SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing GFF3809 FitnessBrowser__Marino:GFF3809 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)
53% identity, 99% coverage: 4:275/275 of query aligns to 6:273/278 of Q9KVT3

query
sites
Q9KVT3

D

D

L

Q

Y

Y

A

A

V

V

V

F

G

G

N

N

P

P

I

I

S

N

H

H

S
|
S

K
|
K

S
|
S

P

P

R

F

I

I

H

H

S

T

L

L

F

F

A

A

S

R

E

Q

T

T

G

Q

E

Q

P

S

V

M

E

I

Y

Y

T

T

A

A

I

Q

Q

C

A

V

P

P

L

V

D

D

D

G

F

F

A

T

G

E

T

A

V

A

R

K

Q

H

F

F

E

A

R

Q

G

G

K

R

G

G

L

C

N

N

V

V

T

T

V

V

P

P

F

F

K

K

E

E

D

E

A

A

W

Y

K

R

L

F

A

A

D

D

R

R

R

L

T

T

E

E

R

R

A

A

E

R

N

L

A

A

G

G

A

A

A

V

N
|
N

T

T

L

L

Y

K

L

K

D

L

D

D

E

D

G

G

R

E

L

I

T

L

A

G

D

D

N

N

T

T

D
|
D

G

G

C

E

G

G

I

L

V

V

R

Q

D

D

L

L

V

L

V

A

N

Q

H

Q

G

-

V

V

V

L

L

L

G

K

Q

G

A

A

R

T

I

I

L

L

V

L

L

I

G

G

A

A

G

G

A

A

V

A

R

R

G

G

V

V

L

L

G

K

P

P

I

L

L

L

A

D

E

Q

H

Q

P

P

A

A

A

S

I

I

T

T

I

V

A

T

N
|
N

R
|
R

T
|
T

V
x
F

S
x
A

K
|
K

A

A

D

E

A

Q

L

L

V

A

N

E

L

L

F

-

K

-

P

-

V

V

A

A

G

A

E

Y

T

G

A

E

L

V

S

K

A

A

C

Q

G

A

F

F

E

E

Q

Q

P

L

R

K

E

Q

P

S

F

Y

D

D

V

V

I

I

N

N

G

S

T

T

S

S

A

A

S

S

L

L

Q

D

G

G

D

E

L

L

P

P

P

A

L

I

S

D

P

P

E

V

V

I

L

F

G

S

E

S

Q

R

T

S

V

V

V

C

Y

Y

D

D

M

M

Y

Y

S

G

L

K

Q

G

T

Y

T

T

T

V

F

F

N

N

Q

Q

W

W

A

A

L

R

E

Q

Q

H

G

G

A

C

Q

A

N

Q

V

A

H

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

R

M

I

L

W

W

R

R

G

G

V

L

N

R

P

P

A

G

T

T

G

K

P

Q

V

I

I

L

E

R

E

E

L

L

R

R

N

K

D

N

SKS 18:20 (= SKS 16:18) binding shikimate
N90 (= N88) binding shikimate
D106 (= D104) binding shikimate
NRTFAK 154:159 (≠ NRTVSK 153:158) binding NADP(+)
Q248 (= Q250) 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
53% identity, 99% coverage: 4:275/275 of query aligns to 2:269/272 of 3pgjA

query
sites
3pgjA

D

D

L

Q

Y

Y

A

A

V

V

V

F

G

G

N

N

P

P

I

I

S

N

H

H

S
|
S

K

K

S
|
S

P

P

R

F

I

I

H

H

S

T

L

L

F

F

A

A

S

R

E

Q

T

T

G

Q

E

Q

P

S

V

M

E

I

Y

Y

T

T

A

A

I

Q

Q

C

A

V

P

P

L

V

D

D

D

G

F

F

A

T

G

E

T

A

V

A

R

K

Q

H

F

F

E

A

R

Q

G

G

K

R

G

G

L

C

N
|
N

V

V

T
|
T

V

V

P

P

F

F

K
|
K

E

E

D

E

A

A

W

Y

K

R

L

F

A

A

D

D

R

R

R

L

T

T

E

E

R

R

A

A

E

R

N

L

A

A

G

G

A

A

A

V

N
|
N

T

T

L

L

Y

K

L

K

D

L

D

D

E

D

G

G

R

E

L

I

T

L

A

G

D

D

N

N

T

T

D
|
D

G

G

C

E

G

G

I

L

V

V

R

Q

D

D

L

L

V

L

V

A

N

Q

H

Q

G

-

V

V

V

L

L

L

G

K

Q

G

A

A

R

T

I

I

L

L

V

L

L

I

G

G

A

A

G

G

A

A

V

A

R

R

G

G

V

V

L

L

G

K

P

P

I

L

L

L

A

D

E

Q

H

Q

P

P

A

A

A

S

I

I

T

T

I

V

A

T

N

N

R

R

T

T

V

F

S

A

K

K

A

A

D

E

A

Q

L

L

V

A

N

E

L

L

F

-

K

-

P

-

V

V

A

A

G

A

E

Y

T

G

A

E

L

V

S

K

A

A

C

Q

G

A

F

F

E

E

Q

Q

P

L

R

K

E

Q

P

S

F

Y

D

D

V

V

I

I

N

N

G

S

T

T

S

S

A

A

S

S

L

L

Q

D

G

G

D

E

L

L

P

P

P

A

L

I

S

D

P

P

E

V

V

I

L

F

G

S

E

S

Q

R

T

S

V

V

V

C

Y

Y

D

D

M

M

Y

Y

S

G

L

K

Q

G

T

Y

T

T

T

V

F

F

N

N

Q

Q

W

W

A

A

L

R

E

Q

Q

H

G

G

A

C

Q

A

N

Q

V

A

H

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

R

M

I

L

W

W

R

R

G

G

V

L

N

R

P

P

A

G

T

T

G

K

P

Q

V

I

I

L

E

R

E

E

L

L

R

R

N

K

D

N

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S16), S16 (= S18), N59 (= N61), T61 (= T63), K65 (= K67), N86 (= N88), D102 (= D104), Q244 (= Q250)

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
52% identity, 99% coverage: 4:275/275 of query aligns to 2:265/268 of 3sefA

query
sites
3sefA

D

D

L

Q

Y

Y

A

A

V

V

V

F

G

G

N

N

P

P

I

-

S

-

H

-

S

S

K

K

S

S

P

P

R

F

I

I

H

H

S

T

L

L

F

F

A

A

S

R

E

Q

T

T

G

Q

E

Q

P

S

V

M

E

I

Y

Y

T

T

A

A

I

Q

Q

C

A

V

P

P

L

-

D

D

D

G

F

F

A

T

G

E

T

A

V

A

R

K

Q

H

F

F

E

A

R

Q

G

G

K

R

G

G

L

C

N

N

V

V

T

T

V

V

P

P

F

F

K

K

E

E

D

E

A

A

W

Y

K

R

L

F

A

A

D

D

R

R

R

L

T

T

E

E

R

R

A

A

E

R

N

L

A

A

G

G

A

A

A

V

N

N

T

T

L

L

Y

K

L

K

D

L

D

D

E

D

G

G

R

E

L

I

T

L

A

G

D

D

N

N

T

T

D

D

G

G

C

E

G

G

I

L

V

V

R

Q

D

D

L

L

V

L

V

A

N

Q

H

Q

G

-

V

V

V

L

L

L

G

K

Q

G

A

A

R

T

I

I

L

L

V

L

L

I

G

G

A

A

G
|
G

G

G

A
|
A

V

A

R

R

G

G

V

V

L

L

G

K

P

P

I

L

L

L

A

D

E

Q

H

Q

P

P

A

A

A

S

I

I

T

T

I

V

A

T

N
|
N

R
|
R

T
|
T

V

F

S

A

K

K

A

A

D

E

A

Q

L

L

V

A

N

E

L

L

F

-

K

-

P

-

V

V

A

A

G

A

E

Y

T

G

A

E

L

V

S

K

A

A

C

Q

G

A

F

F

E

E

Q

Q

P

L

R

K

E

Q

P

S

F

Y

D

D

V

V

I

I

N

N

G
x
S

T
|
T

S
|
S

A
|
A

S

S

L

L

Q

D

G

G

D

E

L

L

P

P

P

A

L

I

S

D

P

P

E

V

V

I

L

F

G

S

E

S

Q

R

T

S

V

V

V

C

Y

Y

D

D

M

M

M
|
M

Y

Y

S

G

L

K

Q

G

T

Y

T

T

T

V

F

F

N

N

Q

Q

W

W

A

A

L

R

E

Q

Q

H

G

G

A

C

Q

A

N

Q

V

A

H

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

R

M

I

L

W

W

R

R

G

G

V

L

N

R

P

P

A

G

T

T

G

K

P

Q

V

I

I

L

E

R

E

E

L

L

R

R

N

K

D

N

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G124 (= G131), A126 (= A133), N146 (= N153), R147 (= R154), T148 (= T155), S183 (≠ G193), T184 (= T194), S185 (= S195), A186 (= A196), M210 (= M220)

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
49% identity, 99% coverage: 4:275/275 of query aligns to 2:242/244 of 3sefC

query
sites
3sefC

D

D

L

Q

Y

Y

A

A

V

V

V

F

G

G

N

N

P

P

I

I

S

N

H

H

S
|
S

K

K

S
|
S

P

P

R

F

I

I

H

H

S

T

L

L

F

F

A

A

S

R

E

Q

T

T

G

Q

E

Q

P

S

V

M

E

I

Y

Y

T

T

A

A

I

Q

Q

C

A

V

P

P

L

V

D

D

D

G

F

F

A

T

G

E

T

A

V

A

R

K

Q

H

F

F

E

A

R

Q

G

G

K

R

G

G

L

C

N

N

V

V

T

T

V

V

P

P

F

F

K
|
K

E

E

D

E

A

A

W

Y

K

R

L

F

A

A

D

D

R

R

R

L

T

T

E

E

R

R

A

A

E

R

N

L

A

A

G

G

A

A

A

V

N

N

T

T

L

L

Y

K

L

K

D

D

E

-

G

G

R

E

L

I

T

L

A

G

D

D

N

N

T

T

D
|
D

G

G

C

E

G

G

I

L

V

V

R

Q

D

D

L

L

V

L

V

A

N

Q

H

Q

G

-

V

V

V

L

L

L

G

K

Q

G

A

A

R

T

I

I

L

L

V

L

L

I

G

G

A

A

G

G

A

A

V

A

R

R

G

G

V

V

L

L

G

K

P

P

I

L

L

L

A

D

E

Q

H

Q

P

P

A

A

A

S

I

I

T

T

I

V

A

T

N

N

R

R

T

T

V

F

S

A

K

K

A

A

D

E

A

Q

L

L

V

A

N

E

L

L

F

-

K

-

P

-

V

V

A

A

G

A

E

Y

T

G

A

E

L

V

S

K

A

A

C

Q

G

A

F

F

E

E

Q

Q

P

L

R

K

E

Q

P

S

F

Y

D

D

V

V

I

I

N

N

G

S

T

T

S

S

A

A

S

-

L

-

Q

-

G

-

D

-

L

-

P

-

L

I

S

D

P

P

E

V

V

I

L

F

G

S

E

S

Q

R

T

S

V

V

V

C

Y

Y

D

D

M

M

Y

Y

S

G

L

I

Q

-

T

-

F

-

N

-

Q

-

W

-

A

-

L

-

E

-

Q

-

G

-

A

-

Q

-

N

-

V

-

H

-

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

R

M

I

L

W

W

R

R

G

G

V

L

N

R

P

P

A

G

T

T

G

K

P

Q

V

I

I

L

E

R

E

E

L

L

R

R

N

K

D

N

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S16), S16 (= S18), K65 (= K67), D101 (= D104), Q217 (= Q250)

1nytA Shikimate dehydrogenase aroe complexed with NADP+ (see paper)
47% identity, 98% coverage: 6:275/275 of query aligns to 4:269/271 of 1nytA

query
sites
1nytA

Y

Y

A

A

V

V

V

F

G

G

N

N

P

P

I

I

S

A

H

H

S

S

K

K

S

S

P

P

R

F

I

I

H

H

S

Q

L

Q

F

F

A

A

S

Q

E

Q

T

L

G

N

E

I

P

E

V

H

E

P

Y

Y

T

G

A

R

I

V

Q

L

A

A

P

P

L

I

D

N

D

D

F

F

A

I

G

N

T

T

V

L

R

N

Q

A

F

F

E

S

R

A

G

G

K

K

G

G

L

A

N

N

V

V

T

T

V

V

P

P

F

F

K
|
K

E

E

D

E

A

A

W

F

K

A

L

R

A

A

D

D

R

E

R

L

T

T

E

E

R

R

A

A

E

A

N

L

A

A

G

G

A

A

A

V

N

N

T

T

L

L

Y

M

L

R

D

L

D

E

E

D

G

G

R

R

L

L

T

L

A

G

D

D

N

N

T

T

D
|
D

G

G

C

V

G

G

I

L

V

L

R

S

D

D

L

L

V

E

V

R

N

L

H

S

G

F

V

I

V

R

L

P

G

G

Q

-

A

L

R

R

I

I

L

L

V

L

L

I

G

G

A

A

G
|
G

A
|
A

V

S

R

R

G

G

V

V

L

L

G

L

P

P

I

L

L

L

A

S

E

L

H

D

P

-

A

C

A

A

I

V

T

T

I

I

A

T

N
|
N

R
|
R

T
|
T

V

V

S

S

K
x
R

A

A

D

E

A

E

L

L

V

A

N

K

L

L

F

F

K

A

P

H

V

T

A

G

G

S

E

I

T

Q

A

A

L

L

S

S

A

M

C

D

G

E

F

L

E

E

Q

G

P

-

R

-

E

H

P

E

F

F

D

D

V

L

I

I

N

N

G

A

T
|
T

S
|
S

A
x
S

S

G

L

I

Q

S

G

G

D

D

L

I

P

P

P

A

L

I

S

P

P

S

E

S

V

L

L

I

G

H

E

P

Q

G

T

I

V

Y

V

C

Y

Y

D

D

M
|
M

M

F

Y

Y

S

Q

L

K

Q

G

T

K

T

T

T

P

F

F

N

L

Q

A

W

W

A

C

L

E

E

Q

Q

R

G

G

A

S

Q

K

N

R

V

N

H

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

R

L

I

L

W

W

R

H

G

G

V

V

N

L

P

P

A

D

T

V

G

E

P

P

V

V

I

I

E

K

E

Q

L

L

R

Q

N

E

D

E

binding nadp nicotinamide-adenine-dinucleotide phosphate: K65 (= K67), D102 (= D104), G128 (= G131), G129 (= G132), A130 (= A133), N149 (= N153), R150 (= R154), T151 (= T155), R154 (≠ K158), T188 (= T194), S189 (= S195), S190 (≠ A196), M213 (= M219), G237 (= G243), M240 (= M246), L241 (= L247)

P15770 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Escherichia coli (strain K12) (see paper)
47% identity, 98% coverage: 6:275/275 of query aligns to 4:269/272 of P15770

query
sites
P15770

Y

Y

A

A

V

V

V

F

G

G

N

N

P

P

I

I

S

A

H

H

S

S

K

K

S

S

P

P

R

F

I

I

H

H

S

Q

L

Q

F

F

A

A

S

Q

E

Q

T

L

G

N

E

I

P

E

V

H

E

P

Y

Y

T

G

A

R

I

V

Q

L

A

A

P

P

L

I

D

N

D

D

F

F

A

I

G

N

T

T

V

L

R

N

Q

A

F

F

E

S

R

A

G

G

K

K

G

G

L

A

N

N

V

V

T

T

V

V

P

P

F

F

K

K

E

E

D

E

A

A

W

F

K

A

L

R

A

A

D

D

R

E

R

L

T

T

E

E

R

R

A

A

E

A

N

L

A

A

G

G

A

A

A

V

N

N

T

T

L

L

Y

M

L

R

D

L

D

E

E

D

G

G

R

R

L

L

T

L

A

G

D

D

N

N

T

T

D

D

G

G

C

V

G

G

I

L

V

L

R

S

D

D

L

L

V

E

V

R

N

L

H

S

G

F

V

I

V

R

L

P

G

G

Q

-

A

L

R

R

I

I

L

L

V

L

L

I

G
|
G

A
|
A

G
|
G

A
|
A

V

S

R

R

G

G

V

V

L

L

G

L

P

P

I

L

L

L

A

S

E

L

H

D

P

-

A

C

A

A

I

V

T

T

I

I

A

T

N
|
N

R
|
R

T
|
T

V
|
V

S
|
S

K
x
R

A

A

D

E

A

E

L

L

V

A

N

K

L

L

F

F

K

A

P

H

V

T

A

G

G

S

E

I

T

Q

A

A

L

L

S

S

A

M

C

D

G

E

F

L

E

E

Q

G

P

-

R

-

E

H

P

E

F

F

D

D

V

L

I

I

N

N

G

A

T

T

S

S

A

S

S

G

L

I

Q

S

G

G

D

D

L

I

P

P

P

A

L

I

S

P

P

S

E

S

V

L

L

I

G

H

E

P

Q

G

T

I

V

Y

V

C

Y

Y

D

D

M
|
M

M

F

Y

Y

S

Q

L

K

Q

G

T

K

T

T

T

P

F

F

N

L

Q

A

W

W

A

C

L

E

E

Q

Q

R

G

G

A

S

Q

K

N

R

V

N

H

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

R

L

I

L

W

W

R

H

G

G

V

V

N

L

P

P

A

D

T

V

G

E

P

P

V

V

I

I

E

K

E

Q

L

L

R

Q

N

E

D

E

GAGGA 126:130 (= GAGGA 129:133) binding NADP(+)
NRTVSR 149:154 (≠ NRTVSK 153:158) binding NADP(+)
M213 (= M219) binding NADP(+)
G237 (= G243) binding NADP(+)

P43876 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) (see paper)
45% identity, 99% coverage: 4:274/275 of query aligns to 2:269/272 of P43876

query
sites
P43876

D

D

L

L

Y

Y

A

A

V

V

V

W

G

G

N

N

P

P

I

I

S

A

H

Q

S

S

K

K

S

S

P

P

R

L

I

I

H

Q

S

N

L

K

F

L

A

A

S

A

E

Q

T

T

G

H

E

Q

P

T

V

M

E

E

Y

Y

T

I

A

A

I

K

Q

L

A

G

P

D

L

L

D

D

D

A

F

F

A

E

G

Q

T

Q

V

L

R

L

Q

A

F

F

E

E

R

E

G

G

G

A

K

K

G

G

L

C

N

N

V

I

T

T

V

S

P

P

F

F

K

K

E

E

D

R

A

A

W

Y

K

Q

L

L

A

A

D

D

R

E

R

Y

T

S

E

Q

R

R

A

A

E

K

N

L

A

A

G

E

A

A

A

C

N

N

T

T

L

L

Y

K

L

K

D

L

D

D

E

D

G

G

R

K

L

L

T

Y

A

A

D

D

N

N

T

T

D

D

G

G

C

I

G

G

I

L

V

V

R

T

D

D

L

L

V

Q

V

R

N

L

H

N

G

W

V

L

V

R

L

P

G

N

Q

Q

A

-

R

H

I

V

L

L

V

I

L

L

G
|
G

A
|
A

G
|
G

A
|
A

V

T

R

K

G

G

V

V

L

L

G

L

P

P

I

L

L

L

A

-

E

Q

H

A

P

Q

A

Q

A

N

I

I

T

V

I

L

A

A

N
|
N

R
|
R

T
|
T

V
x
F

S
|
S

K
|
K

A

T

D

K

A

E

L

L

V

A

N

E

L

R

F

F

K

Q

P

P

V

Y

A

G

G

N

E

I

T

Q

A

A

L

V

S

S

A

M

C

D

G

S

F

I

E

-

Q

-

P

P

R

L

E

Q

P

T

F

Y

D

D

V

L

I

V

I

I

N

N

G

A

T

T

S
|
S

A

A

S

G

L

L

Q

S

G

G

D

G

L

T

P

A

P

S

L

V

S

D

P

A

E

E

V

I

L

L

G

K

E

L

Q

G

T

S

V

A

V

F

Y

Y

D

D

M

M

M

Q

Y

Y

S

A

L

K

Q

G

T

T

T

D

T

T

-

P

F

F

N

I

Q

A

W

L

A

C

L

K

E

S

Q

L

G

G

A

L

Q

T

N

N

V

V

H

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

R

H

I

L

W

W

R

R

G

G

V

V

N

M

P

P

A

D

T

F

G

V

P

S

V

V

I

Y

E

E

E

Q

L

L

R

K

N

K

GAGGA 126:130 (= GAGGA 129:133) binding NADP(+)
NRTFSK 149:154 (≠ NRTVSK 153:158) binding NADP(+)
S189 (= S195) binding NADP(+)

1p77A Crystal structure of shikimate dehydrogenase (aroe) from haemophilus influenzae (see paper)
45% identity, 99% coverage: 4:274/275 of query aligns to 2:262/265 of 1p77A

query
sites
1p77A

D

D

L

L

Y

Y

A

A

V

V

V

W

G

G

N

N

P

P

I

I

S

A

H

Q

S

S

K

K

S

S

P

P

R

L

I

I

H

Q

S

N

L

K

F

L

A

A

S

A

E

Q

T

T

G

H

E

Q

P

T

V

M

E

E

Y

Y

T

I

A

A

I

K

Q

L

A

G

P

D

L

L

D

D

D

A

F

F

A

E

G

Q

T

Q

V

L

R

L

Q

A

F

F

E

E

R

E

G

G

G

A

K

K

G

G

L

C

N

N

V

I

T

T

V

S

P

P

F

F

K

K

E

E

D

R

A

A

W

Y

K

Q

L

L

A

A

D

D

R

E

R

Y

T

S

E

Q

R

R

A

A

E

K

N

L

A

A

G

E

A

A

A

C

N

N

T

T

L

L

Y

K

L

K

D

L

D

D

E

D

G

G

R

K

L

L

T

Y

A

A

D

D

N

N

T

T

D

D

G

G

C

I

G

G

I

L

V

V

R

T

D

D

L

L

V

Q

V

R

N

L

H

N

G

W

V

L

V

R

L

P

G

N

Q

Q

A

-

R

H

I

V

L

L

V

I

L

L

G
|
G

A

A

G
|
G

A
|
A

V

T

R

K

G

G

V

V

L

L

G

L

P

P

I

L

L

L

A

-

E

Q

H

A

P

Q

A

Q

A

N

I

I

T

V

I

L

A

A

N
|
N

R
|
R

T
|
T

V

F

S

S

K
|
K

A

T

D

K

A

E

L

L

V

A

N

E

L

R

F

F

K

Q

P

P

V

Y

A

G

G

N

E

I

T

Q

A

A

L

V

S

S

A

M

C

D

G

S

F

I

E

-

Q

-

P

P

R

L

E

Q

P

T

F

Y

D

D

V

L

I

V

I

I

N

N

G

A

T
|
T

S
|
S

A
|
A

S

S

L

V

Q

D

G

A

D

-

L

-

P

-

L

-

S

-

P

-

E

E

V

I

L

L

G

K

E

L

Q

G

T

S

V

A

V

F

Y

Y

D

D

M

M

M

Q

Y

Y

S

A

L

K

Q

G

T

T

T

D

T

T

-

P

F

F

N

I

Q

A

W

L

A

C

L

K

E

S

Q

L

G

G

A

L

Q

T

N

N

V

V

H

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

R

H

I

L

W

W

R

R

G

G

V

V

N

M

P

P

A

D

T

F

G

V

P

S

V

V

I

Y

E

E

E

Q

L

L

R

K

N

K

binding 2'-monophosphoadenosine-5'-diphosphate: G126 (= G129), G128 (= G131), G129 (= G132), A130 (= A133), N149 (= N153), R150 (= R154), T151 (= T155), K154 (= K158), T188 (= T194), S189 (= S195), A190 (= A196)

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
34% identity, 97% coverage: 6:273/275 of query aligns to 3:266/269 of Q5HNV1

query
sites
Q5HNV1

Y

F

A

A

V

V

V

I

G

G

N

N

P

P

I

I

S

S

H

H

S
|
S

K
x
L

S
|
S

P

P

R

L

I

M

H

H

S

H

L

A

F

N

A

F

S

Q

E

S

T

L

G

N

E

L

P

E

V

N

E

T

Y

Y

T

E

A

A

I

I

Q

N

A

V

P

P

L

V

D

N

D

Q

F

F

A

Q

G

D

T

I

V

K

R

K

Q

I

F

I

F

S

E

E

R

K

G

S

G

I

K

D

G

G

L

F

N

N

V

V

T
|
T

V

I

P

P

F

H

K

K

E

E

D

R

A

I

W

I

K

P

L

Y

A

L

D

D

R

D

R

I

T

N

E

E

R

Q

A

A

E

K

N

S

A

V

G

G

A

A

A

V

N
|
N

T

T

L

V

Y

L

L

V

D

K

D

D

E

-

G

G

R

K

L

W

T

I

A

G

D

Y

N

N

T

T

D
|
D

G

G

C

I

G

G

I

Y

V

V

R

N

D

G

L

L

V

K

-

Q

V

I

N

Y

H

E

G

G

V

I

V

-

L

-

G

E

Q

D

A

A

R

Y

I

I

L

L

V

I

L

L

G

G

A

A

G

G

A

A

V

S

R

K

G

G

V

I

L

A

G

N

P

E

I

L

L

Y

A

K

E

I

H

V

P

R

A

P

A

T

I

L

T

T

I

V

A

A

N

N

R

R

T

T

V

M

S

S

K

R

A

F

D

N

A

N

L

W

-

S

V

L

N

N

L

I

F

N

K

K

P

-

V

-

A

-

G

-

E

-

T

-

A

-

L

I

S

N

A

L

C

S

G

H

F

A

E

E

Q

S

P

H

R

L

E

D

P

E

F

F

D

D

V

I

I

I

N

N

G

T

T

T

S

P

A

A

S

G

L

M

Q

N

G

G

D

N

L

T

P

D

P

S

-

V

L

I

S

S

P

L

E

N

V

R

L

L

G

A

E

S

Q

H

T

T

V

L

V

V

Y

S

D

D

M

I

M

V

Y
|
Y

S

N

L

P

Q

Y

T

K

T

T

T

P

F

I

N

L

Q

I

W

E

A

A

L

-

E

E

Q

Q

G

R

A

G

Q

N

N

P

V

I

H

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

R

K

I

I

W

W

R

T

G

N

V

L

N

E

P

P

-

D

-

I

-

K

-

A

A

M

T

K

G

N

P

I

V

V

I

I

E

Q

E

K

L

L

R

K

SLS 13:15 (≠ SKS 16:18) binding shikimate
T60 (= T63) binding shikimate
N85 (= N88) binding shikimate
D100 (= D104) binding shikimate
Y211 (= Y221) 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 (= Q250) binding shikimate

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
34% identity, 97% coverage: 6:273/275 of query aligns to 3:257/258 of 3dooA

query
sites
3dooA

Y

F

A

A

V

V

V

I

G

G

N

N

P

P

I

I

S

S

H

H

S
|
S

K

L

S
|
S

P

P

R

L

I

M

H

H

S

H

L

A

F

N

A

F

S

Q

E

S

T

L

G

N

E

L

P

E

V

N

E

T

Y

Y

T

E

A

A

I

I

Q

N

A

V

P

P

L

V

D

N

D

Q

F

F

A

Q

G

D

T

I

V

K

R

K

Q

I

F

I

F

S

E

E

R

K

G

S

G

I

K

D

G

G

L

F

N
|
N

V

V

T
|
T

V

I

P

P

F

H

K
|
K

E

E

D

R

A

I

W

I

K

P

L

Y

A

L

D

D

R

D

R

I

T

N

E

E

R

Q

A

A

E

K

N

S

A

V

G

G

A

A

A

V

N
|
N

T

T

L

V

Y

L

L

V

D

K

D

D

E

-

G

G

R

K

L

W

T

I

A

G

D

Y

N

N

T

T

D
|
D

G

G

C

I

G

G

I

Y

V

V

R

N

D

G

L

L

V

K

-

Q

V

I

N

Y

H

E

G

G

V

I

V

-

L

-

G

E

Q

D

A

A

R

Y

I

I

L

L

V

I

L

L

G

G

A

A

G

G

A

A

V

S

R

K

G

G

V

I

L

A

G

N

P

E

I

L

L

Y

A

K

E

I

H

V

P

R

A

P

A

T

I

L

T

T

I

V

A

A

N

N

R

R

T

T

V

M

S

S

K

R

A

F

D

N

A

N

L

W

-

S

V

L

N

N

L

I

F

N

K

K

P

-

V

-

A

-

G

-

E

-

T

-

A

-

L

I

S

N

A

L

C

S

G

H

F

A

E

E

Q

S

P

H

R

L

E

D

P

E

F

F

D

D

V

I

I

I

N

N

G

T

T

T

S

-

A

-

S

-

L

-

Q

-

G

-

D

-

L

-

P

P

P

V

L

I

S

S

P

L

E

N

V

R

L

L

G

A

E

S

Q

H

T

T

V

L

V

V

Y

S

D

D

M

I

M

V

Y

Y

S

N

L

P

Q

Y

T

K

T

T

T

P

F

I

N

L

Q

I

W

E

A

A

L

-

E

E

Q

Q

G

R

A

G

Q

N

N

P

V

I

H

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

R

K

I

I

W

W

R

T

G

N

V

L

N

E

P

P

-

D

-

I

-

K

-

A

A

M

T

K

G

N

P

I

V

V

I

I

E

Q

E

K

L

L

R

K

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S13 (= S16), S15 (= S18), N58 (= N61), T60 (= T63), K64 (= K67), N85 (= N88), D100 (= D104), F227 (≠ L247), Q230 (= Q250)

3phiA Shikimate 5-dehydrogenase (aroe) from helicobacter pylori in complex with shikimate and NADPH
34% identity, 98% coverage: 6:274/275 of query aligns to 6:258/259 of 3phiA

query
sites
3phiA

Y

F

A

G

V

V

V

F

G

G

N

N

P

P

I

I

S

K

H

H

S
|
S

K

K

S
|
S

P

P

R

L

I

I

H

H

S

N

-

A

-

C

-

F

-

L

L

T

F

F

A

Q

S

K

E

E

T

L

G

R

E

F

P

L

V

G

E

H

Y

Y

T

H

A

P

I

I

Q

L

A

L

P

P

L

L

D

E

D

S

F

H

A

I

G

K

T

S

V

-

R

-

Q

E

F

F

F

L

E

H

R

L

G

G

G

L

K

S

G

G

L

A

N
|
N

V

V

T

T

V
x
L

P
|
P

F

F

K
|
K

E

E

D

R

A

A

W

F

K

Q

L

V

A

C

D

D

R

K

R

I

T

K

E

G

R

I

A

A

E

L

N

E

A

C

G

G

A

A

A

V

N
|
N

T

T

L

L

Y

V

L

L

D

E

D

N

E

D

G

-

R

E

L

L

T

V

A

G

D

Y

N

N

T

T

D
|
D

G

A

C

L

G

G

I

F

V

Y

R

L

D

S

L

L

V

K

V

Y

N

Q

H

N

G

A

V

-

L

-

G

-

Q

-

A

-

R

-

I

-

L

L

V

I

L

L

G

G

A

A

G
|
G

A
x
S

V

A

R

K

G

A

V

-

L

L

G

A

P

C

I

E

L

L

A

K

E

K

H

Q

P

G

A

L

A

Q

I

V

T

S

I

V

A

L

N

N

R
|
R

T

S

V

S

S

R

K

G

A

L

D

D

A

-

L

-

V

-

N

-

L

F

F

F

K

Q

P

R

V

L

A

G

G

C

E

D

T

-

A

-

L

-

S

-

A

-

C

C

G

F

F

M

E

E

Q

P

P

P

R

K

E

S

P

A

F

F

D

D

V

L

I

I

N

N

G

A

T
|
T

S
|
S

A
|
A

S

S

L
|
L

Q

H

G

N

D

E

L

L

P

-

P
|
P

L

L

S

N

P

K

E

E

V

V

L

L

-

K

-

G

-

Y

-

F

G

K

E

E

Q

G

T

K

V

L

V

A

Y

Y

D

D

M
x
L

M

A

Y
|
Y

S

G

L

F

Q

-

T

L

T

T

T

P

F

F

N

L

Q

S

W

L

A

A

L

K

E

E

Q

L

G

K

A

T

Q

P

N

-

V

F

H

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

R

E

I

K

W

F

R

S

G

A

V

S

N

Q

P

I

A

P

T

Y

G

S

P

K

V

A

I

F

E

E

E

V

L

M

R

R

N

S

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: L66 (≠ V64), P67 (= P65), K69 (= K67), G124 (= G131), G125 (= G132), S126 (≠ A133), R146 (= R154), T177 (= T194), S178 (= S195), A179 (= A196), L181 (= L198), P186 (= P204), L205 (≠ M219), Y207 (= Y221), G227 (= G243), M230 (= M246), L231 (= L247)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S16 (= S16), S18 (= S18), N63 (= N61), K69 (= K67), N90 (= N88), D105 (= D104), Y207 (= Y221), Q234 (= Q250)

P56119 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori)
34% identity, 98% coverage: 6:274/275 of query aligns to 6:261/263 of P56119

query
sites
P56119

Y

F

A

G

V

V

V

F

G

G

N

N

P

P

I

I

S

K

H

H

S
|
S

K
|
K

S
|
S

P

P

R

L

I

I

H

H

S

N

-

A

-

C

-

F

-

L

L

T

F

F

A

Q

S

K

E

E

T

L

G

R

E

F

P

L

V

G

E

H

Y

Y

T

H

A

P

I

I

Q

L

A

L

P

P

L

L

D

E

D

S

F

H

A

I

G

K

T

S

V

-

R

-

Q

E

F

F

F

L

E

H

R

L

G

G

G

L

K

S

G

G

L

A

N

N

V

V

T
|
T

V

L

P

P

F

F

K

K

E

E

D

R

A

A

W

F

K

Q

L

V

A

C

D

D

R

K

R

I

T

K

E

G

R

I

A

A

E

L

N

E

A

C

G

G

A

A

A

V

N
|
N

T

T

L

L

Y

V

L

L

D

E

D

N

E

D

G

-

R

E

L

L

T

V

A

G

D

Y

N

N

T

T

D
|
D

G

A

C

L

G

G

I

F

V

Y

R

L

D

S

L

L

V

K

V

Q

N

K

H

N

G

-

V

-

L

-

G

-

Q

Y

A

Q

R

N

I

A

L

L

V

I

L

L

G
|
G

A
|
A

G
|
G

A
x
S

V

A

R

K

G

A

V

-

L

L

G

A

P

C

I

E

L

L

A

K

E

K

H

Q

P

G

A

L

A

Q

I

V

T

S

I

V

A

L

N

N

R

R

T

S

V

S

S

R

K

G

A

L

D

D

A

-

L

-

V

-

N

-

L

F

F

F

K

Q

P

R

V

L

A

G

G

C

E

D

T

-

A

-

L

-

S

-

A

-

C

C

G

F

F

M

E

E

Q

P

P

P

R

K

E

S

P

A

F

F

D

D

V

L

I

I

N

N

G

A

T

T

S
|
S

A

A

S

S

L

L

Q

H

G

N

D

E

L

L

P

-

P

P

L

L

S

N

P

K

E

E

V

V

L

L

-

K

-

G

-

Y

-

F

G

K

E

E

Q

G

T

K

V

L

V

A

Y

Y

D

D

M

L

M

A

Y
|
Y

S

G

L

F

Q

-

T

L

T

T

T

P

F

F

N

L

Q

S

W

L

A

A

L

K

E

E

Q

L

G

K

A

T

Q

P

N

-

V

F

H

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

R

E

I

K

W

F

R

S

G

A

V

S

N

Q

P

I

A

P

T

Y

G

S

P

K

V

A

I

F

E

E

E

V

L

M

R

R

N

S

SKS 16:18 (= SKS 16:18) binding shikimate
T65 (= T63) binding shikimate
N90 (= N88) binding shikimate
D105 (= D104) binding shikimate
GAGGS 125:129 (≠ GAGGA 129:133) binding NADP(+)
S181 (= S195) binding NADP(+)
Y210 (= Y221) binding shikimate
G230 (= G243) binding NADP(+)
Q237 (= Q250) binding shikimate

4fosA Crystal structure of shikimate dehydrogenase (aroe) q237a mutant from helicobacter pylori in complex with shikimate
33% identity, 98% coverage: 6:274/275 of query aligns to 6:261/263 of 4fosA

query
sites
4fosA

Y

F

A

G

V

V

V

F

G

G

N

N

P

P

I

I

S

K

H

H

S
|
S

K

K

S
|
S

P

P

R

L

I

I

H

H

S

N

-

A

-

C

-

F

-

L

L

T

F

F

A

Q

S

K

E

E

T

L

G

R

E

F

P

L

V

G

E

H

Y

Y

T

H

A

P

I

I

Q

L

A

L

P

P

L

L

D

E

D

S

F

H

A

I

G

K

T

S

V

-

R

-

Q

E

F

F

F

L

E

H

R

L

G

G

G

L

K

S

G

G

L

A

N
|
N

V
|
V

T
|
T

V

L

P

P

F

F

K
|
K

E

E

D

R

A

A

W

F

K

Q

L

V

A

C

D

D

R

K

R

I

T

K

E

G

R

I

A

A

E

L

N

E

A

C

G

G

A

A

A

V

N
|
N

T

T

L

L

Y

V

L

L

D

E

D

N

E

D

G

-

R

E

L

L

T

V

A

G

D

Y

N

N

T

T

D
|
D

G

A

C

L

G

G

I

F

V

Y

R

L

D

S

L

L

V

K

V

Q

N

K

H

N

G

-

V

-

L

-

G

-

Q

Y

A

Q

R

N

I

A

L

L

V

I

L

L

G

G

A

A

G

G

A

S

V

A

R

K

G

A

V

-

L

L

G

A

P

C

I

E

L

L

A

K

E

K

H

Q

P

G

A

L

A

Q

I

V

T

S

I

V

A

L

N

N

R

R

T

S

V

S

S

R

K

G

A

L

D

D

A

-

L

-

V

-

N

-

L

F

F

F

K

Q

P

R

V

L

A

G

G

C

E

D

T

-

A

-

L

-

S

-

A

-

C

C

G

F

F

M

E

E

Q

P

P

P

R

K

E

S

P

A

F

F

D

D

V

L

I

I

N

N

G

A

T

T

S

S

A

A

S

S

L

L

Q

H

G

N

D

E

L

L

P

-

P

P

L

L

S

N

P

K

E

E

V

V

L

L

-

K

-

G

-

Y

-

F

G

K

E

E

Q

G

T

K

V

L

V

A

Y

Y

D

D

M

L

M

A

Y
|
Y

S

G

L

F

Q

-

T

L

T

T

T

P

F

F

N

L

Q

S

W

L

A

A

L

K

E

E

Q

L

G

K

A

T

Q

P

N

-

V

F

H

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

R

E

I

K

W

F

R

S

G

A

V

S

N

Q

P

I

A

P

T

Y

G

S

P

K

V

A

I

F

E

E

E

V

L

M

R

R

N

S

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S16 (= S16), S18 (= S18), N63 (= N61), V64 (= V62), T65 (= T63), K69 (= K67), N90 (= N88), D105 (= D104), Y210 (= Y221), L234 (= L247)

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
33% identity, 93% coverage: 5:260/275 of query aligns to 8:252/267 of 2hk9B

query
sites
2hk9B

L

L

Y

Y

A

G

V

V

V

I

G

G

N

F

P

P

I

V

S

K

H

H

S
|
S

K

L

S
|
S

P

P

R

V

I

F

H

Q

S

N

L

A

F

L

A

I

S

R

E

Y

T

A

G

G

E

L

P

N

V

A

E

V

Y

Y

T

L

A

A

I

F

Q

E

A

I

P

N

L

P

D

E

F

L

A

K

G

K

T

A

V

F

R

E

Q

G

F

F

F

K

E

A

R

L

G

K

G

V

K

K

G

G

L

I

N
|
N

V

V

T
|
T

V
|
V

P

P

F

F

K
|
K

E

E

D

E

A

I

W

I

K

P

L

L

A

L

D

D

R

Y

R

V

T

E

E

D

R

T

A

A

E

K

N

E

A

I

G

G

A

A

A

V

N
|
N

T

T

L

V

Y

K

L

F

D

E

D

N

E

-

G

G

R

K

L

A

T

Y

A

G

D

Y

N

N

T

T

D
|
D

G

W

C

I

G

G

I

F

V

L

R

K

D

S

L

L

V

-

N

-

H

K

G

S

V

L

V

I

-

P

-

E

L

V

G

K

Q

E

A

K

R

S

I

I

L

L

V

V

L

L

G
|
G

A

A

G

G

G
|
G

A
|
A

V

S

R

R

G

A

V

V

L

I

G

Y

P

A

I

L

L

V

A

K

E

E

H

G

P

-

A

A

A

K

I

V

T

F

I

L

A

W

N
|
N

R
|
R

T
|
T

V

K

S

E

K
|
K

A

A

D

I

A

K

L

L

V

A

N

Q

L

K

F

F

K

-

P

-

V

-

A

-

G

-

E

-

T

-

A

P

L

L

S

E

A

V

C

V

G

N

F

-

E

-

Q

S

P

P

R

E

E

E

P

V

F

I

D

D

-

K

-

V

-

Q

V

V

I

I

I

V

N

N

G

T

T
|
T

S
|
S

A
x
V

S

G

L

L

Q

K

G

D

D

E

L

D

P

P

P

E

L

I

-

F

S

N

P

Y

E

D

V

L

L

I

G

K

E

K

Q

D

T

H

V

V

Y

V

D

D

M
x
I

M

I

Y
|
Y

S

-

L

-

Q

K

T

E

T

T

T

K

F

L

N

L

Q

K

W

K

A

A

L

K

E

E

Q

K

G

G

A

A

Q

K

N

-

V

L

H

L

D

D

G

G

L

L

G

P

M
|
M

L
|
L

V

L

E

W

Q
|
Q

A

G

A

I

E

E

S

A

F

F

R

K

I

I

W

W

R

N

G

G

binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (= V64), G130 (= G129), G133 (= G132), A134 (= A133), N153 (= N153), R154 (= R154), T155 (= T155), K158 (= K158), T188 (= T194), S189 (= S195), V190 (≠ A196), I214 (≠ M219), M238 (= M246), L239 (= L247)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S16), S21 (= S18), N64 (= N61), T66 (= T63), K70 (= K67), N91 (= N88), D106 (= D104), Y216 (= Y221), L239 (= L247), Q242 (= Q250)

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
34% identity, 93% coverage: 5:260/275 of query aligns to 8:252/269 of O67049

query
sites
O67049

L

L

Y

Y

A

G

V

V

V

I

G

G

N

F

P

P

I

V

S

K

H

H

S
|
S

K
x
L

S
|
S

P

P

R

V

I

F

H

Q

S

N

L

A

F

L

A

I

S

R

E

Y

T

A

G

G

E

L

P

N

V

A

E

V

Y

Y

T

L

A

A

I

F

Q

E

A

I

P

N

L

P

D

E

F

L

A

K

G

K

T

A

V

F

R

E

Q

G

F

F

F

K

E

A

R

L

G

K

G

V

K

K

G

G

L

I

N

N

V

V

T

T

V

V

P

P

F

F

K

K

E

E

D

E

A

I

W

I

K

P

L

L

A

L

D

D

R

Y

R

V

T

E

E
x
D

R

T

A

A

E

K

N

E

A

I

G

G

A

A

A

V

N
|
N

T

T

L

V

Y

K

L

F

D

E

D

N

E

-

G

G

R

K

L

A

T

Y

A

G

D

Y

N

N

T

T

D
|
D

G

W

C

I

G

G

I

F

V

L

R

K

D

S

L

L

V

-

N

-

H

K

G

S

V

L

V

I

-

P

-

E

L

V

G

K

Q

E

A

K

R

S

I

I

L

L

V

V

L

L

G
|
G

A
|
A

G
|
G

A
|
A

V

S

R

R

G

A

V

V

L

I

G

Y

P

A

I

L

L

V

A

K

E

E

H

G

P

-

A

A

A

K

I

V

T

F

I

L

A

W

N

N

R

R

T

T

V

K

S

E

K

K

A

A

D

I

A

K

L

L

V

A

N

Q

L

K

F

F

K

-

P

P

V

L

A

-

G

-

E

E

T

V

A

V

L

N

S

S

A

P

C

-

G

-

F

-

E

E

Q

E

P

V

R

I

E

D

P

K

F

V

D

Q

V

V

I

I

I

V

N

N

G

T

T

T

S

S

A

V

S

G

L

L

Q

K

G

D

D

K

L

D

P

P

P

E

L

I

-

F

S

N

P

Y

E

D

V

L

L

I

G

K

E

K

Q

D

T

H

V

V

Y

V

D

D

M
x
I

M

I

Y
|
Y

S

-

L

-

Q

K

T

E

T

T

T

K

F

L

N

L

Q

K

W

K

A

A

L

K

E

E

Q

K

G

G

A

A

Q

K

N

-

V

L

H

F

D

D

G
|
G

L

L

G

P

M

M

L

L

V

L

E

W

Q
|
Q

A

G

A

I

E

E

S

A

F

F

R

K

I

I

W

W

R

N

G

G

SLS 19:21 (≠ SKS 16:18) binding shikimate
D82 (≠ E79) binding NADP(+)
N91 (= N88) binding shikimate
D106 (= D104) binding shikimate
GAGGA 130:134 (= GAGGA 129:133) binding NADP(+)
I214 (≠ M219) binding NADP(+)
Y216 (= Y221) binding shikimate
G235 (= G243) binding NADP(+)
Q242 (= Q250) binding shikimate

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
34% identity, 93% coverage: 5:260/275 of query aligns to 8:252/269 of 2hk9A

query
sites
2hk9A

L

L

Y

Y

A

G

V

V

V

I

G

G

N

F

P

P

I

V

S

K

H

H

S
|
S

K

L

S
|
S

P

P

R

V

I

F

H

Q

S

N

L

A

F

L

A

I

S

R

E

Y

T

A

G

G

E

L

P

N

V

A

E

V

Y

Y

T

L

A

A

I

F

Q

E

A

I

P

N

L

P

D

E

F

L

A

K

G

K

T

A

V

F

R

E

Q

G

F

F

F

K

E

A

R

L

G

K

G

V

K

K

G

G

L

I

N
|
N

V

V

T

T

V
|
V

P

P

F

F

K
|
K

E

E

D

E

A

I

W

I

K

P

L

L

A

L

D

D

R

Y

R

V

T

E

E

D

R

T

A

A

E

K

N

E

A

I

G

G

A

A

A

V

N
|
N

T

T

L

V

Y

K

L

F

D

E

D

N

E

-

G

G

R

K

L

A

T

Y

A

G

D

Y

N

N

T

T

D
|
D

G

W

C

I

G

G

I

F

V

L

R

K

D

S

L

L

V

-

N

-

H

K

G

S

V

L

V

I

-

P

-

E

L

V

G

K

Q

E

A

K

R

S

I

I

L

L

V

V

L

L

G

G

A

A

G
|
G

A
|
A

V

S

R

R

G

A

V

V

L

I

G

Y

P

A

I

L

L

V

A

K

E

E

H

G

P

-

A

A

A

K

I

V

T

F

I

L

A

W

N
|
N

R
|
R

T
|
T

V

K

S

E

K

K

A

A

D

I

A

K

L

L

V

A

N

Q

L

K

F

F

K

-

P

P

V

L

A

-

G

-

E

E

T

V

A

V

L

N

S

S

A

P

C

-

G

-

F

-

E

E

Q

E

P

V

R

I

E

D

P

K

F

V

D

Q

V

V

I

I

I

V

N

N

G

T

T
|
T

S
|
S

A
x
V

S

G

L

L

Q

K

G

D

D

E

L

D

P

P

P

E

L

I

-

F

S

N

P

Y

E

D

V

L

L

I

G

K

E

K

Q

D

T

H

V

V

Y

V

D

D

M

I

Y
|
Y

S

-

L

-

Q

K

T

E

T

T

T

K

F

L

N

L

Q

K

W

K

A

A

L

K

E

E

Q

K

G

G

A

A

Q

K

N

-

V

L

H

L

D

D

G

G

L

L

G

P

M

M

L
|
L

V

L

E

W

Q
|
Q

A

G

A

I

E

E

S

A

F

F

R

K

I

I

W

W

R

N

G

G

binding 2'-monophosphoadenosine-5'-diphosphate: V67 (= V64), G132 (= G131), G133 (= G132), A134 (= A133), N153 (= N153), R154 (= R154), T155 (= T155), T188 (= T194), S189 (= S195), V190 (≠ A196)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S16), S21 (= S18), N64 (= N61), K70 (= K67), N91 (= N88), D106 (= D104), Y216 (= Y221), L239 (= L247), Q242 (= Q250)

3phjA Shikimate 5-dehydrogenase (aroe) from helicobacter pylori in complex with 3-dehydroshikimate
32% identity, 98% coverage: 6:274/275 of query aligns to 6:253/255 of 3phjA

query
sites
3phjA

Y

F

A

G

V

V

V

F

G

G

N

N

P

P

I

I

S

K

H

H

S
|
S

K

K

S
|
S

P

P

R

L

I

I

H

H

S

N

-

A

-

C

-

F

-

L

L

T

F

F

A

Q

S

K

E

E

T

L

G

R

E

F

P

L

V

G

E

H

Y

Y

T

H

A

P

I

I

Q

L

A

L

P

P

L

L

D

E

D

S

F

H

A

I

G

K

T

S

V

-

R

-

Q

E

F

F

F

L

E

H

R

L

G

G

G

L

K

S

G

G

L

A

N
|
N

V

V

T

T

V

L

P

P

F

F

K
|
K

E

E

D

R

A

A

W

F

K

Q

L

V

A

C