SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing H281DRAFT_06291 FitnessBrowser__Burk376:H281DRAFT_06291 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)

Q9KVT3 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
51% identity, 95% coverage: 8:281/287 of query aligns to 6:274/278 of Q9KVT3

query
sites
Q9KVT3

D

D

R

Q

Y

Y

A

A

V

V

I

F

G

G

N

N

P

P

V

I

G

N

H

H

S
|
S

K
|
K

S
|
S

P

P

F

F

I

I

H

H

S

T

R

L

F

F

A

A

A

R

Q

Q

T

T

G

Q

E

Q

P

S

V

M

E

I

Y

Y

S

T

A

A

L

Q

L

C

A

V

P

P

V

V

D

D

A

G

F

F

V

T

P

E

H

A

V

A

R

K

A

H

F

F

I

F

E

A

A

Q

G

G

R

R

G

G

L

C

N

N

V

V

T

T

V

V

P

P

F

F

K

K

L

E

D

E

A

A

H

Y

A

R

F

F

A

A

S

D

S

R

L

L

S

T

P

E

R

R

A

A

A

R

A

L

A

A

G

G

A

A

V

V

N
|
N

T

T

L

L

-

K

R

K

I

L

D

D

P

D

N

G

G

E

V

I

Y

L

G

G

D

D

N

N

T

T

D
|
D

G

G

F

E

G

G

L

L

V

V

R

Q

D

D

I

L

E

-

V

L

N

A

L

Q

G

Q

V

V

S

L

L

L

K

K

G

G

A

A

R

T

I

I

L

L

L

I

G

G

A

A

G

G

A

A

R

R

G

G

V

V

V

L

L

K

P

P

M

L

L

L

E

D

R

Q

A

Q

P

P

H

A

T

S

L

I

T

T

I

V

V

T

N
|
N

R
|
R

T
|
T

A
x
F

A
|
A

K
|
K

A

A

E

E

A

Q

L

L

V

A

D

E

Q

L

F

V

A

-

Q

-

A

A

S

Y

G

G

V

E

A

V

C

-

R

-

L

-

S

-

G

-

N

K

A

A

R

Q

A

A

I

F

E

E

-

Q

-

L

P

K

G

Q

A

S

Y

Y

D

D

V

V

I

I

V

I

N

N

A

S

T

T

A

S

G

A

S

S

L

L

E

D

A

G

S

E

L

L

P

P

E

A

C

I

D

D

D

P

G

V

A

I

F

F

G

S

N

S

G

R

T

S

L

V

A

C

Y

Y

D

D

M

M

Y

Y

G

G

A

K

H

G

P

Y

T

T

V

V

F

F

M

N

E

Q

H

W

A

A

Q

R

K

Q

L

H

G

G

-

C

A

A

R

Q

G

A

A

I

D

D

G

G

L

L

G

G

M

M

L

L

V

V

E

G

Q
|
Q

A

A

E

E

S

S

F

F

Y

M

V

L

W

W

R

R

G

G

V

L

R

R

P

P

D

G

S

T

V

K

P

Q

V

I

L

L

A

R

E

E

L

L

R

R

A

K

L

N

L

L

SKS 18:20 (= SKS 20:22) binding shikimate
N90 (= N92) binding shikimate
D106 (= D107) binding shikimate
NRTFAK 154:159 (≠ NRTAAK 156:161) 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
51% identity, 95% coverage: 8:281/287 of query aligns to 2:270/272 of 3pgjA

query
sites
3pgjA

D

D

R

Q

Y

Y

A

A

V

V

I

F

G

G

N

N

P

P

V

I

G

N

H

H

S
|
S

K

K

S
|
S

P

P

F

F

I

I

H

H

S

T

R

L

F

F

A

A

A

R

Q

Q

T

T

G

Q

E

Q

P

S

V

M

E

I

Y

Y

S

T

A

A

L

Q

L

C

A

V

P

P

V

V

D

D

A

G

F

F

V

T

P

E

H

A

V

A

R

K

A

H

F

F

I

F

E

A

A

Q

G

G

R

R

G

G

L

C

N
|
N

V

V

T
|
T

V

V

P

P

F

F

K
|
K

L

E

D

E

A

A

H

Y

A

R

F

F

A

A

S

D

S

R

L

L

S

T

P

E

R

R

A

A

A

R

A

L

A

A

G

G

A

A

V

V

N
|
N

T

T

L

L

-

K

R

K

I

L

D

D

P

D

N

G

G

E

V

I

Y

L

G

G

D

D

N

N

T

T

D
|
D

G

G

F

E

G

G

L

L

V

V

R

Q

D

D

I

L

E

-

V

L

N

A

L

Q

G

Q

V

V

S

L

L

L

K

K

G

G

A

A

R

T

I

I

L

L

L

I

G

G

A

A

G

G

A

A

R

R

G

G

V

V

V

L

L

K

P

P

M

L

L

L

E

D

R

Q

A

Q

P

P

H

A

T

S

L

I

T

T

I

V

V

T

N

N

R

R

T

T

A

F

A

A

K

K

A

A

E

E

A

Q

L

L

V

A

D

E

Q

L

F

V

A

-

Q

-

A

A

S

Y

G

G

V

E

A

V

C

-

R

-

L

-

S

-

G

-

N

K

A

A

R

Q

A

A

I

F

E

E

-

Q

-

L

P

K

G

Q

A

S

Y

Y

D

D

V

V

I

I

V

I

N

N

A

S

T

T

A

S

G

A

S

S

L

L

E

D

A

G

S

E

L

L

P

P

E

A

C

I

D

D

D

P

G

V

A

I

F

F

G

S

N

S

G

R

T

S

L

V

A

C

Y

Y

D

D

M

M

Y

Y

G

G

A

K

H

G

P

Y

T

T

V

V

F

F

M

N

E

Q

H

W

A

A

Q

R

K

Q

L

H

G

G

-

C

A

A

R

Q

G

A

A

I

D

D

G

G

L

L

G

G

M

M

L

L

V

V

E

G

Q
|
Q

A

A

E

E

S

S

F

F

Y

M

V

L

W

W

R

R

G

G

V

L

R

R

P

P

D

G

S

T

V

K

P

Q

V

I

L

L

A

R

E

E

L

L

R

R

A

K

L

N

L

L

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S20), S16 (= S22), N59 (= N65), T61 (= T67), K65 (= K71), N86 (= N92), D102 (= D107), Q244 (= Q255)

3sefA 2.4 angstrom resolution crystal structure of shikimate 5-dehydrogenase (aroe) from vibrio cholerae o1 biovar eltor str. N16961 in complex with shikimate and NADPH
51% identity, 95% coverage: 8:281/287 of query aligns to 2:266/268 of 3sefA

query
sites
3sefA

D

D

R

Q

Y

Y

A

A

V

V

I

F

G

G

N

N

P

P

V

-

G

-

H

-

S

S

K

K

S

S

P

P

F

F

I

I

H

H

S

T

R

L

F

F

A

A

A

R

Q

Q

T

T

G

Q

E

Q

P

S

V

M

E

I

Y

Y

S

T

A

A

L

Q

L

C

A

V

P

P

V

-

D

D

A

G

F

F

V

T

P

E

H

A

V

A

R

K

A

H

F

F

I

F

E

A

A

Q

G

G

R

R

G

G

L

C

N

N

V

V

T

T

V

V

P

P

F

F

K

K

L

E

D

E

A

A

H

Y

A

R

F

F

A

A

S

D

S

R

L

L

S

T

P

E

R

R

A

A

A

R

A

L

A

A

G

G

A

A

V

V

N

N

T

T

L

L

R

K

-

K

I

L

D

D

P

D

N

G

G

E

V

I

Y

L

G

G

D

D

N

N

T

T

D

D

G

G

F

E

G

G

L

L

V

V

R

Q

D

D

I

L

E

-

V

L

N

A

L

Q

G

Q

V

V

S

L

L

L

K

K

G

G

A

A

R

T

I

I

L

L

L

I

G

G

A

A

G
|
G

G

G

A
|
A

A

A

R

R

G

G

V

V

V

L

L

K

P

P

M

L

L

L

E

D

R

Q

A

Q

P

P

H

A

T

S

L

I

T

T

I

V

V

T

N
|
N

R
|
R

T
|
T

A

F

A

A

K

K

A

A

E

E

A

Q

L

L

V

A

D

E

Q

L

F

V

A

-

Q

-

A

A

S

Y

G

G

V

E

A

V

C

-

R

-

L

-

S

-

G

-

N

K

A

A

R

Q

A

A

I

F

E

E

-

Q

-

L

P

K

G

Q

A

S

Y

Y

D

D

V

V

I

I

V

I

N

N

A
x
S

T
|
T

A
x
S

G
x
A

S

S

L

L

E

D

A

G

S

E

L

L

P

P

E

A

C

I

D

D

D

P

G

V

A

I

F

F

G

S

N

S

G

R

T

S

L

V

A

C

Y

Y

D

D

M

M

M
|
M

Y

Y

G

G

A

K

H

G

P

Y

T

T

V

V

F

F

M

N

E

Q

H

W

A

A

Q

R

K

Q

L

H

G

G

-

C

A

A

R

Q

G

A

A

I

D

D

G

G

L

L

G

G

M

M

L

L

V

V

E

G

Q

Q

A

A

E

E

S

S

F

F

Y

M

V

L

W

W

R

R

G

G

V

L

R

R

P

P

D

G

S

T

V

K

P

Q

V

I

L

L

A

R

E

E

L

L

R

R

A

K

L

N

L

L

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G124 (= G134), A126 (= A136), N146 (= N156), R147 (= R157), T148 (= T158), S183 (≠ A199), T184 (= T200), S185 (≠ A201), A186 (≠ G202), M210 (= M226)

3sefC 2.4 angstrom resolution crystal structure of shikimate 5-dehydrogenase (aroe) from vibrio cholerae o1 biovar eltor str. N16961 in complex with shikimate and NADPH
48% identity, 95% coverage: 8:281/287 of query aligns to 2:243/244 of 3sefC

query
sites
3sefC

D

D

R

Q

Y

Y

A

A

V

V

I

F

G

G

N

N

P

P

V

I

G

N

H

H

S
|
S

K

K

S
|
S

P

P

F

F

I

I

H

H

S

T

R

L

F

F

A

A

A

R

Q

Q

T

T

G

Q

E

Q

P

S

V

M

E

I

Y

Y

S

T

A

A

L

Q

L

C

A

V

P

P

V

V

D

D

A

G

F

F

V

T

P

E

H

A

V

A

R

K

A

H

F

F

I

F

E

A

A

Q

G

G

R

R

G

G

L

C

N

N

V

V

T

T

V

V

P

P

F

F

K
|
K

L

E

D

E

A

A

H

Y

A

R

F

F

A

A

S

D

S

R

L

L

S

T

P

E

R

R

A

A

A

R

A

L

A

A

G

G

A

A

V

V

N

N

T

T

L

L

R

K

I

K

D

D

P

D

N

G

G

E

V

I

Y

L

G

G

D

D

N

N

T

T

D
|
D

G

G

F

E

G

G

L

L

V

V

R

Q

D

D

I

L

E

-

V

L

N

A

L

Q

G

Q

V

V

S

L

L

L

K

K

G

G

A

A

R

T

I

I

L

L

L

I

G

G

A

A

G

G

A

A

R

R

G

G

V

V

V

L

L

K

P

P

M

L

L

L

E

D

R

Q

A

Q

P

P

H

A

T

S

L

I

T

T

I

V

V

T

N

N

R

R

T

T

A

F

A

A

K

K

A

A

E

E

A

Q

L

L

V

A

D

E

Q

L

F

V

A

-

Q

-

A

A

S

Y

G

G

V

E

A

V

C

-

R

-

L

-

S

-

G

-

N

K

A

A

R

Q

A

A

I

F

E

E

-

Q

-

L

P

K

G

Q

A

S

Y

Y

D

D

V

V

I

I

V

I

N

N

A

S

T

T

A

S

G

A

S

-

L

-

E

-

A

-

S

-

L

-

P

-

E

-

C

I

D

D

D

P

G

V

A

I

F

F

G

S

N

S

G

R

T

S

L

V

A

C

Y

Y

D

D

M

M

Y

Y

G

-

A

-

H

-

P

-

T

-

V

-

F

-

M

-

E

-

H

-

A

-

Q

-

K

-

L

-

G

-

A

-

R

-

G

G

A

I

D

D

G

G

L

L

G

G

M

M

L

L

V

V

E

G

Q
|
Q

A

A

E

E

S

S

F

F

Y

M

V

L

W

W

R

R

G

G

V

L

R

R

P

P

D

G

S

T

V

K

P

Q

V

I

L

L

A

R

E

E

L

L

R

R

A

K

L

N

L

L

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S20), S16 (= S22), K65 (= K71), D101 (= D107), Q217 (= Q255)

P15770 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Escherichia coli (strain K12) (see paper)
46% identity, 96% coverage: 8:283/287 of query aligns to 2:272/272 of P15770

query
sites
P15770

D

E

R

T

Y

Y

A

A

V

V

I

F

G

G

N

N

P

P

V

I

G

A

H

H

S

S

K

K

S

S

P

P

F

F

I

I

H

H

S

Q

R

Q

F

F

A

A

A

Q

Q

Q

T

L

G

N

E

I

P

E

V

H

E

P

Y

Y

S

G

A

R

L

V

L

L

A

A

P

P

V

I

D

N

A

D

F

F

V

I

P

N

H

T

V

L

R

N

A

A

F

F

I

F

E

S

A

A

G

G

R

K

G

G

L

A

N

N

V

V

T

T

V

V

P

P

F

F

K

K

L

E

D

E

A

A

H

F

A

A

F

R

A

A

S

D

S

E

L

L

S

T

P

E

R

R

A

A

A

L

A

A

G

G

A

A

V

V

N

N

T

T

L

L

-

M

R

R

I

L

D

E

P

D

N

G

G

R

V

L

Y

L

G

G

D

D

N

N

T

T

D

D

G

G

F

V

G

G

L

L

V

L

R

S

D

D

I

L

E

E

V

-

N

R

L

L

G

S

V

F

S

I

L

R

K

P

G

G

A

L

R

R

I

I

L

L

L

I

G
|
G

A
|
A

G
|
G

A
|
A

A

S

R

R

G

G

V

V

V

L

L

L

P

P

M

L

L

L

E

S

R

-

A

L

P

D

H

C

T

A

L

V

T

T

I

I

V

T

N
|
N

R
|
R

T
|
T

A
x
V

A
x
S

K
x
R

A

A

E

E

A

E

L

L

V

A

D

K

Q

L

F

F

A

A

Q

H

A

T

A

G

S

S

G

I

V

Q

A

A

C

L

R

S

L

M

S

D

G

-

N

-

A

-

R

-

A

E

I

L

E

E

P

G

G

H

A

E

Y

F

D

D

V

L

I

I

V

I

N

N

A

A

T

T

A

S

G

S

S

G

L

I

E

S

A

G

S

D

L

I

P

P

E

A

C

I

D

P

D

S

G

S

A

L

F

I

G

H

N

P

G

G

T

I

L

Y

A

C

Y

Y

D

D

M
|
M

M

F

Y

Y

G

Q

A

K

H

G

P

K

T

T

V

P

F

F

M

L

E

A

H

W

A

C

Q

E

K

Q

L

R

G

G

A

S

-

K

R

R

G

N

A

A

D

D

G
|
G

L

L

G

G

M

M

L

L

V

V

E

A

Q

Q

A

A

E

H

S

A

F

F

Y

L

V

L

W

W

R

H

G

G

V

V

R

L

P

P

D

D

S

V

V

E

P

P

V

V

L

I

A

K

E

Q

L

L

R

Q

A

E

L

E

L

L

T

S

A

A

GAGGA 126:130 (= GAGGA 132:136) binding NADP(+)
NRTVSR 149:154 (≠ NRTAAK 156:161) binding NADP(+)
M213 (= M225) binding NADP(+)
G237 (= G248) binding NADP(+)

1nytA Shikimate dehydrogenase aroe complexed with NADP+ (see paper)
45% identity, 96% coverage: 8:282/287 of query aligns to 2:271/271 of 1nytA

query
sites
1nytA

D

E

R

T

Y

Y

A

A

V

V

I

F

G

G

N

N

P

P

V

I

G

A

H

H

S

S

K

K

S

S

P

P

F

F

I

I

H

H

S

Q

R

Q

F

F

A

A

A

Q

Q

Q

T

L

G

N

E

I

P

E

V

H

E

P

Y

Y

S

G

A

R

L

V

L

L

A

A

P

P

V

I

D

N

A

D

F

F

V

I

P

N

H

T

V

L

R

N

A

A

F

F

I

F

E

S

A

A

G

G

R

K

G

G

L

A

N

N

V

V

T

T

V

V

P

P

F

F

K
|
K

L

E

D

E

A

A

H

F

A

A

F

R

A

A

S

D

S

E

L

L

S

T

P

E

R

R

A

A

A

L

A

A

G

G

A

A

V

V

N

N

T

T

L

L

-

M

R

R

I

L

D

E

P

D

N

G

G

R

V

L

Y

L

G

G

D

D

N

N

T

T

D
|
D

G

G

F

V

G

G

L

L

V

L

R

S

D

D

I

L

E

E

V

-

N

R

L

L

G

S

V

F

S

I

L

R

K

P

G

G

A

L

R

R

I

I

L

L

L

I

G

G

A

A

G
|
G

A
|
A

A

S

R

R

G

G

V

V

V

L

L

L

P

P

M

L

L

L

E

S

R

-

A

L

P

D

H

C

T

A

L

V

T

T

I

I

V

T

N
|
N

R
|
R

T
|
T

A

V

A

S

K
x
R

A

A

E

E

A

E

L

L

V

A

D

K

Q

L

F

F

A

A

Q

H

A

T

A

G

S

S

G

I

V

Q

A

A

C

L

R

S

L

M

S

D

G

-

N

-

A

-

R

-

A

E

I

L

E

E

P

G

G

H

A

E

Y

F

D

D

V

L

I

I

V

I

N

N

A

A

T
|
T

A
x
S

G
x
S

S

G

L

I

E

S

A

G

S

D

L

I

P

P

E

A

C

I

D

P

D

S

G

S

A

L

F

I

G

H

N

P

G

G

T

I

L

Y

A

C

Y

Y

D

D

M
|
M

M

F

Y

Y

G

Q

A

K

H

G

P

K

T

T

V

P

F

F

M

L

E

A

H

W

A

C

Q

E

K

Q

L

R

G

G

A

S

-

K

R

R

G

N

A

A

D

D

G
|
G

L

L

G

G

M
|
M

L
|
L

V

V

E

A

Q

Q

A

A

E

H

S

A

F

F

Y

L

V

L

W

W

R

H

G

G

V

V

R

L

P

P

D

D

S

V

V

E

P

P

V

V

L

I

A

K

E

Q

L

L

R

Q

A

E

L

E

L

L

T

S

binding nadp nicotinamide-adenine-dinucleotide phosphate: K65 (= K71), D102 (= D107), G128 (= G134), G129 (= G135), A130 (= A136), N149 (= N156), R150 (= R157), T151 (= T158), R154 (≠ K161), T188 (= T200), S189 (≠ A201), S190 (≠ G202), M213 (= M225), G237 (= G248), M240 (= M251), L241 (= L252)

1p77A Crystal structure of shikimate dehydrogenase (aroe) from haemophilus influenzae (see paper)
41% identity, 94% coverage: 8:278/287 of query aligns to 2:261/265 of 1p77A

query
sites
1p77A

D

D

R

L

Y

Y

A

A

V

V

I

W

G

G

N

N

P

P

V

I

G

A

H

Q

S

S

K

K

S

S

P

P

F

L

I

I

H

Q

S

N

R

K

F

L

A

A

Q

Q

T

T

G

H

E

Q

P

T

V

M

E

E

Y

Y

S

I

A

A

L

K

L

L

A

G

P

D

V

L

D

D

A

A

F

F

V

E

P

Q

H

Q

V

L

R

L

A

A

F

F

I

F

E

E

A

E

G

G

G

A

R

K

G

G

L

C

N

N

V

I

T

T

V

S

P

P

F

F

K

K

L

E

D

R

A

A

H

Y

A

Q

F

L

A

A

S

D

S

E

L

Y

S

S

P

Q

R

R

A

A

A

K

A

L

A

A

G

E

A

A

V

C

N

N

T

T

L

L

-

K

R

K

I

L

D

D

P

D

N

G

G

K

V

L

Y

Y

G

A

D

D

N

N

T

T

D

D

G

G

F

I

G

G

L

L

V

V

R

T

D

D

I

L

E

Q

V

-

N

R

L

L

G

N

V

W

S

L

L

R

K

P

G

N

A

Q

R

H

I

V

L

L

L

I

L

L

G
|
G

A

A

G
|
G

A
|
A

A

T

R

K

G

G

V

V

V

L

L

L

P

P

M

L

L

L

E

Q

R

-

A

A

P

Q

H

Q

T

N

L

I

T

V

I

L

V

A

N
|
N

R
|
R

T
|
T

A

F

A

S

K
|
K

A

T

E

K

A

E

L

L

V

A

D

E

Q

R

F

F

A

Q

Q

P

A

Y

A

G

S

N

G

I

V

Q

A

A

C

V

R

S

L

M

S

D

G

-

N

-

A

-

R

-

A

S

I

I

E

P

P

L

G

Q

A

T

Y

Y

D

D

V

L

I

V

V

I

N

N

A

A

T
|
T

A
x
S

G
x
A

S

S

L

V

E

D

A

A

S

E

L

I

P

L

E

K

C

L

D

-

G

-

A

-

F

-

G

-

N

-

G

G

T

S

L

A

A

F

Y

Y

D

D

M

M

M

Q

Y

Y

G

A

A

K

-

G

H

T

P

D

T

T

V

P

F

F

M

I

E

A

H

L

A

C

Q

K

K

S

L

L

G

G

A

L

R

T

G

N

-

V

A

S

D

D

G

G

L

F

G

G

M

M

L

L

V

V

E

A

Q

Q

A

A

E

H

S

S

F

F

Y

H

V

L

W

W

R

R

G

G

V

V

R

M

P

P

D

D

S

F

V

V

P

S

V

V

L

Y

A

E

E

Q

L

L

R

K

binding 2'-monophosphoadenosine-5'-diphosphate: G126 (= G132), G128 (= G134), G129 (= G135), A130 (= A136), N149 (= N156), R150 (= R157), T151 (= T158), K154 (= K161), T188 (= T200), S189 (≠ A201), A190 (≠ G202)

P43876 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) (see paper)
41% identity, 94% coverage: 8:278/287 of query aligns to 2:268/272 of P43876

query
sites
P43876

D

D

R

L

Y

Y

A

A

V

V

I

W

G

G

N

N

P

P

V

I

G

A

H

Q

S

S

K

K

S

S

P

P

F

L

I

I

H

Q

S

N

R

K

F

L

A

A

Q

Q

T

T

G

H

E

Q

P

T

V

M

E

E

Y

Y

S

I

A

A

L

K

L

L

A

G

P

D

V

L

D

D

A

A

F

F

V

E

P

Q

H

Q

V

L

R

L

A

A

F

F

I

F

E

E

A

E

G

G

G

A

R

K

G

G

L

C

N

N

V

I

T

T

V

S

P

P

F

F

K

K

L

E

D

R

A

A

H

Y

A

Q

F

L

A

A

S

D

S

E

L

Y

S

S

P

Q

R

R

A

A

A

K

A

L

A

A

G

E

A

A

V

C

N

N

T

T

L

L

-

K

R

K

I

L

D

D

P

D

N

G

G

K

V

L

Y

Y

G

A

D

D

N

N

T

T

D

D

G

G

F

I

G

G

L

L

V

V

R

T

D

D

I

L

E

Q

V

-

N

R

L

L

G

N

V

W

S

L

L

R

K

P

G

N

A

Q

R

H

I

V

L

L

L

I

L

L

G
|
G

A
|
A

G
|
G

A
|
A

A

T

R

K

G

G

V

V

V

L

L

L

P

P

M

L

L

L

E

Q

R

-

A

A

P

Q

H

Q

T

N

L

I

T

V

I

L

V

A

N
|
N

R
|
R

T
|
T

A
x
F

A
x
S

K
|
K

A

T

E

K

A

E

L

L

V

A

D

E

Q

R

F

F

A

Q

Q

P

A

Y

A

G

S

N

G

I

V

Q

A

A

C

V

R

S

L

M

S

D

G

-

N

-

A

-

R

-

A

S

I

I

E

P

P

L

G

Q

A

T

Y

Y

D

D

V

L

I

V

V

I

N

N

A

A

T

T

A
x
S

G

A

S

G

L

L

E

S

A

G

S

G

L

T

P

A

E

S

C

V

D

D

D

A

G

E

A

I

F

L

G

K

N

L

G

G

T

S

L

A

A

F

Y

Y

D

D

M

M

M

Q

Y

Y

G

A

A

K

-

G

H

T

P

D

T

T

V

P

F

F

M

I

E

A

H

L

A

C

Q

K

K

S

L

L

G

G

A

L

R

T

G

N

-

V

A

S

D

D

G

G

L

F

G

G

M

M

L

L

V

V

E

A

Q

Q

A

A

E

H

S

S

F

F

Y

H

V

L

W

W

R

R

G

G

V

V

R

M

P

P

D

D

S

F

V

V

P

S

V

V

L

Y

A

E

E

Q

L

L

R

K

GAGGA 126:130 (= GAGGA 132:136) binding NADP(+)
NRTFSK 149:154 (≠ NRTAAK 156:161) binding NADP(+)
S189 (≠ A201) binding NADP(+)

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
31% identity, 91% coverage: 9:269/287 of query aligns to 2:244/258 of 3dooA

query
sites
3dooA

R

K

Y

F

A

A

V

V

I

I

G

G

N

N

P

P

V

I

G

S

H

H

S
|
S

K

L

S
|
S

P

P

F

L

I

M

H

H

-

H

S

A

R

N

F

F

A

Q

A

S

Q

L

T

N

G

L

E

E

P

N

V

T

E

-

Y

Y

S

E

A

A

L

I

L

N

A

V

P

P

V

V

D

N

A

Q

F

F

V

Q

P

D

H

I

V

K

R

K

A

I

F

I

I

S

E

E

A

K

G

S

G

I

R

D

G

G

L

F

N
|
N

V

V

T
|
T

V

I

P

P

F

H

K
|
K

L

E

D

R

A

I

H

I

A

P

F

Y

A

L

S

D

L

I

S

N

P

E

R

Q

A

A

A

K

A

S

A

V

G

G

A

A

V

V

N
|
N

T

T

L

V

R

L

I

V

D

K

P

D

N

G

G

K

V

W

Y

I

G

G

D

Y

N

N

T

T

D
|
D

G

G

F

I

G

G

L

Y

V

V

R

N

D

G

I

L

E

K

V

-

N

Q

L

I

G

Y

V

E

S

G

L

I

K

E

G

D

A

A

R

Y

I

I

L

L

L

I

L

L

G

G

A

A

G

G

A

A

A

S

R

K

G

G

V

I

V

A

L

N

P

E

M

L

L

Y

E

K

R

I

A

V

P

R

H

P

T

T

L

L

T

T

I

V

V

A

N

N

R

R

T

T

A

M

A

S

K

R

A

-

E

-

A

-

L

-

V

-

D

-

Q

-

F

F

A

N

Q

N

A

W

A

S

S

L

G

N

V

I

-

N

A

K

C

I

R

N

L

L

S

S

G

H

G

A

N

E

A

S

R

H

A

L

I

D

E

E

P

-

G

-

A

-

Y

F

D

D

V

I

I

I

V

I

N

N

A

T

T

T

A

-

G

-

S

-

L

-

E

-

A

-

S

-

L

-

P

P

E

V

C

I

D

S

D

L

G

N

A

R

F

L

G

A

N

S

G

H

T

T

L

L

A

V

Y

S

D

D

M

I

M

V

Y

Y

G

N

A

P

H

Y

P

K

T

T

V

P

F

I

M

L

E

I

H

E

A

A

Q

E

K

Q

L

R

G

G

A

N

R

P

G

I

A

Y

D

N

G

G

L

L

G

D

M

M

L
x
F

V

V

E

H

Q
|
Q

A

G

A

A

E

E

S

S

F

F

Y

K

V

I

W

W

R

T

G

N

V

L

R

E

P

P

D

D

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S13 (= S20), S15 (= S22), N58 (= N65), T60 (= T67), K64 (= K71), N85 (= N92), D100 (= D107), F227 (≠ L252), Q230 (= Q255)

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / DSM 28319 / BCRC 17069 / CCUG 31568 / BM 3577 / RP62A) (see paper)
31% identity, 91% coverage: 9:269/287 of query aligns to 2:253/269 of Q5HNV1

query
sites
Q5HNV1

R

K

Y

F

A

A

V

V

I

I

G

G

N

N

P

P

V

I

G

S

H

H

S
|
S

K
x
L

S
|
S

P

P

F

L

I

M

H

H

-

H

S

A

R

N

F

F

A

Q

A

S

Q

L

T

N

G

L

E

E

P

N

V

T

E

-

Y

Y

S

E

A

A

L

I

L

N

A

V

P

P

V

V

D

N

A

Q

F

F

V

Q

P

D

H

I

V

K

R

K

A

I

F

I

I

S

E

E

A

K

G

S

G

I

R

D

G

G

L

F

N

N

V

V

T
|
T

V

I

P

P

F

H

K

K

L

E

D

R

A

I

H

I

A

P

F

Y

A

L

S

D

L

I

S

N

P

E

R

Q

A

A

A

K

A

S

A

V

G

G

A

A

V

V

N
|
N

T

T

L

V

R

L

I

V

D

K

P

D

N

G

G

K

V

W

Y

I

G

G

D

Y

N

N

T

T

D
|
D

G

G

F

I

G

G

L

Y

V

V

R

N

D

G

I

L

E

K

V

-

N

Q

L

I

G

Y

V

E

S

G

L

I

K

E

G

D

A

A

R

Y

I

I

L

L

L

I

L

L

G

G

A

A

G

G

A

A

A

S

R

K

G

G

V

I

V

A

L

N

P

E

M

L

L

Y

E

K

R

I

A

V

P

R

H

P

T

T

L

L

T

T

I

V

V

A

N

N

R

R

T

T

A

M

A

S

K

R

A

-

E

-

A

-

L

-

V

-

D

-

Q

-

F

F

A

N

Q

N

A

W

A

S

S

L

G

N

V

I

-

N

A

K

C

I

R

N

L

L

S

S

G

H

G

A

N

E

A

S

R

H

A

L

I

D

E

E

P

-

G

-

A

-

Y

F

D

D

V

I

I

I

V

I

N

N

A

T

T

T

A

P

G

A

S

G

L

M

E

N

A

G

S

N

L

T

P

D

E

S

C

V

D

I

D

S

-

L

G

N

A

R

F

L

G

A

N

S

G

H

T

T

L

L

A

V

Y

S

D

D

M

I

M

V

Y
|
Y

G

N

A

P

H

Y

P

K

T

T

V

P

F

I

M

L

E

I

H

E

A

A

Q

E

K

Q

L

R

G

G

A

N

R

P

G

I

A

Y

D

N

G

G

L

L

G

D

M

M

L

F

V

V

E

H

Q
|
Q

A

G

A

A

E

E

S

S

F

F

Y

K

V

I

W

W

R

T

G

N

V

L

R

E

P

P

D

D

SLS 13:15 (≠ SKS 20:22) binding shikimate
T60 (= T67) binding shikimate
N85 (= N92) binding shikimate
D100 (= D107) 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

3phiA Shikimate 5-dehydrogenase (aroe) from helicobacter pylori in complex with shikimate and NADPH
34% identity, 87% coverage: 10:260/287 of query aligns to 6:239/259 of 3phiA

query
sites
3phiA

Y

F

A

G

V

V

I

F

G

G

N

N

P

P

V

I

G

K

H

H

S
|
S

K

K

S
|
S

P

P

F

L

I

I

H

H

S

N

-

A

-

C

-

F

-

L

R

T

F

F

A

Q

A

K

Q

E

T

L

G

R

E

F

P

L

V

G

E

H

Y

Y

S

H

A

P

L

I

L

L

A

L

P

P

V

L

D

E

A

S

F

-

V

-

P

-

H

H

V

I

R

K

A

S

-

E

F

F

I

L

E

H

A

L

G

G

G

L

R

S

G

G

L

A

N
|
N

V

V

T

T

V
x
L

P
|
P

F

F

K
|
K

L

E

D

R

A

A

H

F

A

Q

F

V

A

C

S

D

S

K

L

I

S

K

P

G

R

I

A

A

A

L

A

E

A

C

G

G

A

A

V

V

N
|
N

T

T

L

L

R

V

I

L

D

E

P

N

N

D

G

E

V

L

Y

V

G

G

D

Y

N

N

T

T

D
|
D

G

A

F

L

G

G

L

F

V

Y

R

-

D

-

I

-

E

-

V

-

N

-

L

-

G

-

V

L

S

S

L

L

K

K

G

Y

A

Q

R

N

I

A

L

L

L

I

L

L

G

G

A

A

G
|
G

A
x
S

A

A

R

K

G

A

V

L

V

A

L

C

P

E

M

-

L

L

E

K

R

K

A

Q

P

G

H

L

T

Q

L

V

T

S

I

V

V

L

N

N

R
|
R

T

S

A

S

A

R

K

G

A

-

E

-

A

-

L

-

V

L

D

D

Q

F

F

F

A

Q

Q

R

A

L

A

-

S

-

G

G

V

C

A

D

C

C

R

-

L

-

S

-

G

-

N

-

A

-

R

-

A

F

I

M

E

E

P

P

-

P

-

K

G

S

A

A

Y

F

D

D

V

L

I

I

V

I

N

N

A

A

T
|
T

A
x
S

G
x
A

S

S

L
|
L

E

H

A

N

S

E

L

L

P
|
P

-

L

-

N

-

K

E

E

C

V

D

L

D

K

G

G

A

Y

F

F

G

K

N

E

G

G

T

K

L

L

A

A

Y

Y

D

D

M
x
L

M

A

Y
|
Y

G

G

A

-

H

F

P

L

T

T

V

P

F

F

M

L

E

S

H

L

A

A

Q

K

K

E

L

L

G

K

A

T

R

P

G

F

A

Q

D

D

G
|
G

L

K

G

D

M
|
M

L
|
L

V

I

E

Y

Q
|
Q

A

A

E

L

S

S

F

F

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: L66 (≠ V68), P67 (= P69), K69 (= K71), G124 (= G134), G125 (= G135), S126 (≠ A136), R146 (= R157), T177 (= T200), S178 (≠ A201), A179 (≠ G202), L181 (= L204), P186 (= P209), L205 (≠ M225), Y207 (= Y227), G227 (= G248), M230 (= M251), L231 (= L252)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S16 (= S20), S18 (= S22), N63 (= N65), K69 (= K71), N90 (= N92), D105 (= D107), Y207 (= Y227), Q234 (= Q255)

P56119 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori)
34% identity, 87% coverage: 10:260/287 of query aligns to 6:242/263 of P56119

query
sites
P56119

Y

F

A

G

V

V

I

F

G

G

N

N

P

P

V

I

G

K

H

H

S
|
S

K
|
K

S
|
S

P

P

F

L

I

I

H

H

S

N

-

A

-

C

-

F

-

L

R

T

F

F

A

Q

A

K

Q

E

T

L

G

R

E

F

P

L

V

G

E

H

Y

Y

S

H

A

P

L

I

L

L

A

L

P

P

V

L

D

E

A

S

F

-

V

-

P

-

H

H

V

I

R

K

A

S

-

E

F

F

I

L

E

H

A

L

G

G

G

L

R

S

G

G

L

A

N

N

V

V

T
|
T

V

L

P

P

F

F

K

K

L

E

D

R

A

A

H

F

A

Q

F

V

A

C

S

D

S

K

L

I

S

K

P

G

R

I

A

A

A

L

A

E

A

C

G

G

A

A

V

V

N
|
N

T

T

L

L

R

V

I

L

D

E

P

N

N

D

G

E

V

L

Y

V

G

G

D

Y

N

N

T

T

D
|
D

G

A

F

L

G

G

L

F

V

Y

R

-

D

-

I

-

E

-

V

-

N

-

L

-

G

-

V

L

S

S

L

L

K

K

G

Q

A

K

R

N

I

Y

-

Q

-

N

-

A

L

L

L

I

L

L

G
|
G

A
|
A

G
|
G

A
x
S

A

A

R

K

G

A

V

L

V

A

L

C

P

E

M

-

L

L

E

K

R

K

A

Q

P

G

H

L

T

Q

L

V

T

S

I

V

V

L

N

N

R

R

T

S

A

S

A

R

K

G

A

-

E

-

A

-

L

-

V

L

D

D

Q

F

F

F

A

Q

Q

R

A

L

A

-

S

-

G

G

V

C

A

D

C

C

R

-

L

-

S

-

G

-

N

-

A

-

R

-

A

F

I

M

E

E

P

P

-

P

-

K

G

S

A

A

Y

F

D

D

V

L

I

I

V

I

N

N

A

A

T

T

A
x
S

G

A

S

S

L

L

E

H

A

N

S

E

L

L

P

P

-

L

-

N

-

K

E

E

C

V

D

L

D

K

G

G

A

Y

F

F

G

K

N

E

G

G

T

K

L

L

A

A

Y

Y

D

D

M

L

M

A

Y
|
Y

G

G

A

-

H

F

P

L

T

T

V

P

F

F

M

L

E

S

H

L

A

A

Q

K

K

E

L

L

G

K

A

T

R

P

G

F

A

Q

D

D

G
|
G

L

K

G

D

M

M

L

L

V

I

E

Y

Q
|
Q

A

A

E

L

S

S

F

F

SKS 16:18 (= SKS 20:22) binding shikimate
T65 (= T67) binding shikimate
N90 (= N92) binding shikimate
D105 (= D107) binding shikimate
GAGGS 125:129 (≠ GAGGA 132:136) binding NADP(+)
S181 (≠ A201) binding NADP(+)
Y210 (= Y227) binding shikimate
G230 (= G248) binding NADP(+)
Q237 (= Q255) binding shikimate

4fosA Crystal structure of shikimate dehydrogenase (aroe) q237a mutant from helicobacter pylori in complex with shikimate
34% identity, 87% coverage: 10:260/287 of query aligns to 6:242/263 of 4fosA

query
sites
4fosA

Y

F

A

G

V

V

I

F

G

G

N

N

P

P

V

I

G

K

H

H

S
|
S

K

K

S
|
S

P

P

F

L

I

I

H

H

S

N

-

A

-

C

-

F

-

L

R

T

F

F

A

Q

A

K

Q

E

T

L

G

R

E

F

P

L

V

G

E

H

Y

Y

S

H

A

P

L

I

L

L

A

L

P

P

V

L

D

E

A

S

F

-

V

-

P

-

H

H

V

I

R

K

A

S

-

E

F

F

I

L

E

H

A

L

G

G

G

L

R

S

G

G

L

A

N
|
N

V
|
V

T
|
T

V

L

P

P

F

F

K
|
K

L

E

D

R

A

A

H

F

A

Q

F

V

A

C

S

D

S

K

L

I

S

K

P

G

R

I

A

A

A

L

A

E

A

C

G

G

A

A

V

V

N
|
N

T

T

L

L

R

V

I

L

D

E

P

N

N

D

G

E

V

L

Y

V

G

G

D

Y

N

N

T

T

D
|
D

G

A

F

L

G

G

L

F

V

Y

R

-

D

-

I

-

E

-

V

-

N

-

L

-

G

-

V

L

S

S

L

L

K

K

G

Q

A

K

R

N

I

Y

-

Q

-

N

-

A

L

L

L

I

L

L

G

G

A

A

G

G

A

S

A

A

R

K

G

A

V

L

V

A

L

C

P

E

M

-

L

L

E

K

R

K

A

Q

P

G

H

L

T

Q

L

V

T

S

I

V

V

L

N

N

R

R

T

S

A

S

A

R

K

G

A

-

E

-

A

-

L

-

V

L

D

D

Q

F

F

F

A

Q

Q

R

A

L

A

-

S

-

G

G

V

C

A

D

C

C

R

-

L

-

S

-

G

-

N

-

A

-

R

-

A

F

I

M

E

E

P

P

-

P

-

K

G

S

A

A

Y

F

D

D

V

L

I

I

V

I

N

N

A

A

T

T

A

S

G

A

S

S

L

L

E

H

A

N

S

E

L

L

P

P

-

L

-

N

-

K

E

E

C

V

D

L

D

K

G

G

A

Y

F

F

G

K

N

E

G

G

T

K

L

L

A

A

Y

Y

D

D

M

L

M

A

Y
|
Y

G

G

A

-

H

F

P

L

T

T

V

P

F

F

M

L

E

S

H

L

A

A

Q

K

K

E

L

L

G

K

A

T

R

P

G

F

A

Q

D

D

G

G

L

K

G

D

M

M

L
|
L

V

I

E

Y

Q

A

A

A

E

L

S

S

F

F

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S16 (= S20), S18 (= S22), N63 (= N65), V64 (= V66), T65 (= T67), K69 (= K71), N90 (= N92), D105 (= D107), Y210 (= Y227), L234 (= L252)

3phjA Shikimate 5-dehydrogenase (aroe) from helicobacter pylori in complex with 3-dehydroshikimate
34% identity, 87% coverage: 10:260/287 of query aligns to 6:234/255 of 3phjA

query
sites
3phjA

Y

F

A

G

V

V

I

F

G

G

N

N

P

P

V

I

G

K

H

H

S
|
S

K

K

S
|
S

P

P

F

L

I

I

H

H

S

N

-

A

-

C

-

F

-

L

R

T

F

F

A

Q

A

K

Q

E

T

L

G

R

E

F

P

L

V

G

E

H

Y

Y

S

H

A

P

L

I

L

L

A

L

P

P

V

L

D

E

A

S

F

-

V

-

P

-

H

H

V

I

R

K

A

S

-

E

F

F

I

L

E

H

A

L

G

G

G

L

R

S

G

G

L

A

N
|
N

V

V

T

T

V

L

P

P

F

F

K
|
K

L

E

D

R

A

A

H

F

A

Q

F

V

A

C

S

D

S

K

L

I

S

K

P

G

R

I

A

A

A

L

A

E

A

C

G

G

A

A

V

V

N
|
N

T

T

L

L

R

V

I

L

D

E

P

N

N

D

G

E

V

L

Y

V

G

G

D

Y

N

N

T

T

D
|
D

G

A

F

L

G

G

L

F

V

Y

R

-

D

-

I

-

E

-

V

-

N

-

L

-

G

-

V

L

S

S

L

L

K

K

G

Y

A

Q

R

N

I

A

L

L

L

I

L

L

G

G

A

A

G

G

A

S

A

A

R

K

G

A

V

L

V

A

L

C

P

E

M

-

L

L

E

K

R

K

A

Q

P

G

H

L

T

Q

L

V

T

S

I

V

V

L

N

N

R

R

T

S

A

S

A

R

K

G

A

-

E

-

A

-

L

-

V

L

D

D

Q

F

F

F

A

Q

Q

R

A

L

A

-

S

-

G

G

V

C

A

D

C

C

R

-

L

-

S

-

G

-

N

-

A

-

R

-

A

F

I

M

E

E

P

P

-

P

-

K

G

S

A

A

Y

F

D

D

V

L

I

I

V

I

N

N

A

A

T

T

A

-

G

-

S

-

L

-

E

-

A

S

S

E

L

L

P

P

-

L

-

N

-

K

E

E

C

V

D

L

D

K

G

G

A

Y

F

F

G

K

N

E

G

G

T

K

L

L

A

A

Y

Y

D

D

M

L

M

A

Y
|
Y

G

G

A

-

H

F

P

L

T

T

V

P

F

F

M

L

E

S

H

L

A

A

Q

K

K

E

L

L

G

K

A

T

R

P

G

F

A

Q

D

D

G

G

L

K

G

D

M

M

L

L

V

I

E

Y

Q
|
Q

A

A

E

L

S

S

F

F

binding 3-dehydroshikimate: S16 (= S20), S18 (= S22), N63 (= N65), K69 (= K71), N90 (= N92), D105 (= D107), Y202 (= Y227), Q229 (= 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)
31% identity, 90% coverage: 12:269/287 of query aligns to 11:268/282 of Q58484

query
sites
Q58484

V

L

I

I

G

G

N

H

P

P

V

V

G

E

H

H

S

S

K

F

S

S

P

P

F

I

I

M

H

H

S

N

R

A

F

A

A

F

A

K

Q

D

T

K

G

G

E

L

P

N

V

Y

E

V

Y

Y

S

V

A

A

L

F

L

-

A

-

P

-

V

-

D

D

A

V

F

L

V

P

P

E

H

N

V

L

R

K

A

Y

F

V

I

I

E

D

A

G

-

A

-

K

-

A

-

L

G

G

G

I

R

V

G

G

L

F

N

N

V

V

T

T

V

I

P

P

F

H

K

K

L

I

D

E

A

I

H

M

A

K

F

Y

A

L

S

D

S

E

L

I

S

D

P

K

R

D

A

A

A

Q

A

L

A

I

G

G

A

A

V

V

N

N

T

T

L

I

R

K

I

I

D

E

P

D

N

G

G

K

V

A

Y

I

G

G

D

Y

N

N

T

T

D

D

G

G

F

I

G

G

L

A

V

R

R

M

D

A

I

L

E

E

V

E

N

E

L

I

G

G

V

-

S

R

L

V

K

K

G

D

A

K

R

N

I

I

L

V

L

I

L

Y

G
|
G

A
|
A

G
|
G

A
|
A

A

A

R

R

G

A

V

V

V

A

L

F

P

E

M

L

L

A

E

K

R

-

A

-

P

D

H

N

T

N

L

I

T

I

I

I

V

A

N
|
N

R
|
R

T
|
T

A
x
V

A
x
E

K
|
K

A

A

E

E

A

A

L

L

V

A

D

K

Q

E

F

I

A

A

Q

E

A

K

A

L

S

N

-

K

-

F

G

G

V

E

A

E

C

V

R

K

L

F

S

S

G

G

G

L

N

D

A

-

R

-

A

-

I

V

E

D

P

L

G

D

A

G

Y

V

D

D

V

I

I

I

V

I

N

N

A

A

T
|
T

A

P

G

I

S

G

L
x
M

E

Y

A

P

S

N

L

I

-

D

-

V

-

E

P

P

E

I

C

V

D

K

D

A

G

E

A

K

F

L

G

R

N

E

G

D

T

M

L

V

A

V

Y

M

D

D

M
x
L

M

I

Y

Y

G

N

A

P

H

L

P

E

T

T

V

V

F

L

M

L

E

K

H

E

A

A

Q

K

K

K

L

V

G

N

A

A

R

K

G

T

A

I

D

N

G

G

L

L

G

G

M

M

L

L

V

I

E

Y

Q

Q

A

G

A

A

E

V

S

A

F

F

Y

K

V

I

W

W

R

T

G

G

V

V

R

E

P

P

D

N

GAGGA 130:134 (= GAGGA 132:136) binding NADP(+)
NRTVEK 152:157 (≠ NRTAAK 156:161) binding NADP(+)
T196 (= T200) binding NADP(+)
M200 (≠ L204) binding NADP(+)
L224 (≠ M225) binding NADP(+)

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
31% identity, 90% coverage: 12:269/287 of query aligns to 16:273/287 of 1nvtB

query
sites
1nvtB

V

L

I

I

G

G

N

H

P

P

V

V

G
x
E

H
|
H

S

S

K

F

S

S

P

P

F

I

I

M

H

H

S

N

R

A

F

A

A

F

A

K

Q

D

T

K

G

G

E

L

P

N

V

Y

E

V

Y

Y

S

V

A

A

L

F

L

-

A

-

P

-

V

-

D

D

A

V

F

L

V

P

P

E

H

N

V

L

R

K

A

Y

F

V

I

I

E

D

A

G

-

A

-

K

-

A

-

L

G

G

G

I

R

V

G

G

L

F

N

N

V

V

T

T

V
x
I

P

P

F

H

K
|
K

L

I

D

E

A

I

H

M

A

K

F

Y

A

L

S

D

S

E

L

I

S

D

P

K

R

D

A

A

A

Q

A

L

A

I

G

G

A

A

V

V

N

N

T

T

L

I

R

K

I

I

D

E

P

D

N

G

G

K

V

A

Y

I

G

G

D

Y

N

N

T

T

D
|
D

G

G

F

I

G

G

L

A

V

R

R

M

D

A

I

L

E

E

V

E

N

E

L

I

G

G

V

-

S

R

L

V

K

K

G

D

A

K

R

N

I

I

L

V

L

I

L

Y

G
|
G

A

A

G
|
G

A
|
A

A

A

R

R

G

A

V

V

V

A

L

F

P

E

M

L

L

A

E

K

R

-

A

-

P

D

H

N

T

N

L

I

T

I

I

I

V

A

N
|
N

R
|
R

T
|
T

A

V

A

E

K
|
K

A

A

E

E

A

A

L

L

V

A

D

K

Q

E

F

I

A

A

Q

E

A

K

A

L

S

N

-

K

-

F

G

G

V

E

A

E

C

V

R

K

L

F

S

S

G

G

G

L

N

D

A

-

R

-

A

-

I

V

E

D

P

L

G

D

A

G

Y

V

D

D

V

I

I

I

V

I

N

N

A
|
A

T
|
T

A
x
P

G
x
I

S

G

L
x
M

E

Y

A

P

S

N

L

I

-

D

-

V

-

E

P

P

E

I

C

V

D

K

D

A

G

E

A

K

F

L

G

R

N

E

G

D

T

M

L

V

A

V

Y

M

D

D

M
x
L

M

I

Y
|
Y

G

N

A

P

H

L

P

E

T

T

V

V

F

L

M

L

E

K

H

E

A

A

Q

K

K

K

L

V

G

N

A

A

R

K

G

T

A

I

D

N

G

G

L

L

G

G

M
|
M

L
|
L

V

I

E

Y

Q

Q

A

G

A

A

E

V

S

A

F

F

Y

K

V

I

W

W

R

T

G

G

V

V

R

E

P

P

D

N

active site: K75 (= K71), D111 (= D107)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I72 (≠ V68), G135 (= G132), G137 (= G134), G138 (= G135), A139 (= A136), N157 (= N156), R158 (= R157), T159 (= T158), K162 (= K161), A200 (= A199), T201 (= T200), P202 (≠ A201), I203 (≠ G202), M205 (≠ L204), L229 (≠ M225), Y231 (= Y227), M255 (= M251), L256 (= L252)
binding zinc ion: E22 (≠ G18), H23 (= H19)

1nvtA Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
31% identity, 90% coverage: 12:269/287 of query aligns to 16:273/287 of 1nvtA

query
sites
1nvtA

V

L

I

I

G

G

N

H

P

P

V

V

G

E

H

H

S

S

K

F

S

S

P

P

F

I

I

M

H

H

S

N

R

A

F

A

A

F

A

K

Q

D

T

K

G

G

E

L

P

N

V

Y

E

V

Y

Y

S

V

A

A

L

F

L

-

A

-

P

-

V

-

D

D

A

V

F

L

V

P

P

E

H

N

V

L

R

K

A

Y

F

V

I

I

E

D

A

G

-

A

-

K

-

A

-

L

G

G

G

I

R

V

G

G

L

F

N

N

V

V

T

T

V

I

P

P

F

H

K
|
K

L

I

D

E

A

I

H

M

A

K

F

Y

A

L

S

D

S

E

L

I

S

D

P

K

R

D

A

A

A

Q

A

L

A

I

G

G

A

A

V

V

N

N

T

T

L

I

R

K

I

I

D

E

P

D

N

G

G

K

V

A

Y

I

G

G

D

Y

N

N

T

T

D
|
D

G

G

F

I

G

G

L

A

V

R

R

M

D

A

I

L

E

E

V

E

N

E

L

I

G

G

V

-

S

R

L

V

K

K

G

D

A

K

R

N

I

I

L

V

L

I

L

Y

G
|
G

A

A

G

G

A
|
A

A

A

R

R

G

A

V

V

V

A

L

F

P

E

M

L

L

A

E

K

R

-

A

-

P

D