SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011391360.1 NCBI__GCF_000013085.1:WP_011391360.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
35% identity, 94% coverage: 1:266/283 of query aligns to 1:252/267 of 2hk9B

query
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2hk9B

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binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (= V67), G130 (= G133), G133 (= G136), A134 (= A137), N153 (= N157), R154 (= R158), T155 (≠ D159), K158 (≠ R162), T188 (= T200), S189 (= S201), V190 (≠ L202), I214 (= I226), M238 (= M252), L239 (= L253)
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 (= D107), Y216 (= Y228), L239 (= L253), Q242 (= Q256)

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
35% identity, 94% coverage: 1:266/283 of query aligns to 1:252/269 of 2hk9A

query
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2hk9A

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binding 2'-monophosphoadenosine-5'-diphosphate: V67 (= V67), G132 (= G135), G133 (= G136), A134 (= A137), N153 (= N157), R154 (= R158), T155 (≠ D159), T188 (= T200), S189 (= S201), V190 (≠ L202)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S19), S21 (= S21), N64 (= N64), K70 (= K70), N91 (= N91), D106 (= D107), Y216 (= Y228), L239 (= L253), Q242 (= Q256)

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
35% identity, 94% coverage: 1:266/283 of query aligns to 1:252/269 of O67049

query
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O67049

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SLS 19:21 (≠ SRS 19:21) binding shikimate
D82 (≠ E82) binding NADP(+)
N91 (= N91) binding shikimate
D106 (= D107) binding shikimate
GAGGA 130:134 (= GAGGA 133:137) binding NADP(+)
I214 (= I226) binding NADP(+)
Y216 (= Y228) binding shikimate
G235 (= G249) binding NADP(+)
Q242 (= Q256) binding shikimate

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
32% identity, 96% coverage: 11:282/283 of query aligns to 5:264/269 of Q5HNV1

query
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Q5HNV1

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SLS 13:15 (≠ SRS 19:21) binding shikimate
T60 (= T66) binding shikimate
N85 (= N91) binding shikimate
D100 (= D107) binding shikimate
Y211 (= Y228) 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 (= Q256) binding shikimate

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, 100% coverage: 1:282/283 of query aligns to 1:279/282 of Q58484

query
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Q58484

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D

A

E

L

I

T

D

E

K

R

D

A

A

R

Q

R

L

I

I

G

G

A

A

V

V

N

N

T

T

I

I

V

K

C

I

Q

E

S

-

D

D

G

G

R

K

L

A

L

I

G

G

D

Y

N

N

T

T

D

D

G

G

F

I

G

G

F

A

L

R

E

M

N

A

L

L

R

E

Q

E

R

E

R

I

P

-

D

-

W

G

R

R

A

V

G

K

H

D

G

K

P

N

A

I

V

V

V

I

L

Y

G
|
G

A
|
A

G
|
G

A
|
A

A

A

R

R

A

A

V

V

C

A

A

F

S

E

L

L

L

-

E

-

A

A

G

K

C

D

P

N

A

N

L

I

T

I

L

I

V

A

N
|
N

R
|
R

D
x
T

Q
x
V

G
x
E

R
x
K

A

A

R

E

A

A

L

L

A

A

E

K

A

E

L

I

A

A

A

E

W

-

S

-

P

-

V

-

P

K

I

L

T

N

L

K

A

K

T

F

W

G

D

E

E

E

A

V

P

K

R

F

T

S

-

G

-

L

-

D

-

V

-

D

L

L

G

D

G

G

A

V

A

D

L

I

V

I

N

N

T

A

T
|
T

S

P

L

I

G

G

M
|
M

V

-

G

-

Q

Y

P

P

P

N

L

I

D

D

L

V

D

E

-

P

-

I

-

V

-

K

L

A

R

E

G

K

L

L

A

R

P

E

S

D

A

M

L

V

V

V

T

M

D

D

I
x
L

V

I

Y

Y

A

N

P

P

L

L

E

E

T

T

P

V

L

L

A

K

R

E

A

A

R

K

A

K

L

V

G

N

L

A

A

K

T

T

V

I

D

N

G

G

L

L

G

G

M

M

L

L

L

I

H

Y

Q

Q

G

G

R

A

P

V

G

A

F

F

E

K

A

I

W

W

F

T

G

G

V

V

A

E

P

P

E

N

V

I

D

-

D

E

A

V

L

M

R

K

A

N

A

A

V

I

L

I

G

D

K

K

GAGGA 130:134 (= GAGGA 133:137) binding NADP(+)
NRTVEK 152:157 (≠ NRDQGR 157:162) binding NADP(+)
T196 (= T200) binding NADP(+)
M200 (= M204) binding NADP(+)
L224 (≠ I226) binding NADP(+)

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
36% identity, 100% coverage: 1:282/283 of query aligns to 6:284/287 of 1nvtB

query
sites
1nvtB

M

M

I

I

T

N

G

A

K

K

A

T

R

K

V

V

A

I

G

G

V

L

I

I

G

G

W

H

P

P

V

V

G
x
E

H
|
H

S

S

R

F

S

S

P

P

R

I

L

M

H

H

G

N

F

A

W

A

L

F

A

K

R

D

H

K

G

G

I

L

D

N

G

Y

A

V

Y

Y

V

V

P

A

L

F

A

D

V

V

A

L

P

P

E

E

A

N

L

L

E

K

R

Y

A

V

L

I

A

D

A

G

L

A

P

K

A

A

L

L

G

G

L

I

A

V

G

G

V

F

N

N

V

V

T

T

V
x
I

P

P

H

H

K
|
K

E

I

H

E

A

I

L

M

A

K

R

Y

M

L

D

D

A

E

L

I

T

D

E

K

R

D

A

A

R

Q

R

L

I

I

G

G

A

A

V

V

N

N

T

T

I

I

V

K

C

I

Q

E

S

-

D

D

G

G

R

K

L

A

L

I

G

G

D

Y

N

N

T

T

D
|
D

G

G

F

I

G

G

F

A

L

R

E

M

N

A

L

L

R

E

Q

E

R

E

R

I

P

-

D

-

W

G

R

R

A

V

G

K

H

D

G

K

P

N

A

I

V

V

V

I

L

Y

G
|
G

A

A

G
|
G

A
|
A

A

A

R

R

A

A

V

V

C

A

A

F

S

E

L

L

L

-

E

-

A

A

G

K

C

D

P

N

A

N

L

I

T

I

L

I

V

A

N
|
N

R
|
R

D
x
T

Q

V

G

E

R
x
K

A

A

R

E

A

A

L

L

A

A

E

K

A

E

L

I

A

A

A

E

W

-

S

-

P

-

V

-

P

K

I

L

T

N

L

K

A

K

T

F

W

G

D

E

E

E

A

V

P

K

R

F

T

S

-

G

-

L

-

D

-

V

-

D

L

L

G

D

G

G

A

V

A

D

L

I

V

I

N

N

T
x
A

T
|
T

S
x
P

L
x
I

G

G

M
|
M

V

-

G

-

Q

Y

P

P

P

N

L

I

D

D

L

V

D

E

-

P

-

I

-

V

-

K

L

A

R

E

G

K

L

L

A

R

P

E

S

D

A

M

L

V

V

V

T

M

D

D

I
x
L

V

I

Y
|
Y

A

N

P

P

L

L

E

E

T

T

P

V

L

L

A

K

R

E

A

A

R

K

A

K

L

V

G

N

L

A

A

K

T

T

V

I

D

N

G

G

L

L

G

G

M
|
M

L
|
L

L

I

H

Y

Q

Q

G

G

R

A

P

V

G

A

F

F

E

K

A

I

W

W

F

T

G

G

V

V

A

E

P

P

E

N

V

I

D

-

D

E

A

V

L

M

R

K

A

N

A

A

V

I

L

I

G

D

K

K

active site: K75 (= K70), D111 (= D107)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I72 (≠ V67), G135 (= G133), G137 (= G135), G138 (= G136), A139 (= A137), N157 (= N157), R158 (= R158), T159 (≠ D159), K162 (≠ R162), A200 (≠ T199), T201 (= T200), P202 (≠ S201), I203 (≠ L202), M205 (= M204), L229 (≠ I226), Y231 (= Y228), M255 (= M252), L256 (= L253)
binding zinc ion: E22 (≠ G17), H23 (= H18)

1nvtA Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
36% identity, 100% coverage: 1:282/283 of query aligns to 6:284/287 of 1nvtA

query
sites
1nvtA

M

M

I

I

T

N

G

A

K

K

A

T

R

K

V

V

A

I

G

G

V

L

I

I

G

G

W

H

P

P

V

V

G

E

H

H

S

S

R

F

S

S

P

P

R

I

L

M

H

H

G

N

F

A

W

A

L

F

A

K

R

D

H

K

G

G

I

L

D

N

G

Y

A

V

Y

Y

V

V

P

A

L

F

A

D

V

V

A

L

P

P

E

E

A

N

L

L

E

K

R

Y

A

V

L

I

A

D

A

G

L

A

P

K

A

A

L

L

G

G

L

I

A

V

G

G

V

F

N

N

V

V

T

T

V

I

P

P

H

H

K
|
K

E

I

H

E

A

I

L

M

A

K

R

Y

M

L

D

D

A

E

L

I

T

D

E

K

R

D

A

A

R

Q

R

L

I

I

G

G

A

A

V

V

N

N

T

T

I

I

V

K

C

I

Q

E

S

-

D

D

G

G

R

K

L

A

L

I

G

G

D

Y

N

N

T

T

D
|
D

G

G

F

I

G

G

F

A

L

R

E

M

N

A

L

L

R

E

Q

E

R

E

R

I

P

-

D

-

W

G

R

R

A

V

G

K

H

D

G

K

P

N

A

I

V

V

V

I

L

Y

G
|
G

A

A

G

G

A
|
A

A

A

R

R

A

A

V

V

C

A

A

F

S

E

L

L

L

-

E

-

A

A

G

K

C

D

P

N

A

N

L

I

T

I

L

I

V

A

N
|
N

R
|
R

D
x
T

Q

V

G

E

R
x
K

A

A

R

E

A

A

L

L

A

A

E

K

A

E

L

I

A

A

A

E

W

-

S

-

P

-

V

-

P

K

I

L

T

N

L

K

A

K

T

F

W

G

D

E

E

E

A

V

P

K

R

F

T

S

-

G

-

L

-

D

-

V

-

D

L

L

G

D

G

G

A

V

A

D

L

I

V

I

N

N

T
x
A

T
|
T

S
x
P

L
x
I

G

G

M
|
M

V

-

G

-

Q

Y

P

P

P

N

L

I

D

D

L

V

D

E

-

P

-

I

-

V

-

K

L

A

R

E

G

K

L

L

A

R

P

E

S

D

A

M

L

V

V

V

T

M

D

D

I
x
L

V

I

Y
|
Y

A

N

P

P

L

L

E

E

T

T

P

V

L

L

A

K

R

E

A

A

R

K

A

K

L

V

G

N

L

A

A

K

T

T

V

I

D

N

G
|
G

L

L

G

G

M
|
M

L
|
L

L

I

H

Y

Q

Q

G

G

R

A

P

V

G

A

F

F

E

K

A

I

W

W

F

T

G

G

V

V

A

E

P

P

E

N

V

I

D

-

D

E

A

V

L

M

R

K

A

N

A

A

V

I

L

I

G

D

K

K

active site: K75 (= K70), D111 (= D107)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G135 (= G133), A139 (= A137), N157 (= N157), R158 (= R158), T159 (≠ D159), K162 (≠ R162), A200 (≠ T199), T201 (= T200), P202 (≠ S201), I203 (≠ L202), M205 (= M204), L229 (≠ I226), Y231 (= Y228), G252 (= G249), M255 (= M252), L256 (= L253)

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
31% identity, 96% coverage: 11:282/283 of query aligns to 5:255/258 of 3dooA

query
sites
3dooA

V

V

I

I

G

G

W

N

P

P

V

I

G

S

H

H

S
|
S

R

L

S
|
S

P

P

R

L

L

M

H

H

G

H

F

A

W

N

L

F

A

Q

R

S

H

L

G

N

I

L

D

E

G

N

A

T

Y

Y

V

E

P

A

L

I

A

N

V

V

A

P

P

V

E

N

A

Q

L

F

E

Q

R

D

A

I

L

K

A

K

A

I

L

I

P

S

A

E

L

K

G

S

L

I

A

D

G

G

V

F

N
|
N

V

V

T
|
T

V

I

P

P

H

H

K
|
K

E

E

H

R

A

I

L

I

A

P

R

Y

M

L

D

D

A

D

L

I

T

N

E

E

R

Q

A

A

R

K

R

S

I

V

G

G

A

A

V

V

N
|
N

T

T

I

V

V

L

C

V

Q

K

S

-

D

D

G

G

R

K

L

W

L

I

G

G

D

Y

N

N

T

T

D
|
D

G

G

F

I

G

G

F

Y

L

V

E

N

N

G

L

L

R

K

Q

Q

R

I

R

Y

P

E

D

G

W

I

R

E

A

D

G

A

H

Y

G

-

P

-

A

I

V

L

V

I

L

L

G

G

A

A

G

G

A

A

A

S

R

K

A

G

V

I

C

A

A

N

S

E

L

L

L

Y

E

K

A

I

G

V

C

R

P

P

A

T

L

L

T

T

L

V

V

A

N

N

R

R

D

T

Q

M

G

S

R

R

A

-

R

-

A

-

L

-

A

-

E

-

A

-

L

F

A

N

W

W

S

S

P

-

V

L

P

N

I

I

T

N

L

K

A

I

T

N

W

L

D

S

E

H

A

A

P

E

R

S

T

H

L

L

G

D

G

E

A

F

A

D

L

I

V

I

N

N

T

T

S

P

L

V

G

-

M

-

V

-

G

-

Q

-

P

-

L

-

D

-

L

I

D

S

L

L

R

N

G

R

L

L

A

A

P

S

S

H

A

T

L

L

V

V

T

S

D

D

I

I

V

V

Y

Y

A

N

P

P

L

Y

E

K

T

T

P

P

L

I

L

L

A

I

R

E

A

A

R

E

A

Q

L

R

G

G

L

N

A

P

T

I

V

Y

D

N

G

G

L

L

G

D

M

M

L
x
F

L

V

H

H

Q
|
Q

G

G

R

A

P

E

G

S

F

F

E

K

A

I

W

W

F

T

G

N

V

L

A

E

P

P

E

D

V

I

D

-

D

K

A

A

L

M

R

K

A

N

A

I

V

V

L

I

G

Q

K

K

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 (= D107), F227 (≠ L253), Q230 (= Q256)

P15770 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Escherichia coli (strain K12) (see paper)
38% identity, 94% coverage: 11:276/283 of query aligns to 6:264/272 of P15770

query
sites
P15770

V

V

I

F

G

G

W

N

P

P

V

I

G

A

H

H

S

S

R

K

S

S

P

P

R

F

L

I

H

H

G

Q

F

Q

W

F

L

A

A

Q

R

Q

H

L

G

N

I

I

D

E

G

H

A

P

Y

Y

V

G

P

R

L

V

A

L

V

A

A

P

P

I

E

N

A

D

L

F

E

I

R

N

A

T

L

L

A

N

A

A

L

F

P

F

A

S

L

A

G

G

L

G

A

K

G

G

V

A

N

N

V

V

T

T

V

V

P

P

H

F

K

K

E

E

H

E

A

A

L

F

A

A

R

R

M

A

D

D

A

E

L

L

T

T

E

E

R

R

A

A

R

A

R

L

I

A

G

G

A

A

V

V

N

N

T

T

I

L

V

M

C

R

Q

L

S

E

D

D

G

G

R

R

L

L

G

G

D

D

N

N

T

T

D

D

G

G

F

V

G

G

F

L

L

L

E

S

N

D

L

L

R

E

Q

R

R

L

-

S

-

F

-

I

R

R

P

P

D

G

W

L

R

R

A

-

G

-

H

-

G

-

P

-

A

I

V

L

L

I

G
|
G

A
|
A

G
|
G

A
|
A

A

S

R

R

A

G

V

V

C

L

A

L

S

P

L

L

E

S

A

L

G

D

C

C

P

-

A

A

L

V

T

T

L

I

V

T

N
|
N

R
|
R

D
x
T

Q
x
V

G
x
S

R
|
R

A

A

R

E

A

E

L

L

A

A

E

K

A

L

L

F

A

A

A

H

W

T

S

G

P

-

V

-

P

S

I

I

T

Q

L

A

A

L

T

S

W

M

D

D

E

E

A

-

P

-

R

-

T

-

L

L

G

E

G

G

A

H

A

E

-

F

-

D

L

L

L

I

V

I

N

N

T

A

T

T

S

S

L

S

G

G

M

I

V

S

G

G

Q

D

P

I

P

P

L

A

D

-

L

I

D

P

L

S

R

S

G

L

L

I

A

H

P

P

S

G

A

I

L

Y

V

C

T

Y

D

D

I
x
M

V

F

Y

Y

A

Q

P

K

L

G

E

K

T

T

P

P

L

F

L

L

A

A

R

W

A

C

R

E

A

Q

L

R

G

G

L

S

A

K

-

R

T

N

V

A

D

D

G
|
G

L

L

G

G

M

M

L

L

L

V

H

A

Q

Q

G

A

R

A

P

H

G

A

F

F

E

L

A

L

W

W

F

H

G

G

V

V

A

L

P

P

E

D

V

V

D

E

D

P

A

V

L

I

R

K

GAGGA 126:130 (= GAGGA 133:137) binding NADP(+)
NRTVSR 149:154 (≠ NRDQGR 157:162) binding NADP(+)
M213 (≠ I226) binding NADP(+)
G237 (= G249) binding NADP(+)

1nytA Shikimate dehydrogenase aroe complexed with NADP+ (see paper)
38% identity, 94% coverage: 11:276/283 of query aligns to 6:264/271 of 1nytA

query
sites
1nytA

V

V

I

F

G

G

W

N

P

P

V

I

G

A

H

H

S

S

R

K

S

S

P

P

R

F

L

I

H

H

G

Q

F

Q

W

F

L

A

A

Q

R

Q

H

L

G

N

I

I

D

E

G

H

A

P

Y

Y

V

G

P

R

L

V

A

L

V

A

A

P

P

I

E

N

A

D

L

F

E

I

R

N

A

T

L

L

A

N

A

A

L

F

P

F

A

S

L

A

G

G

L

G

A

K

G

G

V

A

N

N

V

V

T

T

V

V

P

P

H

F

K
|
K

E

E

H

E

A

A

L

F

A

A

R

R

M

A

D

D

A

E

L

L

T

T

E

E

R

R

A

A

R

A

R

L

I

A

G

G

A

A

V

V

N

N

T

T

I

L

V

M

C

R

Q

L

S

E

D

D

G

G

R

R

L

L

G

G

D

D

N

N

T

T

D
|
D

G

G

F

V

G

G

F

L

L

L

E

S

N

D

L

L

R

E

Q

R

R

L

-

S

-

F

-

I

R

R

P

P

D

G

W

L

R

R

A

-

G

-

H

-

G

-

P

-

A

I

V

L

L

I

G

G

A

A

G
|
G

A
|
A

A

S

R

R

A

G

V

V

C

L

A

L

S

P

L

L

E

S

A

L

G

D

C

C

P

-

A

A

L

V

T

T

L

I

V

T

N
|
N

R
|
R

D
x
T

Q

V

G

S

R
|
R

A

A

R

E

A

E

L

L

A

A

E

K

A

L

L

F

A

A

A

H

W

T

S

G

P

-

V

-

P

S

I

I

T

Q

L

A

A

L

T

S

W

M

D

D

E

E

A

-

P

-

R

-

T

-

L

L

G

E

G

G

A

H

A

E

-

F

-

D

L

L

L

I

V

I

N

N

T

A

T
|
T

S
|
S

L
x
S

G

G

M

I

V

S

G

G

Q

D

P

I

P

P

L

A

D

-

L

I

D

P

L

S

R

S

G

L

L

I

A

H

P

P

S

G

A

I

L

Y

V

C

T

Y

D

D

I
x
M

V

F

Y

Y

A

Q

P

K

L

G

E

K

T

T

P

P

L

F

L

L

A

A

R

W

A

C

R

E

A

Q

L

R

G

G

L

S

A

K

-

R

T

N

V

A

D

D

G
|
G

L

L

G

G

M
|
M

L
|
L

L

V

H

A

Q

Q

G

A

R

A

P

H

G

A

F

F

E

L

A

L

W

W

F

H

G

G

V

V

A

L

P

P

E

D

V

V

D

E

D

P

A

V

L

I

R

K

binding nadp nicotinamide-adenine-dinucleotide phosphate: K65 (= K70), D102 (= D107), G128 (= G135), G129 (= G136), A130 (= A137), N149 (= N157), R150 (= R158), T151 (≠ D159), R154 (= R162), T188 (= T200), S189 (= S201), S190 (≠ L202), M213 (≠ I226), G237 (= G249), M240 (= M252), L241 (= L253)

1npdB X-ray structure of shikimate dehydrogenase complexed with NAD+ from e.Coli (ydib) northeast structural genomics research consortium (nesg) target er24 (see paper)
35% identity, 94% coverage: 2:266/283 of query aligns to 3:272/288 of 1npdB

query
sites
1npdB

I

V

T

T

G

A

K

K

A

Y

R

E

V

L

A

I

G

G

V

L

I

M

G

A

W

Y

P

P

V

I

G

R

H

H

S

S

R

L

S

S

P

P

R

E

L

M

H

Q

G

N

F

K

W

A

L

L

A

E

R

K

H

A

G

G

I

L

D

P

G

F

A

T

Y

Y

V

M

P

A

L

F

A

E

V

V

A

D

P

N

E

D

A

S

L

F

E

P

R

G

A

A

L

I

A

E

A

G

L

L

P

K

A

A

L

L

G

K

L

M

A

R

G

G

V

T

N

G

V

V

T

S

V

M

P

P

H

N

K

K

E

Q

H

L

A

A

L

C

A

E

R

Y

M

V

D

D

A

E

L

L

T

T

E

P

R

A

A

A

R

K

R

L

I

V

G

G

A

A

V

I

N

N

T

T

I

I

V

V

C

-

Q

N

S

D

D

D

G

G

R

Y

L

L

L

R

G

G

D

Y

N

N

T

T

D

D

G

G

F

T

G

G

F

H

L

I

E

R

N

A

L

I

R

K

Q

E

R

S

R

G

P

F

D

D

W

I

R

K

A

G

G

-

H

-

G

K

P

T

A

M

V

V

V

L

L

L

G

G

A
|
A

G
|
G

A
|
A

A

S

R

T

A

A

V

I

C

G

A

A

S

Q

L

G

L

A

E

I

A

E

G

G

C

L

P

K

A

E

L

I

T

K

L

L

V

F

N
|
N

-
x
R

R

R

D
|
D

Q

E

G
x
F

R

F

A

D

R

K

A

A

L

L

A

A

E

F

A

A

L

Q

A

R

A

V

W

N

S

E

P

N

V

T

P

D

I

C

T

V

L

V

A

T

T

V

W

T

D

D

E

L

A

A

P

D

R

Q

T

Q

-

A

-

F

-

A

-

E

-

A

L

L

G

A

G

S

A

A

A

D

L

I

L

L

V

T

N

N

T

G

T
|
T

S
x
K

L
x
V

G

G

M
|
M

-

K

-

P

V

L

G

E

Q

N

P

E

P

S

L

L

D

V

L

N

D

D

L

I

R

S

G

L

L

L

A

H

P

P

S

G

A

L

L

L

V

V

T

T

D

E

I
x
C

V

V

Y

Y

A

N

P

P

L

H

E

M

T

T

P

K

L

L

A

Q

R

Q

A

A

R

Q

A

Q

L

A

G

G

L

C

A

K

T

T

V

I

D

D

G

G

L

Y

G

G

M
|
M

L
|
L

L

L

H

W

Q

Q

G

G

R

A

P

E

G

Q

F

F

E

T

A

L

W

W

F

T

G

G

binding nicotinamide-adenine-dinucleotide: A132 (= A134), G133 (= G135), G134 (= G136), A135 (= A137), N155 (= N157), R156 (vs. gap), D158 (= D159), F160 (≠ G161), T204 (= T200), K205 (≠ S201), V206 (≠ L202), M208 (= M204), C232 (≠ I226), M258 (= M252), L259 (= L253)

P0A6D5 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Escherichia coli (strain K12) (see 4 papers)
35% identity, 94% coverage: 2:266/283 of query aligns to 3:272/288 of P0A6D5

query
sites
P0A6D5

I

V

T

T

G

A

K

K

A

Y

R

E

V

L

A

I

G

G

V

L

I

M

G

A

W

Y

P

P

V

I

G

R

H

H

S

S

R

L

S
|
S

P

P

R

E

L

M

H

Q

G

N

F

K

W

A

L

L

A

E

R

K

H

A

G

G

I

L

D

P

G

F

A

T

Y
|
Y

V

M

P

A

L

F

A

E

V

V

A

D

P

N

E

D

A

S

L

F

E

P

R

G

A

A

L

I

A

E

A

G

L

L

P

K

A

A

L

L

G

K

L

M

A

R

G

G

V

T

N

G

V

V

T
x
S

V

M

P

P

H

N

K
|
K

E

Q

H

L

A

A

L

C

A

E

R

Y

M

V

D

D

A

E

L

L

T

T

E

P

R

A

A

A

R

K

R

L

I

V

G

G

A

A

V

I

N
|
N

T

T

I

I

V

V

C

-

Q

N

S

D

D

D

G

G

R

Y

L

L

L

R

G

G

D

Y

N

N

T
|
T

D
|
D

G

G

F

T

G

G

F

H

L

I

E

R

N

A

L

I

R

K

Q

E

R

S

R

G

P

F

D

D

W

I

R

K

A

G

G

-

H

-

G

K

P

T

A

M

V

V

V

L

L

L

G

G

A
|
A

G
|
G

A
|
A

A

S

R

T

A

A

V

I

C

G

A

A

S

Q

L

G

L

A

E

I

A

E

G

G

C

L

P

K

A

E

L

I

T

K

L

L

V

F

N
|
N

-
x
R

R
|
R

D
|
D

Q

E

G

F

R

F

A

D

R

K

A

A

L

L

A

A

E

F

A

A

L

Q

A

R

A

V

W

N

S

E

P

N

V

T

P

D

I

C

T

V

L

V

A

T

T

V

W

T

D

D

E

L

A

A

P

D

R

Q

T

Q

-

A

-

F

-

A

-

E

-

A

L

L

G

A

G

S

A

A

A

D

L

I

L

L

V

T

N

N

T

G

T

T

S
x
K

L

V

G

G

M

M

-

K

-

P

V

L

G

E

Q

N

P

E

P

S

L

L

D

V

L

N

D

D

L

I

R

S

G

L

L

L

A

H

P

P

S

G

A

L

L

L

V

V

T

T

D

E

I
x
C

V
|
V

Y
|
Y

A
x
N

P

P

L

H

E

M

T

T

P

K

L

L

A

Q

R

Q

A

A

R

Q

A

Q

L

A

G

G

L

C

A

K

T

T

V

I

D

D

G
|
G

L

Y

G

G

M

M

L

L

H

W

Q
|
Q

G

G

R

A

P

E

G

Q

F

F

E

T

A

L

W

W

F

T

G

G

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 (= T106) 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 (= D107) mutation to A: Loss of activity towards quinate. 20000-fold decrease in the affinity for shikimate.
AGGA 132:135 (= AGGA 134:137) binding NAD(+)
NRRD 155:158 (≠ N-RD 157:159) binding NAD(+)
K205 (≠ S201) binding NAD(+)
CVYN 232:235 (≠ IVYA 226:229) binding NAD(+)
G255 (= G249) binding NAD(+)
Q262 (= Q256) mutation to A: 3-fold reduction in catalytic efficiency for both substrates.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

3tozA 2.2 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with NAD.
32% identity, 93% coverage: 2:264/283 of query aligns to 9:276/291 of 3tozA

query
sites
3tozA

I

I

T

T

G

G

K

H

A

T

R

E

V

L

A

I

G

G

V

L

I

I

G

A

W

T

P

P

V

I

G

R

H

H

S

S

R

L

S

S

P

P

R

T

L

M

H

H

G

N

F

E

W

A

L

F

A

A

R

K

H

L

G

G

I

L

D

D

G

Y

A

V

Y

Y

V

L

P

A

L

F

A

E

V

V

A

G

P

D

E

K

A

E

L

L

E

K

R

D

A

V

L

V

A

Q

A

G

L

F

P

R

A

A

L

M

G

N

L

L

A

R

G

G

V

W

N

N

V

V

T

S

V

M

P

P

H

N

K

K

E

T

H

N

A

I

L

H

A

K

R

Y

M

L

D

D

A

K

L

L

T

S

E

P

R

A

A

A

R

E

R

L

I

V

G

G

A

A

V

V

N

N

T

T

I

V

V

V

C

-

Q

N

S

D

D

D

G

G

R

V

L

L

L

T

G

G

D

H

N

I

T

T

D

D

G

G

F

T

G

G

F

Y

L

M

E

R

N

A

L

L

R

K

Q

E

R

-

P

-

D

-

W

-

R

-

A

A

G

G

H

H

G

D

-

I

-

G

-

K

P

K

A

M

V

T

V

I

L

C

G
|
G

A
|
A

G
|
G

A
|
A

A

A

R

T

A

A

V

I

C

C

A

I

S

Q

L

A

E

L

A

D

G

G

C

V

P

K

A

E

L

I

T

S

L

I

V

F

N
|
N

R
|
R

D

K

Q
x
D

-

D

-
x
F

-

Y

G

A

R

N

A

A

R

E

A

K

L

T

A

V

E

E

A

K

L

I

A

N

A

S

W

K

S

T

P

D

V

C

P

K

I

A

T

Q

L

L

A

F

T

D

W

I

D

E

E

D

A

H

P

E

-

Q

-

L

-

R

R

K

T

E

L

I

G

A

G

E

A

S

A

V

L

I

L

F

V

T

N

N

T

A

T
|
T

S
x
G

L
x
V

G

G

M
|
M

V

K

-

P

-
x
F

-

E

G

G

Q

E

-

T

-

L

P

P

P

S

L

A

D

D

L

M

D

-

L

-

R

-

G

-

L

L

A

R

P

P

S

E

A

L

L

I

V

V

T

S

D

D

I
x
V

V

V

Y
|
Y

A

K

P

P

L

T

E

K

T

T

P

R

L

L

A

E

R

I

A

A

R

E

A

E

L

Q

G

G

L

C

A

Q

T

T

V

L

D

N

G
|
G

L

L

G

G

M
|
M

L
x
M

L

L

H

W

Q

Q

G

G

R

A

P

K

G

A

F

F

E

E

A

I

W

W

binding nicotinamide-adenine-dinucleotide: G137 (= G133), A138 (= A134), G139 (= G135), G140 (= G136), A141 (= A137), N161 (= N157), R162 (= R158), D164 (≠ Q160), F166 (vs. gap), T210 (= T200), G211 (≠ S201), V212 (≠ L202), M214 (= M204), F217 (vs. gap), V238 (≠ I226), Y240 (= Y228), G261 (= G249), M264 (= M252), M265 (≠ L253)

Q8Y9N5 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)
32% identity, 93% coverage: 2:264/283 of query aligns to 9:276/291 of Q8Y9N5

query
sites
Q8Y9N5

I

I

T

T

G

G

K

H

A

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P

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H

S
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S

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S
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S

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P

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M

H

H

G

N

F

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A

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A

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A

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A

A

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G

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N

N

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K

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A

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A

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M

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A

A

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G

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A

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N

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C

-

Q

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S

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D

D

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G

G

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H

N

I

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T

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D

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G

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Y

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M

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A

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L

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R

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P

-

D

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W

-

R

-

A

A

G

G

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H

G

D

-

I

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G

-

K

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K

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M

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C

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G

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A

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G

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F

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N

R
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R

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x
K

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x
D

-

D

-

F

-

Y

G

A

R

N

A

A

R

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A

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E

A

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A

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C

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L

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E

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A

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-

Q

-

L

-

R

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K

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E

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A

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E

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S

A

V

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I

L

F

V

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N

N

T

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M
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M

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K

-

P

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F

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-

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-

L

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L

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D

-

L

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-

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Y

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K

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A

A

R

E

A

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G

G

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C

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Q

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T

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L

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N

G

G

L

L

G

G

M

M

L

M

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Q

Q

G

G

R

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K

G

A

F

F

E

E

A

I

W

W

SLS 26:28 (≠ SRS 19:21) binding shikimate
NRKD 161:164 (≠ NRDQ 157:160) binding NAD(+)
M214 (= M204) binding NADP(+)

3tnlA 1.45 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with shikimate and NAD.
32% identity, 93% coverage: 2:264/283 of query aligns to 6:273/288 of 3tnlA

query
sites
3tnlA

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G

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S

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S

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P

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A

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A

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A

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A

A

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L

L

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N
|
N

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x
S

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M

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K

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M

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A

A

A

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N

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T

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D

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G

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N

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D

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G

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A

G
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G

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A

A

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A

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C

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A

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L

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N

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R

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D

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D

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x
F

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A

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D

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Q

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L

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R

K

T

E

L

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A

G

E

A

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A

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L

I

L

F

V

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N

N

T

A

T
|
T

S

G

L
x
V

G

G

M
|
M

V

K

-

P

-
x
F

-

E

G

G

Q

E

-

T

-

L

P

P

P

S

L

A

D

D

L

M

D

-

L

-

R

-

G

-

L

L

A

R

P

P

S

E

A

L

L

I

V

V

T

S

D

D

I
x
V

V

V

Y
|
Y

A

K

P

P

L

T

E

K

T

T

P

R

L

L

A

E

R

I

A

A

R

E

A

E

L

Q

G

G

L

C

A

Q

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T

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L

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N

G

G

L

L

G

G

M
|
M

L
x
M

L

L

H

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Q
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Q

G

G

R

A

P

K

G

A

F

F

E

E

A

I

W

W

binding nicotinamide-adenine-dinucleotide: M71 (≠ V67), G134 (= G133), A135 (= A134), G136 (= G135), G137 (= G136), A138 (= A137), N158 (= N157), R159 (= R158), D161 (≠ Q160), F163 (vs. gap), T207 (= T200), V209 (≠ L202), M211 (= M204), F214 (vs. gap), V235 (≠ I226), Y237 (= Y228), M261 (= M252), M262 (≠ L253)
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 (= D107), Q265 (= Q256)

1o9bA Quinate/shikimate dehydrogenase ydib complexed with nadh (see paper)
35% identity, 92% coverage: 7:266/283 of query aligns to 2:266/280 of 1o9bA

query
sites
1o9bA

R

E

V

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A

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G

G

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L

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M

G

A

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Y

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P

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R

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H

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S

R

L

S

S

P

P

R

E

L

M

H

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G

N

F

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W

A

L

L

A

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R

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H

A

G

G

I

L

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P

G

F

A

T

Y

Y

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A

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A

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V

A

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A

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A

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A

A

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A

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P

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A

A

A

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G

G

A

A

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N

N

T

T

I

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C

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Q

N

S

D

D

D

G

G

R

Y

L

L

L

R

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G

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Y

N

N

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D

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N

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A

G

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L

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G

A
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A

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A
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A

A

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A

A

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A

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A

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G

G

C

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A

E

L

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K

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N

N

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x
R

R

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G
x
F

R

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A

D

R

K

A

A

L

L

A

A

E

F

A

A

L

Q

A

R

A

V

W

N

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N

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V