SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_057508550.1 NCBI__GCF_001431535.1:WP_057508550.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

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

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

Q9KVT3 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
42% identity, 97% coverage: 3:273/280 of query aligns to 6:273/278 of Q9KVT3

query
sites
Q9KVT3

D

D

R

Q

Y

Y

A

A

V

V

F

F

G

G

H

N

P

P

I

I

A

N

H

H

S
|
S

L
x
K

S
|
S

P

P

D

F

I

I

H

H

A

T

A

L

F

F

G

A

R

R

Q

Q

E

T

G

Q

I

Q

A

S

V

M

D

I

Y

Y

R

T

A

A

I

Q

D

C

A

V

T

P

P

V

D

D

G

G

F

F

L

T

A

E

A

A

L

A

E

K

A

H

F

F

A

F

A

A

E

Q

G

G

R

R

G

G

A

C

N

N

V

V

T

T

L

V

P

P

H

F

K

K

E

E

A

E

A

A

F

Y

A

R

L

F

C

A

T

D

T

R

R

L

T

T

A

E

R

R

A

A

T

R

R

L

A

A

G

G

S

A

V

V

N
|
N

T

T

L

L

L

K

R

K

K

L

G

D

D

D

-

G

R

E

W

I

H

L

G

G

D

D

T

N

T

T

D
|
D

G

G

A

E

G

G

L

L

V

V

R

Q

D

D

L

L

T

L

D

A

R

Q

H

Q

G

V

Q

L

D

-

L

L

R

K

G

G

R

A

R

T

V

I

L

L

L

I

G

G

A

A

G

G

S

A

A

A

R

R

S

G

V

V

A

L

P

K

S

P

L

L

D

D

A

Q

G

Q

I

P

R

A

E

S

L

I

V

T

V

V

V

T

N
|
N

R
|
R

T
|
T

P
x
F

E
x
A

R
x
K

A

A

D

E

E

Q

L

L

I

A

D

E

A

L

M

V

G

A

E

A

P

Y

G

G

R

E

A

V

L

K

S

A

R

Q

Y

A

W

F

D

E

D

Q

L

L

H

K

D

Q

L

-

G

-

D

S

F

Y

E

D

L

V

I

I

V

I

N

N

A

S

T

T

S

S

A

A

G

S

R

L

D

D

P

G

S

E

A

L

S

P

F

A

K

I

L

D

P

P

L

V

S

-

L

I

V

F

N

S

S

S

M

R

T

S

T

V

A

C

V

Y

D

D

L

M

N

M

Y

Y

G

G

D

K

A

G

A

Y

I

T

A

V

F

F

L

N

A

Q

W

W

A

A

R

R

A

Q

A

H

E

G

C

C

R

A

N

Q

T

A

V

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

Q

M

Q

L

W

W

H

R

E

G

V

L

R

R

P

P

D

G

T

T

D

K

A

Q

V

I

Y

L

A

R

G

E

L

L

R

R

G

K

N

N

SKS 18:20 (≠ SLS 15:17) binding shikimate
N90 (= N87) binding shikimate
D106 (= D102) binding shikimate
NRTFAK 154:159 (≠ NRTPER 151:156) binding NADP(+)
Q248 (= Q248) 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
42% identity, 97% coverage: 3:273/280 of query aligns to 2:269/272 of 3pgjA

query
sites
3pgjA

D

D

R

Q

Y

Y

A

A

V

V

F

F

G

G

H

N

P

P

I

I

A

N

H

H

S
|
S

L

K

S
|
S

P

P

D

F

I

I

H

H

A

T

A

L

F

F

G

A

R

R

Q

Q

E

T

G

Q

I

Q

A

S

V

M

D

I

Y

Y

R

T

A

A

I

Q

D

C

A

V

T

P

P

V

D

D

G

G

F

F

L

T

A

E

A

A

L

A

E

K

A

H

F

F

A

F

A

A

E

Q

G

G

R

R

G

G

A

C

N
|
N

V

V

T
|
T

L

V

P

P

H

F

K
|
K

E

E

A

E

A

A

F

Y

A

R

L

F

C

A

T

D

T

R

R

L

T

T

A

E

R

R

A

A

T

R

R

L

A

A

G

G

S

A

V

V

N
|
N

T

T

L

L

L

K

R

K

K

L

G

D

D

D

-

G

R

E

W

I

H

L

G

G

D

D

T

N

T

T

D
|
D

G

G

A

E

G

G

L

L

V

V

R

Q

D

D

L

L

T

L

D

A

R

Q

H

Q

G

V

Q

L

D

-

L

L

R

K

G

G

R

A

R

T

V

I

L

L

L

I

G

G

A

A

G

G

S

A

A

A

R

R

S

G

V

V

A

L

P

K

S

P

L

L

D

D

A

Q

G

Q

I

P

R

A

E

S

L

I

V

T

V

V

V

T

N

N

R

R

T

T

P

F

E

A

R

K

A

A

D

E

E

Q

L

L

I

A

D

E

A

L

M

V

G

A

E

A

P

Y

G

G

R

E

A

V

L

K

S

A

R

Q

Y

A

W

F

D

E

D

Q

L

L

H

K

D

Q

L

-

G

-

D

S

F

Y

E

D

L

V

I

I

V

I

N

N

A

S

T

T

S

S

A

A

G

S

R

L

D

D

P

G

S

E

A

L

S

P

F

A

K

I

L

D

P

P

L

V

S

-

L

I

V

F

N

S

S

S

M

R

T

S

T

V

A

C

V

Y

D

D

L

M

N

M

Y

Y

G

G

D

K

A

G

A

Y

I

T

A

V

F

F

L

N

A

Q

W

W

A

A

R

R

A

Q

A

H

E

G

C

C

R

A

N

Q

T

A

V

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

Q

M

Q

L

W

W

H

R

E

G

V

L

R

R

P

P

D

G

T

T

D

K

A

Q

V

I

Y

L

A

R

G

E

L

L

R

R

G

K

N

N

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S15), S16 (= S17), N59 (= N60), T61 (= T62), K65 (= K66), N86 (= N87), D102 (= D102), Q244 (= Q248)

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
42% identity, 97% coverage: 3:273/280 of query aligns to 2:265/268 of 3sefA

query
sites
3sefA

D

D

R

Q

Y

Y

A

A

V

V

F

F

G

G

H

N

P

P

I

-

A

-

H

-

S

S

L

K

S

S

P

P

D

F

I

I

H

H

A

T

A

L

F

F

G

A

R

R

Q

Q

E

T

G

Q

I

Q

A

S

V

M

D

I

Y

Y

R

T

A

A

I

-

D

Q

A

C

T

V

P

P

D

D

G

G

F

F

L

T

A

E

A

A

L

A

E

K

A

H

F

F

A

F

A

A

E

Q

G

G

R

R

G

G

A

C

N

N

V

V

T

T

L

V

P

P

H

F

K

K

E

E

A

E

A

A

F

Y

A

R

L

F

C

A

T

D

T

R

R

L

T

T

A

E

R

R

A

A

T

R

R

L

A

A

G

G

S

A

V

V

N

N

T

T

L

L

L

K

R

K

K

L

G

D

D

D

-

G

R

E

W

I

H

L

G

G

D

D

T

N

T

T

D

D

G

G

A

E

G

G

L

L

V

V

R

Q

D

D

L

L

T

L

D

A

R

Q

H

Q

G

V

Q

L

D

-

L

L

R

K

G

G

R

A

R

T

V

I

L

L

L

I

G

G

A

A

G
|
G

G

G

S
x
A

A

A

R

R

S

G

V

V

A

L

P

K

S

P

L

L

D

D

A

Q

G

Q

I

P

R

A

E

S

L

I

V

T

V

V

V

T

N
|
N

R
|
R

T
|
T

P

F

E

A

R

K

A

A

D

E

E

Q

L

L

I

A

D

E

A

L

M

V

G

A

E

A

P

Y

G

G

R

E

A

V

L

K

S

A

R

Q

Y

A

W

F

D

E

D

Q

L

L

H

K

D

Q

L

-

G

-

D

S

F

Y

E

D

L

V

I

I

V

I

N

N

A
x
S

T
|
T

S
|
S

A
|
A

G

S

R

L

D

D

P

G

S

E

A

L

S

P

F

A

K

I

L

D

P

P

L

V

S

-

L

I

V

F

N

S

S

S

M

R

T

S

T

V

A

C

V

Y

D

D

L

M

N
x
M

Y

Y

G

G

D

K

A

G

A

Y

I

T

A

V

F

F

L

N

A

Q

W

W

A

A

R

R

A

Q

A

H

E

G

C

C

R

A

N

Q

T

A

V

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

Q

M

Q

L

W

W

H

R

E

G

V

L

R

R

P

P

D

G

T

T

D

K

A

Q

V

I

Y

L

A

R

G

E

L

L

R

R

G

K

N

N

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G124 (= G129), A126 (≠ S131), N146 (= N151), R147 (= R152), T148 (= T153), S183 (≠ A190), T184 (= T191), S185 (= S192), A186 (= A193), M210 (≠ N218)

1nytA Shikimate dehydrogenase aroe complexed with NADP+ (see paper)
43% identity, 96% coverage: 3:271/280 of query aligns to 2:267/271 of 1nytA

query
sites
1nytA

D

E

R

T

Y

Y

A

A

V

V

F

F

G

G

H

N

P

P

I

I

A

A

H

H

S

S

L

K

S

S

P

P

D

F

I

I

H

H

A

Q

F

F

G

A

R

Q

Q

Q

E

L

G

N

I

I

A

E

V

H

D

P

Y

Y

R

G

A

R

I

V

D

L

A

A

T

P

P

I

D

N

G

D

F

F

L

I

A

N

A

T

L

L

E

N

A

A

F

F

A

F

A

S

E

A

G

G

R

K

G

G

A

A

N

N

V

V

T

T

L

V

P

P

H

F

K
|
K

E

E

A

E

A

A

F

F

A

A

L

R

C

A

T

D

T

E

R

L

T

T

A

E

R

R

A

A

T

A

R

L

A

A

G

G

S

A

V

V

N

N

T

T

L

L

L

M

R

R

K

L

G

E

D

D

-

G

R

R

W

L

H

L

G

G

D

D

T

N

T

T

D
|
D

G

G

A

V

G

G

L

L

V

L

R

S

D

D

L

L

T

-

D

E

R

R

H

L

G

S

Q

F

D

I

L

R

R

P

G

G

R

L

R

R

V

I

L

L

L

I

G

G

A

A

G
|
G

S
x
A

A

S

R

R

S

G

V

V

A

L

P

L

S

P

L

L

D

S

A

L

G

D

I

C

R

-

E

A

L

V

V

T

V

I

V

T

N
|
N

R
|
R

T
|
T

P

V

E

S

R
|
R

A

A

D

E

E

E

L

L

I

A

D

K

A

L

M

F

G

A

E

H

P

T

G

G

R

S

A

I

L

Q

S

A

R

L

Y

S

W

M

D

D

D

E

L

L

H

E

D

G

L

-

G

H

D

E

F

F

E

D

L

L

I

I

V

I

N

N

A

A

T
|
T

S
|
S

A
x
S

G

G

R

I

D

S

P

G

S

D

A

I

S

P

F

-

K

A

L

I

P

P

L

S

S

S

L

L

V

I

N

H

S

P

M

G

T

I

T

Y

A

C

V

Y

D

D

L
x
M

N

F

Y

Y

G

Q

D

K

A

G

A

K

I

T

A

P

F

F

L

L

A

A

W

W

A

C

R

E

A

Q

A

R

E

G

C

S

R

K

N

R

T

N

V

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

Q

L

W

W

H

H

E

G

V

V

R

L

P

P

D

D

T

V

D

E

A

P

V

V

Y

I

A

K

G

Q

L

L

R

Q

binding nadp nicotinamide-adenine-dinucleotide phosphate: K65 (= K66), D102 (= D102), G128 (= G129), G129 (= G130), A130 (≠ S131), N149 (= N151), R150 (= R152), T151 (= T153), R154 (= R156), T188 (= T191), S189 (= S192), S190 (≠ A193), M213 (≠ L217), G237 (= G241), M240 (= M244), L241 (= L245)

P15770 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Escherichia coli (strain K12) (see paper)
43% identity, 96% coverage: 3:271/280 of query aligns to 2:267/272 of P15770

query
sites
P15770

D

E

R

T

Y

Y

A

A

V

V

F

F

G

G

H

N

P

P

I

I

A

A

H

H

S

S

L

K

S

S

P

P

D

F

I

I

H

H

A

Q

F

F

G

A

R

Q

Q

Q

E

L

G

N

I

I

A

E

V

H

D

P

Y

Y

R

G

A

R

I

V

D

L

A

A

T

P

P

I

D

N

G

D

F

F

L

I

A

N

A

T

L

L

E

N

A

A

F

F

A

F

A

S

E

A

G

G

R

K

G

G

A

A

N

N

V

V

T

T

L

V

P

P

H

F

K

K

E

E

A

E

A

A

F

F

A

A

L

R

C

A

T

D

T

E

R

L

T

T

A

E

R

R

A

A

T

A

R

L

A

A

G

G

S

A

V

V

N

N

T

T

L

L

L

M

R

R

K

L

G

E

D

D

-

G

R

R

W

L

H

L

G

G

D

D

T

N

T

T

D

D

G

G

A

V

G

G

L

L

V

L

R

S

D

D

L

L

T

-

D

E

R

R

H

L

G

S

Q

F

D

I

L

R

R

P

G

G

R

L

R

R

V

I

L

L

L

I

G
|
G

A
|
A

G
|
G

S
x
A

A

S

R

R

S

G

V

V

A

L

P

L

S

P

L

L

D

S

A

L

G

D

I

C

R

-

E

A

L

V

V

T

V

I

V

T

N
|
N

R
|
R

T
|
T

P
x
V

E
x
S

R
|
R

A

A

D

E

E

E

L

L

I

A

D

K

A

L

M

F

G

A

E

H

P

T

G

G

R

S

A

I

L

Q

S

A

R

L

Y

S

W

M

D

D

D

E

L

L

H

E

D

G

L

-

G

H

D

E

F

F

E

D

L

L

I

I

V

I

N

N

A

A

T

T

S

S

A

S

G

G

R

I

D

S

P

G

S

D

A

I

S

P

F

-

K

A

L

I

P

P

L

S

S

S

L

L

V

I

N

H

S

P

M

G

T

I

T

Y

A

C

V

Y

D

D

L
x
M

N

F

Y

Y

G

Q

D

K

A

G

A

K

I

T

A

P

F

F

L

L

A

A

W

W

A

C

R

E

A

Q

A

R

E

G

C

S

R

K

N

R

T

N

V

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

Q

L

W

W

H

H

E

G

V

V

R

L

P

P

D

D

T

V

D

E

A

P

V

V

Y

I

A

K

G

Q

L

L

R

Q

GAGGA 126:130 (≠ GAGGS 127:131) binding NADP(+)
NRTVSR 149:154 (≠ NRTPER 151:156) binding NADP(+)
M213 (≠ L217) binding NADP(+)
G237 (= G241) binding NADP(+)

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
40% identity, 97% coverage: 3:273/280 of query aligns to 2:242/244 of 3sefC

query
sites
3sefC

D

D

R

Q

Y

Y

A

A

V

V

F

F

G

G

H

N

P

P

I

I

A

N

H

H

S
|
S

L

K

S
|
S

P

P

D

F

I

I

H

H

A

T

A

L

F

F

G

A

R

R

Q

Q

E

T

G

Q

I

Q

A

S

V

M

D

I

Y

Y

R

T

A

A

I

Q

D

C

A

V

T

P

P

V

D

D

G

G

F

F

L

T

A

E

A

A

L

A

E

K

A

H

F

F

A

F

A

A

E

Q

G

G

R

R

G

G

A

C

N

N

V

V

T

T

L

V

P

P

H

F

K
|
K

E

E

A

E

A

A

F

Y

A

R

L

F

C

A

T

D

T

R

R

L

T

T

A

E

R

R

A

A

T

R

R

L

A

A

G

G

S

A

V

V

N

N

T

T

L

L

L

K

R

K

K

D

G

D

D

G

R

E

W

I

H

L

G

G

D

D

T

N

T

T

D
|
D

G

G

A

E

G

G

L

L

V

V

R

Q

D

D

L

L

T

L

D

A

R

Q

H

Q

G

V

Q

L

D

-

L

L

R

K

G

G

R

A

R

T

V

I

L

L

L

I

G

G

A

A

G

G

S

A

A

A

R

R

S

G

V

V

A

L

P

K

S

P

L

L

D

D

A

Q

G

Q

I

P

R

A

E

S

L

I

V

T

V

V

V

T

N

N

R

R

T

T

P

F

E

A

R

K

A

A

D

E

E

Q

L

L

I

A

D

E

A

L

M

V

G

A

E

A

P

Y

G

G

R

E

A

V

L

K

S

A

R

Q

Y

A

W

F

D

E

D

Q

L

L

H

K

D

Q

L

-

G

-

D

S

F

Y

E

D

L

V

I

I

V

I

N

N

A

S

T

T

S

S

A

A

G

-

R

I

D

D

P

P

S

-

A

-

S

-

F

-

K

-

L

-

P

-

L

-

S

V

L

I

V

F

N

S

S

S

M

R

T

S

T

V

A

C

V

Y

D

D

L

M

N

M

Y

Y

G

G

D

-

A

-

I

-

A

-

F

-

L

-

A

-

W

-

A

-

R

-

A

-

E

-

C

-

R

-

N

-

T

-

V

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

Q

M

Q

L

W

W

H

R

E

G

V

L

R

R

P

P

D

G

T

T

D

K

A

Q

V

I

Y

L

A

R

G

E

L

L

R

R

G

K

N

N

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S15), S16 (= S17), K65 (= K66), D101 (= D102), Q217 (= Q248)

1p77A Crystal structure of shikimate dehydrogenase (aroe) from haemophilus influenzae (see paper)
36% identity, 96% coverage: 3:271/280 of query aligns to 2:261/265 of 1p77A

query
sites
1p77A

D

D

R

L

Y

Y

A

A

V

V

F

W

G

G

H

N

P

P

I

I

A

A

H

Q

S

S

L

K

S

S

P

P

D

L

I

I

H

Q

A

N

A

K

F

L

G

A

R

A

Q

Q

E

T

G

H

I

Q

A

T

V

M

D

E

Y

Y

R

I

A

A

I

K

D

L

A

G

T

D

P

L

D

D

G

A

F

F

L

E

A

Q

L

L

E

L

A

A

F

F

A

F

A

E

E

E

G

G

G

A

R

K

G

G

A

C

N

N

V

I

T

T

L

S

P

P

H

F

K

K

E

E

A

R

A

A

F

Y

A

Q

L

L

C

A

T

D

T

E

R

Y

T

S

A

Q

R

R

A

A

T

K

R

L

A

A

G

E

S

A

V

C

N

N

T

T

L

L

L

K

R

K

K

L

G

D

D

D

-

G

R

K

W

L

H

Y

G

A

D

D

T

N

T

T

D

D

G

G

A

I

G

G

L

L

V

V

R

T

D

D

L

L

T

-

D

Q

R

R

H

L

G

N

Q

W

D

L

L

R

R

P

G

N

R

Q

R

H

V

V

L

L

L

I

L

L

G
|
G

A

A

G
|
G

S
x
A

A

T

R

K

S

G

V

V

A

L

P

L

S

P

L

L

D

Q

A

A

G

Q

I

-

R

Q

E

N

L

I

V

V

V

L

V

A

N
|
N

R
|
R

T
|
T

P

F

E

S

R
x
K

A

T

D

K

E

E

L

L

I

A

D

E

A

R

M

F

G

Q

E

P

P

Y

G

G

R

N

A

I

L

Q

S

A

R

V

Y

S

W

M

D

D

D

S

L

I

H

-

D

P

L

L

G

Q

D

T

F

Y

E

D

L

L

I

V

V

I

N

N

A

A

T
|
T

S
|
S

A
|
A

G

S

R

V

D

D

P

A

S

-

A

-

S

-

F

-

K

-

L

-

P

-

L

-

S

E

L

I

V

L

N

K

S

L

M

G

T

S

T

A

A

F

V

Y

D

D

L

M

N

Q

Y

Y

G

A

D

K

A

G

A

T

-

D

I

T

A

P

F

F

L

I

A

A

W

L

A

C

R

K

A

S

A

L

E

G

C

L

R

T

N

N

T

V

V

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

Q

H

Q

L

W

W

H

R

E

G

V

V

R

M

P

P

D

D

T

F

D

V

A

S

V

V

Y

Y

A

E

G

Q

L

L

R

K

binding 2'-monophosphoadenosine-5'-diphosphate: G126 (= G127), G128 (= G129), G129 (= G130), A130 (≠ S131), N149 (= N151), R150 (= R152), T151 (= T153), K154 (≠ R156), T188 (= T191), S189 (= S192), A190 (= A193)

P43876 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) (see paper)
36% identity, 96% coverage: 3:271/280 of query aligns to 2:268/272 of P43876

query
sites
P43876

D

D

R

L

Y

Y

A

A

V

V

F

W

G

G

H

N

P

P

I

I

A

A

H

Q

S

S

L

K

S

S

P

P

D

L

I

I

H

Q

A

N

A

K

F

L

G

A

R

A

Q

Q

E

T

G

H

I

Q

A

T

V

M

D

E

Y

Y

R

I

A

A

I

K

D

L

A

G

T

D

P

L

D

D

G

A

F

F

L

E

A

Q

L

L

E

L

A

A

F

F

A

F

A

E

E

E

G

G

G

A

R

K

G

G

A

C

N

N

V

I

T

T

L

S

P

P

H

F

K

K

E

E

A

R

A

A

F

Y

A

Q

L

L

C

A

T

D

T

E

R

Y

T

S

A

Q

R

R

A

A

T

K

R

L

A

A

G

E

S

A

V

C

N

N

T

T

L

L

L

K

R

K

K

L

G

D

D

D

-

G

R

K

W

L

H

Y

G

A

D

D

T

N

T

T

D

D

G

G

A

I

G

G

L

L

V

V

R

T

D

D

L

L

T

-

D

Q

R

R

H

L

G

N

Q

W

D

L

L

R

R

P

G

N

R

Q

R

H

V

V

L

L

L

I

L

L

G
|
G

A
|
A

G
|
G

S
x
A

A

T

R

K

S

G

V

V

A

L

P

L

S

P

L

L

D

Q

A

A

G

Q

I

-

R

Q

E

N

L

I

V

V

V

L

V

A

N
|
N

R
|
R

T
|
T

P
x
F

E
x
S

R
x
K

A

T

D

K

E

E

L

L

I

A

D

E

A

R

M

F

G

Q

E

P

P

Y

G

G

R

N

A

I

L

Q

S

A

R

V

Y

S

W

M

D

D

D

S

L

I

H

-

D

P

L

L

G

Q

D

T

F

Y

E

D

L

L

I

V

V

I

N

N

A

A

T

T

S
|
S

A

A

G

G

R

L

D

S

P

-

S

G

A

G

S

T

F

A

K

S

L

V

P

D

L

A

S

E

L

I

V

L

N

K

S

L

M

G

T

S

T

A

A

F

V

Y

D

D

L

M

N

Q

Y

Y

G

A

D

K

A

G

A

T

-

D

I

T

A

P

F

F

L

I

A

A

W

L

A

C

R

K

A

S

A

L

E

G

C

L

R

T

N

N

T

V

V

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

Q

H

Q

L

W

W

H

R

E

G

V

V

R

M

P

P

D

D

T

F

D

V

A

S

V

V

Y

Y

A

E

G

Q

L

L

R

K

GAGGA 126:130 (≠ GAGGS 127:131) binding NADP(+)
NRTFSK 149:154 (≠ NRTPER 151:156) binding NADP(+)
S189 (= S192) binding NADP(+)

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
31% identity, 94% coverage: 4:266/280 of query aligns to 2:257/269 of Q5HNV1

query
sites
Q5HNV1

R

K

Y

F

A

A

V

V

F

I

G

G

H

N

P

P

I

I

A

S

H

H

S
|
S

L
|
L

S
|
S

P

P

D

L

I

M

H

H

A

H

A

A

F

N

G

F

R

Q

Q

S

E

L

G

N

I

L

A

E

V

N

D

T

Y

Y

R

E

A

A

I

I

D

N

A

V

T

P

P

V

D

N

G

Q

F

F

L

Q

A

D

A

I

L

K

E

K

A

I

F

I

A

S

A

E

E

K

G

S

G

I

R

D

G

G

A

F

N

N

V

V

T
|
T

L

I

P

P

H

H

K

K

E

E

A

R

A

I

F

I

A

P

L

Y

C

L

T

D

R

I

T

N

A

E

R

Q

A

A

T

K

R

S

A

V

G

G

S

A

V

V

N
|
N

T

T

L

V

L

L

R

V

K

K

G

D

D

G

R

K

W

W

H

I

G

G

D

Y

T

N

T

T

D
|
D

G

G

A

I

G

G

L

Y

V

V

R

N

D

G

L

L

T

K

D

Q

R

I

H

Y

G

-

Q

E

D

G

L

I

R

E

G

D

R

A

R

Y

V

I

L

L

L

I

L

L

G

G

A

A

G

G

S

A

A

S

R

K

S

G

V

I

A

A

P

N

S

E

L

L

L

Y

D

K

A

I

G

V

I

R

R

P

E

T

L

L

V

T

V

V

V

A

N

N

R

R

T

T

P

M

E

S

R

R

A

F

D

N

E

N

L

W

I

S

D

L

A

N

M

I

G

N

E

K

P

I

G

N

R

L

A

S

L

H

S

A

R

E

Y

-

W

-

D

-

L

-

H

S

D

H

L

L

G

D

D

E

F

F

E

D

L

I

I

I

V

I

N

N

A

T

T

T

S

P

A

A

G

G

R

M

D

N

P

G

S

N

A

T

S

D

F

S

K

V

L

I

P

S

L

L

S

N

L

R

V

L

N

A

S

S

M

H

T

T

T

L

A

V

V

S

D

D

L

I

N

V

Y
|
Y

G

N

D

P

A

Y

A

K

I

T

A

P

F

I

L

L

A

I

W

-

A

-

R

-

A

E

A

A

E

E

C

Q

R

R

N

G

T

N

-

P

-

I

V

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

Q

K

Q

I

W

W

H

T

E

N

V

L

R

E

P

P

D

D

T

I

D

K

A

A

V

M

SLS 13:15 (= SLS 15:17) binding shikimate
T60 (= T62) binding shikimate
N85 (= N87) binding shikimate
D100 (= D102) binding shikimate
Y211 (= Y219) 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 (= Q248) binding shikimate

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
30% identity, 91% coverage: 2:257/280 of query aligns to 6:251/269 of O67049

query
sites
O67049

T

T

D

Q

R

L

Y

Y

A

G

V

V

F

I

G

G

H

F

P

P

I

V

A

K

H

H

S
|
S

L
|
L

S
|
S

P

P

D

V

I

F

H

Q

A

N

A

A

F

L

G

I

R

R

Q

Y

E

A

G

G

I

L

A

N

V

A

D

V

Y

Y

R

L

A

A

I

F

D

E

A

I

T

N

P

P

D

E

G

E

F

L

L

K

A

K

A

A

L

F

E

E

A

G

F

F

A

K

A

A

E

L

G

K

G

V

R

K

G

G

A

I

N

N

V

V

T

T

L

V

P

P

H

F

K

K

E

E

A

E

A

I

F

I

A

P

L

L

C

L

T

D

T

Y

R

V

T

E

A
x
D

R

T

A

A

T

K

R

E

A

I

G

G

S

A

V

V

N
|
N

T

T

L

V

L

K

R

F

K

E

G

N

D

G

R

K

W

A

H

Y

G

G

D

Y

T

N

T

T

D
|
D

G

W

A

I

G

G

L

F

V

L

R

K

D

S

L

L

T

K

D

S

R

L

H

I

G

-

Q

P

D

E

L

V

R

K

G

E

R

K

R

S

V

I

L

L

L

V

L

L

G
|
G

A
|
A

G
|
G

S
x
A

A

S

R

R

S

A

V

V

A

I

P

Y

S

A

L

L

L

V

D

K

A

E

G

G

I

A

R

K

E

-

L

V

V

F

V

L

V

W

N

N

R

R

T

T

P

K

E

E

R

K

A

A

D

I

E

K

L

L

-

A

-

Q

-

K

-

F

-

P

I

L

D

E

A

V

M

V

G

N

E

S

P

P

G

E

R

E

A

V

L

I

S

D

R

K

Y

-

W

-

D

-

L

-

H

-

D

-

L

-

G

-

D

-

F

V

E

Q

L

V

I

I

V

V

N

N

A

T

T

T

S

S

A

V

G

G

-

L

-

K

-

D

R

K

D

D

P

P

S

E

A

I

S

-

F

-

K

-

L

F

P

N

L

Y

S

D

L

L

V

I

N

K

S

K

M

D

T

H

T

V

A

V

V

V

D

D

L
x
I

N

I

Y
|
Y

G

K

D

E

A

T

A

K

I

L

A

L

F

K

L

K

A

A

W

K

A

E

R

K

A

G

A

A

E

K

C

L

R

-

N

-

T

-

V

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

Q

K

Q

I

W

W

H

N

SLS 19:21 (= SLS 15:17) binding shikimate
D82 (≠ A78) binding NADP(+)
N91 (= N87) binding shikimate
D106 (= D102) binding shikimate
GAGGA 130:134 (≠ GAGGS 127:131) binding NADP(+)
I214 (≠ L217) binding NADP(+)
Y216 (= Y219) binding shikimate
G235 (= G241) binding NADP(+)
Q242 (= Q248) binding shikimate

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
30% identity, 91% coverage: 2:257/280 of query aligns to 6:251/267 of 2hk9B

query
sites
2hk9B

T

T

D

Q

R

L

Y

Y

A

G

V

V

F

I

G

G

H

F

P

P

I

V

A

K

H

H

S
|
S

L

L

S
|
S

P

P

D

V

I

F

H

Q

A

N

A

A

F

L

G

I

R

R

Q

Y

E

A

G

G

I

L

A

N

V

A

D

V

Y

Y

R

L

A

A

I

F

D

E

A

I

T

N

P

P

D

E

G

E

F

L

L

K

A

K

A

A

L

F

E

E

A

G

F

F

A

K

A

A

E

L

G

K

G

V

R

K

G

G

A

I

N
|
N

V

V

T
|
T

L
x
V

P

P

H

F

K
|
K

E

E

A

E

A

I

F

I

A

P

L

L

C

L

T

D

T

Y

R

V

T

E

A

D

R

T

A

A

T

K

R

E

A

I

G

G

S

A

V

V

N
|
N

T

T

L

V

L

K

R

F

K

E

G

N

D

G

R

K

W

A

H

Y

G

G

D

Y

T

N

T

T

D
|
D

G

W

A

I

G

G

L

F

V

L

R

K

D

S

L

L

T

K

D

S

R

L

H

I

G

-

Q

P

D

E

L

V

R

K

G

E

R

K

R

S

V

I

L

L

L

V

L

L

G
|
G

A

A

G

G

G
|
G

S
x
A

A

S

R

R

S

A

V

V

A

I

P

Y

S

A

L

L

L

V

D

K

A

E

G

G

I

A

R

K

E

-

L

V

V

F

V

L

V

W

N
|
N

R
|
R

T
|
T

P

K

E

E

R
x
K

A

A

D

I

E

K

L

L

-

A

-

Q

-

K

-

F

-

P

I

L

D

E

A

V

M

V

G

N

E

S

P

P

G

E

R

E

A

V

L

I

S

D

R

K

Y

-

W

-

D

-

L

-

H

-

D

-

L

-

G

-

D

-

F

V

E

Q

L

V

I

I

V

V

N

N

A

T

T
|
T

S
|
S

A
x
V

G

G

-

L

-

K

-

D

R

E

D

D

P

P

S

E

A

I

S

-

F

-

K

-

L

F

P

N

L

Y

S

D

L

L

V

I

N

K

S

K

M

D

T

H

T

V

A

V

V

V

D

D

L
x
I

N

I

Y
|
Y

G

K

D

E

A

T

A

K

I

L

A

L

F

K

L

K

A

A

W

K

A

E

R

K

A

G

A

A

E

K

C

L

R

-

N

-

T

-

V

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

Q

K

Q

I

W

W

H

N

binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (≠ L63), G130 (= G127), G133 (= G130), A134 (≠ S131), N153 (= N151), R154 (= R152), T155 (= T153), K158 (≠ R156), T188 (= T191), S189 (= S192), V190 (≠ A193), I214 (≠ L217), M238 (= M244), L239 (= L245)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S15), S21 (= S17), N64 (= N60), T66 (= T62), K70 (= K66), N91 (= N87), D106 (= D102), Y216 (= Y219), L239 (= L245), Q242 (= Q248)

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
30% identity, 94% coverage: 4:266/280 of query aligns to 2:248/258 of 3dooA

query
sites
3dooA

R

K

Y

F

A

A

V

V

F

I

G

G

H

N

P

P

I

I

A

S

H

H

S
|
S

L

L

S
|
S

P

P

D

L

I

M

H

H

A

H

A

A

F

N

G

F

R

Q

Q

S

E

L

G

N

I

L

A

E

V

N

D

T

Y

Y

R

E

A

A

I

I

D

N

A

V

T

P

P

V

D

N

G

Q

F

F

L

Q

A

D

A

I

L

K

E

K

A

I

F

I

A

S

A

E

E

K

G

S

G

I

R

D

G

G

A

F

N
|
N

V

V

T
|
T

L

I

P

P

H

H

K
|
K

E

E

A

R

A

I

F

I

A

P

L

Y

C

L

T

D

R

I

T

N

A

E

R

Q

A

A

T

K

R

S

A

V

G

G

S

A

V

V

N
|
N

T

T

L

V

L

L

R

V

K

K

G

D

D

G

R

K

W

W

H

I

G

G

D

Y

T

N

T

T

D
|
D

G

G

A

I

G

G

L

Y

V

V

R

N

D

G

L

L

T

K

D

Q

R

I

H

Y

G

-

Q

E

D

G

L

I

R

E

G

D

R

A

R

Y

V

I

L

L

L

I

L

L

G

G

A

A

G

G

S

A

A

S

R

K

S

G

V

I

A

A

P

N

S

E

L

L

L

Y

D

K

A

I

G

V

I

R

R

P

E

T

L

L

V

T

V

V

V

A

N

N

R

R

T

T

P

M

E

S

R

R

A

F

D

N

E

N

L

W

I

S

D

L

A

N

M

I

G

N

E

K

P

I

G

N

R

L

A

S

L

H

S

A

R

E

Y

-

W

-

D

-

L

-

H

S

D

H

L

L

G

D

D

E

F

F

E

D

L

I

I

I

V

I

N

N

A

T

T

T

S

P

A

V

G

-

R

-

D

-

P

-

S

-

A

-

S

-

F

-

K

-

L

I

P

S

L

L

S

N

L

R

V

L

N

A

S

S

M

H

T

T

T

L

A

V

V

S

D

D

L

I

N

V

Y

Y

G

N

D

P

A

Y

A

K

I

T

A

P

F

I

L

L

A

I

W

-

A

-

R

-

A

E

A

A

E

E

C

Q

R

R

N

G

T

N

-

P

-

I

V

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

Q

K

Q

I

W

W

H

T

E

N

V

L

R

E

P

P

D

D

T

I

D

K

A

A

V

M

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S13 (= S15), S15 (= S17), N58 (= N60), T60 (= T62), K64 (= K66), N85 (= N87), D100 (= D102), F227 (≠ L245), Q230 (= Q248)

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
30% identity, 91% coverage: 2:257/280 of query aligns to 6:251/269 of 2hk9A

query
sites
2hk9A

T

T

D

Q

R

L

Y

Y

A

G

V

V

F

I

G

G

H

F

P

P

I

V

A

K

H

H

S
|
S

L

L

S
|
S

P

P

D

V

I

F

H

Q

A

N

A

A

F

L

G

I

R

R

Q

Y

E

A

G

G

I

L

A

N

V

A

D

V

Y

Y

R

L

A

A

I

F

D

E

A

I

T

N

P

P

D

E

G

E

F

L

L

K

A

K

A

A

L

F

E

E

A

G

F

F

A

K

A

A

E

L

G

K

G

V

R

K

G

G

A

I

N
|
N

V

V

T

T

L
x
V

P

P

H

F

K
|
K

E

E

A

E

A

I

F

I

A

P

L

L

C

L

T

D

T

Y

R

V

T

E

A

D

R

T

A

A

T

K

R

E

A

I

G

G

S

A

V

V

N
|
N

T

T

L

V

L

K

R

F

K

E

G

N

D

G

R

K

W

A

H

Y

G

G

D

Y

T

N

T

T

D
|
D

G

W

A

I

G

G

L

F

V

L

R

K

D

S

L

L

T

K

D

S

R

L

H

I

G

-

Q

P

D

E

L

V

R

K

G

E

R

K

R

S

V

I

L

L

L

V

L

L

G

G

A

A

G
|
G

S
x
A

A

S

R

R

S

A

V

V

A

I

P

Y

S

A

L

L

L

V

D

K

A

E

G

G

I

A

R

K

E

-

L

V

V

F

V

L

V

W

N
|
N

R
|
R

T
|
T

P

K

E

E

R

K

A

A

D

I

E

K

L

L

-

A

-

Q

-

K

-

F

-

P

I

L

D

E

A

V

M

V

G

N

E

S

P

P

G

E

R

E

A

V

L

I

S

D

R

K

Y

-

W

-

D

-

L

-

H

-

D

-

L

-

G

-

D

-

F

V

E

Q

L

V

I

I

V

V

N

N

A

T

T
|
T

S
|
S

A
x
V

G

G

-

L

-

K

-

D

R

E

D

D

P

P

S

E

A

I

S

-

F

-

K

-

L

F

P

N

L

Y

S

D

L

L

V

I

N

K

S

K

M

D

T

H

T

V

A

V

V

V

D

D

L

I

N

I

Y
|
Y

G

K

D

E

A

T

A

K

I

L

A

L

F

K

L

K

A

A

W

K

A

E

R

K

A

G

A

A

E

K

C

L

R

-

N

-

T

-

V

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

Q

K

Q

I

W

W

H

N

binding 2'-monophosphoadenosine-5'-diphosphate: V67 (≠ L63), G132 (= G129), G133 (= G130), A134 (≠ S131), N153 (= N151), R154 (= R152), T155 (= T153), T188 (= T191), S189 (= S192), V190 (≠ A193)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S15), S21 (= S17), N64 (= N60), K70 (= K66), N91 (= N87), D106 (= D102), Y216 (= Y219), L239 (= L245), Q242 (= Q248)

2cy0A Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP (see paper)
40% identity, 94% coverage: 4:266/280 of query aligns to 3:253/262 of 2cy0A

query
sites
2cy0A

R

R

Y

F

A

A

V

V

F

L

G

G

H

H

P

P

I

V

A

A

H

H

S

S

L

L

S

S

P

P

D

A

I

M

H

H

A

A

A

F

F

A

G

L

R

E

Q

S

E

L

G

G

I

L

A

E

V

G

D

S

Y

Y

R

E

A

A

I

W

D

D

A

-

T

T

P

P

D

L

G

E

F

A

L

L

A

P

A

G

L

R

E

L

A

K

F

E

A

V

A

R

E

R

G

A

G

F

R

R

G

G

A

V

N

N

V

L

T

T

L

L

P

P

H

L

K
|
K

E

E

A

A

F

L

A

A

L

H

C

L

T

D

T

W

R

V

T

S

A

P

R

E

A

A

T

Q

R

R

A

I

G

G

S

A

V

V

N

N

T

T

L

V

L

L

R

Q

K

V

G

E

D

G

R

R

W

L

H

F

G

G

D

F

T

N

T

T

D
|
D

G

A

A

P

G

G

L

F

V

L

R

E

D

A

L

L

T

K

D

A

R

-

H

G

G

G

Q

I

D

P

L

L

R

K

G

G

R

-

R

P

V

A

L

L

L

V

L

L

G
|
G

A

A

G

G

G
|
G

S
x
A

A

G

R

R

S

A

V

V

A

A

P

F

S

A

L

L

L

R

D

E

A

A

G

G

I

L

R

-

E

E

L

V

V

W

V

V

V

W

N
|
N

R
|
R

T
|
T

P

P

E

Q

R
|
R

A

A

D

L

E

A

L

L

I

A

D

E

A

E

M

F

G

G

E

L

P

-

G

-

R

R

A

A

L

V

S

P

R

-

Y

-

W

-

D

-

L

L

H

E

D

K

L

A

G

R

D

E

F

A

E

R

L

L

I

L

V

V

N

N

A

A

T
|
T

S
x
R

A
x
V

G

G

-

L

R

E

D

D

P

P

S

S

A

A

S

S

F

-

K

P

L

L

P

P

L

A

S

E

L

L

V

F

N

P

S

E

M

E

T

G

T

A

A

A

V

V

D

D

L
|
L

N

V

Y

Y

G

R

D

P

A

L

A

W

I

T

A

R

F

F

L

L

A

R

W

E

A

A

R

K

A

A

A

K

E

G

C

L

R

K

N

-

T

V

V

Q

D

T

G

G

L

L

G

P

M

M

L
|
L

V

A

E

W

Q

Q

A

G

A

A

E

L

S

A

F

F

Q

R

Q

L

W

W

H

T

E

G

V

L

R

L

P

P

D

D

T

P

D

S

A

G

V

M

active site: K64 (= K66), D100 (= D102)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G123 (= G127), G126 (= G130), A127 (≠ S131), N146 (= N151), R147 (= R152), T148 (= T153), R151 (= R156), T179 (= T191), R180 (≠ S192), V181 (≠ A193), L205 (= L217), L232 (= L245)

2ev9B Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP(h) and shikimate (see paper)
40% identity, 94% coverage: 4:266/280 of query aligns to 3:253/263 of 2ev9B

query
sites
2ev9B

R

R

Y

F

A

A

V

V

F

L

G

G

H

H

P

P

I

V

A

A

H

H

S
|
S

L

L

S
|
S

P

P

D

A

I

M

H

H

A

A

A

F

F

A

G

L

R

E

Q

S

E

L

G

G

I

L

A

E

V

G

D

S

Y

Y

R

E

A

A

I

W

D

D

A

-

T

T

P

P

D

L

G

E

F

A

L

L

A

P

A

G

L

R

E

L

A

K

F

E

A

V

A

R

E

R

G

A

G

F

R

R

G

G

A

V

N
|
N

V

L

T
|
T

L

L

P

P

H

L

K
|
K

E

E

A

A

F

L

A

A

L

H

C

L

T

D

T

W

R

V

T

S

A

P

R

E

A

A

T

Q

R

R

A

I

G

G

S

A

V

V

N
|
N

T

T

L

V

L

L

R

Q

K

V

G

E

D

G

R

R

W

L

H

F

G

G

D

F

T

N

T

T

D
|
D

G

A

A

P

G

G

L

F

V

L

R

E

D

A

L

L

T

K

D

A

R

-

H

G

G

G

Q

I

D

P

L

L

R

K

G

G

R

-

R

P

V

A

L

L

L

V

L

L

G

G

A

A

G

G

S

A

A

G

R

R

S

A

V

V

A

A

P

F

S

A

L

L

L

R

D

E

A

A

G

G

I

L

R

-

E

E

L

V

V

W

V

V

V

W

N

N

R

R

T

T

P

P

E

Q

R

R

A

A

D

L

E

A

L

L

I

A

D

E

A

E

M

F

G

G

E

L

P

-

G

-

R

R

A

A

L

V

S

P

R

-

Y

-

W

-

D

-

L

L

H

E

D

K

L

A

G

R

D

E

F

A

E

R

L

L

I

L

V

V

N

N

A

A

T

T

S

R

A

V

G

G

-

L

R

E

D

D

P

P

S

S

A

A

S

S

F

-

K

P

L

L

P

P

L

A

S

E

L

L

V

F

N

P

S

E

M

E

T

G

T

A

A

A

V

V

D

D

L

L

N

V

Y

Y

G

R

D

P

A

L

A

W

I

T

A

R

F

F

L

L

A

R

W

E

A

A

R

K

A

A

A

K

E

G

C

L

R

K

N

-

T

V

V

Q

D

T

G

G

L

L

G

P

M

M

L

L

V

A

E

W

Q
|
Q

A

G

A

A

E

L

S

A

F

F

Q

R

Q

L

W

W

H

T

E

G

V

L

R

L

P

P

D

D

T

P

D

S

A

G

V

M

active site: K64 (= K66), D100 (= D102)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S15), S16 (= S17), N58 (= N60), T60 (= T62), K64 (= K66), N85 (= N87), D100 (= D102), Q235 (= Q248)

Q5SJF8 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8) (see paper)
40% identity, 94% coverage: 4:266/280 of query aligns to 3:253/263 of Q5SJF8

query
sites
Q5SJF8

R

R

Y

F

A

A

V

V

F

L

G

G

H

H

P

P

I

V

A

A

H

H

S
|
S

L
|
L

S
|
S

P

P

D

A

I

M

H

H

A

A

A

F

F

A

G

L

R

E

Q

S

E

L

G

G

I

L

A

E

V

G

D

S

Y

Y

R

E

A

A

I

W

D

D

A

-

T

T

P

P

D

L

G

E

F

A

L

L

A

P

A

G

L

R

E

L

A

K

F

E

A

V

A

R

E

R

G

A

G

F

R

R

G

G

A

V

N

N

V

L

T
|
T

L

L

P

P

H

L

K
|
K

E

E

A

A

F

L

A

A

L

H

C

L

T

D

T

W

R

V

T

S

A

P

R

E

A

A

T

Q

R

R

A

I

G

G

S

A

V

V

N
|
N

T

T

L

V

L

L

R

Q

K

V

G

E

D

G

R

R

W

L

H

F

G

G

D

F

T

N

T

T

D
|
D

G

A

A

P

G

G

L

F

V

L

R

E

D

A

L

L

T

K

D

A

R

-

H

G

G

G

Q

I

D

P

L

L

R

K

G

G

R

-

R

P

V

A

L

L

L

V

L

L

G
|
G

A
|
A

G
|
G

S
x
A

A

G

R

R

S

A

V

V

A

A

P

F

S

A

L

L

L

R

D

E

A

A

G

G

I

L

R

-

E

E

L

V

V

W

V

V

V

W

N
|
N

R
|
R

T
|
T

P
|
P

E
x
Q

R
|
R

A

A

D

L

E

A

L

L

I

A

D

E

A

E

M

F

G

G

E

L

P

-

G

-

R

R

A

A

L

V

S

P

R

-

Y

-

W

-

D

-

L

L

H

E

D

K

L

A

G

R

D

E

F

A

E

R

L

L

I

L

V

V

N

N

A

A

T

T

S

R

A

V

G

G

-

L

R

E

D

D

P

P

S

S

A

A

S

S

F

-

K

P

L

L

P

P

L

A

S

E

L

L

V

F

N

P

S

E

M

E

T

G

T

A

A

A

V

V

D

D

L
|
L

N

V

Y
|
Y

G

R

D

P

A

L

A

W

I

T

A

R

F

F

L

L

A

R

W

E

A

A

R

K

A

A

A

K

E

G

C

L

R

K

N

-

T

V

V

Q

D

T

G
|
G

L

L

G

P

M

M

L

L

V

A

E

W

Q
|
Q

A

G

A

A

E

L

S

A

F

F

Q

R

Q

L

W

W

H

T

E

G

V

L

R

L

P

P

D

D

T

P

D

S

A

G

V

M

SLS 14:16 (= SLS 15:17) binding shikimate
T60 (= T62) binding shikimate
K64 (= K66) active site, Proton acceptor
N85 (= N87) binding shikimate
D100 (= D102) binding shikimate
GAGGA 123:127 (≠ GAGGS 127:131) binding NADP(+)
NRTPQR 146:151 (≠ NRTPER 151:156) binding NADP(+)
L205 (= L217) binding NADP(+)
Y207 (= Y219) binding shikimate
G228 (= G241) binding NADP(+)
Q235 (= Q248) binding shikimate

1npdB X-ray structure of shikimate dehydrogenase complexed with NAD+ from e.Coli (ydib) northeast structural genomics research consortium (nesg) target er24 (see paper)
29% identity, 91% coverage: 1:256/280 of query aligns to 3:270/288 of 1npdB

query
sites
1npdB

M

V

T

T

D

A

R

K

Y

Y

A

E

V

L

F

I

G

G

-

L

-

M

-

A

H

Y

P

P

I

I

A

R

H

H

S

S

L

L

S

S

P

P

D

E

I

M

H

Q

A

N

A

K

F

A

G

L

R

E

Q

K

E

A

G

G

I

L

A

P

V

F

D

T

Y

Y

R

M

A

A

I

F

D

E

A

V

T

D

P

N

D

D

G

S

F

F

L

P

A

G

A

A

L

I

E

E

A

G

F

L

A

K

A

A

E

L

G

K

G

M

R

R

G

G

A

T

N

G

V

V

T

S

L

M

P

P

H

N

K

K

E

Q

A

L

A

A

F

C

A

E

L

Y

C

V

T

D

T

E

R

L

T

T

A

P

R

A

A

A

T

K

R

L

A

V

G

G

S

A

V

I

N

N

T

T

L

I

L

V

R

N

K

D

G

D

D

G

R

Y

W

L

H

R

G

G

D

Y

T

N

T

T

D

D

G

G

A

T

G

G

L

H

V

I

R

R

D

A

L

I

T

K

D

E

R

S

H

-

G

G

Q

F

D

D

L

I

R

K

G

G

R

K

R

T

V

M

L

V

L

L

G

G

A
|
A