SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012977282.1 NCBI__GCF_000010725.1:WP_012977282.1 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)

Q9X5C9 Quinate/shikimate dehydrogenase (NAD(+)); QSDH; EC 1.1.1.-; EC 1.1.1.24 from Corynebacterium glutamicum (strain ATCC 13032 / DSM 20300 / JCM 1318 / BCRC 11384 / CCUG 27702 / LMG 3730 / NBRC 12168 / NCIMB 10025 / NRRL B-2784 / 534) (see paper)
49% identity, 94% coverage: 13:292/299 of query aligns to 4:283/283 of Q9X5C9

query
sites
Q9X5C9

S

S

I

I

L

L

A

L

G

G

L

L

I

I

G

G

A

Q

G

G

I

L

Q

D

A

L

S
|
S

R
|
R

T
|
T

P

P

A

A

M

M

H

H

E

E

R

A

E

E

A

G

D

L

A

A

L

Q

G

G

L

R

R

A

C

T

L

V

Y

Y

R

R

L

R

I

I

D

D

-

T

L

L

D

G

R

S

L

R

G

A

L

S

G

G

P

Q

D

D

A

-

L

L

P

K

D

T

L

L

L

D

G

A

A

A

E

L

R

Y

M

L

G

G

Y

F

T

N

G

G

L

L

N

N

I

I

T
|
T

Y

H

P

P

C

Y

K
|
K

Q

Q

A

A

I

V

I

L

P

P

L

L

D

D

A

E

L

V

S

S

D

E

D

Q

A

A

R

T

A

Q

I

L

G

G

A

A

V

V

N
|
N

T

T

V

V

L

I

R

D

-

A

D

T

G

G

R

H

R

T

V

T

G

G

H

H

N

N

T

T

D
|
D

C

V

S

S

G

G

F

F

A

G

E

R

G

G

F

M

R

E

G

G

L

L

G

P

K

N

V

A

P

K

M

L

E

D

R

S

V

V

L

Q

L

V

G

G

A

A

G

G

G
|
G

A
x
V

G

G

A

N

A

A

V

V

G

A

H

Y

A

A

A

L

F

V

H

T

L

H

G

G

I

V

G

Q

R

K

L

L

D

Q

I

V

F

A

D
|
D

A

L

D

D

P

T

A

S

R
|
R

A

A

A

Q

L

A

L

L

A

A

D

D

Q

V

L

I

N

N

A

N

R

A

F

V

G

G

A

R

G

-

R

-

A

-

A

E

A

A

L

V

P

V

G

G

Q

V

D

D

-

A

-

R

G

G

L

I

R

E

A

D

A

V

M

I

D

A

A

A

D

D

G

G

L

V

I

V

H

N

A

A

T

T

P
|
P

T
x
M

G
|
G

M
|
M

A

P

K

A

F

H

P

P

G

G

L

T

P
x
A

L

F

P

D

A

V

D

S

M

C

L

L

H

T

A

K

R

D

L

H

W

W

V

V

A

G

E

D

I
x
V

V

V

Y

Y

F

M

P

P

L

I

E

E

T

T

E

E

L

L

R

K

R

A

A

A

R

R

A

A

I

L

G

G

C

C

R

E

T

T

L

L

D

D

G
|
G

G

T

G

R

M

M

A

A

V

I

F

H

Q
|
Q

A

A

V

V

D

D

A

A

F

F

R

R

L

L

F

F

T

T

G

G

V

L

S

E

P

P

D

D

A

V

E

S

R

R

V

M

R

R

A

E

H

T

F

F

A

L

S

S

M

L

S17 (= S26) binding shikimate
SRT 17:19 (= SRT 26:28) binding L-quinate
T69 (= T78) binding L-quinate; binding shikimate
K73 (= K82) active site, Proton acceptor; binding L-quinate; binding shikimate
N94 (= N103) binding L-quinate; binding shikimate
D110 (= D118) binding L-quinate; binding shikimate
GV 137:138 (≠ GA 145:146) binding NAD(+)
D158 (= D166) binding NAD(+)
R163 (= R171) binding NAD(+)
PMGM 203:206 (≠ PTGM 212:215) binding NAD(+)
A213 (≠ P222) binding NAD(+)
V228 (≠ I237) binding NAD(+)
G251 (= G260) binding NAD(+)
Q258 (= Q267) binding L-quinate; binding shikimate

3jyqA Quinate dehydrogenase from corynebacterium glutamicum in complex with shikimate and nadh (see paper)
49% identity, 94% coverage: 13:292/299 of query aligns to 3:282/282 of 3jyqA

query
sites
3jyqA

S

S

I

I

L

L

A

L

G

G

L

L

I

I

G

G

A

Q

G

G

I

L

Q

D

A

L

S
|
S

R

R

T

T

P

P

A

A

M

M

H

H

E

E

R

A

E

E

A

G

D

L

A

A

L

Q

G

G

L

R

R

A

C

T

L

V

Y

Y

R

R

L

R

I

I

D

D

-

T

L

L

D

G

R

S

L

R

G

A

L

S

G

G

P

Q

D

D

A

-

L

L

P

K

D

T

L

L

L

D

G

A

A

A

E

L

R

Y

M

L

G

G

Y

F

T

N

G

G

L

L

N
|
N

I

I

T
|
T

Y

H

P

P

C

Y

K

K

Q

Q

A

A

I

V

I

L

P

P

L

L

D

D

A

E

L

V

S

S

D

E

D

Q

A

A

R

T

A

Q

I

L

G

G

A

A

V

V

N
|
N

T

T

V

V

L

I

R

D

-

A

D

T

G

G

R

H

R

T

V

T

G

G

H

H

N

N

T

T

D
|
D

C

V

S

S

G

G

F

F

A

G

E

R

G

G

F

M

R

E

G

G

L

L

G

P

K

N

V

A

P

K

M

L

E

D

R

S

V

V

L

Q

L
x
V

G

G

A

A

G
|
G

A
x
V

G

G

A

N

A

A

V

V

G

A

H

Y

A

A

A

L

F

V

H

T

L

H

G

G

I

V

G

Q

R

K

L

L

D

Q

I

V

F

A

D
|
D

A
x
L

D

D

P

T

A

S

R
|
R

A

A

A

Q

L

A

L

L

A

A

D

D

Q

V

L

I

N

N

A

N

R

A

F

V

G

G

A

R

G

-

R

-

A

-

A

E

A

A

L

V

P

V

G

G

Q

V

D

D

-

A

-

R

G

G

L

I

R

E

A

D

A

V

M

I

D

A

A

A

D

D

G

G

L

V

I

V

H

N

A

A

T
|
T

P
|
P

T

M

G

G

M
|
M

A

P

K

A

F

H

P

P

G

G

L

T

P

A

L

F

P

D

A

V

D

S

M

C

L

L

H

T

A

K

R

D

L

H

W

W

V

V

A

G

E

D

I
x
V

V

V

Y

Y

F

M

P

P

L

I

E

E

T

T

E

E

L

L

R

K

R

A

A

A

R

R

A

A

I

L

G

G

C

C

R

E

T

T

L

L

D

D

G

G

G

T

G

R

M

M

A
|
A

V

I

F

H

Q
|
Q

A

A

V

V

D

D

A

A

F

F

R

R

L

L

F

F

T

T

G

G

V

L

S

E

P

P

D

D

A

V

E

S

R

R

V

M

R

R

A

E

H

T

F

F

A

L

S

S

M

L

binding nicotinamide-adenine-dinucleotide: V132 (≠ L141), G135 (= G144), G136 (= G145), V137 (≠ A146), D157 (= D166), L158 (≠ A167), R162 (= R171), T201 (= T211), P202 (= P212), M205 (= M215), V227 (≠ I237), A254 (= A264)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S16 (= S26), N66 (= N76), T68 (= T78), N93 (= N103), D109 (= D118), Q257 (= Q267)

3jypA Quinate dehydrogenase from corynebacterium glutamicum in complex with quinate and nadh (see paper)
49% identity, 94% coverage: 13:292/299 of query aligns to 3:282/282 of 3jypA

query
sites
3jypA

S

S

I

I

L

L

A

L

G

G

L

L

I

I

G

G

A

Q

G

G

I

L

Q

D

A

L

S
|
S

R

R

T
|
T

P

P

A

A

M

M

H

H

E

E

R

A

E

E

A

G

D

L

A

A

L

Q

G

G

L

R

R

A

C

T

L

V

Y

Y

R

R

L

R

I

I

D

D

-

T

L

L

D

G

R

S

L

R

G

A

L

S

G

G

P

Q

D

D

A

-

L

L

P

K

D

T

L

L

L

D

G

A

A

A

E

L

R

Y

M

L

G

G

Y

F

T

N

G

G

L

L

N
|
N

I

I

T
|
T

Y

H

P

P

C

Y

K
|
K

Q

Q

A

A

I

V

I

L

P

P

L

L

D

D

A

E

L

V

S

S

D

E

D

Q

A

A

R

T

A

Q

I

L

G

G

A

A

V

V

N
|
N

T

T

V

V

L

I

R

D

-

A

D

T

G

G

R

H

R

T

V

T

G

G

H

H

N

N

T

T

D
|
D

C

V

S

S

G

G

F

F

A

G

E

R

G

G

F

M

R

E

G

G

L

L

G

P

K

N

V

A

P

K

M

L

E

D

R

S

V

V

L

Q

L
x
V

G

G

A

A

G
|
G

G

G

A
x
V

G

G

A

N

A

A

V

V

G

A

H

Y

A

A

A

L

F

V

H

T

L

H

G

G

I

V

G

Q

R

K

L

L

D

Q

I

V

F

A

D
|
D

A
x
L

D

D

P

T

A

S

R
|
R

A

A

A

Q

L

A

L

L

A

A

D

D

Q

V

L

I

N

N

A

N

R

A

F

V

G

G

A

R

G

-

R

-

A

-

A

E

A

A

L

V

P

V

G

G

Q

V

D

D

-

A

-

R

G

G

L

I

R

E

A

D

A

V

M

I

D

A

A

A

D

D

G

G

L

V

I

V

H

N

A

A

T
|
T

P
|
P

T

M

G

G

M
|
M

A

P

K

A

F

H

P

P

G

G

L

T

P
x
A

L

F

P

D

A

V

D

S

M

C

L

L

H

T

A

K

R

D

L

H

W

W

V

V

A

G

E

D

I
x
V

V

V

Y
|
Y

F

M

P

P

L

I

E

E

T

T

E

E

L

L

R

K

R

A

A

A

R

R

A

A

I

L

G

G

C

C

R

E

T

T

L

L

D

D

G

G

G

T

G

R

M

M

A
|
A

V

I

F

H

Q
|
Q

A

A

V

V

D

D

A

A

F

F

R

R

L

L

F

F

T

T

G

G

V

L

S

E

P

P

D

D

A

V

E

S

R

R

V

M

R

R

A

E

H

T

F

F

A

L

S

S

M

L

binding nicotinamide-adenine-dinucleotide: V132 (≠ L141), G135 (= G144), V137 (≠ A146), D157 (= D166), L158 (≠ A167), R162 (= R171), T201 (= T211), P202 (= P212), M205 (= M215), A212 (≠ P222), V227 (≠ I237), Y229 (= Y239), A254 (= A264)
binding (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid: S16 (= S26), T18 (= T28), N66 (= N76), T68 (= T78), K72 (= K82), N93 (= N103), D109 (= D118), Q257 (= Q267)

3jyoA Quinate dehydrogenase from corynebacterium glutamicum in complex with NAD (see paper)
49% identity, 94% coverage: 13:292/299 of query aligns to 3:282/282 of 3jyoA

query
sites
3jyoA

S

S

I

I

L

L

A

L

G

G

L

L

I

I

G

G

A

Q

G

G

I

L

Q

D

A

L

S

S

R

R

T

T

P

P

A

A

M

M

H

H

E

E

R

A

E

E

A

G

D

L

A

A

L

Q

G

G

L

R

R

A

C

T

L

V

Y

Y

R

R

L

R

I

I

D

D

-

T

L

L

D

G

R

S

L

R

G

A

L

S

G

G

P

Q

D

D

A

-

L

L

P

K

D

T

L

L

L

D

G

A

A

A

E

L

R

Y

M

L

G

G

Y

F

T

N

G

G

L

L

N

N

I

I

T

T

Y

H

P

P

C

Y

K

K

Q

Q

A

A

I

V

I

L

P

P

L

L

D

D

A

E

L

V

S

S

D

E

D

Q

A

A

R

T

A

Q

I

L

G

G

A

A

V

V

N

N

T

T

V

V

L

I

R

D

-

A

D

T

G

G

R

H

R

T

V

T

G

G

H

H

N

N

T

T

D

D

C

V

S

S

G

G

F

F

A

G

E

R

G

G

F

M

R

E

G

G

L

L

G

P

K

N

V

A

P

K

M

L

E

D

R

S

V

V

L

Q

L
x
V

G

G

A

A

G
|
G

G

G

A
x
V

G

G

A

N

A

A

V

V

G

A

H

Y

A

A

A

L

F

V

H

T

L

H

G

G

I

V

G

Q

R

K

L

L

D

Q

I

V

F

A

D
|
D

A
x
L

D

D

P

T

A

S

R
|
R

A

A

A

Q

L

A

L

L

A

A

D

D

Q

V

L

I

N

N

A

N

R

A

F

V

G

G

A

R

G

-

R

-

A

-

A

E

A

A

L

V

P

V

G

G

Q

V

D

D

-

A

-

R

G

G

L

I

R

E

A

D

A

V

M

I

D

A

A

A

D

D

G

G

L

V

I

V

H

N

A

A

T
|
T

P
|
P

T

M

G

G

M
|
M

A

P

K

A

F

H

P

P

G

G

L

T

P

A

L

F

P

D

A

V

D

S

M

C

L

L

H

T

A

K

R

D

L

H

W

W

V

V

A

G

E

D

I
x
V

V

V

Y
|
Y

F

M

P

P

L

I

E

E

T

T

E

E

L

L

R

K

R

A

A

A

R

R

A

A

I

L

G

G

C

C

R

E

T

T

L

L

D

D

G

G

G

T

G

R

M

M

A
|
A

V

I

F

H

Q

Q

A

A

V

V

D

D

A

A

F

F

R

R

L

L

F

F

T

T

G

G

V

L

S

E

P

P

D

D

A

V

E

S

R

R

V

M

R

R

A

E

H

T

F

F

A

L

S

S

M

L

binding nicotinamide-adenine-dinucleotide: V132 (≠ L141), G135 (= G144), V137 (≠ A146), D157 (= D166), L158 (≠ A167), R162 (= R171), T201 (= T211), P202 (= P212), M205 (= M215), V227 (≠ I237), Y229 (= Y239), A254 (= A264)

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)
33% identity, 92% coverage: 11:286/299 of query aligns to 4:273/282 of Q58484

query
sites
Q58484

A

A

P

K

S

T

I

K

L

V

A

I

G

G

L

L

I

I

G

G

A

H

G

P

I

V

Q

E

A

H

S

S

R

F

T

S

P

P

A

I

M

M

H

H

E

N

R

A

E

A

A

F

D

K

A

D

L

K

G

G

L

L

R

N

C

Y

L

V

Y

Y

R

V

L

A

I

F

D

D

L

V

D

-

R

-

L

-

G

-

L

-

G

L

P

P

D

E

A

N

L

L

P

K

D

Y

L

V

L

I

L

D

G

G

A

A

E

K

R

A

M

L

G

G

Y

I

T

V

G

G

L

F

N

N

I

V

T

T

Y

I

P

P

C

H

K

K

Q

I

A

E

I

I

I

M

P

K

L

Y

L

L

D

D

A

E

L

I

S

D

D

K

D

D

A

A

R

Q

A

L

I

I

G

G

A

A

V

V

N

N

T

T

V

I

V

K

L

I

R

E

D

D

G

G

R

K

R

A

V

I

G

G

H

Y

N

N

T

T

D

D

C

G

S

I

G

G

F

A

A

R

E

M

G

A

F

L

R

E

G

E

L

I

G

G

K

R

V

V

P

K

M

D

E

K

R

N

V

I

V

V

L

I

L

Y

G
|
G

A
|
A

G
|
G

A
|
A

G

A

A

R

A

A

V

-

G

-

H

-

A

V

A

A

F

F

H

E

L

L

G

A

I

K

G

D

R

N

L

N

D

I

I

I

F

I

-

A

-
x
N

-
x
R

-
x
T

-
x
V

D
x
E

A
x
K

D

A

P

E

A

A

R

L

A

A

A

K

L

E

L

I

A

A

D

E

Q

K

L

L

N

N

A

K

R

K

F

F

G

G

A

E

G

E

R

V

A

K

A

F

A

S

L

-

P

-

G

-

Q

-

D

-

G

G

L

L

R

D

A

V

A

D

M

L

D

D

A

G

A

V

D

D

G

I

L

I

I

I

H

N

A

A

T
|
T

P

P

T

I

G

G

M
|
M

A

-

K

-

F

Y

P

P

G

N

L

I

P

D

-

V

-

E

-

P

-

I

L

V

P

K

A

A

D

E

M

K

L

L

H

R

A

E

R

D

L

M

W

V

V

V

A

M

E

D

I
x
L

V

I

Y

Y

F

N

P

P

L

L

E

E

T

T

E

V

L

L

R

K

R

E

A

A

R

K

A

K

I

V

G

N

C

A

R

K

T

T

L

I

D

N

G

G

G

L

G

G

M

M

A

L

V

I

F

Y

Q

Q

A

G

V

A

D

V

A

A

F

F

R

K

L

I

F

W

T

T

G

G

V

V

S

E

P

P

D

N

A

I

E

E

R

V

V

M

R

K

GAGGA 130:134 (= GAGGA 142:146) binding NADP(+)
NRTVEK 152:157 (≠ ----DA 166:167) binding NADP(+)
T196 (= T211) binding NADP(+)
M200 (= M215) binding NADP(+)
L224 (≠ I237) binding NADP(+)

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
33% identity, 92% coverage: 11:286/299 of query aligns to 9:278/287 of 1nvtB

query
sites
1nvtB

A

A

P

K

S

T

I

K

L

V

A

I

G

G

L

L

I

I

G

G

A

H

G

P

I

V

Q
x
E

A
x
H

S

S

R

F

T

S

P

P

A

I

M

M

H

H

E

N

R

A

E

A

A

F

D

K

A

D

L

K

G

G

L

L

R

N

C

Y

L

V

Y

Y

R

V

L

A

I

F

D

D

L

V

D

-

R

-

L

-

G

-

L

-

G

L

P

P

D

E

A

N

L

L

P

K

D

Y

L

V

L

I

L

D

G

G

A

A

E

K

R

A

M

L

G

G

Y

I

T

V

G

G

L

F

N

N

I

V

T

T

Y
x
I

P

P

C

H

K
|
K

Q

I

A

E

I

I

I

M

P

K

L

Y

L

L

D

D

A

E

L

I

S

D

D

K

D

D

A

A

R

Q

A

L

I

I

G

G

A

A

V

V

N

N

T

T

V

I

V

K

L

I

R

E

D

D

G

G

R

K

R

A

V

I

G

G

H

Y

N

N

T

T

D
|
D

C

G

S

I

G

G

F

A

A

R

E

M

G

A

F

L

R

E

G

E

L

I

G

G

K

R

V

V

P

K

M

D

E

K

R

N

V

I

V

V

L

I

L

Y

G
|
G

A

A

G
|
G

A
|
A

G

A

A

R

A

A

V

-

G

-

H

-

A

V

A

A

F

F

H

E

L

L

G

A

I

K

G

D

R

N

L

N

D

I

I

I

F

I

-

A

-
x
N

-
x
R

-
x
T

-

V

D

E

A
x
K

D

A

P

E

A

A

R

L

A

A

A

K

L

E

L

I

A

A

D

E

Q

K

L

L

N

N

A

K

R

K

F

F

G

G

A

E

G

E

R

V

A

K

A

F

A

S

L

-

P

-

G

-

Q

-

D

-

G

G

L

L

R

D

A

V

A

D

M

L

D

D

A

G

A

V

D

D

G

I

L

I

I

I

H

N

A
|
A

T
|
T

P
|
P

T
x
I

G

G

M
|
M

A

-

K

-

F

Y

P

P

G

N

L

I

P

D

-

V

-

E

-

P

-

I

L

V

P

K

A

A

D

E

M

K

L

L

H

R

A

E

R

D

L

M

W

V

V

V

A

M

E

D

I
x
L

V

I

Y
|
Y

F

N

P

P

L

L

E

E

T

T

E

V

L

L

R

K

R

E

A

A

R

K

A

K

I

V

G

N

C

A

R

K

T

T

L

I

D

N

G

G

G

L

G

G

M
|
M

A
x
L

V

I

F

Y

Q

Q

A

G

V

A

D

V

A

A

F

F

R

K

L

I

F

W

T

T

G

G

V

V

S

E

P

P

D

N

A

I

E

E

R

V

V

M

R

K

active site: K75 (= K82), D111 (= D118)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I72 (≠ Y79), G135 (= G142), G137 (= G144), G138 (= G145), A139 (= A146), N157 (vs. gap), R158 (vs. gap), T159 (vs. gap), K162 (≠ A167), A200 (= A210), T201 (= T211), P202 (= P212), I203 (≠ T213), M205 (= M215), L229 (≠ I237), Y231 (= Y239), M255 (= M263), L256 (≠ A264)
binding zinc ion: E22 (≠ Q24), H23 (≠ A25)

1nvtA Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
33% identity, 92% coverage: 11:286/299 of query aligns to 9:278/287 of 1nvtA

query
sites
1nvtA

A

A

P

K

S

T

I

K

L

V

A

I

G

G

L

L

I

I

G

G

A

H

G

P

I

V

Q

E

A

H

S

S

R

F

T

S

P

P

A

I

M

M

H

H

E

N

R

A

E

A

A

F

D

K

A

D

L

K

G

G

L

L

R

N

C

Y

L

V

Y

Y

R

V

L

A

I

F

D

D

L

V

D

-

R

-

L

-

G

-

L

-

G

L

P

P

D

E

A

N

L

L

P

K

D

Y

L

V

L

I

L

D

G

G

A

A

E

K

R

A

M

L

G

G

Y

I

T

V

G

G

L

F

N

N

I

V

T

T

Y

I

P

P

C

H

K
|
K

Q

I

A

E

I

I

I

M

P

K

L

Y

L

L

D

D

A

E

L

I

S

D

D

K

D

D

A

A

R

Q

A

L

I

I

G

G

A

A

V

V

N

N

T

T

V

I

V

K

L

I

R

E

D

D

G

G

R

K

R

A

V

I

G

G

H

Y

N

N

T

T

D
|
D

C

G

S

I

G

G

F

A

A

R

E

M

G

A

F

L

R

E

G

E

L

I

G

G

K

R

V

V

P

K

M

D

E

K

R

N

V

I

V

V

L

I

L

Y

G
|
G

A

A

G

G

A
|
A

G

A

A

R

A

A

V

-

G

-

H

-

A

V

A

A

F

F

H

E

L

L

G

A

I

K

G

D

R

N

L

N

D

I

I

I

F

I

-

A

-
x
N

-
x
R

-
x
T

-

V

D

E

A
x
K

D

A

P

E

A

A

R

L

A

A

A

K

L

E

L

I

A

A

D

E

Q

K

L

L

N

N

A

K

R

K

F

F

G

G

A

E

G

E

R

V

A

K

A

F

A

S

L

-

P

-

G

-

Q

-

D

-

G

G

L

L

R

D

A

V

A

D

M

L

D

D

A

G

A

V

D

D

G

I

L

I

I

I

H

N

A
|
A

T
|
T

P
|
P

T
x
I

G

G

M
|
M

A

-

K

-

F

Y

P

P

G

N

L

I

P

D

-

V

-

E

-

P

-

I

L

V

P

K

A

A

D

E

M

K

L

L

H

R

A

E

R

D

L

M

W

V

V

V

A

M

E

D

I
x
L

V

I

Y
|
Y

F

N

P

P

L

L

E

E

T

T

E

V

L

L

R

K

R

E

A

A

R

K

A

K

I

V

G

N

C

A

R

K

T

T

L

I

D

N

G
|
G

G

L

G

G

M
|
M

A
x
L

V

I

F

Y

Q

Q

A

G

V

A

D

V

A

A

F

F

R

K

L

I

F

W

T

T

G

G

V

V

S

E

P

P

D

N

A

I

E

E

R

V

V

M

R

K

active site: K75 (= K82), D111 (= D118)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G135 (= G142), A139 (= A146), N157 (vs. gap), R158 (vs. gap), T159 (vs. gap), K162 (≠ A167), A200 (= A210), T201 (= T211), P202 (= P212), I203 (≠ T213), M205 (= M215), L229 (≠ I237), Y231 (= Y239), G252 (= G260), M255 (= M263), L256 (≠ A264)

3tozA 2.2 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with NAD.
34% identity, 88% coverage: 15:276/299 of query aligns to 15:277/291 of 3tozA

query
sites
3tozA

L

L

A

I

G

G

L

L

I

I

G

A

A

T

G

P

I

I

Q

R

A

H

S

S

R

L

T

S

P

P

A

T

M

M

H

H

E

N

R

E

E

A

A

F

D

A

A

K

L

L

G

G

L

L

R

D

C

Y

L

V

Y

Y

R

L

L

A

I

F

D

E

L

V

D

-

R

-

L

-

G

-

L

-

G

G

P

D

D

K

A

E

L

L

P

K

D

D

L

V

L

Q

G

G

A

F

E

R

R

A

M

M

G

N

Y

L

T

R

G

G

L

W

N

N

I

V

T

S

Y

M

P

P

C

N

K

K

Q

T

A

N

I

I

I

H

P

K

L

Y

L

L

D

D

A

K

L

L

S

S

D

P

D

A

A

A

R

E

A

L

I

V

G

G

A

A

V

V

N

N

T

T

V

V

L

N

R

D

D

D

G

G

R

V

R

L

V

T

G

G

H

H

N

I

T

T

D

D

C

G

S

T

G

G

F

Y

A

M

E

R

G

A

F

L

R

K

R

E

G

A

L

G

G

H

K

D

V

I

P

I

M

G

E

K

R

K

V

M

V

T

L

I

L

C

G
|
G

A
|
A

G
|
G

A
|
A

G

A

A

T

A

A

V

I

G

C

H

I

A

Q

A

A

F

A

H

L

L

D

G

G

I

V

G

K

R

E

L

I

D

S

I

I

F

F

-
x
N

-
x
R

-

K

D
|
D

A

D

D
x
F

P

Y

A

A

R

N

A

A

A

E

L

K

L

T

A

V

D

E

Q

K

L

I

N

N

A

S

R

K

F

T

G

D

A

C

G

-

R

K

A

A

A

Q

A

L

L

F

P

D

G

I

Q

E

D

D

G

H

L

E

R

Q

A

L

A

R

M

K

D

E

A

I

A

A

D

E

G

S

L

V

I

I

-

F

-

T

H

N

A

A

T
|
T

P
x
G

T
x
V

G

G

M
|
M

A

K

K

P

F
|
F

P

E

G

G

L

E

P

T

L

L

-

L

-

P

P

S

A

A

D

D

M

M

L

L

H

R

A

P

R

E

L

L

W

I

V

V

A

S

E

D

I
x
V

V

V

Y
|
Y

F

K

P

P

L

T

E

K

T

T

E

R

L

L

R

E

R

I

A

A

R

E

A

E

I

Q

G

G

C

C

R

Q

T

T

L

L

D

N

G
|
G

G

L

G

G

M
|
M

A
x
M

V

L

F

W

Q

Q

A

G

V

A

D

K

A

A

F

F

R

E

L

I

F

W

T

T

binding nicotinamide-adenine-dinucleotide: G137 (= G142), A138 (= A143), G139 (= G144), G140 (= G145), A141 (= A146), N161 (vs. gap), R162 (vs. gap), D164 (= D166), F166 (≠ D168), T210 (= T211), G211 (≠ P212), V212 (≠ T213), M214 (= M215), F217 (= F218), V238 (≠ I237), Y240 (= Y239), G261 (= G260), M264 (= M263), M265 (≠ A264)

Q8Y9N5 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)
34% identity, 88% coverage: 15:276/299 of query aligns to 15:277/291 of Q8Y9N5

query
sites
Q8Y9N5

L

L

A

I

G

G

L

L

I

I

G

A

A

T

G

P

I

I

Q

R

A

H

S
|
S

R
x
L

T
x
S

P

P

A

T

M

M

H

H

E

N

R

E

E

A

A

F

D

A

A

K

L

L

G

G

L

L

R

D

C

Y

L

V

Y

Y

R

L

L

A

I

F

D

E

L

V

D

-

R

-

L

-

G

-

L

-

G

G

P

D

D

K

A

E

L

L

P

K

D

D

L

V

L

Q

G

G

A

F

E

R

R

A

M

M

G

N

Y

L

T

R

G

G

L

W

N

N

I

V

T

S

Y

M

P

P

C

N

K

K

Q

T

A

N

I

I

I

H

P

K

L

Y

L

L

D

D

A

K

L

L

S

S

D

P

D

A

A

A

R

E

A

L

I

V

G

G

A

A

V

V

N

N

T

T

V

V

L

N

R

D

D

D

G

G

R

V

R

L

V

T

G

G

H

H

N

I

T

T

D

D

C

G

S

T

G

G

F

Y

A

M

E

R

G

A

F

L

R

K

R

E

G

A

L

G

G

H

K

D

V

I

P

I

M

G

E

K

R

K

V

M

V

T

L

I

L

C

G

G

A

A

G

G

A

A

G

A

A

T

A

A

V

I

G

C

H

I

A

Q

A

A

F

A

H

L

L

D

G

G

I

V

G

K

R

E

L

I

D

S

I

I

F

F

-
x
N

-
x
R

-
x
K

D
|
D

A

D

D

F

P

Y

A

A

R

N

A

A

A

E

L

K

L

T

A

V

D

E

Q

K

L

I

N

N

A

S

R

K

F

T

G

D

A

C

G

-

R

K

A

A

A

Q

A

L

L

F

P

D

G

I

Q

E

D

D

G

H

L

E

R

Q

A

L

A

R

M

K

D

E

A

I

A

A

D

E

G

S

L

V

I

I

-

F

-

T

H

N

A

A

T

T

P

G

T

V

G

G

M
|
M

A

K

K

P

F

F

P

E

G

G

L

E

P

T

L

L

-

L

-

P

P

S

A

A

D

D

M

M

L

L

H

R

A

P

R

E

L

L

W

I

V

V

A

S

E

D

I

V

V

V

Y

Y

F

K

P

P

L

T

E

K

T

T

E

R

L

L

R

E

R

I

A

A

R

E

A

E

I

Q

G

G

C

C

R

Q

T

T

L

L

D

N

G

G

G

L

G

G

M

M

A

M

V

L

F

W

Q

Q

A

G

V

A

D

K

A

A

F

F

R

E

L

I

F

W

T

T

SLS 26:28 (≠ SRT 26:28) binding shikimate
NRKD 161:164 (≠ ---D 166) binding NAD(+)
M214 (= M215) binding NADP(+)

3tnlA 1.45 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with shikimate and NAD.
34% identity, 88% coverage: 15:276/299 of query aligns to 12:274/288 of 3tnlA

query
sites
3tnlA

L

L

A

I

G

G

L

L

I

I

G

A

A

T

G

P

I

I

Q

R

A

H

S
|
S

R

L

T
x
S

P

P

A

T

M

M

H

H

E

N

R

E

E

A

A

F

D

A

A

K

L

L

G

G

L

L

R

D

C

Y

L

V

Y

Y

R

L

L

A

I

F

D

E

L

V

D

-

R

-

L

-

G

-

L

-

G

G

P

D

D

K

A

E

L

L

P

K

D

D

L

V

L

Q

G

G

A

F

E

R

R

A

M

M

G

N

Y

L

T

R

G

G

L

W

N
|
N

I

V

T
x
S

Y
x
M

P

P

C

N

K
|
K

Q

T

A

N

I

I

I

H

P

K

L

Y

L

L

D

D

A

K

L

L

S

S

D

P

D

A

A

A

R

E

A

L

I

V

G

G

A

A

V

V

N
|
N

T

T

V

V

L

N

R

D

D

D

G

G

R

V

R

L

V

T

G

G

H

H

N

I

T

T

D
|
D

C

G

S

T

G

G

F

Y

A

M

E

R

G

A

F

L

R

K

R

E

G

A

L

G

G

H

K

D

V

I

P

I

M

G

E

K

R

K

V

M

V

T

L

I

L

C

G
|
G

A
|
A

G
|
G

A
|
A

G

A

A

T

A

A

V

I

G

C

H

I

A

Q

A

A

F

A

H

L

L

D

G

G

I

V

G

K

R

E

L

I

D

S

I

I

F

F

-
x
N

-
x
R

-

K

D
|
D

A

D

D
x
F

P

Y

A

A

R

N

A

A

A

E

L

K

L

T

A

V

D

E

Q

K

L

I

N

N

A

S

R

K

F

T

G

D

A

C

G

-

R

K

A

A

A

Q

A

L

L

F

P

D

G

I

Q

E

D

D

G

H

L

E

R

Q

A

L

A

R

M

K

D

E

A

I

A

A

D

E

G

S

L

V

I

I

-

F

-

T

H

N

A

A

T
|
T

P

G

T
x
V

G

G

M
|
M

A

K

K

P

F
|
F

P

E

G

G

L

E

P

T

L

L

-

L

-

P

P

S

A

A

D

D

M

M

L

L

H

R

A

P

R

E

L

L

W

I

V

V

A

S

E

D

I
x
V

V

V

Y
|
Y

F

K

P

P

L

T

E

K

T

T

E

R

L

L

R

E

R

I

A

A

R

E

A

E

I

Q

G

G

C

C

R

Q

T

T

L

L

D

N

G

G

G

L

G

G

M
|
M

A
x
M

V

L

F

W

Q
|
Q

A

G

V

A

D

K

A

A

F

F

R

E

L

I

F

W

T

T

binding nicotinamide-adenine-dinucleotide: M71 (≠ Y79), G134 (= G142), A135 (= A143), G136 (= G144), G137 (= G145), A138 (= A146), N158 (vs. gap), R159 (vs. gap), D161 (= D166), F163 (≠ D168), T207 (= T211), V209 (≠ T213), M211 (= M215), F214 (= F218), V235 (≠ I237), Y237 (= Y239), M261 (= M263), M262 (≠ A264)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S23 (= S26), S25 (≠ T28), N68 (= N76), S70 (≠ T78), K74 (= K82), N95 (= N103), D110 (= D118), Q265 (= Q267)

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
28% identity, 89% coverage: 11:277/299 of query aligns to 4:252/267 of 2hk9B

query
sites
2hk9B

A

A

P

Q

S

T

I

Q

L

L

A

Y

G

G

L

V

I

I

G

G

A

F

G

P

I

V

Q

K

A

H

S
|
S

R

L

T
x
S

P

P

A

V

M

F

H

Q

E

N

R

A

E

L

A

I

D

R

A

Y

L

A

G

G

L

L

R

N

C

A

L

V

Y

Y

R

L

L

A

I

F

D

E

L

I

D

N

R

-

L

-

G

-

L

-

G

-

P

P

D

E

A

E

L

L

P

K

D

K

L

A

L

F

L

E

G

G

A

F

E

K

R

A

M

L

G

K

Y

V

T

K

G

G

L

I

N
|
N

I

V

T
|
T

Y
x
V

P

P

C

F

K
|
K

Q

E

A

E

I

I

P

P

L

L

D

D

A

Y

L

V

S

E

D

D

D

T

A

A

R

K

A

E

I

I

G

G

A

A

V

V

N
|
N

T

T

V

V

V

K

L

F

R

E

D

N

G

G

R

K

R

A

V

Y

G

G

H

Y

N

N

T

T

D
|
D

C

W

S

I

G

G

F

F

A

L

E

K

G

S

F

L

R

K

R

S

G

L

L

I

G

P

K

E

V

V

P

K

M

E

E

K

R

S

V

I

V

L

L

V

L

L

G
|
G

A

A

G

G

G
|
G

A
|
A

G

S

A

R

A

A

V

V

G

I

H

Y

A

A

A

L

F

V

H

K

L

E

G

G

I

-

G

A

R

K

L

V

D

F

I

L

F

W

D
x
N

A
x
R

D
x
T

P

K

A

E

R
x
K

A

A

A

I

L

K

L

L

A

A

D

Q

Q

K

L

F

N

-

A

-

R

-

F

-

G

-

A

-

G

-

R

-

A

-

A

P

L

L

P

E

G

V

Q

V

D

N

G

S

L

P

R

E

A

E

A

V

M

I

D

D

A

K

A

V

D

Q

G

V

L

I

I

V

H

N

A

T

T
|
T

P
x
S

T
x
V

G

G

M

L

A

K

K

D

F

E

P

D

G

P

L

E

P

I

L

F

P

N

A

Y

D

D

M

L

L

I

H

K

A

K

R

D

L

H

W

V

V

V

A

V

E

D

I
|
I

V

I

Y
|
Y

F

-

P

-

L

K

E

E

T

T

E

K

L

L

R

K

A

A

R

K

A

E

I

K

G

G

C

A

R

K

T

L

L

L

D

D

G

G

G

L

G

P

M
|
M

A
x
L

V

L

F

W

Q
|
Q

A

G

V

I

D

E

A

A

F

F

R

K

L

I

F

W

T

N

G

G

binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (≠ Y79), G130 (= G142), G133 (= G145), A134 (= A146), N153 (≠ D166), R154 (≠ A167), T155 (≠ D168), K158 (≠ R171), T188 (= T211), S189 (≠ P212), V190 (≠ T213), I214 (= I237), M238 (= M263), L239 (≠ A264)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S26), S21 (≠ T28), N64 (= N76), T66 (= T78), K70 (= K82), N91 (= N103), D106 (= D118), Y216 (= Y239), L239 (≠ A264), Q242 (= Q267)

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
28% identity, 89% coverage: 11:277/299 of query aligns to 4:252/269 of 2hk9A

query
sites
2hk9A

A

A

P

Q

S

T

I

Q

L

L

A

Y

G

G

L

V

I

I

G

G

A

F

G

P

I

V

Q

K

A

H

S
|
S

R

L

T
x
S

P

P

A

V

M

F

H

Q

E

N

R

A

E

L

A

I

D

R

A

Y

L

A

G

G

L

L

R

N

C

A

L

V

Y

Y

R

L

L

A

I

F

D

E

L

I

D

N

R

-

L

-

G

-

L

-

G

-

P

P

D

E

A

E

L

L

P

K

D

K

L

A

L

F

L

E

G

G

A

F

E

K

R

A

M

L

G

K

Y

V

T

K

G

G

L

I

N
|
N

I

V

T

T

Y
x
V

P

P

C

F

K
|
K

Q

E

A

E

I

I

P

P

L

L

D

D

A

Y

L

V

S

E

D

D

D

T

A

A

R

K

A

E

I

I

G

G

A

A

V

V

N
|
N

T

T

V

V

V

K

L

F

R

E

D

N

G

G

R

K

R

A

V

Y

G

G

H

Y

N

N

T

T

D
|
D

C

W

S

I

G

G

F

F

A

L

E

K

G

S

F

L

R

K

R

S

G

L

L

I

G

P

K

E

V

V

P

K

M

E

E

K

R

S

V

I

V

L

L

V

L

L

G

G

A

A

G
|
G

A
|
A

G

S

A

R

A

A

V

V

G

I

H

Y

A

A

A

L

F

V

H

K

L

E

G

G

I

-

G

A

R

K

L

V

D

F

I

L

F

W

D
x
N

A
x
R

D
x
T

P

K

A

E

R

K

A

A

A

I

L

K

L

L

A

A

D

Q

Q

K

L

F

N

-

A

-

R

-

F

-

G

-

A

-

G

-

R

-

A

-

A

P

L

L

P

E

G

V

Q

V

D

N

G

S

L

P

R

E

A

E

A

V

M

I

D

D

A

K

A

V

D

Q

G

V

L

I

I

V

H

N

A

T

T
|
T

P
x
S

T
x
V

G

G

M

L

A

K

K

D

F

E

P

D

G

P

L

E

P

I

L

F

P

N

A

Y

D

D

M

L

L

I

H

K

A

K

R

D

L

H

W

V

V

V

A

V

E

D

I

I

V

I

Y
|
Y

F

-

P

-

L

K

E

E

T

T

E

K

L

L

R

K

A

A

R

K

A

E

I

K

G

G

C

A

R

K

T

L

L

L

D

D

G

G

G

L

G

P

M

M

A
x
L

V

L

F

W

Q
|
Q

A

G

V

I

D

E

A

A

F

F

R

K

L

I

F

W

T

N

G

G

binding 2'-monophosphoadenosine-5'-diphosphate: V67 (≠ Y79), G132 (= G144), G133 (= G145), A134 (= A146), N153 (≠ D166), R154 (≠ A167), T155 (≠ D168), T188 (= T211), S189 (≠ P212), V190 (≠ T213)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S26), S21 (≠ T28), N64 (= N76), K70 (= K82), N91 (= N103), D106 (= D118), Y216 (= Y239), L239 (≠ A264), Q242 (= Q267)

1npdB X-ray structure of shikimate dehydrogenase complexed with NAD+ from e.Coli (ydib) northeast structural genomics research consortium (nesg) target er24 (see paper)
31% identity, 91% coverage: 15:286/299 of query aligns to 9:281/288 of 1npdB

query
sites
1npdB

L

L

A

I

G

G

L

L

I

M

G

A

A

Y

G

P

I

I

Q

R

A

H

S

S

R

L

T

S

P

P

A

E

M

M

H

Q

E

N

R

K

E

A

A

L

D

E

A

K

L

A

G

G

L

L

R

P

C

F

L

T

Y

Y

R

M

L

A

I

F

D

E

L

V

D

D

R

N

L

-

G

-

L

-

G

-

P

-

D

D

A

S

L

F

P

P

D

G

L

A

L

I

L

E

G

G

A

L

E

K

R

A

M

L

G

K

Y

M

T

R

G

G

L

T

N

G

I

V

T

S

Y

M

P

P

C

N

K

K

Q

Q

A

L

I

A

I

C

P

E

L

Y

L

V

D

D

A

E

L

L

S

T

D

P

D

A

A

A

R

K

A

L

I

V

G

G

A

A

V

I

N

N

T

T

V

I

V

V

L

N

R

D

D

D

G

G

R

Y

R

L

V

R

G

G

H

Y

N

N

T

T

D

D

C

G

S

T

G

G

F

H

A

I

E

R

G

A

F

I

R

K

R

E

G

S

L

G

G

F

K

D

V

I

P

K

M

G

E

K

R

T

V

M

V

V

L

L

G

G

A
|
A

G
|
G

A
|
A

G

S

A

T

A

A

V

I

G

G

H

A

A

Q

A

G

F

A

H

I

L

E

G

G

I

L

G

K

R

E

L

I

D

K

I

L

F

F

-
x
N

-
x
R

-

R

D
|
D

A

E

D
x
F

P

F

A

D

R

K

A

A

A

L

L

A

L

F

A

A

D

Q

Q

R

L

V

N

N

A

E

R

N

F

T

G

D

A

C

G

V

R

V

A

T

A

V

A

T

-

D

L

L

P

A

G

D

Q

Q

D

Q

G

A

L

F

R

A

A

E

A

A

M

L

D

A

A

S

A

A

D

D

G

I

L

L

I

T

H

N

A

G

T
|
T

P
x
K

T
x
V

G

G

M
|
M

A

K

K

P

F

L

P

E

G

N

L

E

P

S

L

L

P

V

A

N

D

D

-

I

-

S

M

L

L

L

H

H

A

P

R

G

L

L

W

L

V

V

A

T

E

E

I
x
C

V

V

Y

Y

F

N

P

P

L

H

E

M

T

T

E

K

L

L

R

Q

A

A

R

Q

A

Q

I

A

G

G

C

C

R

K

T

T

L

I

D

D

G

G

G

Y

G

G

M
|
M

A
x
L

V

L

F

W

Q

Q

A

G

V

A

D

E

A

Q

F

F

R

T

L

L

F

W

T

T

G

G

V

K

S

D

P

F

D

P

A

L

E

E

R

Y

V

V

R

K

binding nicotinamide-adenine-dinucleotide: A132 (= A143), G133 (= G144), G134 (= G145), A135 (= A146), N155 (vs. gap), R156 (vs. gap), D158 (= D166), F160 (≠ D168), T204 (= T211), K205 (≠ P212), V206 (≠ T213), M208 (= M215), C232 (≠ I237), M258 (= M263), L259 (≠ A264)

P0A6D5 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Escherichia coli (strain K12) (see 4 papers)
31% identity, 91% coverage: 15:286/299 of query aligns to 9:281/288 of P0A6D5

query
sites
P0A6D5

L

L

A

I

G

G

L

L

I

M

G

A

A

Y

G

P

I

I

Q

R

A

H

S

S

R

L

T
x
S

P

P

A

E

M

M

H

Q

E

N

R

K

E

A

A

L

D

E

A

K

L

A

G

G

L

L

R

P

C

F

L

T

Y
|
Y

R

M

L

A

I

F

D

E

L

V

D

D

R

N

L

-

G

-

L

-

G

-

P

-

D

D

A

S

L

F

P

P

D

G

L

A

L

I

L

E

G

G

A

L

E

K

R

A

M

L

G

K

Y

M

T

R

G

G

L

T

N

G

I

V

T
x
S

Y

M

P

P

C

N

K
|
K

Q

Q

A

L

I

A

I

C

P

E

L

Y

L

V

D

D

A

E

L

L

S

T

D

P

D

A

A

A

R

K

A

L

I

V

G

G

A

A

V

I

N
|
N

T

T

V

I

V

V

L

N

R

D

D

D

G

G

R

Y

R

L

V

R

G

G

H

Y

N

N

T
|
T

D
|
D

C

G

S

T

G

G

F

H

A

I

E

R

G

A

F

I

R

K

R

E

G

S

L

G

G

F

K

D

V

I

P

K

M

G

E

K

R

T

V

M

V

V

L

L

G

G

A
|
A

G
|
G

A
|
A

G

S

A

T

A

A

V

I

G

G

H

A

A

Q

A

G

F

A

H

I

L

E

G

G

I

L

G

K

R

E

L

I

D

K

I

L

F

F

-
x
N

-
x
R

D
|
D

A

E

D

F

P

F

A

D

R

K

A

A

A

L

L

A

L

F

A

A

D

Q

Q

R

L

V

N

N

A

E

R

N

F

T

G

D

A

C

G

V

R

V

A

T

A

V

A

T

-

D

L

L

P

A

G

D

Q

Q

D

Q

G

A

L

F

R

A

A

E

A

A

M

L

D

A

A

S

A

A

D

D

G

I

L

L

I

T

H

N

A

G

T

T

P
x
K

T

V

G

G

M

M

A

K

K

P

F

L

P

E

G

N

L

E

P

S

L

L

P

V

A

N

D

D

-

I

-

S

M

L

L

L

H

H

A

P

R

G

L

L

W

L

V

V

A

T

E

E

I
x
C

V
|
V

Y
|
Y

F
x
N

P

P

L

H

E

M

T

T

E

K

L

L

R

Q

A

A

R

Q

A

Q

I

A

G

G

C

C

R

K

T

T

L

I

D

D

G
|
G

G

Y

G

G

M

M

A

L

V

L

F

W

Q
|
Q

A

G

V

A

D

E

A

Q

F

F

R

T

L

L

F

W

T

T

G

G

V

K

S

D

P

F

D

P

A

L

E

E

R

Y

V

V

R

K

S22 (≠ T28) mutation to A: Kinetically unchanged as compared with the wild-type.
Y39 (= Y45) mutation to F: Kinetically unchanged as compared with the wild-type.
S67 (≠ T78) mutation to A: Reduces activity towards quinate about 6-fold, but has a little effect on shikimate conversion.
K71 (= K82) mutation to A: 3200-fold decrease in the affinity for quinate. 170-fold decrease in the affinity for shikimate.; mutation to G: 10-fold greater reduction in catalytic efficiency is observed with quinate than with shikimate.
N92 (= N103) mutation to A: Alters protein structure. Loss of activity for both substrates.
T106 (= T117) mutation to A: 2000-fold decrease in the affinity for quinate. 70-fold decrease in the affinity for shikimate. 10-fold greater reduction in catalytic efficiency is observed with quinate than with shikimate.
D107 (= D118) mutation to A: Loss of activity towards quinate. 20000-fold decrease in the affinity for shikimate.
AGGA 132:135 (= AGGA 143:146) binding NAD(+)
NRRD 155:158 (≠ ---D 166) binding NAD(+)
K205 (≠ P212) binding NAD(+)
CVYN 232:235 (≠ IVYF 237:240) binding NAD(+)
G255 (= G260) binding NAD(+)
Q262 (= Q267) mutation to A: 3-fold reduction in catalytic efficiency for both substrates.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

1o9bA Quinate/shikimate dehydrogenase ydib complexed with nadh (see paper)
31% identity, 91% coverage: 15:286/299 of query aligns to 3:275/280 of 1o9bA

query
sites
1o9bA

L

L

A

I

G

G

L

L

I

M

G

A

A

Y

G

P

I

I

Q

R

A

H

S

S

R

L

T

S

P

P

A

E

M

M

H

Q

E

N

R

K

E

A

A

L

D

E

A

K

L

A

G

G

L

L

R

P

C

F

L

T

Y

Y

R

M

L

A

I

F

D

E

L

V

D

D

R

N

L

-

G

-

L

-

G

-

P

-

D

D

A

S

L

F

P

P

D

G

L

A

L

I

L

E

G

G

A

L

E

K

R

A

M

L

G

K

Y

M

T

R

G

G

L

T

N

G

I

V

T

S

Y

M

P

P

C

N

K

K

Q

Q

A

L

I

A

I

C

P

E

L

Y

L

V

D

D

A

E

L

L

S

T

D

P

D

A

A

A

R

K

A

L

I

V

G

G

A

A

V

I

N

N

T

T

V

I

V

V

L

N

R

D

D

D

G

G

R

Y

R

L

V

R

G

G

H

Y

N

N

T

T

D

D

C

G

S

T

G

G

F

H

A

I

E

R

G

A

F

I

R

K

R

E

G

S

L

G

G

F

K

D

V

I

P

K

M

G

E

K

R

T

V

M

V

V

L

L

G

G

A
|
A

G
|
G

A
|
A

G

S

A

T

A

A

V

I

G

G

H

A

A

Q

A

G

F

A

H

I

L

E

G

G

I

L

G

K

R

E

L

I

D

K

I

L

F

F

-

N

-
x
R

-

R

D

D

A

E

D
x
F

P

F

A

D

R

K

A

A

A

L

L

A

L

F

A

A

D

Q

Q

R

L

V

N

N

A

E

R

N

F

T

G

D

A

C

G

V

R

V

A

T

A

V

A

T

-

D

L

L

P

A

G

D

Q

Q

D

Q

G

A

L

F

R

A

A

E

A

A

M

L

D

A

A

S

A

A

D

D

G

I

L

L

I

T

H

N

A

G

T

T

P
x
K

T
x
V

G

G

M
|
M

A

K

K

P

F

L

P

E

G

N

L

E

P

S

L

L

P

V

A

N

D

D

-

I

-

S

M

L

L

L

H

H

A

P

R

G

L

L

W

L

V

V

A

T

E

E

I
x
C

V

V

Y
|
Y

F

N

P

P

L

H

E

M

T

T

E

K

L

L

R

Q

A

A

R

Q

A

Q

I

A

G

G

C

C

R

K

T

T

L

I

D

D

G

G

G

Y

G

G

M
|
M

A
x
L

V

L

F

W

Q

Q

A

G

V

A

D

E

A

Q

F

F

R

T

L

L

F

W

T

T

G

G

V

K

S

D

P

F

D

P

A

L

E

E

R

Y

V

V

R

K

binding 1,4-dihydronicotinamide adenine dinucleotide: A126 (= A143), G127 (= G144), G128 (= G145), A129 (= A146), R150 (vs. gap), F154 (≠ D168), K199 (≠ P212), V200 (≠ T213), M202 (= M215), C226 (≠ I237), Y228 (= Y239), M252 (= M263), L253 (≠ A264)

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
28% identity, 89% coverage: 11:277/299 of query aligns to 4:252/269 of O67049

query
sites
O67049

A

A

P

Q

S

T

I

Q

L

L

A

Y

G

G

L

V

I

I

G

G

A

F

G

P

I

V

Q

K

A

H

S
|
S

R
x
L

T
x
S

P

P

A

V

M

F

H

Q

E

N

R

A

E

L

A

I

D

R

A

Y

L

A

G

G

L

L

R

N

C

A

L

V

Y

Y

R

L

L

A

I

F

D

E

L

I

D

N

R

-

L

-

G

-

L

-

G

-

P

P

D

E

A

E

L

L

P

K

D

K

L

A

L

F

L

E

G

G

A

F

E

K

R

A

M

L

G

K

Y

V

T

K

G

G

L

I

N

N

I

V

T

T

Y

V

P

P

C

F

K

K

Q

E

A

E

I

I

P

P

L

L

D

D

A

Y

L

V

S

E

D
|
D

D

T

A

A

R

K

A

E

I

I

G

G

A

A

V

V

N
|
N

T

T

V

V

V

K

L

F

R

E

D

N

G

G

R

K

R

A

V

Y

G

G

H

Y

N

N

T

T

D
|
D

C

W

S

I

G

G

F

F

A

L

E

K

G

S

F

L

R

K

R

S

G

L

L

I

G

P

K

E

V

V

P

K

M

E

E

K

R

S

V

I

V

L

L

V

L

L

G
|
G

A
|
A

G
|
G

A
|
A

G

S

A

R

A

A

V

V

G

I

H

Y

A

A

A

L

F

V

H

K

L

E

G

G

I

-

G

A

R

K

L

V

D

F

I

L

F

W

D

N

A

R

D

T

P

K

A

E

R

K

A

A

A

I

L

K

L

L

A

A

D

Q

Q

K

L

F

N

-

A

-

R

-

F

-

G

-

A

-

G

-

R

-

A

-

A

P

L

L

P

E

G

V

Q

V

D

N

G

S

L

P

R

E

A

E

A

V

M

I

D

D

A

K

A

V

D

Q

G

V

L

I

I

V

H

N

A

T

T

T

P

S

T

V

G

G

M

L

A

K

K

D

F

K

P

D

G

P

L

E

P

I

L

F

P

N

A

Y

D

D

M

L

L

I

H

K

A

K

R

D

L

H

W

V

V

V

A

V

E

D

I
|
I

V

I

Y
|
Y

F

-

P

-

L

K

E

E

T

T

E

K

L

L

R

K

A

A

R

K

A

E

I

K

G

G

C

A

R

K

T

L

L

F

D

D

G
|
G

G

L

G

P

M

M

A

L

V

L

F

W

Q
|
Q

A

G

V

I

D

E

A

A

F

F

R

K

L

I

F

W

T

N

G

G

SLS 19:21 (≠ SRT 26:28) binding shikimate
D82 (= D94) binding NADP(+)
N91 (= N103) binding shikimate
D106 (= D118) binding shikimate
GAGGA 130:134 (= GAGGA 142:146) binding NADP(+)
I214 (= I237) binding NADP(+)
Y216 (= Y239) binding shikimate
G235 (= G260) binding NADP(+)
Q242 (= Q267) binding shikimate

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
27% identity, 90% coverage: 18:286/299 of query aligns to 5:258/269 of Q5HNV1

query
sites
Q5HNV1

L

V

I

I

G

G

A

N

G

P

I

I

Q

S

A

H

S
|
S

R
x
L

T
x
S

P

P

A

L

M

M

H

H

E

H

R

A

E

N

A

F

D

Q

A

S

L

L

G

N

L

L

R

E

C

N

L

T

Y

Y

R

E

L

A

I

I

D

N

L

V

D

P

R

-

L

-

G

-

L

-

G

-

P

V

D

N

A

Q

L

F

P

Q

D

D

L

I

L

K

G

I

A

I

E

S

R

E

M

K

G

S

Y

I

T

D

G

G

L

F

N

N

I

V

T
|
T

Y

I

P

P

C

H

K

K

Q

E

A

R

I

I

P

P

L

Y

L

L

D

D

A

D

L

I

S

N

D

E

D

Q

A

A

R

K

A

S

I

V

G

G

A

A

V

V

N
|
N

T

T

V

V

V

L

L

V

R

K

D

D

G

G

R

K

R

W

V

I

G

G

H

Y

N

N

T

T

D
|
D

C

G

S

I

G

G

F

Y

A

V

E

N

G

G

F

L

R

K

R

Q

G

I

L

Y

G

E

K

G

V

I

P

E

M

D

E

A

R

Y

V

I

V

L

L

I

L

L

G

G

A

A

G

G

A

A

G

S

A

K

A

G

V

I

G

A

H

N

A

E

A

L

F

Y

H

K

L

I

G

V

I

R

G

P

R

T

L

L

D

T

I

V

F

A

D

N

A

R

D

T

P

M

A

S

R

R

A

F

A

N

L

N

L

W

A

S

D

L

Q

N

L

I

N

N

A

-

R

K

F

I

G

N

A

L

G

S

R

H

A

A

A

-

L

-

P

-

G

-

Q

-

D

-

G

-

L

-

R

E

A

S

A

H

M

L

D

D

A

E

A

F

D

D

G

I

L

I

I

I

H

N

A

T

T

T

P

P

T

A

G

G

M

M

A

N

K

G

F

N

P

T

G

D

L

S

P

V

L

I

P

S

A

L

D

N

M

R

L

L

H

A

A

S

R

H

L

T

W

L

V

V

A

S

E

D

I

I

V

V

Y
|
Y

F

N

P

P

L

Y

E

K

T

T

E

P

L

I

L

L

R

I

R

E

A

A

R

E

A

Q

I

R

G

G

C

N

R

P

T

I

L

Y

D

N

G

G

G

L

G

D

M

M

A

F

V

V

F

H

Q
|
Q

A

G

V

A

D

E

A

S

F

F

R

K

L

I

F

W

T

T

G

N

V

L

S

E

P

P

D

D

A

I

E

K

R

A

V

M

R

K

SLS 13:15 (≠ SRT 26:28) binding shikimate
T60 (= T78) binding shikimate
N85 (= N103) binding shikimate
D100 (= D118) binding shikimate
Y211 (= Y239) 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 (= Q267) binding shikimate

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
26% identity, 90% coverage: 18:286/299 of query aligns to 5:249/258 of 3dooA

query
sites
3dooA

L

V

I

I

G

G

A

N

G

P

I

I

Q

S

A

H

S
|
S

R

L

T
x
S

P

P

A

L

M

M

H

H

E

H

R

A

E

N

A

F

D

Q

A

S

L

L

G

N

L

L

R

E

C

N

L

T

Y

Y

R

E

L

A

I

I

D

N

L

V

D

P

R

-

L

-

G

-

L

-

G

-

P

V

D

N

A

Q

L

F

P

Q

D

D

L

I

L

K

G

I

A

I

E

S

R

E

M

K

G

S

Y

I

T

D

G

G

L

F

N
|
N

I

V

T
|
T

Y

I

P

P

C

H

K
|
K

Q

E

A

R

I

I

P

P

L

Y

L

L

D

D

A

D

L

I

S

N

D

E

D

Q

A

A

R

K

A

S

I

V

G

G

A

A

V

V

N
|
N

T

T

V

V

V

L

L

V

R

K

D

D

G

G

R

K

R

W

V

I

G

G

H

Y

N

N

T

T

D
|
D

C

G

S

I

G

G

F

Y

A

V

E

N

G

G

F

L

R

K

R

Q

G

I

L

Y

G

E

K

G

V

I

P

E

M

D

E

A

R

Y

V

I

V

L

L

I

L

L

G

G

A

A

G

G

A

A

G

S

A

K

A

G

V

I

G

A

H

N

A

E

A

L

F

Y

H

K

L

I

G

V

I

R

G

P

R

T

L

L

D

T

I

V

F

A

D

N

A

R

D

T

P

M

A

S

R

R

A

F

A

N

L

N

L

W

A

S

D

L

Q

N

L

I

N

N

A

-

R

K

F

I

G

N

A

L

G

S

R

H

A

A

A

-

L

-

P

-

G

-

Q

-

D

-

G

-

L

-

R

E

A

S

A

H

M

L

D

D

A

E

A

F

D

D

G

I

L

I

I

I

H

N

A

T

T

T

P

P

T

V

G

-

M

-

A

-

K

-

F

-

P

-

G

-

L

-

P

-

L

I

P

S

A

L

D

N

M

R

L

L

H

A

A

S

R

H

L

T

W

L

V

V

A

S

E

D

I

I

V

V

Y

Y

F

N

P

P

L

Y

E

K

T

T

E

P

L

I

L

L

R

I

R

E

A

A

R

E

A

Q

I

R

G

G

C

N

R

P

T

I

L

Y

D

N

G

G

G

L

G

D

M

M

A
x
F

V

V

F

H

Q
|
Q

A

G

V

A

D

E

A

S

F

F

R

K

L

I

F

W

T

T

G

N

V

L

S

E

P

P

D

D

A

I

E

K

R

A

V

M

R

K

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S13 (= S26), S15 (≠ T28), N58 (= N76), T60 (= T78), K64 (= K82), N85 (= N103), D100 (= D118), F227 (≠ A264), Q230 (= Q267)

2ev9B Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP(h) and shikimate (see paper)
32% identity, 88% coverage: 18:281/299 of query aligns to 6:249/263 of 2ev9B

query
sites
2ev9B

L

V

I

L

G

G

A

H

G

P

I

V

Q

A

A

H

S
|
S

R

L

T
x
S

P

P

A

A

M

M

H

H

E

A

R

F

E

A

A

L

D

E

A

S

L

L

G

G

L

L

R

E

C

G

L

S

Y

Y

R

E

L

A

I

W

D

D

L

T

D

P

R

L

L

-

G

-

L

-

G

-

P

-

D

E

A

A

L

L

P

P

D

G

L

R

L

L

L

K

G

E

A

V

E

R

R

R

M

-

G

A

Y

F

T

R

G

G

L

V

N
|
N

I

L

T
|
T

Y

L

P

P

C

L

K
|
K

Q

E

A

A

I

A

I

L

P

A

L

H

L

L

D

D

A

W

L

V

S

S

D

P

D

E

A

A

R

Q

A

R

I

I

G

G

A

A

V

V

N
|
N

T

T

V

V

V

L

L

Q

R

V

D

E

G

G

R

R

R

L

V

F

G

G

H

F

N

N

T

T

D
|
D

C

A

S

P

G

G

F

F

A

L

E

E

G

A

F

L

R

K

R

A

G

-

L

-

G

G

K

G

V

I

P

P

M

L

E

K

R

G

V

P

V

A

L

L

L

V

G

L

A

G

G

A

G

G

A

G

G

A

A

G

A

R

V

A

G

V

H

A

A

F

A

A

F

L

H

R

L

E

G

A

I

G

G

L

R

E

L

V

D

W

I

V

F

W

D

N

A

R

D

T

P

P

A

Q

R

R

A

A

A

L

L

A

L

L

A

A

D

E

Q

E

L

F

N

G

A

L

R

R

F

-

G

-

A

-

G

-

R

-

A

-

A

A

L

V

P

P

G

L

Q

E

D

K

G

A

L

R

R

E

A

A

A

R

M

L

D

-

A

-

D

-

G

-

L

L

I

V

H

N

A

A

T

T

P

R

T

V

G

G

M

L

A

E

K

D

F

P

P

S

G

A

L

S

P

P

L

L

P

P

A

A

D

E

M

L

L

F

H

P

A

E

R

E

L

G

W

A

V

A

A

V

E

D

I

L

V

V

Y

Y

F

R

P

P

L

L

E

W

T

T

E

R

L

F

L

L

R

R

R

E

A

A

R

K

A

A

I

K

G

G

C

L

R

K

T

V

L

Q

D

T

G

G

G

L

G

P

M

M

A

L

V

A

F

W

Q
|
Q

A

G

V

A

D

L

A

A

F

F

R

R

L

L

F

W

T

T

G

G

V

L

S

L

P

P

D

D

active site: K64 (= K82), D100 (= D118)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S26), S16 (≠ T28), N58 (= N76), T60 (= T78), K64 (= K82), N85 (= N103), D100 (= D118), Q235 (= Q267)

Q5SJF8 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8) (see paper)
32% identity, 88% coverage: 18:281/299 of query aligns to 6:249/263 of Q5SJF8

query
sites
Q5SJF8

L

V

I

L

G

G

A

H

G

P

I

V

Q

A

A

H

S
|
S

R
x
L

T
x
S

P

P

A

A

M

M

H

H

E

A

R

F

E

A

A

L

D

E

A

S

L

L

G

G

L

L

R

E

C

G

L

S

Y

Y

R

E

L

A

I

W

D

D

L

T

D

P

R

L

L

-

G

-

L

-

G

-

P

-

D

E

A

A

L

L

P

P

D

G

L

R

L

L

L

K

G

E

A

V

E

R

R

R

M

-

G

A

Y

F

T

R

G

G

L

V

N

N

I

L

T
|
T

Y

L

P

P

C

L

K
|
K

Q

E

A

A

I

A

I

L

P

A

L

H

L

L

D

D

A

W

L

V

S

S

D

P

D

E

A

A

R

Q

A

R

I

I

G

G

A

A

V

V

N
|
N

T

T

V

V

V

L

L

Q

R

V

D

E

G

G

R

R

R

L

V

F

G

G

H

F

N

N

T

T

D
|
D

C

A

S

P

G

G

F

F

A

L

E

E

G

A

F

L

R

K

R

A

G

-

L

-

G

G

K

G

V

I

P

P

M

L

E

K

R

G

V

P

V

A

L

L

L

V

G

L

A
x
G

G
x
A

G
|
G

A
x
G

G
x
A

A

G

A

R

V

A

G

V

H

A

A

F

A

A

F

L

H

R

L

E

G

A

I

G

G

L

R

E

L

V

D

W

I

V

F

W

D
x
N

A
x
R

D
x
T

P
|
P

A
x
Q

R
|
R

A

A

A

L

L

A

L

L

A

A

D

E

Q

E

L

F

N

G

A

L

R

R

F

-

G

-

A

-

G

-

R

-

A

-

A

A

L

V

P

P

G

L

Q

E

D

K

G

A

L

R

R

E

A

A

A

R

M

L

D

-

A

-

D

-

G

-

L

L

I

V

H

N

A

A

T

T

P

R

T

V

G

G

M

L

A

E

K

D

F

P

P

S

G

A

L

S

P

P

L

L

P

P

A

A

D

E

M

L

L

F

H

P

A

E

R

E

L

G

W

A

V

A

A

V

E

D

I
x
L

V

V

Y
|
Y

F

R

P

P

L

L

E

W

T

T

E

R

L

F

L

L

R

R

R

E

A

A

R

K

A

A

I

K

G

G

C

L

R

K

T

V

L

Q

D

T

G
|
G

G

L

G

P

M

M

A

L

V

A

F

W

Q
|
Q

A

G

V

A

D

L

A

A

F

F

R

R

L

L

F

W

T

T

G

G

V

L

S

L

P

P

D

D

SLS 14:16 (≠ SRT 26:28) binding shikimate
T60 (= T78) binding shikimate
K64 (= K82) active site, Proton acceptor
N85 (= N103) binding shikimate
D100 (= D118) binding shikimate
GAGGA 123:127 (≠ AGGAG 143:147) binding NADP(+)
NRTPQR 146:151 (≠ DADPAR 166:171) binding NADP(+)
L205 (≠ I237) binding NADP(+)
Y207 (= Y239) binding shikimate
G228 (= G260) binding NADP(+)
Q235 (= Q267) binding shikimate

Query Sequence

>WP_012977282.1 NCBI__GCF_000010725.1:WP_012977282.1
MNAIPRPSSVAPSILAGLIGAGIQASRTPAMHEREADALGLRCLYRLIDLDRLGLGPDAL
PDLLLGAERMGYTGLNITYPCKQAIIPLLDALSDDARAIGAVNTVVLRDGRRVGHNTDCS
GFAEGFRRGLGKVPMERVVLLGAGGAGAAVGHAAFHLGIGRLDIFDADPARAALLADQLN
ARFGAGRAAALPGQDGLRAAMDAADGLIHATPTGMAKFPGLPLPADMLHARLWVAEIVYF
PLETELLRRARAIGCRTLDGGGMAVFQAVDAFRLFTGVSPDAERVRAHFASMDAGPPAT

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory