SitesBLAST

SLS 13:15 (≠ SRS 22:24) binding shikimate
T60 (= T71) binding shikimate
N85 (= N96) binding shikimate
D100 (= D111) binding shikimate
Y211 (= Y227) Plays a major role in the catalytic process and a minor role in the substrate binding; mutation to F: Leads to a 345-fold decrease in the catalytic efficiency and a 3-fold decrease in the affinity binding for shikimate.
Q239 (= Q255) binding shikimate

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
33% identity, 96% coverage: 11:283/285 of query aligns to 2:257/258 of 3dooA

query
sites
3dooA

K

K

A

F

F

A

V

V

T

I

G

G

F

N

P

P

I

I

K

S

H

H

S
|
S

R

L

S
|
S

P

P

L

L

I

M

H

H

G

H

Y

A

W

N

L

F

K

Q

T

S

L

L

G

N

L

L

L

E

G

N

S

T

Y

Y

R

E

A

A

H

I

E

N

V

V

T

P

P

V

E

N

A

Q

F

F

A

Q

D

D

F

I

I

K

H

K

S

I

L

I

K

S

D

E

G

K

S

S

S

-

G

-

F

I

T

D

G

G

G

F

N
|
N

V

V

T
|
T

I

I

P

P

H

H

K
|
K

E

E

L

R

A

I

F

I

R

P

L

Y

A

L

D

D

K

D

P

I

D

N

A

E

L

Q

S

A

Q

K

E

S

L

V

G

G

A

A

S

V

N
|
N

T

T

L

V

W

L

R

V

E

K

D

D

G

G

A

K

L

W

H

I

A

G

T

Y

N

N

T

T

D
|
D

G

G

R

I

G

G

F

Y

I

V

A

N

N

G

L

L

D

K

E

Q

R

I

H

Y

P

E

G

G

W

I

D

E

R

D

H

-

G

A

T

Y

A

I

V

L

V

I

F

L

G

G

A

A

G

G

A

A

S

S

R

K

A

G

I

I

I

A

Q

N

A

E

V

L

R

Y

D

K

R

I

G

V

F

R

K

P

E

T

I

L

H

T

V

V

V

A

N

N

R

R

T

T

V

M

E

S

R

R

A

F

R

N

E

N

L

W

A

S

D

L

R

N

F

I

G

N

P

K

R

I

V

N

Q

L

A

S

H

H

P

A

A

E

G

S

A

H

L

L

V

D

E

E

V

F

M

-

K

-

G

-

A

-

G

D

L

I

F

I

I

I

N

N

T

T

S

-

L

-

G

-

M

-

D

-

G

-

E

-

P

-

A

-

P

P

Q

V

L

I

D

S

F

L

S

N

P

R

L

L

A

A

A

S

D

H

A

T

V

L

V

V

T

S

D

D

I

I

V

V

Y

Y

V

N

P

P

L

Y

K

K

T

T

P

P

I

I

L

L

A

I

Q

E

A

A

E

E

E

Q

Q

R

G

G

F

N

P

P

I

I

V

Y

D

N

G

G

L

L

G

D

M

M

L
x
F

L

V

H

H

Q
|
Q

A

G

V

A

P

E

G

S

F

F

E

K

K

I

W

W

F

T

G

N

Q

L

R

E

P

P

I

D

V

I

D

K

A

A

P

-

L

M

R

K

A

N

L

I

I

V

I

I

A

Q

D

K

M

L

E

K

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S13 (= S22), S15 (= S24), N58 (= N69), T60 (= T71), K64 (= K75), N85 (= N96), D100 (= D111), F227 (≠ L252), Q230 (= Q255)

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)
32% identity, 93% coverage: 14:278/285 of query aligns to 11:277/282 of Q58484

query
sites
Q58484

V

L

T

I

G

G

F

H

P

P

I

V

K

E

H

H

S

S

R

F

S

S

P

P

L

I

I

M

H

H

G

N

Y

A

W

A

L

F

K

K

T

D

L

K

G

G

L

L

L

N

G

Y

S

V

Y

Y

R

V

A

A

H

F

E

D

V

V

T

L

P

P

E

E

A

N

F

L

A

K

D

Y

F

V

I

I

H

D

S

G

L

A

K

K

D

-

G

-

S

A

S

L

G

G

F

I

T

V

G

G

G

F

N

N

V

V

T

T

I

I

P

P

H

H

K

K

E

I

L

E

A

I

F

M

R

K

L

Y

A

L

D

D

K

E

P

I

D

D

A

K

L

D

S

A

Q

Q

E

L

L

I

G

G

A

A

S

V

N

N

T

T

L

I

W

K

R

I

E

E

D

D

G

G

A

K

L

A

H

I

A

G

T

Y

N

N

T

T

D

D

G

G

R

I

G

G

F

A

I

R

A

M

N

A

L

L

D

E

E

E

R

E

H

I

P

G

G

R

W

V

D

K

R

D

H

K

G

N

T

I

A

V

V

I

V

Y

F
x
G

G
x
A

A
x
G

G
|
G

G
x
A

A

A

S

R

R

A

A

V

I

A

I

F

Q

E

A

L

V

A

R

K

D

D

R

N

G

N

F

-

K

-

E

-

I

I

H

I

V

I

V

A

N
|
N

R
|
R

T
|
T

V
|
V

E
|
E

R
x
K

A

A

-

E

-

A

-

L

-

A

R

K

E

E

L

I

A

A

D

E

R

K

F

L

G

N

P

K

R

K

V

F

Q

G

A

E

H

E

P

V

A

K

G

F

A

S

L

G

V

L

E

D

V

V

-

D

M

L

K

D

G

G

A

V

G

D

L

I

F

I

I

I

N

N

T

A

T
|
T

S

P

L

I

G

G

M
|
M

D

-

G

-

E

-

P

-

A

Y

P

P

Q

N

L

I

D

D

F

V

S

E

P

P

L

I

A

V

A

K

-

A

-

E

-

K

-

L

-

R

-

E

D

D

A

M

V

V

T

M

D

D

I
x
L

V

I

Y

Y

V

N

P

P

L

L

K

E

T

T

P

V

I

L

L

L

A

K

Q

E

A

A

E

K

Q

V

G

N

F

A

P

K

I

T

V

I

D

N

G

G

L

L

G

G

M

M

L

L

L

I

H

Y

Q

Q

A

G

V

A

P

V

G

A

F

F

E

K

K

I

W

W

F

T

G

G

Q

V

R

E

P

P

I

N

V

I

D

E

A

V

P

M

L

K

R

N

A

A

L

I

I

I

GAGGA 130:134 (≠ FGAGG 135:139) binding NADP(+)
NRTVEK 152:157 (≠ NRTVER 160:165) binding NADP(+)
T196 (= T199) binding NADP(+)
M200 (= M203) binding NADP(+)
L224 (≠ I225) binding NADP(+)

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
32% identity, 93% coverage: 14:278/285 of query aligns to 16:282/287 of 1nvtB

query
sites
1nvtB

V

L

T

I

G

G

F

H

P

P

I

V

K
x
E

H
|
H

S

S

R

F

S

S

P

P

L

I

I

M

H

H

G

N

Y

A

W

A

L

F

K

K

T

D

L

K

G

G

L

L

L

N

G

Y

S

V

Y

Y

R

V

A

A

H

F

E

D

V

V

T

L

P

P

E

E

A

N

F

L

A

K

D

Y

F

V

I

I

H

D

S

G

L

A

K

K

D

-

G

-

S

A

S

L

G

G

F

I

T

V

G

G

G

F

N

N

V

V

T

T

I
|
I

P

P

H

H

K
|
K

E

I

L

E

A

I

F

M

R

K

L

Y

A

L

D

D

K

E

P

I

D

D

A

K

L

D

S

A

Q

Q

E

L

L

I

G

G

A

A

S

V

N

N

T

T

L

I

W

K

R

I

E

E

D

D

G

G

A

K

L

A

H

I

A

G

T

Y

N

N

T

T

D
|
D

G

G

R

I

G

G

F

A

I

R

A

M

N

A

L

L

D

E

E

E

R

E

H

I

P

G

G

R

W

V

D

K

R

D

H

K

G

N

T

I

A

V

V

I

V

Y

F
x
G

G

A

A
x
G

G
|
G

G
x
A

A

A

S

R

R

A

A

V

I

A

I

F

Q

E

A

L

V

A

R

K

D

D

R

N

G

N

F

-

K

-

E

-

I

I

H

I

V

I

V

A

N
|
N

R
|
R

T
|
T

V

V

E

E

R
x
K

A

A

-

E

-

A

-

L

-

A

R

K

E

E

L

I

A

A

D

E

R

K

F

L

G

N

P

K

R

K

V

F

Q

G

A

E

H

E

P

V

A

K

G

F

A

S

L

G

V

L

E

D

V

V

-

D

M

L

K

D

G

G

A

V

G

D

L

I

F

I

I

I

N

N

T
x
A

T
|
T

S
x
P

L
x
I

G

G

M
|
M

D

-

G

-

E

-

P

-

A

Y

P

P

Q

N

L

I

D

D

F

V

S

E

P

P

L

I

A

V

A

K

-

A

-

E

-

K

-

L

-

R

-

E

D

D

A

M

V

V

T

M

D

D

I
x
L

V

I

Y
|
Y

V

N

P

P

L

L

K

E

T

T

P

V

I

L

L

L

A

K

Q

E

A

A

E

K

Q

V

G

N

F

A

P

K

I

T

V

I

D

N

G

G

L

L

G

G

M
|
M

L
|
L

L

I

H

Y

Q

Q

A

G

V

A

P

V

G

A

F

F

E

K

K

I

W

W

F

T

G

G

Q

V

R

E

P

P

I

N

V

I

D

E

A

V

P

M

L

K

R

N

A

A

L

I

I

I

active site: K75 (= K75), D111 (= D111)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I72 (= I72), G135 (≠ F135), G137 (≠ A137), G138 (= G138), A139 (≠ G139), N157 (= N160), R158 (= R161), T159 (= T162), K162 (≠ R165), A200 (≠ T198), T201 (= T199), P202 (≠ S200), I203 (≠ L201), M205 (= M203), L229 (≠ I225), Y231 (= Y227), M255 (= M251), L256 (= L252)
binding zinc ion: E22 (≠ K20), H23 (= H21)

1nvtA Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
32% identity, 93% coverage: 14:278/285 of query aligns to 16:282/287 of 1nvtA

query
sites
1nvtA

V

L

T

I

G

G

F

H

P

P

I

V

K

E

H

H

S

S

R

F

S

S

P

P

L

I

I

M

H

H

G

N

Y

A

W

A

L

F

K

K

T

D

L

K

G

G

L

L

L

N

G

Y

S

V

Y

Y

R

V

A

A

H

F

E

D

V

V

T

L

P

P

E

E

A

N

F

L

A

K

D

Y

F

V

I

I

H

D

S

G

L

A

K

K

D

-

G

-

S

A

S

L

G

G

F

I

T

V

G

G

G

F

N

N

V

V

T

T

I

I

P

P

H

H

K
|
K

E

I

L

E

A

I

F

M

R

K

L

Y

A

L

D

D

K

E

P

I

D

D

A

K

L

D

S

A

Q

Q

E

L

L

I

G

G

A

A

S

V

N

N

T

T

L

I

W

K

R

I

E

E

D

D

G

G

A

K

L

A

H

I

A

G

T

Y

N

N

T

T

D
|
D

G

G

R

I

G

G

F

A

I

R

A

M

N

A

L

L

D

E

E

E

R

E

H

I

P

G

G

R

W

V

D

K

R

D

H

K

G

N

T

I

A

V

V

I

V

Y

F
x
G

G

A

A

G

G

G

G
x
A

A

A

S

R

R

A

A

V

I

A

I

F

Q

E

A

L

V

A

R

K

D

D

R

N

G

N

F

-

K

-

E

-

I

I

H

I

V

I

V

A

N
|
N

R
|
R

T
|
T

V

V

E

E

R
x
K

A

A

-

E

-

A

-

L

-

A

R

K

E

E

L

I

A

A

D

E

R

K

F

L

G

N

P

K

R

K

V

F

Q

G

A

E

H

E

P

V

A

K

G

F

A

S

L

G

V

L

E

D

V

V

-

D

M

L

K

D

G

G

A

V

G

D

L

I

F

I

I

I

N

N

T
x
A

T
|
T

S
x
P

L
x
I

G

G

M
|
M

D

-

G

-

E

-

P

-

A

Y

P

P

Q

N

L

I

D

D

F

V

S

E

P

P

L

I

A

V

A

K

-

A

-

E

-

K

-

L

-

R

-

E

D

D

A

M

V

V

T

M

D

D

I
x
L

V

I

Y
|
Y

V

N

P

P

L

L

K

E

T

T

P

V

I

L

L

L

A

K

Q

E

A

A

E

K

Q

V

G

N

F

A

P

K

I

T

V

I

D

N

G
|
G

L

L

G

G

M
|
M

L
|
L

L

I

H

Y

Q

Q

A

G

V

A

P

V

G

A

F

F

E

K

K

I

W

W

F

T

G

G

Q

V

R

E

P

P

I

N

V

I

D

E

A

V

P

M

L

K

R

N

A

A

L

I

I

I

active site: K75 (= K75), D111 (= D111)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G135 (≠ F135), A139 (≠ G139), N157 (= N160), R158 (= R161), T159 (= T162), K162 (≠ R165), A200 (≠ T198), T201 (= T199), P202 (≠ S200), I203 (≠ L201), M205 (= M203), L229 (≠ I225), Y231 (= Y227), G252 (= G248), M255 (= M251), L256 (= L252)

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, 92% coverage: 14:275/285 of query aligns to 12:278/288 of 1npdB

query
sites
1npdB

V

L

T

M

G

A

F

Y

P

P

I

I

K

R

H

H

S

S

R

L

S

S

P

P

L

E

I

M

H

Q

G

N

Y

K

W

A

L

L

K

E

T

K

L

A

G

G

L

L

L

P

G

F

S

T

Y

Y

R

M

A

A

H

F

E

E

V

V

T

D

P

N

E

D

A

S

F

F

A

P

D

G

F

A

I

I

H

E

S

G

L

L

K

K

D

-

G

-

S

A

S

L

G

K

F

M

T

R

G

G

G

T

N

G

V

V

T

S

I

M

P

P

H

N

K

K

E

Q

L

L

A

A

F

C

R

E

L

Y

A

V

D

D

K

E

P

L

D

T

A

P

L

A

S

A

Q

K

E

L

L

V

G

G

A

A

S

I

N

N

T

T

L

I

W

V

R

N

E

D

D

D

G

G

A

Y

L

L

H

R

A

G

T

Y

N

N

T

T

D

D

G

G

R

T

G

G

F

H

I

I

A

R

N

A

L

I

D

K

E

E

R

-

H

-

P

S

G

G

W

F

D

D

R

I

H

K

G

G

-

K

T

T

A

M

V

V

V

L

F

L

G

G

A
|
A

G
|
G

A
|
A

S

S

R

T

A

A

I

I

I

G

Q

A

A

Q

V

G

R

A

D

I

R

E

G

G

F

L

K

K

E

E

I

I

H

K

V

L

V

F

N
|
N

R
|
R

T

R

V
x
D

E

E

-
x
F

-

F

-

D

-

K

-

A

-

L

-

A

-

F

-

A

-

Q

R

R

A

V

R

N

E

E

L

N

A

T

D

D

R

C

F

V

G

V

P

T

R

V

V

T

Q

D

A

L

H

A

P

D

A

Q

G

Q

A

A

L

F

V

A

E

E

V

A

M

L

K

A

G

S

A

A

G

D

L

I

F

L

I

T

N

N

T

G

T
|
T

S
x
K

L
x
V

G

G

M
|
M

D

K

G

P

E

L

P

E

A

N

P

E

Q

S

L

L

-

V

-

N

D

D

F

I

S

S

P

L

L

L

A

H

A

P

D

G

A

L

V

L

V

V

T

T

D

E

I
x
C

V

V

Y

Y

V

N

P

P

L

H

K

M

T

T

P

K

I

L

L

L

A

Q

Q

Q

A

A

E

Q

Q

A

G

G

F

C

P

K

I

T

V

I

D

D

G

G

L

Y

G

G

M
|
M

L
|
L

L

L

H

W

Q

Q

A

G

V

A

P

E

G

Q

F

F

E

T

K

L

W

W

F

T

G

G

Q

K

R

-

P

-

I

-

V

-

D

D

A

F

P

P

L

L

R

E

binding nicotinamide-adenine-dinucleotide: A132 (= A137), G133 (= G138), G134 (= G139), A135 (= A140), N155 (= N160), R156 (= R161), D158 (≠ V163), F160 (vs. gap), T204 (= T199), K205 (≠ S200), V206 (≠ L201), M208 (= M203), C232 (≠ I225), M258 (= M251), L259 (= L252)

P0A6D5 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Escherichia coli (strain K12) (see 4 papers)
35% identity, 92% coverage: 14:275/285 of query aligns to 12:278/288 of P0A6D5

query
sites
P0A6D5

V

L

T

M

G

A

F

Y

P

P

I

I

K

R

H

H

S

S

R

L

S
|
S

P

P

L

E

I

M

H

Q

G

N

Y

K

W

A

L

L

K

E

T

K

L

A

G

G

L

L

L

P

G

F

S

T

Y
|
Y

R

M

A

A

H

F

E

E

V

V

T

D

P

N

E

D

A

S

F

F

A

P

D

G

F

A

I

I

H

E

S

G

L

L

K

K

D

-

G

-

S

A

S

L

G

K

F

M

T

R

G

G

G

T

N

G

V

V

T
x
S

I

M

P

P

H

N

K
|
K

E

Q

L

L

A

A

F

C

R

E

L

Y

A

V

D

D

K

E

P

L

D

T

A

P

L

A

S

A

Q

K

E

L

L

V

G

G

A

A

S

I

N
|
N

T

T

L

I

W

V

R

N

E

D

D

D

G

G

A

Y

L

L

H

R

A

G

T

Y

N

N

T
|
T

D
|
D

G

G

R

T

G

G

F

H

I

I

A

R

N

A

L

I

D

K

E

E

R

-

H

-

P

S

G

G

W

F

D

D

R

I

H

K

G

G

-

K

T

T

A

M

V

V

V

L

F

L

G

G

A
|
A

G
|
G

A
|
A

S

S

R

T

A

A

I

I

I

G

Q

A

A

Q

V

G

R

A

D

I

R

E

G

G

F

L

K

K

E

E

I

I

H

K

V

L

V

F

N
|
N

R
|
R

T
x
R

V
x
D

E

E

-

F

-

D

-

K

-

A

-

L

-

A

-

F

-

A

-

Q

R

R

A

V

R

N

E

E

L

N

A

T

D

D

R

C

F

V

G

V

P

T

R

V

V

T

Q

D

A

L

H

A

P

D

A

Q

G

Q

A

A

L

F

V

A

E

E

V

A

M

L

K

A

G

S

A

A

G

D

L

I

F

L

I

T

N

N

T

G

T

T

S
x
K

L

V

G

G

M

M

D

K

G

P

E

L

P

E

A

N

P

E

Q

S

L

L

-

V

-

N

D

D

F

I

S

S

P

L

L

L

A

H

A

P

D

G

A

L

V

L

V

V

T

T

D

E

I
x
C

V
|
V

Y
|
Y

V
x
N

P

P

L

H

K

M

T

T

P

K

I

L

L

L

A

Q

Q

Q

A

A

E

Q

Q

A

G

G

F

C

P

K

I

T

V

I

D

D

G
|
G

L

Y

G

G

M

M

L

L

H

W

Q
|
Q

A

G

V

A

P

E

G

Q

F

F

E

T

K

L

W

W

F

T

G

G

Q

K

R

-

P

-

I

-

V

-

D

D

A

F

P

P

L

L

R

E

S22 (= S24) mutation to A: Kinetically unchanged as compared with the wild-type.
Y39 (= Y41) mutation to F: Kinetically unchanged as compared with the wild-type.
S67 (≠ T71) mutation to A: Reduces activity towards quinate about 6-fold, but has a little effect on shikimate conversion.
K71 (= K75) 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 (= N96) mutation to A: Alters protein structure. Loss of activity for both substrates.
T106 (= T110) 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 (= D111) mutation to A: Loss of activity towards quinate. 20000-fold decrease in the affinity for shikimate.
AGGA 132:135 (= AGGA 137:140) binding NAD(+)
NRRD 155:158 (≠ NRTV 160:163) binding NAD(+)
K205 (≠ S200) binding NAD(+)
CVYN 232:235 (≠ IVYV 225:228) binding NAD(+)
G255 (= G248) binding NAD(+)
Q262 (= Q255) mutation to A: 3-fold reduction in catalytic efficiency for both substrates.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

1o9bA Quinate/shikimate dehydrogenase ydib complexed with nadh (see paper)
35% identity, 92% coverage: 14:275/285 of query aligns to 6:272/280 of 1o9bA

query
sites
1o9bA

V

L

T

M

G

A

F

Y

P

P

I

I

K

R

H

H

S

S

R

L

S

S

P

P

L

E

I

M

H

Q

G

N

Y

K

W

A

L

L

K

E

T

K

L

A

G

G

L

L

L

P

G

F

S

T

Y

Y

R

M

A

A

H

F

E

E

V

V

T

D

P

N

E

D

A

S

F

F

A

P

D

G

F

A

I

I

H

E

S

G

L

L

K

K

D

-

G

-

S

A

S

L

G

K

F

M

T

R

G

G

G

T

N

G

V

V

T

S

I

M

P

P

H

N

K

K

E

Q

L

L

A

A

F

C

R

E

L

Y

A

V

D

D

K

E

P

L

D

T

A

P

L

A

S

A

Q

K

E

L

L

V

G

G

A

A

S

I

N

N

T

T

L

I

W

V

R

N

E

D

D

D

G

G

A

Y

L

L

H

R

A

G

T

Y

N

N

T

T

D

D

G

G

R

T

G

G

F

H

I

I

A

R

N

A

L

I

D

K

E

E

R

-

H

-

P

S

G

G

W

F

D

D

R

I

H

K

G

G

-

K

T

T

A

M

V

V

V

L

F

L

G

G

A
|
A

G
|
G

A
|
A

S

S

R

T

A

A

I

I

I

G

Q

A

A

Q

V

G

R

A

D

I

R

E

G

G

F

L

K

K

E

E

I

I

H

K

V

L

V

F

N

N

R
|
R

T

R

V

D

E

E

-
x
F

-

F

-

D

-

K

-

A

-

L

-

A

-

F

-

A

-

Q

R

R

A

V

R

N

E

E

L

N

A

T

D

D

R

C

F

V

G

V

P

T

R

V

V

T

Q

D

A

L

H

A

P

D

A

Q

G

Q

A

A

L

F

V

A

E

E

V

A

M

L

K

A

G

S

A

A

G

D

L

I

F

L

I

T

N

N

T

G

T

T

S
x
K

L
x
V

G

G

M
|
M

D

K

G

P

E

L

P

E

A

N

P

E

Q

S

L

L

-

V

-

N

D

D

F

I

S

S

P

L

L

L

A

H

A

P

D

G

A

L

V

L

V

V

T

T

D

E

I
x
C

V

V

Y
|
Y

V

N

P

P

L

H

K

M

T

T

P

K

I

L

L

L

A

Q

Q

Q

A

A

E

Q

Q

A

G

G

F

C

P

K

I

T

V

I

D

D

G

G

L

Y

G

G

M
|
M

L
|
L

L

L

H

W

Q

Q

A

G

V

A

P

E

G

Q

F

F

E

T

K

L

W

W

F

T

G

G

Q

K

R

-

P

-

I

-

V

-

D

D

A

F

P

P

L

L

R

E

binding 1,4-dihydronicotinamide adenine dinucleotide: A126 (= A137), G127 (= G138), G128 (= G139), A129 (= A140), R150 (= R161), F154 (vs. gap), K199 (≠ S200), V200 (≠ L201), M202 (= M203), C226 (≠ I225), Y228 (= Y227), M252 (= M251), L253 (= L252)

Q9KVT3 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
33% identity, 93% coverage: 14:277/285 of query aligns to 10:270/278 of Q9KVT3

query
sites
Q9KVT3

V

V

T

F

G

G

F

N

P

P

I

I

K

N

H

H

S
|
S

R
x
K

S
|
S

P

P

L

F

I

I

H

H

G

T

Y

L

W

F

L

A

K

R

T

Q

L

T

G

Q

L

Q

L

S

G

M

S

I

Y

Y

R

T

A

A

H

Q

E

C

V

V

T

P

P

V

E

D

A

G

F

F

A

T

D

E

F

A

I

A

H

K

S

H

L

F

K

F

D

-

G

-

S

A

S

Q

G

G

F

G

T

R

G

G

G

C

N

N

V

V

T

T

I

V

P

P

H

F

K

K

E

E

L

E

A

A

F

Y

R

R

L

F

A

A

D

D

K

R

P

L

D

T

A

E

L

R

S

A

Q

R

E

L

L

A

G

G

A

A

S

V

N
|
N

T

T

L

L

W

K

R

K

-

L

E

D

D

D

G

G

A

E

L

I

H

L

A

G

T

D

N

N

T

T

D
|
D

G

G

R

E

G

G

F

L

I

V

A

Q

N

D

L

L

D

L

E

A

R

Q

H

Q

P

V

G

-

W

L

D

L

R

K

H

G

G

A

T

T

A

I

V

L

F

I

G

G

A

A

G

G

A

A

S

A

R

R

A

G

I

V

I

L

Q

K

A

P

V

L

R

L

D

D

R

Q

G

Q

F

P

K

A

E

S

I

I

H

T

V

V

V

T

N
|
N

R
|
R

T
|
T

V
x
F

E
x
A

R
x
K

A

A

R

E

E

Q

L

L

A

A

D

E

R

L

F

V

G

A

P

A

R

Y

V

G

Q

E

A

V

H

K

P

-

A

A

G

Q

A

A

L

F

V

E

E

Q

V

L

M

K

K

Q

G

S

A

Y

G

D

L

V

F

I

I

I

N

N

T

S

T

T

S

S

L

A

G

S

M

L

D

D

G

G

E

E

P

-

A

L

P

P

Q

A

L

I

D

D

F

P

S

V

P

I

L

F

A

S

D

R

A

S

V

V

V

C

T

Y

D

D

I

M

V

M

Y

Y

V

G

P

K

L

G

K

Y

T

T

P

V

I

F

L

N

A

Q

Q

W

A

A

E

R

E

Q

Q

H

G

G

F

C

P

A

-

Q

I

A

V

I

D

D

G

G

L

L

G

G

M

M

L

L

L

V

H

G

Q
|
Q

A

A

V

A

P

E

G

S

F

F

E

M

K

L

W

W

F

R

G

G

Q

L

R

R

P

P

I

G

V

T

D

K

A

Q

P

I

L

L

R

R

A

E

L

L

SKS 18:20 (≠ SRS 22:24) binding shikimate
N90 (= N96) binding shikimate
D106 (= D111) binding shikimate
NRTFAK 154:159 (≠ NRTVER 160:165) binding NADP(+)
Q248 (= Q255) binding shikimate

3pgjA 2.49 angstrom resolution crystal structure of shikimate 5- dehydrogenase (aroe) from vibrio cholerae o1 biovar eltor str. N16961 in complex with shikimate
33% identity, 93% coverage: 14:277/285 of query aligns to 6:266/272 of 3pgjA

query
sites
3pgjA

V

V

T

F

G

G

F

N

P

P

I

I

K

N

H

H

S
|
S

R

K

S
|
S

P

P

L

F

I

I

H

H

G

T

Y

L

W

F

L

A

K

R

T

Q

L

T

G

Q

L

Q

L

S

G

M

S

I

Y

Y

R

T

A

A

H

Q

E

C

V

V

T

P

P

V

E

D

A

G

F

F

A

T

D

E

F

A

I

A

H

K

S

H

L

F

K

F

D

-

G

-

S

A

S

Q

G

G

F

G

T

R

G

G

G

C

N
|
N

V

V

T
|
T

I

V

P

P

H

F

K
|
K

E

E

L

E

A

A

F

Y

R

R

L

F

A

A

D

D

K

R

P

L

D

T

A

E

L

R

S

A

Q

R

E

L

L

A

G

G

A

A

S

V

N
|
N

T

T

L

L

W

K

R

K

-

L

E

D

D

D

G

G

A

E

L

I

H

L

A

G

T

D

N

N

T

T

D
|
D

G

G

R

E

G

G

F

L

I

V

A

Q

N

D

L

L

D

L

E

A

R

Q

H

Q

P

V

G

-

W

L

D

L

R

K

H

G

G

A

T

T

A

I

V

L

F

I

G

G

A

A

G

G

A

A

S

A

R

R

A

G

I

V

I

L

Q

K

A

P

V

L

R

L

D

D

R

Q

G

Q

F

P

K

A

E

S

I

I

H

T

V

V

V

T

N

N

R

R

T

T

V

F

E

A

R

K

A

A

R

E

E

Q

L

L

A

A

D

E

R

L

F

V

G

A

P

A

R

Y

V

G

Q

E

A

V

H

K

P

-

A

A

G

Q

A

A

L

F

V

E

E

Q

V

L

M

K

K

Q

G

S

A

Y

G

D

L

V

F

I

I

I

N

N

T

S

T

T

S

S

L

A

G

S

M

L

D

D

G

G

E

E

P

-

A

L

P

P

Q

A

L

I

D

D

F

P

S

V

P

I

L

F

A

S

D

R

A

S

V

V

V

C

T

Y

D

D

I

M

V

M

Y

Y

V

G

P

K

L

G

K

Y

T

T

P

V

I

F

L

N

A

Q

Q

W

A

A

E

R

E

Q

Q

H

G

G

F

C

P

A

-

Q

I

A

V

I

D

D

G

G

L

L

G

G

M

M

L

L

L

V

H

G

Q
|
Q

A

A

V

A

P

E

G

S

F

F

E

M

K

L

W

W

F

R

G

G

Q

L

R

R

P

P

I

G

V

T

D

K

A

Q

P

I

L

L

R

R

A

E

L

L

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S22), S16 (= S24), N59 (= N69), T61 (= T71), K65 (= K75), N86 (= N96), D102 (= D111), Q244 (= Q255)

3tozA 2.2 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with NAD.
35% identity, 89% coverage: 18:271/285 of query aligns to 22:284/291 of 3tozA

query
sites
3tozA

P

P

I

I

K

R

H

H

S

S

R

L

S

S

P

P

L

T

I

M

H

H

G

N

Y

E

W

A

L

F

K

A

T

K

L

L

G

G

L

L

L

D

G

Y

S

V

Y

Y

R

L

A

A

H

F

E

E

V

V

T

G

P

D

E

K

A

E

F

L

A

K

D

D

F

V

I

V

H

Q

S

G

L

F

K

R

D

-

G

-

S

A

S

M

G

N

F

L

T

R

G

G

G

W

N

N

V

V

T

S

I

M

P

P

H

N

K

K

E

T

L

N

A

I

F

H

R

K

L

Y

A

L

D

D

K

K

P

L

D

S

A

P

L

A

S

A

Q

E

E

L

L

V

G

G

A

A

S

V

N

N

T

T

L

V

W

V

R

N

E

D

D

D

G

G

A

V

L

L

H

T

A

G

T

H

N

I

T

T

D

D

G

G

R

T

G

G

F

Y

I

M

A

R

N

A

L

L

D

K

E

E

R

-

H

-

P

A

G

G

W

H

D

D

R

I

H

I

G

G

T

K

A

K

V

M

-

T

V

I

F

C

G
|
G

A
|
A

G
|
G

A
|
A

S

A

R

T

A

A

I

I

-

C

I

I

Q

Q

A

A

V

A

R

L

D

D

R

-

G

G

F

V

K

K

E

E

I

I

H

S

V

I

V

F

N
|
N

R
|
R

-

K

-
x
D

-

D

-
x
F

-

Y

-

A

-

N

-

A

-

E

-

K

T

T

V

V

E

E

R

K

A

I

R

N

E

S

L

K

A

T

D

D

R

C

F

K

G

A

P

Q

R

L

V

F

Q

D

A

I

H

E

P

D

A

H

G

E

A

Q

L

L

V

R

E

K

V

E

M

I

K

A

G

E

A

S

G

V

L

I

F

F

I

T

N

N

T

A

T
|
T

S
x
G

L
x
V

G

G

M
|
M

-

K

-

P

-
x
F

D

E

G

G

E

E

P

T

A

L

-

L

P

P

Q

S

L

A

D

D

F

M

S

-

P

-

L

L

A

R

A

P

D

E

A

L

V

I

V

V

T

S

D

D

I
x
V

V

V

Y
|
Y

V

K

P

P

L

T

K

K

T

T

P

R

I

L

L

L

A

E

Q

I

A

A

E

E

Q

Q

G

G

F

C

P

Q

I

T

V

L

D

N

G
|
G

L

L

G

G

M
|
M

L
x
M

L

L

H

W

Q

Q

A

G

V

A

P

K

G

A

F

F

E

E

K

I

W

W

F

T

G

H

Q

K

R

E

P

M

I

P

V

V

D

D

binding nicotinamide-adenine-dinucleotide: G137 (= G136), A138 (= A137), G139 (= G138), G140 (= G139), A141 (= A140), N161 (= N160), R162 (= R161), D164 (vs. gap), F166 (vs. gap), T210 (= T199), G211 (≠ S200), V212 (≠ L201), M214 (= M203), F217 (vs. gap), V238 (≠ I225), Y240 (= Y227), G261 (= G248), M264 (= M251), M265 (≠ L252)

Q8Y9N5 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)
35% identity, 89% coverage: 18:271/285 of query aligns to 22:284/291 of Q8Y9N5

query
sites
Q8Y9N5

P

P

I

I

K

R

H

H

S
|
S

R
x
L

S
|
S

P

P

L

T

I

M

H

H

G

N

Y

E

W

A

L

F

K

A

T

K

L

L

G

G

L

L

L

D

G

Y

S

V

Y

Y

R

L

A

A

H

F

E

E

V

V

T

G

P

D

E

K

A

E

F

L

A

K

D

D

F

V

I

V

H

Q

S

G

L

F

K

R

D

-

G

-

S

A

S

M

G

N

F

L

T

R

G

G

G

W

N

N

V

V

T

S

I

M

P

P

H

N

K

K

E

T

L

N

A

I

F

H

R

K

L

Y

A

L

D

D

K

K

P

L

D

S

A

P

L

A

S

A

Q

E

E

L

L

V

G

G

A

A

S

V

N

N

T

T

L

V

W

V

R

N

E

D

D

D

G

G

A

V

L

L

H

T

A

G

T

H

N

I

T

T

D

D

G

G

R

T

G

G

F

Y

I

M

A

R

N

A

L

L

D

K

E

E

R

-

H

-

P

A

G

G

W

H

D

D

R

I

H

I

G

G

T

K

A

K

V

M

-

T

V

I

F

C

G

G

A

A

G

G

A

A

S

A

R

T

A

A

I

I

-

C

I

I

Q

Q

A

A

V

A

R

L

D

D

R

-

G

G

F

V

K

K

E

E

I

I

H

S

V

I

V

F

N
|
N

R
|
R

-
x
K

-
x
D

-

D

-

F

-

Y

-

A

-

N

-

A

-

E

-

K

T

T

V

V

E

E

R

K

A

I

R

N

E

S

L

K

A

T

D

D

R

C

F

K

G

A

P

Q

R

L

V

F

Q

D

A

I

H

E

P

D

A

H

G

E

A

Q

L

L

V

R

E

K

V

E

M

I

K

A

G

E

A

S

G

V

L

I

F

F

I

T

N

N

T

A

T

T

S

G

L

V

G

G

M
|
M

-

K

-

P

-

F

D

E

G

G

E

E

P

T

A

L

-

L

P

P

Q

S

L

A

D

D

F

M

S

-

P

-

L

L

A

R

A

P

D

E

A

L

V

I

V

V

T

S

D

D

I

V

V

V

Y

Y

V

K

P

P

L

T

K

K

T

T

P

R

I

L

L

L

A

E

Q

I

A

A

E

E

Q

Q

G

G

F

C

P

Q

I

T

V

L

D

N

G

G

L

L

G

G

M

M

L

M

L

L

H

W

Q

Q

A

G

V

A

P

K

G

A

F

F

E

E

K

I

W

W

F

T

G

H

Q

K

R

E

P

M

I

P

V

V

D

D

SLS 26:28 (≠ SRS 22:24) binding shikimate
NRKD 161:164 (≠ NR-- 160:161) binding NAD(+)
M214 (= M203) binding NADP(+)

3tnlA 1.45 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with shikimate and NAD.
35% identity, 89% coverage: 18:271/285 of query aligns to 19:281/288 of 3tnlA

query
sites
3tnlA

P

P

I

I

K

R

H

H

S
|
S

R

L

S
|
S

P

P

L

T

I

M

H

H

G

N

Y

E

W

A

L

F

K

A

T

K

L

L

G

G

L

L

L

D

G

Y

S

V

Y

Y

R

L

A

A

H

F

E

E

V

V

T

G

P

D

E

K

A

E

F

L

A

K

D

D

F

V

I

V

H

Q

S

G

L

F

K

R

D

-

G

-

S

A

S

M

G

N

F

L

T

R

G

G

G

W

N
|
N

V

V

T
x
S

I
x
M

P

P

H

N

K
|
K

E

T

L

N

A

I

F

H

R

K

L

Y

A

L

D

D

K

K

P

L

D

S

A

P

L

A

S

A

Q

E

E

L

L

V

G

G

A

A

S

V

N
|
N

T

T

L

V

W

V

R

N

E

D

D

D

G

G

A

V

L

L

H

T

A

G

T

H

N

I

T

T

D
|
D

G

G

R

T

G

G

F

Y

I

M

A

R

N

A

L

L

D

K

E

E

R

-

H

-

P

A

G

G

W

H

D

D

R

I

H

I

G

G

T

K

A

K

V

M

-

T

V

I

F

C

G
|
G

A
|
A

G
|
G

A
|
A

S

A

R

T

A

A

I

I

-

C

I

I

Q

Q

A

A

V

A

R

L

D

D

R

-

G

G

F

V

K

K

E

E

I

I

H

S

V

I

V

F

N
|
N

R
|
R

-

K

-
x
D

-

D

-
x
F

-

Y

-

A

-

N

-

A

-

E

-

K

T

T

V

V

E

E

R

K

A

I

R

N

E

S

L

K

A

T

D

D

R

C

F

K

G

A

P

Q

R

L

V

F

Q

D

A

I

H

E

P

D

A

H

G

E

A

Q

L

L

V

R

E

K

V

E

M

I

K

A

G

E

A

S

G

V

L

I

F

F

I

T

N

N

T

A

T
|
T

S

G

L
x
V

G

G

M
|
M

-

K

-

P

-
x
F

D

E

G

G

E

E

P

T

A

L

-

L

P

P

Q

S

L

A

D

D

F

M

S

-

P

-

L

L

A

R

A

P

D

E

A

L

V

I

V

V

T

S

D

D

I
x
V

V

V

Y
|
Y

V

K

P

P

L

T

K

K

T

T

P

R

I

L

L

L

A

E

Q

I

A

A

E

E

Q

Q

G

G

F

C

P

Q

I

T

V

L

D

N

G

G

L

L

G

G

M
|
M

L
x
M

L

L

H

W

Q
|
Q

A

G

V

A

P

K

G

A

F

F

E

E

K

I

W

W

F

T

G

H

Q

K

R

E

P

M

I

P

V

V

D

D

binding nicotinamide-adenine-dinucleotide: M71 (≠ I72), G134 (= G136), A135 (= A137), G136 (= G138), G137 (= G139), A138 (= A140), N158 (= N160), R159 (= R161), D161 (vs. gap), F163 (vs. gap), T207 (= T199), V209 (≠ L201), M211 (= M203), F214 (vs. gap), V235 (≠ I225), Y237 (= Y227), M261 (= M251), M262 (≠ L252)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S23 (= S22), S25 (= S24), N68 (= N69), S70 (≠ T71), K74 (= K75), N95 (= N96), D110 (= D111),