

A
x
G

M
x
A

C

A

S

R

A

A

L

V

A

A

Y

F

Y

E

G

L

A

A

K

K

-

D

-

N

K

N

I

I

Y

I

I

I

T

A

D
x
N

V
x
R

F
x
T

E

V

E

E

S
x
K

S

A

K

E

S

A

L

L

V

A

E

K

D

E

I

I

-

A

-

E

-

K

-

L

N

N

K

K

N

K

F

F

A

G

P

E

V

E

A

V

E

K

F

F

C

-

P

-

A

S

G

G

D

L

F

D

S

V

K

D

V

L

K

D

E

G

A

V

T

D

V

I

L

I

N

N

A
|
A

S
x
T

G
x
P

I
|
I

G

G

M
|
M

G

Y

S

P

H

N

I

I

G

D

E

V

N

E

P

P

L

I

P

V

K

K

-

A

E

E

F

K

I

L

S

R

K

E

D

D

Q

M

F

V

Y

V

F

M

D

D

A
x
L

C

I

Y
|
Y

N

N

P

P

A

L

K

E

T

T

Q

V

F

L

L

L

L

K

D

E

A

A

E

K

A

V

G

N

A

A

T

K

I

T

L

I

N

N

G

G

L

L

G

G

M
|
M

S
x
L

L

I

Y

Y

Q

Q

G

G

A

A

A

V

Q

A

I

F

E

K

Y

I

W

W

T

T

G

G

Q

V

E

E

P

P

P

N

I

I

E

E

A

V

M

M

R

K

Q

N

K

A

L

I

D

D

I

K

I

I

S

T

E

K

active site: K75 (= K72), D111 (= D109)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I72 (≠ K69), G135 (≠ A138), G137 (≠ R140), G138 (≠ A141), A139 (≠ M142), N157 (≠ D158), R158 (≠ V159), T159 (≠ F160), K162 (≠ S163), A200 (= A199), T201 (≠ S200), P202 (≠ G201), I203 (= I202), M205 (= M204), L229 (≠ A227), Y231 (= Y229), M255 (= M253), L256 (≠ S254)
binding zinc ion: E22 (≠ K19), H23 (≠ Q20)

1nvtA Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
36% identity, 99% coverage: 4:285/286 of query aligns to 7:287/287 of 1nvtA

query
sites
1nvtA

V

I

D

N

I

A

N

K

T

T

K

K

M

V

I

I

T

G

L

L

L

I

G

G

D

H

P

P

L

V

K

E

Q

H

S

S

F

F

A

S

A

P

Q

I

M

M

Q

H

N

N

C

A

G

A

Y

F

E

K

A

D

A

K

G

G

L

L

N

N

M

Y

I

V

Y

Y

F

V

Y

A

T

F

E

D

V

V

N

L

N

P

E

E

H

N

L

L

A

K

D

Y

V

V

V

I

N

D

G

G

I

A

R

K

Y

A

M

L

N

G

F

I

A

V

G

G

F

F

A

N

V

V

T

T

K

I

P

P

N

H

K
|
K

V

I

K

E

V

I

L

M

E

K

Y

Y

L

L

D

D

E

E

L

I

D

D

P

K

L

D

C

A

E

Q

K

L

M

I

G

G

A

A

S

V

N

N

T

T

V

-

V

I

K

K

T

I

P

E

E

D

G

G

K

K

L

A

V

I

G

G

Y

Y

N

N

T

T

D
|
D

G

G

I

I

G

G

F

A

I

R

R

M

S

A

M

L

E

E

R

E

D

E

-

I

G

G

N

R

V

V

K

K

I

-

D

D

E

K

N

N

I

I

Y

V

F

I

C

Y

I

-

G

-

S

-

G

-

A
x
G

G

A

R

G

A

G

M
x
A

C

A

S

R

A

A

L

V

A

A

Y

F

Y

E

G

L

A

A

K

K

-

D

-

N

K

N

I

I

Y

I

I

I

T

A

D
x
N

V
x
R

F
x
T

E

V

E

E

S
x
K

S

A

K

E

S

A

L

L

V

A

E

K

D

E

I

I

-

A

-

E

-

K

-

L

N

N

K

K

N

K

F

F

A

G

P

E

V

E

A

V

E

K

F

F

C

-

P

-

A

S

G

G

D

L

F

D

S

V

K

D

V

L

K

D

E

G

A

V

T

D

V

I

L

I

N

N

A
|
A

S
x
T

G
x
P

I
|
I

G

G

M
|
M

G

Y

S

P

H

N

I

I

G

D

E

V

N

E

P

P

L

I

P

V

K

K

-

A

E

E

F

K

I

L

S

R

K

E

D

D

Q

M

F

V

Y

V

F

M

D

D

A
x
L

C

I

Y
|
Y

N

N

P

P

A

L

K

E

T

T

Q

V

F

L

L

L

L

K

D

E

A

A

E

K

A

V

G

N

A

A

T

K

I

T

L

I

N

N

G
|
G

L

L

G

G

M
|
M

S
x
L

L

I

Y

Y

Q

Q

G

G

A

A

A

V

Q

A

I

F

E

K

Y

I

W

W

T

T

G

G

Q

V

E

E

P

P

P

N

I

I

E

E

A

V

M

M

R

K

Q

N

K

A

L

I

D

D

I

K

I

I

S

T

E

K

active site: K75 (= K72), D111 (= D109)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G135 (≠ A138), A139 (≠ M142), N157 (≠ D158), R158 (≠ V159), T159 (≠ F160), K162 (≠ S163), A200 (= A199), T201 (≠ S200), P202 (≠ G201), I203 (= I202), M205 (= M204), L229 (≠ A227), Y231 (= Y229), G252 (= G250), M255 (= M253), L256 (≠ S254)

1npdB X-ray structure of shikimate dehydrogenase complexed with NAD+ from e.Coli (ydib) northeast structural genomics research consortium (nesg) target er24 (see paper)
33% identity, 96% coverage: 4:277/286 of query aligns to 1:282/288 of 1npdB

query
sites
1npdB

V

M

D

D

I

V

N

T

T

A

K

K

-

Y

-

E

M

L

I

I

T

G

L

L

L

M

G

A

D

Y

P

P

L

I

K

R

Q

H

S

S

F

L

A

S

A

P

Q

E

M

M

Q

Q

N

N

C

K

G

A

Y

L

E

E

A

K

A

A

G

G

L

L

N

P

M

F

I

T

Y

Y

F

M

Y

A

T

F

E

E

V

V

N

D

N

N

E

D

H

S

L

F

A

P

D

G

V

A

V

I

N

E

G

G

I

L

R

K

Y

A

M

L

N

K

F

M

A

R

G

G

F

T

A

G

V

V

T

S

K

M

P

P

N

N

K

K

V

Q

K

L

V

A

L

C

E

E

Y

Y

L

V

D

D

E

E

L

L

D

T

P

P

L

A

C

A

E

K

K

L

M

V

G

G

A

A

S

I

N

N

T

T

V

I

V

V

K

N

T

D

P

-

E

D

G

G

K

Y

L

L

V

R

G

G

Y

Y

N

N

T

T

D

D

G

G

I

T

G

G

F

H

I

I

R

R

S

A

M

I

E

K

R

E

D

S

G

G

N

-

V

F

K

D

I

I

D

K

E

G

N

K

I

T

Y

M

F

V

C

L

I

L

G

G

S
x
A

G
|
G

A
|
A

G

S

R

T

A

A

M

I

C

G

S

A

A

Q

L

G

A

A

Y

I

Y

E

G

G

A

L

K

K

K

E

I

I

Y

K

I

L

-

F

-
x
N

-
x
R

T

R

D
|
D

V

E

F
|
F

E

F

E

D

S

K

S

A

K

L

S

A

L

F

V

A

E

Q

D

R

I

V

N

N

K

E

N

N

F

T

A

D

P

C

V

V

A

V

E

T

F

V

C

T

P

D

A

L

G

A

D

D

F

Q

S

Q

K

A

V

F

K

A

E

E

A

A

T

-

V

-

V

L

L

A

N

S

A

A

S

D

G

I

I

L

G

T

M

N

G

G

S
x
T

H
x
K

I
x
V

G

G

E
x
M

N

K

P

P

L

L

P

E

K

N

E

E

F

S

I

L

S

V

K

N

D

D

-

I

-

S

-

L

-

H

-

P

-

G

Q

L

F

L

Y

V

F

T

D

E

A
x
C

C

V

Y

Y

N

N

P

P

A

H

K

M

T

T

Q

K

F

L

L

L

L

Q

D

Q

A

A

E

Q

A

A

G

G

A

C

T

K

I

T

L

I

N

D

G

G

L

Y

G

G

M
|
M

S
x
L

L

L

Y

W

Q

Q

G

G

A

A

A

E

Q

Q

I

F

E

T

Y

L

W

W

T

T

G

G

Q

K

E

D

P

F

P

P

I

L

E

E

A

Y

M

V

R

K

Q

Q

binding nicotinamide-adenine-dinucleotide: A132 (≠ S135), G133 (= G136), G134 (= G137), A135 (= A138), N155 (vs. gap), R156 (vs. gap), D158 (= D158), F160 (= F160), T204 (≠ S206), K205 (≠ H207), V206 (≠ I208), M208 (≠ E210), C232 (≠ A227), M258 (= M253), L259 (≠ S254)

P0A6D5 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Escherichia coli (strain K12) (see 4 papers)
33% identity, 96% coverage: 4:277/286 of query aligns to 1:282/288 of P0A6D5

query
sites
P0A6D5

V
x
M

D

D

I

V

N

T

T

A

K

K

-

Y

-

E

M

L

I

I

T

G

L

L

L

M

G

A

D

Y

P

P

L

I

K

R

Q

H

S

S

F

L

A
x
S

A

P

Q

E

M

M

Q

Q

N

N

C

K

G

A

Y

L

E

E

A

K

A

A

G

G

L

L

N

P

M

F

I

T

Y
|
Y

F

M

Y

A

T

F

E

E

V

V

N

D

N

N

E

D

H

S

L

F

A

P

D

G

V

A

V

I

N

E

G

G

I

L

R

K

Y

A

M

L

N

K

F

M

A

R

G

G

F

T

A

G

V

V

T
x
S

K

M

P

P

N

N

K
|
K

V

Q

K

L

V

A

L

C

E

E

Y

Y

L

V

D

D

E

E

L

L

D

T

P

P

L

A

C

A

E

K

K

L

M

V

G

G

A

A

S

I

N
|
N

T

T

V

I

V

V

K

N

T

D

P

-

E

D

G

G

K

Y

L

L

V

R

G

G

Y

Y

N

N

T
|
T

D
|
D

G

G

I

T

G

G

F

H

I

I

R

R

S

A

M

I

E

K

R

E

D

S

G

G

N

-

V

F

K

D

I

I

D

K

E

G

N

K

I

T

Y

M

F

V

C

L

I

L

G

G

S
x
A

G
|
G

A
|
A

G

S

R

T

A

A

M

I

C

G

S

A

A

Q

L

G

A

A

Y

I

Y

E

G

G

A

L

K

K

K

E

I

I

Y

K

I

L

-

F

-
x
N

-
x
R

T
x
R

D
|
D

V

E

F

F

E

F

E

D

S

K

S

A

K

L

S

A

L

F

V

A

E

Q

D

R

I

V

N

N

K

E

N

N

F

T

A

D

P

C

V

V

A

V

E

T

F

V

C

T

P

D

A

L

G

A

D

D

F

Q

S

Q

K

A

V

F

K

A

E

E

A

A

T

-

V

-

V

L

L

A

N

S

A

A

S

D

G

I

I

L

G

T

M

N

G

G

S

T

H
x
K

I

V

G

G

E

M

N

K

P

P

L

L

P

E

K

N

E

E

F

S

I

L

S

V

K

N

D

D

-

I

-

S

-

L

-

H

-

P

-

G

Q

L

F

L

Y

V

F

T

D

E

A
x
C

C
x
V

Y
|
Y

N
|
N

P

P

A

H

K

M

T

T

Q

K

F

L

L

L

L

Q

D

Q

A

A

E

Q

A

A

G

G

A

C

T

K

I

T

L

I

N

D

G
|
G

L

Y

G

G

M

M

S

L

L

L

Y

W

Q
|
Q

G

G

A

A

A

E

Q

Q

I

F

E

T

Y

L

W

W

T

T

G

G

Q

K

E

D

P

F

P

P

I

L

E

E

A

Y

M

V

R

K

Q

Q

M1 (≠ V4) modified: Initiator methionine, Removed
S22 (≠ A23) mutation to A: Kinetically unchanged as compared with the wild-type.
Y39 (= Y40) mutation to F: Kinetically unchanged as compared with the wild-type.
S67 (≠ T68) mutation to A: Reduces activity towards quinate about 6-fold, but has a little effect on shikimate conversion.
K71 (= K72) 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 (= N93) mutation to A: Alters protein structure. Loss of activity for both substrates.
T106 (= T108) 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 (= D109) mutation to A: Loss of activity towards quinate. 20000-fold decrease in the affinity for shikimate.
AGGA 132:135 (≠ SGGA 135:138) binding NAD(+)
NRRD 155:158 (≠ --TD 157:158) binding NAD(+)
K205 (≠ H207) binding NAD(+)
CVYN 232:235 (≠ ACYN 227:230) binding NAD(+)
G255 (= G250) binding NAD(+)
Q262 (= Q257) mutation to A: 3-fold reduction in catalytic efficiency for both substrates.

1o9bA Quinate/shikimate dehydrogenase ydib complexed with nadh (see paper)
33% identity, 94% coverage: 9:277/286 of query aligns to 2:276/280 of 1o9bA

query
sites
1o9bA

K

E

M

L

I

I

T

G

L

L

L

M

G

A

D

Y

P

P

L

I

K

R

Q

H

S

S

F

L

A

S

A

P

Q

E

M

M

Q

Q

N

N

C

K

G

A

Y

L

E

E

A

K

A

A

G

G

L

L

N

P

M

F

I

T

Y

Y

F

M

Y

A

T

F

E

E

V

V

N

D

N

N

E

D

H

S

L

F

A

P

D

G

V

A

V

I

N

E

G

G

I

L

R

K

Y

A

M

L

N

K

F

M

A

R

G

G

F

T

A

G

V

V

T

S

K

M

P

P

N

N

K

K

V

Q

K

L

V

A

L

C

E

E

Y

Y

L

V

D

D

E

E

L

L

D

T

P

P

L

A

C

A

E

K

K

L

M

V

G

G

A

A

S

I

N

N

T

T

V

I

V

V

K

N

T

D

P

-

E

D

G

G

K

Y

L

L

V

R

G

G

Y

Y

N

N

T

T

D

D

G

G

I

T

G

G

F

H

I

I

R

R

S

A

M

I

E

K

R

E

D

S

G

G

N

-

V

F

K

D

I

I

D

K

E

G

N

K

I

T

Y

M

F

V

C

L

I

L

G

G

S
x
A

G
|
G

A
|
A

G

S

R

T

A

A

M

I

C

G

S

A

A

Q

L

G

A

A

Y

I

Y

E

G

G

A

L

K

K

K

E

I

I

Y

K

I

L

-

F

-

N

-
x
R

T

R

D

D

V

E

F
|
F

E

F

E

D

S

K

S

A

K

L

S

A

L

F

V

A

E

Q

D

R

I

V

N

N

K

E

N

N

F

T

A

D

P

C

V

V

A

V

E

T

F

V

C

T

P

D

A

L

G

A

D

D

F

Q

S

Q

K

A

V

F

K

A

E

E

A

A

T

-

V

-

V

L

L

A

N

S

A

A

S

D

G

I

I

L

G

T

M

N

G

G

S

T

H
x
K

I
x
V

G

G

E
x
M

N

K

P

P

L

L

P

E

K

N

E

E

F

S

I

L

S

V

K

N

D

D

-

I

-

S

-

L

-

H

-

P

-

G

Q

L

F

L

Y

V

F

T

D

E

A
x
C

C

V

Y
|
Y

N

N

P

P

A

H

K

M

T

T

Q

K

F

L

L

L

L

Q

D

Q

A

A

E

Q

A

A

G

G

A

C

T

K

I

T

L

I

N

D

G

G

L

Y

G

G

M
|
M

S
x
L

L

L

Y

W

Q

Q

G

G

A

A

A

E

Q

Q

I

F

E

T

Y

L

W

W

T

T

G

G

Q

K

E

D

P

F

P

P

I

L

E

E

A

Y

M

V

R

K

Q

Q

binding 1,4-dihydronicotinamide adenine dinucleotide: A126 (≠ S135), G127 (= G136), G128 (= G137), A129 (= A138), R150 (vs. gap), F154 (= F160), K199 (≠ H207), V200 (≠ I208), M202 (≠ E210), C226 (≠ A227), Y228 (= Y229), M252 (= M253), L253 (≠ S254)

Q8ZPR4 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
33% identity, 96% coverage: 4:277/286 of query aligns to 1:282/288 of Q8ZPR4

query
sites
Q8ZPR4

V

M

D

D

I

V

N

T

T

A

K

K

-

Y

-

E

M

L

I

I

T

G

L

L

L

M

G

A

D

Y

P

P

L

I

K

R

Q

H

S

S

F

L

A

S

A

P

Q

E

M

M

Q

Q

N

N

C

K

G

A

Y

L

E

E

A

K

A

A

G

G

L

L

N

P

M

Y

I

T

Y

Y

F

M

Y

A

T

F

E

E

V

V

N

D

N

N

E

T

H

T

L

F

A

A

D

S

V

A

V

I

N

E

G

G

I

L

R

K

Y

A

M

L

N

K

F

M

A

R

G

G

F

T

A

G

V

V

T

S

K

M

P

P

N

N

K

K

V

Q

K

L

V

A

L

C

E

E

Y

Y

L

V

D

D

E

E

L

L

D

T

P

P

L

A

C

A

E

K

K

L

M

V

G

G

A

A

S

I

N

N

T

T

V

I

V

V

K

N

T

-

P

D

E

D

G

G

K

Y

L

L

V

R

G

G

Y

Y

N

N

T

T

D

D

G

G

I

T

G

G

F

H

I

I

R

R

S

A

M

I

E

K

R

E

D

S

G

G

N

-

V

F

K

D

I

M

D

R

E

G

N

K

I

T

Y

M

F

V

C

L

I

L

G

G

S
x
A

G
|
G

A
|
A

G

A

R

T

A

A

M

I

C

G

S

A

A

Q

L

A

A

A

Y

I

Y

E

G

G

A

I

K

K

K

E

I

I

Y

K

I

L

-

F

-
x
N

-
x
R

T
x
K

D
|
D

V

D

F

F

E

F

E

E

S

K

S

A

K

V

S

A

L

F

V

A

E

K

D

R

I

V

N

N

K

E

N

N

F

T

A

D

P

C

V

V

A

V

E

T

F

V

C

T

P

D

A

L

G

A

D

D

F

Q

S

H

K

A

V

F

K

T

E

E

A

A

T

-

V

-

V

L

L

A

N

S

A

A

S

D

G

I

I

L

G

T

M

N

G

G

S

T

H
x
K

I

V

G

G

E

M

N

K

P

P

L

L

P

E

K

N

E

E

-

S

-

L

-

I

-

G

-

D

-

V

-

S

F

L

I

L

S

R

K

P

D

E

Q

L

F

L

Y

V

F

T

D

E

A
x
C

C
x
V

Y
|
Y

N
|
N

P

P

A

H

K

M

T

T

Q

K

F

L

L

L

L

Q

D

Q

A

A

E

Q

A

A

G

G

A

C

T

K

I

T

L

I

N

D

G
|
G

L

Y

G

G

M

M

S

L

L

L

Y

W

Q

Q

G

G

A

A

A

E

Q

Q

I

F

E

E

Y

L

W

W

T

T

G

G

Q

K

E

A

P

F

P

P

I

L

E

D

A

Y

M

V

R

K

Q

Q

AGGA 132:135 (≠ SGGA 135:138) binding NAD(+)
NRKD 155:158 (≠ --TD 157:158) binding NAD(+)
K205 (≠ H207) binding NAD(+)
CVYN 232:235 (≠ ACYN 227:230) binding NAD(+)
G255 (= G250) binding NAD(+)

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
31% identity, 98% coverage: 4:282/286 of query aligns to 2:267/269 of 2hk9A

query
sites
2hk9A

V

I

D

N

I

A

N

Q

T

T

K

Q

M

L

I

Y

T

G

L

V

L

I

G

G

D

F

P

P

L

V

K

K

Q

H

S
|
S

F

L

A
x
S

A

P

Q

V

M

F

Q

Q

N

N

C

A

G

L

Y

I

E

R

A

Y

A

A

G

G

L

L

N

N

M

A

I

V

Y

Y

F

L

Y

A

T

F

E

E

V

I

N

N

N

P

E

E

H

E

L

L

A

K

D

K

V

A

V

F

N

E

G

G

I

F

R

K

Y

A

M

L

N

K

F

V

A

K

G

G

F

I

A
x
N

V

V

T

T

K
x
V

P

P

N

F

K
|
K

V

E

K

E

V

I

L

I

E

P

Y

L

L

L

D

D

E

Y

L

V

D

E

P

D

L

T

C

A

E

K

K

E

M

I

G

G

A

A

S

V

N
|
N

T

T

V

-

V

V

K

K

T

F

P

E

E

N

G

G

K

K

L

A

V

Y

G

G

Y

Y

N

N

T

T

D
|
D

G

W

I

I

G

G

F

F

I

L

R

K

S

S

M

L

E

-

R

K

D

S

G

L

N

I

V

P

K

E

I

V

D

K

E

E

N

K

I

S

Y

I

F

L

C

V

I

L

G

G

S

A

G
|
G

A
|
A

G

S

R

R

A

A

M

V

C

I

S

Y

A

A

L

L

A

V

Y

K

Y

E

G

G

A

A

K

-

K

K

I

V

Y

F

I

L

T

W

D
x
N

V
x
R

F
x
T

E

K

E

E

S

K

S

A

K

I

S

K

L

L

V

A

E

Q

D

-

I

-

N

-

K

-

N

K

F

F

A

P

P

L

V

E

A

V

E

V

F

N

C

S

P

P

A

E

G

E

D

V

F

I

S

D

K

K

V

V

K

Q

E

-

A

-

T

-

V

V

V

I

L

V

N

N

A

T

S
x
T

G
x
S

I
x
V

G

G

M

L

G

K

S

D

H

-

I

-

G

-

E

E

N

D

P

P

-

E

-

I

L

F

P

N

K

Y

E

D

F

L

I

I

S

K

K

K

D

D

Q

H

F

V

Y

V

F

V

D

D

A

I

C

I

Y
|
Y

N

K

P

-

A

-

K

E

T

T

Q

K

F

L

L

L

L

K

D

K

A

A

E

K

E

E

A

K

G

G

A

A

T

K

I

L

L

L

N

D

G

G

L

L

G

P

M

M

S
x
L

L

L

Y

W

Q
|
Q

G

G

A

I

A

E

Q

A

I

F

E

K

Y

I

W

W

T

N

G

G

Q

C

E

E

P

V

P

P

I

Y

E

S

A

V

M

A

R

E

Q

R

K

S

L

V

L

R

D

D

I

L

binding 2'-monophosphoadenosine-5'-diphosphate: V67 (≠ K69), G132 (= G136), G133 (= G137), A134 (= A138), N153 (≠ D158), R154 (≠ V159), T155 (≠ F160), T188 (≠ S200), S189 (≠ G201), V190 (≠ I202)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S21), S21 (≠ A23), N64 (≠ A66), K70 (= K72), N91 (= N93), D106 (= D109), Y216 (= Y229), L239 (≠ S254), Q242 (= Q257)

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
31% identity, 98% coverage: 4:282/286 of query aligns to 2:267/267 of 2hk9B

query
sites
2hk9B

V

I

D

N

I

A

N

Q

T

T

K

Q

M

L

I

Y

T

G

L

V

L

I

G

G

D

F

P

P

L

V

K

K

Q

H

S
|
S

F

L

A
x
S

A

P

Q

V

M

F

Q

Q

N

N

C

A

G

L

Y

I

E

R

A

Y

A

A

G

G

L

L

N

N

M

A

I

V

Y

Y

F

L

Y

A

T

F

E

E

V

I

N

N

N

P

E

E

H

E

L

L

A

K

D

K

V

A

V

F

N

E

G

G

I

F

R

K

Y

A

M

L

N

K

F

V

A

K

G

G

F

I

A
x
N

V

V

T
|
T

K
x
V

P

P

N

F

K
|
K

V

E

K

E

V

I

L

I

E

P

Y

L

L

L

D

D

E

Y

L

V

D

E

P

D

L

T

C

A

E

K

K

E

M

I

G

G

A

A

S

V

N
|
N

T

T

V

-

V

V

K

K

T

F

P

E

E

N

G

G

K

K

L

A

V

Y

G

G

Y

Y

N

N

T

T

D
|
D

G

W

I

I

G

G

F

F

I

L

R

K

S

S

M

L

E

-

R

K

D

S

G

L

N

I

V

P

K

E

I

V

D

K

E

E

N

K

I

S

Y

I

F

L

C

V

I

L

G
|
G

S

A

G

G

G
|
G

A
|
A

G

S

R

R

A

A

M

V

C

I

S

Y

A

A

L

L

A

V

Y

K

Y

E

G

G

A

A

K

-

K

K

I

V

Y

F

I

L

T

W

D
x
N

V
x
R

F
x
T

E

K

E

E

S
x
K

S

A

K

I

S

K

L

L

V

A

E

Q

D

-

I

-

N

-

K

-

N

K

F

F

A

P

P

L

V

E

A

V

E

V

F

N

C

S

P

P

A

E

G

E

D

V

F

I

S

D

K

K

V

V

K

Q

E

-

A

-

T

-

V

V

V

I

L

V

N

N

A

T

S
x
T

G
x
S

I
x
V

G

G

M

L

G

K

S

D

H

-

I

-

G

-

E

E

N

D

P

P

-

E

-

I

L

F

P

N

K

Y

E

D

F

L

I

I

S

K

K

K

D

D

Q

H

F

V

Y

V

F

V

D

D

A
x
I

C

I

Y
|
Y

N

K

P

-

A

-

K

E

T

T

Q

K

F

L

L

L

L

K

D

K

A

A

E

K

E

E

A

K

G

G

A

A

T

K

I

L

L

L

N

D

G

G

L

L

G

P

M
|
M

S
x
L

L

L

Y

W

Q
|
Q

G

G

A

I

A

E

Q

A

I

F

E

K

Y

I

W

W

T

N

G

G

Q

C

E

E

P

V

P

P

I

Y

E

S

A

V

M

A

R

E

Q

R

K

S

L

V

L

R

D

D

I

L

binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (≠ K69), G130 (= G134), G133 (= G137), A134 (= A138), N153 (≠ D158), R154 (≠ V159), T155 (≠ F160), K158 (≠ S163), T188 (≠ S200), S189 (≠ G201), V190 (≠ I202), I214 (≠ A227), M238 (= M253), L239 (≠ S254)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S21), S21 (≠ A23), N64 (≠ A66), T66 (= T68), K70 (= K72), N91 (= N93), D106 (= D109), Y216 (= Y229), L239 (≠ S254), Q242 (= Q257)

7colA Crystal structure of 5-ketofructose reductase complexed with NADPH (see paper)
32% identity, 93% coverage: 17:282/286 of query aligns to 14:277/280 of 7colA

query
sites
7colA

P

P

L

C

K

A

Q

D

S

N

F

P

A

T

A

V

Q

A

M

M

Q

V

N

E

C

A

G

G

Y

Y

E

H

A

H

A

A

G

G

L

L

N

D

M

A

I

R

Y

Y

F

I

Y

N

T

C

E

D

V

V

N

K

N

A

E

S

H

G

L

L

A

A

D

D

V

A

V

V

N

K

G

G

I

A

R

K

Y

A

M

M

N

E

F

W

A

V

G

G

F

F

A

N

V

C

T

S

K

L

P

P

N

H

K

K

V

V

K

A

V

V

L

L

E

D

Y

H

L

L

D

D

E

D

L

I

D

A

P

E

L

S

C

A

E

R

K

L

M

I

G

G

A

A

S

V

N

N

T

-

V

C

V

V

K

A

T

I

P

R

E

E

G

G

K

K

L

L

V

I

G

G

Y

H

N

N

T

T

D

D

G

G

I

K

G

G

F

F

I

L

R

A

S

S

M

L

E

K

R

T

D

V

G

T

N

S

V

P

K

A

I

G

D

K

E

R

N

V

I

V

Y

I

F

L

C
x
G

I

A

G
|
G

S
x
G

G
x
A

G

A

A

R

G

A

R

I

A

A

M

V

C

-

S

-

A

E

L

L

A

A

Y

L

Y

A

G

G

A

A

K

A

K

H

I

I

Y

T

I

I

T

V

D
x
N

V
x
R

F

D

E

A

E

S

S
x
K

S

A

K

E

S

T

L

I

V

A

E

A

D

L

I

I

N

N

K

D

N

K

F

T

A

E

P

A

V

T

A

G

E

E

F

A

-

Q

C

A

P

W

A

S

G

G

D

K

F

F

S

S

K

L

V

P

K

T

E

G

A

T

T

D

V

I

V

L

L

I

N

N

A

A

S
x
T

G
x
S

I
|
I

G

G

M

L

G

G

S

D

H

P

I

N

G

A

E

A

N

P

P

P

L

V

P

E

K

M

E

G

F

S

I

L

S

T

K

K

D

E

Q

T

F

V

Y

V

F

A

D

D

A
x
V

C

I

Y

P

N

N

P

P

A

P

K

Q

T

T

Q

R

F

F

L

L

L

K

D

D

A

A

E

K

E

A

A

L

G

G

A

C

T

T

I

T

L

L

N

D

G

G

L

L

G

G

M

M

S

L

L

V

Y

N

Q
|
Q

G

G

A

V

A

I

Q

G

I

V

E

E

Y

I

W

W

T

L

G

G

Q

R

E

T

P

L

P

D

I

S

E

A

A

V

M

M

R

A

Q

Q

K

T

L

L

L

E

D

N

I

I

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G128 (≠ C132), G130 (= G134), G131 (≠ S135), A132 (≠ G136), N152 (≠ D158), R153 (≠ V159), K157 (≠ S163), T195 (≠ S200), S196 (≠ G201), I197 (= I202), V222 (≠ A227), Q252 (= Q257)

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
30% identity, 98% coverage: 4:282/286 of query aligns to 2:267/269 of O67049

query
sites
O67049

V

I

D

N

I

A

N

Q

T

T

K

Q

M

L

I

Y

T

G

L

V

L

I

G

G

D

F

P

P

L

V

K

K

Q

H

S
|
S

F
x
L

A
x
S

A

P

Q

V

M

F

Q

Q

N

N

C

A

G

L

Y

I

E

R

A

Y

A

A

G

G

L

L

N

N

M

A

I

V

Y

Y

F

L

Y

A

T

F

E

E

V

I

N

N

N

P

E

E

H

E

L

L

A

K

D

K

V

A

V

F

N

E

G

G

I

F

R

K

Y

A

M

L

N

K

F

V

A

K

G

G

F

I

A

N

V

V

T

T

K

V

P

P

N

F

K

K

V

E

K

E

V

I

L

I

E

P

Y

L

L

L

D

D

E

Y

L

V

D

E

P
x
D

L

T

C

A

E

K

K

E

M

I

G

G

A

A

S

V

N
|
N

T

T

V

-

V

V

K

K

T

F

P

E

E

N

G

G

K

K

L

A

V

Y

G

G

Y

Y

N

N

T

T

D
|
D

G

W

I

I

G

G

F

F

I

L

R

K

S

S

M

L

E

-

R

K

D

S

G

L

N

I

V

P

K

E

I

V

D

K

E

E

N

K

I

S

Y

I

F

L

C

V

I

L

G
|
G

S
x
A

G
|
G

A
|
A

G

S

R

R

A

A

M

V

C

I

S

Y

A

A

L

L

A

V

Y

K

Y

E

G

G

A

A

K

-

K

K

I

V

Y

F

I

L

T

W

D

N

V

R

F

T

E

K

E

E

S

K

S

A

K

I

S

K

L

L

V

A

E

Q

D

-

I

-

N

-

K

-

N

K

F

F

A

P

P

L

V

E

A

V

E

V

F

N

C

S

P

P

A

E

G

E

D

V

F

I

S

D

K

K

V

V

K

Q

E

-

A

-

T

-

V

V

V

I

L

V

N

N

A

T

S

T

G

S

I

V

G

G

M

L

G

K

S

D

H

K

I

D

G

P

E

E

N

-

P

I

L

F

P

N

K

Y

E

D

F

L

I

I

S

K

K

K

D

D

Q

H

F

V

Y

V

F

V

D

D

A
x
I

C

I

Y
|
Y

N

K

P

-

A

-

K

E

T

T

Q

K

F

L

L

L

L

K

D

K

A

A

E

K

E

E

A

K

G

G

A

A

T

K

I

L

L

F

N

D

G
|
G

L

L

G

P

M

M

S

L

L

L

Y

W

Q
|
Q

G

G

A

I

A

E

Q

A

I

F

E

K

Y

I

W

W

T

N

G

G

Q

C

E

E

P

V

P

P

I

Y

E

S

A

V

M

A

R

E

Q

R

K

S

L

V

L

R

D

D

I

L

SLS 19:21 (≠ SFA 21:23) binding shikimate
D82 (≠ P84) binding NADP(+)
N91 (= N93) binding shikimate
D106 (= D109) binding shikimate
GAGGA 130:134 (≠ GSGGA 134:138) binding NADP(+)
I214 (≠ A227) binding NADP(+)
Y216 (= Y229) binding shikimate
G235 (= G250) binding NADP(+)
Q242 (= Q257) binding shikimate

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
28% identity, 94% coverage: 13:280/286 of query aligns to 5:262/269 of Q5HNV1

query
sites
Q5HNV1

L

V

L

I

G

G

D

N

P

P

L

I

K

S

Q

H

S
|
S

F
x
L

A
x
S

A

P

Q

L

M

M

Q

H

N

H

C

A

G

N

Y

F

E

Q

A

S

A

L

G

N

L

L

N

E

M

N

I

T

Y

Y

F

E

Y

A

T

I

E

N

V

V

N

P

N

V

E

N

H

Q

L

F

A

Q

D

D

V

I

V

K

N

K

G

I

I

I

R

S

Y

E

M

K

N

S

F

I

A

D

G

G

F

F

A

N

V

V

T
|
T

K

I

P

P

N

H

K

K

V

E

K

R

V

I

L

I

E

P

Y

Y

L

L

D

D

E

D

L

I

D

N

P

E

L

Q

C

A

E

K

K

S

M

V

G

G

A

A

S

V

N
|
N

T

T

V

V

V

L

K

-

T

V

P

K

E

D

G

G

K

K

L

W

V

I

G

G

Y

Y

N

N

T

T

D
|
D

G

G

I

I

G

G

F

Y

I

V

R

N

S

G

M

L

E

K

R

Q

-

I

-

Y

D

E

G

G

N

-

V

-

K

-

I

I

D

E

E

D

N

A

I

Y

Y

I

F

L

C

I

I

L

G

G

S

A

G

G

A

A

G

S

R

K

A

G

M

I

C

A

S

N

A

E

L

L

A

Y

Y

K

Y

I

G

V

A

R

K

P

K

T

I

L

Y

T

I

V

T

A

D

N

V

R

F

T

E

M

E

S

S

R

S

F

K

N

S

N

L

W

V

S

E

L

D

N

I

I

N

N

K

K

N

I

F

N

A

L

P

S

V

H

A

A

E

E

F

-

C

-

P

-

A

-

G

-

D

-

F

-

S

S

K

H

V

L

K

D

E

E

A

F

T

D

V

I

L

I

N

N

A

T

S

T

G

P

I

A

G

G

M

M

G

N

S

G

H

N

I

T

G

-

E

D

N

S

P

V

L

I

P

S

K

L

E

N

F

R

I

L

S

A

K

S

D

H

Q

T

F

L

Y

V

F

S

D

D

A

I

C

V

Y
|
Y

N

N

P

P

A

Y

K

K

T

T

Q

P

F

I

L

L

L

I

D

E

A

A

E

E

E

Q

A

R

G

G

A

N

T

P

I

I

L

Y

N

N

G

G

L

L

G

D

M

M

S

F

L

V

Y

H

Q
|
Q

G

G

A

A

A

E

Q

S

I

F

E

K

Y

I

W

W

T

T

G

N

Q

L

E

E

P

P

P

D

I

I

E

K

A

A

M

M

R

K

Q

N

K

I

L

V

L

I

SLS 13:15 (≠ SFA 21:23) binding shikimate
T60 (= T68) binding shikimate
N85 (= N93) binding shikimate
D100 (= D109) binding shikimate
Y211 (= Y229) 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 (= Q257) binding shikimate

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
28% identity, 94% coverage: 13:280/286 of query aligns to 5:253/258 of 3dooA

query
sites
3dooA

L

V

L

I

G

G

D

N

P

P

L

I

K

S

Q

H

S
|
S

F

L

A
x
S

A

P

Q

L

M

M

Q

H

N

H

C

A

G

N

Y

F

E

Q

A

S

A

L

G

N

L

L

N

E

M

N

I

T

Y

Y

F

E

Y

A

T

I

E

N

V

V

N

P

N

V

E

N

H

Q

L

F

A

Q

D

D

V

I

V

K

N

K

G

I

I

I

R

S

Y

E

M

K

N

S

F

I

A

D

G

G

F

F

A
x
N

V

V

T
|
T

K

I

P

P

N

H

K
|
K

V

E

K

R

V

I

L

I

E

P

Y

Y

L

L

D

D

E

D

L

I

D

N

P

E

L

Q

C

A

E

K

K

S

M

V

G

G

A

A

S

V

N
|
N

T

T

V

V

V

L

K

-

T

V

P

K

E

D

G

G

K

K

L

W

V

I

G

G

Y

Y

N

N

T

T

D
|
D

G

G

I

I

G

G

F

Y

I

V

R

N

S

G

M

L

E

K

R

Q

-

I

-

Y

D

E

G

G

N

-

V

-

K

-

I

I

D

E

E

D

N

A

I

Y

Y

I

F

L

C

I

I

L

G

G

S

A

G

G

A

A

G

S

R

K

A

G

M

I

C

A

S

N

A

E

L

L

A

Y

Y

K

Y

I

G

V

A

R

K

P

K

T

I

L

Y

T

I

V

T

A

D

N

V

R

F

T

E

M

E

S

S

R

S

F

K

N

S

N

L

W

V

S

E

L

D

N

I

I

N

N

K

K

N

I

F

N

A

L

P

S

V

H

A

A

E

E

F

-

C

-

P

-

A

-

G

-

D

-

F

-

S

S

K

H

V

L

K

D

E

E

A

F

T

D

V

I

L

I

N

N

A

T

S

T

G

P

I

V

G

-

M

-

G

-

S

-

H

-

I

I

G

S

E

L

N

N

P

R

L

L

P

-

K

-

E

-

F

-

I

-

S

A

K

S

D

H

Q

T

F

L

Y

V

F

S

D

D

A

I

C

V

Y

Y

N

N

P

P

A

Y

K

K

T

T

Q

P

F

I

L

L

L

I

D

E

A

A

E

E

E

Q

A

R

G

G

A

N

T

P

I

I

L

Y

N

N

G

G

L

L

G

D

M

M

S
x
F

L

V

Y

H

Q
|
Q

G

G

A

A

A

E

Q

S

I

F

E

K

Y

I

W

W

T

T

G

N

Q

L

E

E

P

P

P

D

I

I

E

K

A

A

M

M

R

K

Q

N

K

I

L

V

L

I

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S13 (= S21), S15 (≠ A23), N58 (≠ A66), T60 (= T68), K64 (= K72), N85 (= N93), D100 (= D109), F227 (≠ S254), Q230 (= Q257)

2gptA Crystal structure of arabidopsis dehydroquinate dehydratase-shikimate dehydrogenase in complex with tartrate and shikimate (see paper)
31% identity, 96% coverage: 3:277/286 of query aligns to 229:484/498 of 2gptA

query
sites
2gptA

K

R

V

I

D

G

I

P

N

D

T

T

K

K

M

V

I

Y

T

G

L
x
I

L

I

G

G

D

K

P

P

L

V

K

S

Q

H

S
|
S

F

K

A
x
S

A

P

Q

I

M

V

Q

H

N

N

C

Q

G

A

Y

F

E

K

A

S

A

V

G

D

L

F

N

N

M

G

I

V

Y

Y

F

V

Y

H

T

L

E

L

V

V

N

D

N

N

E

-

H

-

L

L

A

V

D

S

V

F

V

L

N

Q

G

A

I

Y

R

S

Y

S

M

S

N

D

F

F

A

A

G

G

F

F

A

S

V

C

T
|
T

K

I

P

P

N

H

K
|
K

V

E

K

A

V

A

L

L

E

Q

Y

C

L

C

D

D

E

E

L

V

D

D

P

P

L

L

C

A

E

K

K

S

M

I

G

G

A

A

S

V

N
|
N

T

T

V

I

V

L

K

R

T

R

-

K

P

S

E

D

G

G

K

K

L

L

V

L

G

G

Y

Y

N

N

T

T

D
|
D

G

C

I

I

G

G

F

S

I

I

R

S

S

A

M

I

E

E

R

-

D

D

G

G

N

L

V

T

K

V

I

V

D

-

E

-

N

-

I

-

Y

-

F

-

C

V

I

I

G

G

S

A

G

G

A

A

G

G

R

K

A

A

M

L

C

A

S

Y

A

G

L

A

A

K

Y

E

Y

K

G

G

A

A

K

K

K

V

I

V

Y

I

I

A

T

N

D

R

V

T

F

Y

E

E

E

-

S

-

K

R

S

E

L

L

V

A

E

E

D

A

I

I

N

G

K

A

N

-

F

-

A

-

P

-

V

-

A

-

E

-

F

-

C

L

P

S

A

L

G

T

D

D

F

L

S

D

K

N

V

Y

K

E

E

D

A

G

T

M

V

V

V

L

L

A

N

N

A

T

S

T

G

S

I

M

G

G

M

M

G

Q

S

P

H

N

I

V

G

E

E

E

N

T

P

P

L

I

P

S

K

K

E

D

F

A

I

L

S

K

K

H

D

Y

Q

A

F

L

Y

V

F

F

D

D

A

A

C

V

Y
|
Y

N

T

P

P

A

R

K

I

T

T

Q

R

F

L

L

L

L

R

D

E

A

A

E

E

A

S

G

G

A

A

T

I

I

T

L

V

N

S

G

G

L

S

G

E

M

M

S

F

L

V

Y

R

Q
|
Q

G

A

A

Y

A

E

Q
|
Q

I

F

E

E

Y

I

W

F

T

T

G

G

Q

L

E

P

P

A

P

P

I

K

E

E

A

L

M

Y

R

W

Q

Q

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: I239 (≠ L13), S247 (= S21), S249 (≠ A23), T292 (= T68), K296 (= K72), N317 (= N93), D334 (= D109), Y436 (= Y229), Q464 (= Q257), Q468 (= Q261)

Sites not aligning to the query:

active site: 70, 125, 152

2o7sA Crystal structure of the a. Thaliana dhq-dehydroshikimate-sdh- shikimate-NADP(h)
31% identity, 96% coverage: 3:277/286 of query aligns to 229:486/500 of 2o7sA

query
sites
2o7sA

K

R

V

I

D

G

I

P

N

D

T

T

K

K

M

V

I

Y

T

G

L
x
I

L

I

G

G

D

K

P

P

L

V

K

S

Q

H

S
|
S

F

K

A
x
S

A

P

Q

I

M

V

Q

H

N

N

C

Q

G

A

Y

F

E

K

A

S

A

V

G

D

L

F

N

N

M

G

I

V

Y

Y

F

V

Y

H

T

L

E

L

V

V

N

D

N

N

E

-

H

-

L

L

A

V

D

S

V

F

V

L

N

Q

G

A

I

Y

R

S

Y

S

M

S

N

D

F

F

A

A

G

G

F

F

A

S

V

C

T
|
T

K
x
I

P
|
P

N

H

K
|
K

V

E

K

A

V

A

L

L

E

Q

Y

C

L

C

D

D

E

E

L

V

D

D

P

P

L

L

C

A

E

K

K

S

M

I

G

G

A

A

S

V

N
|
N

T

T

V

I

V

L

K

R

T

R

-

K

P

S

E

D

G

G

K

K

L

L

V

L

G

G

Y

Y

N

N

T

T

D
|
D

G

C

I

I

G

G

F

S

I

I

R

S

S

A

M

I

E

E

R

-

D

D

G

G

N

L

V

T

K

V

I

V

D

-

E

-

N

-

I

-

Y

-

F

-

C

V

I

I

G

G

S

A

G
|
G

A
|
A

G

G

R

K

A

A

M

L

C

A

S

Y

A

G

L

A

A

K

Y

E

Y

K

G

G

A

A

K

-

I

V

Y

V

I

I

T

A

D
x
N

V
x
R

F
x
T

E

Y

E

E

S
x
R

S

A

K

L

S

E

L

L

V

A

E

E

D

A

I

I

N

G

K

G

N

A

F

L

A

S

P

-

V

-

A

-

E

-

F

-

C

-

P

-

A

L

G

T

D

D

F

L

S

D

K

N

V

Y

K

E

E

D

A

G

T

M

V

V

V

L

L

A

N

N

A

T

S
x
T

G
x
S

I
x
M

G

G

M

M

G

Q

S

P

H

N

I

V

G

E

E

E

N

T

P

P

L

I

P

S

K

K

E

D

F

A

I

L

S

K

K

H

D

Y

Q

A

F

L

Y

V

F

F

D

D

A
|
A

C

V

Y
|
Y

N

T

P

P

A

R

K

I

T

T

Q

R

F

L

L

L

L

R

D

E

A

A

E

E

A

S

G

G

A

A

T

I

I

T

L

V

N

S

G

G

L

S

G

E

M
|
M

S
x
F

L

V

Y

R

Q
|
Q

G

A

A

Y

A

E

Q
|
Q

I

F

E

E

Y

I

W

F

T

T

G

G

Q

L

E

P

P

A

P

P

I

K

E

E

A

L

M

Y

R

W

Q

Q

binding 3-dehydroshikimate: I239 (≠ L13), S247 (= S21), S249 (≠ A23), T292 (= T68), K296 (= K72), N317 (= N93), D334 (= D109), Y438 (= Y229), Q466 (= Q257), Q470 (= Q261)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I293 (≠ K69), P294 (= P70), K296 (= K72), D334 (= D109), G354 (= G136), G355 (= G137), A356 (= A138), N374 (≠ D158), R375 (≠ V159), T376 (≠ F160), R379 (≠ S163), T409 (≠ S200), S410 (≠ G201), M411 (≠ I202), A436 (= A227), M462 (= M253), F463 (≠ S254)

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)
28% identity, 96% coverage: 3:277/286 of query aligns to 229:487/501 of 2o7qA

query
sites
2o7qA

K

R

V

I

D

G

I

P

N

D

T

T

K

K

M

V

I

Y

T

G

L
x
I

L

I

G

G

D

K

P

P

L

V

K

S

Q

H

S
|
S

F

K

A
x
S

A

P

Q

I

M

V

Q

H

N

N

C

Q

G

A

Y

F

E

K

A

S

A

V

G

D

L

F

N

N

M

G

I

V

Y

Y

F

V

Y

H

T

L

E

L

V

V

N

D

N

N

E

-

H

-

L

L

A

V

D

S

V

F

V

L

N

Q

G

A

I

Y

R

S

Y

S

M

S

N

D

F

F

A

A

G

G

F

F

A

S

V

C

T
|
T

K

I

P

P

N

H

K
|
K

V

E

K

A

V

A

L

L

E

Q

Y

C

L

C

D

D

E

E

L

V

D

D

P

P

L

L

C

A

E

K

K

S

M

I

G

G

A

A

S

V

N

N

T

T

V

I

V

L

K

R

T

R

-

K

P

S

E

D

G

G

K

K

L

L

V

L

G

G

Y

Y

N

N

T

T

D
|
D

G

C

I

I

G

G

F

S

I

I

R

S

S

A

M

I

E

E

R

D

D

G

G

L

N

T

V

V

K

V

I

V

D

I

E

G

N

A

I

G

Y

G

F

A

C

G

I

K

G

A

S

L

G

A

G

Y

A

G

G

A

R

K

A

E

M

K

C

A

S

-

A

-

L

-

A

-

Y

-

G

-

A

-

K

-

K

K

I

V

Y

V

I

I

T

A

D

N

V

R

F

T

E

Y

E

E

S

R

S

A

K

L

S

E

L

L

V

A

E

E

D

A

I

I

N

G

K

G

N

K

F

A

A

L

P

S

V

L

A

T

E

-

F

-

C

-

P

-

A

-

G

-

D

D

F

L

S

D

K

N

V

Y

K

E

E

D

A

G

T

M

V

V

V

L

L

A

N

N

A

T

S

T

G

S

I

M

G

G

M

M

G

Q

S

P

H

N

I

V

G

E

E

E

N

T

P

P

L

I

P

S

K

K

E

D

F

A

I

L

S

K

K

H

D

Y

Q

A

F

L

Y

V

F

F

D

D

A

A

C

V

Y
|
Y

N

T

P

P

A

R

K

I

T

T

Q

R

F

L

L

L

L

R

D

E

A

A

E

E

A

S

G

G

A

A

T

I

I

T

L

V

N

S

G

G

L

S

G

E

M

M

S
x
F

L

V

Y

R

Q
|
Q

G

A

A

Y

A

E

Q
|
Q

I

F

E

E

Y

I

W

F

T

T

G

G

Q

L

E

P

P

A

P

P

I

K

E

E

A

L

M

Y

R

W

Q

Q

binding 3-dehydroshikimate: I239 (≠ L13), S247 (= S21), S249 (≠ A23), T292 (= T68), K296 (= K72), D334 (= D109), Y439 (= Y229), F464 (≠ S254), Q467 (= Q257), Q471 (= Q261)

Sites not aligning to the query:

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

6bmqA Crystal structure of arabidopsis dehydroquinate dehydratase-shikimate dehydrogenase (t381g mutant) in complex with tartrate and shikimate (see paper)
31% identity, 96% coverage: 3:277/286 of query aligns to 229:484/498 of 6bmqA

query
sites
6bmqA

K

R

V

I

D

G

I

P

N

D

T

T

K

K

M

V

I

Y

T

G

L

I

G

G

D

K

P

P

L

V

K

S

Q

H

S
|
S

F

K

A
x
S

A

P

Q

I

M

V

Q

H

N

N

C

Q

G

A

Y

F

E

K

A

S

A

V

G

D

L

F

N

N

M

G

I

V

Y

Y

F

V

Y

H

T

L

E

L

V

V

N

D

N

N

E

-

H

-

L

L

A

V

D

S

V

F

V

L

N

Q

G

A

I

Y

R

S

Y

S

M

S

N

D

F

F

A

A

G

G

F

F

A

S

V
x
C

T

G

K

I

P

P

N

H

K
|
K

V

E

K

A

V

A

L

L

E

Q

Y

C

L

C

D

D

E

E

L

V

D

D

P

P

L

L

C

A

E

K

K

S

M

I

G

G

A

A

S

V

N
|
N

T

T

V

I

V

L

K

R

T

R

-

K

P

S

E

D

G

G

K

K

L

L

V

L

G

G

Y

Y

N

N

T

T

D
|
D

G

C

I

I

G

G

F

S

I

I

R

S

S

A

M

I

E

E

R

-

D

D

G

G

N

L

V

T

K

V

I

V

D

-

E

-

N

-

I

-

Y

-

F

-

C

V

I

I

G

G

S

A

G

G

A

A

G

G

R

K

A

A

M

L

C

A

S

Y

A

G

L

A

A

K

Y

E

Y

K

G

G

A

A

K

K

K

V

I

V

Y

I

I

A

T

N

D

R

V

T

F

Y

E

E

E

-

S

-

K

R

S

E

L

L

V

A

E

E

D

A

I

I

N

G

K

A

N

-

F

-

A

-

P

-

V

-

A

-

E

-

F

-

C

L

P

S

A

L

G

T

D

D

F

L

S

D

K

N

V

Y

K

E

E

D

A

G

T

M

V

V

V

L

L

A

N

N

A

T

S

T

G

S

I

M

G

G

M

M

G

Q

S

P

H

N

I

V

G

E

E

E

N

T

P

P

L

I

P

S

K

K

E

D

F

A

I

L

S

K

K

H

D

Y

Q

A

F

L

Y

V

F

F

D

D

A

A

C

V

Y
|
Y

N

T

P

P

A

R

K

I

T

T

Q

R

F

L

L

L

L

R

D

E

A

A

E

E

A

S

G

G

A

A

T

I

I

T

L

V

N

S

G

G

L

S

G

E

M

M

S

F

L

V

Y

R

Q
|
Q

G

A

A

Y

A

E

Q

Q

I

F

E

E

Y

I

W

F

T

T

G

G

Q

L

E

P

P

A

P

P

I

K

E

E

A

L

M

Y

R

W

Q

Q

binding (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid: S247 (= S21), S249 (≠ A23), C291 (≠ V67), K296 (= K72), N317 (= N93), D334 (= D109), Y436 (= Y229), Q464 (= Q257)

Sites not aligning to the query:

active site: 70, 125, 152

Query Sequence

>WP_005347030.1 NCBI__GCF_000173975.1:WP_005347030.1
MAKVDINTKMITLLGDPLKQSFAAQMQNCGYEAAGLNMIYFYTEVNNEHLADVVNGIRYM
NFAGFAVTKPNKVKVLEYLDELDPLCEKMGASNTVVKTPEGKLVGYNTDGIGFIRSMERD
GNVKIDENIYFCIGSGGAGRAMCSALAYYGAKKIYITDVFEESSKSLVEDINKNFAPVAE
FCPAGDFSKVKEATVVLNASGIGMGSHIGENPLPKEFISKDQFYFDACYNPAKTQFLLDA
EEAGATILNGLGMSLYQGAAQIEYWTGQEPPIEAMRQKLLDIISEK

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