SitesBLAST

1kewA The crystal structure of dtdp-d-glucose 4,6-dehydratase (rmlb) from salmonella enterica serovar typhimurium with thymidine diphosphate bound (see paper)
60% identity, 95% coverage: 1:328/346 of query aligns to 1:340/361 of 1kewA

query
sites
1kewA

M

M

K

K

L

I

L

L

V

I

T

T

G
|
G

G

G

A
|
A

G
|
G

F
|
F

I
|
I

G

G

S

S

A

A

V

V

R

R

Q

H

A

I

I

I

R

K

D

N

G

T

H

Q

Q

D

-

T

V

V

N

N

L

I

D
|
D

A
x
K

L
|
L

T
|
T

Y

Y

A
|
A

A
x
G

C

N

L

L

D

E

N

S

V

L

A

S

S

D

V

I

A

S

D

E

S

S

P

N

A

R

Y

Y

A

N

F

F

E

E

H

H

V
x
A

D
|
D

I
|
I

R

C

D

D

R

S

A

A

A

E

L

I

D

T

R

R

V

I

F

F

A

E

T

Q

H

Y

A

Q

P

P

D

D

A

A

V

V

M

M

H

H

L
|
L

A
|
A

E

E

S
|
S

H
|
H

V
|
V

D

D

R

R

S

S

I

I

D

T

G

G

P

P

G

A

D

A

F

F

I

I

E

E

T
|
T

N

N

I

I

T

V

G

G

T

T

Y

Y

N

A

M

L

L

L

E

E

A

V

A

A

R

R

S

K

H

Y

W

W

-

S

-

A

V

L

G

G

Q

E

G

D

R

K

P

K

E

N

D

N

F

F

R

R

F

F

H

H

I
|
I

S
|
S

T
|
T

D
|
D

E
|
E

V

V

F

Y

G

G

S

D

L

L

G

P

P

H

T

P

G

D

Q

E

-

V

-

E

-

N

-

S

-

V

-

T

-
x
L

-

P

-
x
L

F
|
F

T

T

E

E

E
x
T

T

T

P

A

Y

Y

D

A

P

P

R

S

S

S

P

P

Y
|
Y

S

S

A

A

S

S

K
|
K

A

A

A

S

S

S

D

D

H

H

L

L

V

V

R

R

A

A

W

W

H

R

E

R

T

T

Y

Y

G

G

L

L

P

P

V

T

V

I

M

V

T

T

N

N

C
|
C

S
|
S

N
|
N

Y

Y

G

G

P

P

F

Y

H

H

F

F

P

P

E

E

K
|
K

L
|
L

V

I

P

P

V

L

I

V

I

I

L

L

K

N

A

A

L

L

A

E

G

G

E

K

P

P

L

L

P
|
P

I
|
I

Y
|
Y

G

G

D

K

G

G

S

D

N

Q

V

I

R
|
R

D

D

W

W

L

L

Y

Y

V

V

E

E

D

D

H

H

A

A

D

R

A

A

L

L

L

H

L

M

V

V

Q

T

K

E

G

G

V

K

V

A

G

G

R

E

S

T

Y

Y

N

N

I

I

G

G

E

H

N

N

E

E

R

K

T

K

N
|
N

L

L

Q

D

L

V

V

V

Q

F

T

T

L

I

C

C

G

D

I

L

L

L

D

D

E

E

L

I

R

V

P

P

G

K

P

A

R

T

P

S

Y

Y

A

R

E

E

Q

Q

I

I

S

T

F

Y

V

V

T

A

D

D

R
|
R

P

P

G

G

H
|
H

D

D

A

R

R

R

Y

Y

A

A

I

I

D

D

P

A

T

G

R

K

I

I

A

S

T

R

E

E

L

L

G

G

W

W

R

K

P

P

S

L

V

E

T

T

V

F

E

E

E

S

G

G

L

I

R

R

R

K

T

T

V

V

Q

E

W

W

Y

Y

L

L

D

A

N

N

E

T

A

Q

W

W

active site: T133 (= T130), D134 (= D131), E135 (= E132), L152 (vs. gap), L154 (vs. gap), F155 (= F143), T158 (≠ E146), Y167 (= Y155), K171 (= K159)
binding nicotinamide-adenine-dinucleotide: G7 (= G7), A9 (= A9), G10 (= G10), F11 (= F11), I12 (= I12), D32 (= D31), K33 (≠ A32), L34 (= L33), T35 (= T34), A37 (= A36), G38 (≠ A37), A57 (≠ V56), D58 (= D57), I59 (= I58), L80 (= L79), A81 (= A80), A82 (= A81), S84 (= S83), T99 (= T98), I131 (= I128), S132 (= S129), T133 (= T130), Y167 (= Y155), K171 (= K159), C194 (= C182), S195 (= S183), N196 (= N184), N197 (= N185)
binding thymidine-5'-diphosphate: H85 (= H84), V86 (= V85), E135 (= E132), N196 (= N184), K206 (= K194), L207 (= L195), P222 (= P210), I223 (= I211), Y224 (= Y212), R231 (= R219), N266 (= N254), R297 (= R285), H300 (= H288)

Sites not aligning to the query:

binding thymidine-5'-diphosphate: 357

1keuA The crystal structure of dtdp-d-glucose 4,6-dehydratase (rmlb) from salmonella enterica serovar typhimurium with dtdp-d-glucose bound (see paper)
60% identity, 95% coverage: 1:328/346 of query aligns to 1:340/361 of 1keuA

query
sites
1keuA

M

M

K

K

L

I

L

L

V

I

T

T

G
|
G

G

G

A
|
A

G
|
G

F
|
F

I
|
I

G

G

S

S

A

A

V

V

R

R

Q

H

A

I

I

I

R

K

D

N

G

T

H

Q

Q

D

-

T

V

V

N

N

L

I

D
|
D

A
x
K

L
|
L

T
|
T

Y

Y

A
|
A

A
x
G

C

N

L

L

D

E

N

S

V

L

A

S

S

D

V

I

A

S

D

E

S

S

P

N

A

R

Y

Y

A

N

F

F

E

E

H

H

V
x
A

D
|
D

I
|
I

R

C

D

D

R

S

A

A

A

E

L

I

D

T

R

R

V

I

F

F

A

E

T

Q

H

Y

A

Q

P

P

D

D

A

A

V

V

M

M

H

H

L
|
L

A
|
A

E

E

S
|
S

H
|
H

V
|
V

D

D

R

R

S

S

I

I

D

T

G

G

P

P

G

A

D

A

F

F

I

I

E

E

T
|
T

N

N

I

I

T

V

G

G

T

T

Y

Y

N

A

M

L

L

L

E

E

A

V

A

A

R

R

S

K

H

Y

W

W

-

S

-

A

V

L

G

G

Q

E

G

D

R

K

P

K

E

N

D

N

F

F

R

R

F

F

H

H

I
|
I

S
|
S

T
|
T

D
|
D

E
|
E

V

V

F

Y

G

G

S

D

L

L

G

P

P

H

T

P

G

D

Q

E

-

V

-

E

-

N

-

S

-

V

-

T

-
x
L

-

P

-
x
L

F
|
F

T

T

E

E

E
x
T

T

T

P

A

Y

Y

D

A

P

P

R

S

S

S

P

P

Y
|
Y

S

S

A

A

S

S

K
|
K

A

A

A

S

S

S

D

D

H

H

L

L

V

V

R

R

A

A

W

W

H

R

E

R

T

T

Y

Y

G

G

L

L

P

P

V

T

V

I

M

V

T

T

N

N

C
|
C

S
|
S

N
|
N

Y

Y

G

G

P

P

F

Y

H

H

F

F

P

P

E

E

K
|
K

L
|
L

V

I

P

P

V

L

I

V

I

I

L

L

K

N

A

A

L

L

A

E

G

G

E

K

P

P

L

L

P
|
P

I
|
I

Y
|
Y

G

G

D

K

G

G

S

D

N

Q

V

I

R
|
R

D

D

W

W

L

L

Y

Y

V

V

E

E

D

D

H

H

A

A

D

R

A

A

L

L

L

H

L

M

V

V

Q

T

K

E

G

G

V

K

V

A

G

G

R

E

S

T

Y

Y

N

N

I

I

G

G

E

H

N

N

E

E

R

K

T

K

N
|
N

L

L

Q

D

L

V

V

V

Q

F

T

T

L

I

C

C

G

D

I

L

L

L

D

D

E

E

L

I

R

V

P

P

G

K

P

A

R

T

P

S

Y

Y

A

R

E

E

Q

Q

I

I

S

T

F

Y

V

V

T

A

D

D

R
|
R

P

P

G

G

H
|
H

D

D

A

R

R

R

Y
|
Y

A

A

I

I

D

D

P

A

T

G

R

K

I

I

A

S

T

R

E

E

L

L

G

G

W

W

R

K

P

P

S

L

V

E

T

T

V

F

E

E

E

S

G

G

L

I

R

R

R

K

T

T

V

V

Q

E

W

W

Y

Y

L

L

D

A

N

N

E

T

A

Q

W

W

active site: T133 (= T130), D134 (= D131), E135 (= E132), L152 (vs. gap), L154 (vs. gap), F155 (= F143), T158 (≠ E146), Y167 (= Y155), K171 (= K159)
binding 2'deoxy-thymidine-5'-diphospho-alpha-d-glucose: S84 (= S83), H85 (= H84), V86 (= V85), T133 (= T130), D134 (= D131), E135 (= E132), Y167 (= Y155), S195 (= S183), N196 (= N184), K206 (= K194), L207 (= L195), P222 (= P210), I223 (= I211), Y224 (= Y212), R231 (= R219), N266 (= N254), R297 (= R285), H300 (= H288), Y304 (= Y292)
binding nicotinamide-adenine-dinucleotide: G7 (= G7), A9 (= A9), G10 (= G10), F11 (= F11), I12 (= I12), D32 (= D31), K33 (≠ A32), L34 (= L33), T35 (= T34), A37 (= A36), G38 (≠ A37), A57 (≠ V56), D58 (= D57), I59 (= I58), L80 (= L79), A81 (= A80), A82 (= A81), S84 (= S83), T99 (= T98), I131 (= I128), S132 (= S129), T133 (= T130), Y167 (= Y155), K171 (= K159), C194 (= C182), S195 (= S183), N196 (= N184), N197 (= N185)

Sites not aligning to the query:

binding 2'deoxy-thymidine-5'-diphospho-alpha-d-glucose: 357

P26391 dTDP-glucose 4,6-dehydratase; EC 4.2.1.46 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) (see 2 papers)
60% identity, 95% coverage: 1:328/346 of query aligns to 1:340/361 of P26391

query
sites
P26391

M

M

K

K

L

I

L

L

V

I

T

T

G

G

A

A

G

G

F
|
F

I
|
I

G

G

S

S

A

A

V

V

R

R

Q

H

A

I

I

I

R

K

D

N

G

T

H

Q

Q

D

-

T

V

V

N

N

L

I

D
|
D

A
x
K

L
|
L

T
|
T

Y

Y

A

A

A

G

C

N

L

L

D

E

N

S

V

L

A

S

S

D

V

I

A

S

D

E

S

S

P

N

A

R

Y

Y

A

N

F

F

E

E

H

H

V

A

D
|
D

I
|
I

R

C

D

D

R

S

A

A

A

E

L

I

D

T

R

R

V

I

F

F

A

E

T

Q

H

Y

A

Q

P

P

D

D

A

A

V

V

M

M

H

H

L
|
L

A
|
A

E
|
E

S
|
S

H

H

V

V

D

D

R

R

S

S

I

I

D

T

G

G

P

P

G

A

D

A

F

F

I

I

E

E

T
|
T

N

N

I

I

T

V

G

G

T

T

Y

Y

N

A

M

L

L

L

E

E

A

V

A

A

R

R

S

K

H

Y

W

W

-

S

-

A

V

L

G

G

Q

E

G

D

R

K

P

K

E

N

D

N

F

F

R

R

F

F

H

H

I

I

S

S

T
|
T

D

D

E

E

V

V

F

Y

G

G

S

D

L

L

G

P

P

H

T

P

G

D

Q

E

-

V

-

E

-

N

-

S

-

V

-

T

-

L

-

P

-

L

F

F

T

T

E

E

E

T

T

T

P

A

Y

Y

D

A

P

P

R

S

S

S

P

P

Y
|
Y

S
|
S

A
|
A

S
|
S

K
|
K

A

A

A

S

S

S

D

D

H

H

L

L

V

V

R

R

A

A

W

W

H

R

E

R

T

T

Y

Y

G

G

L

L

P

P

V

T

V

I

M

V

T

T

N

N

C

C

S

S

N
|
N

Y

Y

G

G

P

P

F

Y

H

H

F

F

P

P

E

E

K
|
K

L
|
L

V

I

P

P

V

L

I

V

I

I

L

L

K

N

A

A

L

L

A

E

G

G

E

K

P

P

L

L

P
|
P

I
|
I

Y
|
Y

G

G

D

K

G

G

S

D

N

Q

V

I

R
|
R

D

D

W

W

L

L

Y

Y

V

V

E

E

D

D

H

H

A

A

D

R

A

A

L

L

L

H

L

M

V

V

Q

T

K

E

G

G

V

K

V

A

G

G

R

E

S

T

Y

Y

N

N

I

I

G

G

E

H

N

N

E

E

R

K

T

K

N
|
N

L

L

Q

D

L

V

V

V

Q

F

T

T

L

I

C

C

G

D

I

L

L

L

D

D

E

E

L

I

R

V

P

P

G

K

P

A

R

T

P

S

Y

Y

A

R

E

E

Q

Q

I

I

S

T

F

Y

V

V

T

A

D
|
D

R
|
R

P
|
P

G
|
G

H
|
H

D

D

A

R

R

R

Y

Y

A

A

I

I

D

D

P

A

T

G

R

K

I

I

A

S

T

R

E

E

L

L

G

G

W

W

R

K

P

P

S

L

V

E

T

T

V

F

E

E

E

S

G

G

L

I

R

R

R

K

T

T

V

V

Q

E

W

W

Y

Y

L

L

D

A

N

N

E

T

A

Q

W

W

FI 11:12 (= FI 11:12) binding
DKLT 32:35 (≠ DALT 31:34) binding
DI 58:59 (= DI 57:58) binding
LAAES 80:84 (= LAAES 79:83) binding
S84 (= S83) binding
T99 (= T98) binding
T133 (= T130) binding
YSASK 167:171 (= YSASK 155:159) binding
N196 (= N184) binding
N197 (= N185) binding
KL 206:207 (= KL 194:195) binding
PIY 222:224 (= PIY 210:212) binding
R231 (= R219) binding
N266 (= N254) binding
DRPGH 296:300 (= DRPGH 284:288) binding

Sites not aligning to the query:

357 binding

1bxkB Dtdp-glucose 4,6-dehydratase from e. Coli
61% identity, 98% coverage: 2:341/346 of query aligns to 3:344/344 of 1bxkB

query
sites
1bxkB

K

K

L

I

L

L

V

I

T

T

G
|
G

G

G

A
|
A

G
|
G

F
|
F

I
|
I

G

G

S

S

A

A

V

L

V

V

R

R

Q

Y

A

I

I

I

R

N

D

E

-

T

G

S

H

D

Q

A

V

V

N

V

L

V

D
|
D

A
x
K

L
|
L

T
|
T

Y

Y

A
|
A

A
x
G

C

N

L

L

D

M

N

S

V

L

A

A

S

P

V

V

A

A

D

Q

S

S

P

E

A

R

Y

F

A

A

F

F

E

E

H

K

V
|
V

D
|
D

I
|
I

R

C

D

D

R

R

A

A

A

E

L

L

D

A

R

R

V

V

F

F

A

T

T

E

H

H

A

Q

P

P

D

D

A

C

V

V

M

M

H

H

L
|
L

A
|
A

E

E

S

S

H

H

V

V

D

D

R

R

S

S

I

I

D

D

G

G

P

P

G

A

D

A

F

F

I

I

E

E

T
|
T

N

N

I

I

T

V

G

G

T

T

Y

Y

N

T

M

L

L

L

E

E

A

A

R

R

S

A

H

Y

W

W

-

N

-

A

V

L

G

T

Q

E

G

D

R

K

P

K

E
x
S

D

A

F

F

R

R

F

F

H

H

I
|
I

S
|
S

T
|
T

D
|
D

E
|
E

V

V

F

Y

G

G

S

D

L

L

G

H

P

S

T

T

G

D

Q

D

F

F

-

F

T

T

E

E

E

T

T

T

P

P

Y

Y

D

A

P

P

R

S

S
|
S

P

P

Y
|
Y

S
|
S

A

A

S

S

K
|
K

A

A

A

S

S

S

D

D

H

H

L

L

V

V

R

R

A

A

W

W

H

L

E

R

T

T

Y

Y

G

G

L

L

P

P

V

T

V

L

M

I

T

T

N

N

C
|
C

S
|
S

N
|
N

Y

Y

G

G

P

P

F

Y

H

H

F

F

P

P

E

E

K

K

L

L

V

I

P

P

V

L

I

M

I

I

L

L

K

N

A

A

L

L

A

A

G

G

E

K

P

S

L

L

P

P

I

V

Y

Y

G

G

D

N

G

G

S

Q

N

Q

V

I

R

R

D

D

W

W

L

L

Y

Y

V

V

E

E

D

D

H

H

A

A

D

R

A

A

L

L

L

Y

L

C

V

V

V

A

Q

T

K

T

G

G

V

K

V

V

G

G

R

E

S

T

Y

Y

N

N

I

I

G

G

E

H

N

N

E

E

R

R

T

K

N

N

L

L

Q

D

L

V

V

V

Q

E

T

T

L

I

C

C

G

E

I

L

L

L

D

E

E

E

L

L

R

A

P

P

-

N

-

K

-

P

-

H

G

G

P

V

R

A

P

H

Y

Y

A

R

E

D

Q

L

I

I

S

T

F

F

V

V

T

A

D

-

R

-

P

-

G

-

H

-

D

-

A

L

R

R

Y

Y

A

A

I

I

D

D

P

A

T

S

R

K

I

I

A

A

T

R

E

E

L

L

G

G

W

C

R

V

P

P

S

Q

V

E

T

T

V

F

E

E

E

S

G

G

L

M

R

R

R

K

T

T

V

V

Q

Q

W

W

Y

Y

L

L

D

A

N

N

E

E

A

S

W

W

R

K

A

Q

L

V

Q

Q

D

D

R

G

D

S

G

Y

V

Q

G

G

R

E

R

R

active site: S125 (≠ E121), T134 (= T130), D135 (= D131), E136 (= E132), S158 (= S153), Y160 (= Y155), S161 (= S156), K164 (= K159)
binding nicotinamide-adenine-dinucleotide: G8 (= G7), A10 (= A9), G11 (= G10), F12 (= F11), I13 (= I12), D33 (= D31), K34 (≠ A32), L35 (= L33), T36 (= T34), A38 (= A36), G39 (≠ A37), V58 (= V56), D59 (= D57), I60 (= I58), L81 (= L79), A82 (= A80), A83 (= A81), T100 (= T98), I132 (= I128), S133 (= S129), T134 (= T130), Y160 (= Y155), K164 (= K159), C187 (= C182), S188 (= S183), N189 (= N184), N190 (= N185)

8du1A Crystal structure of NAD bound dtdp-glucose 4,6-dehydratase from elizabethkingia anophelis
53% identity, 97% coverage: 3:336/346 of query aligns to 6:351/361 of 8du1A

query
sites
8du1A

L

I

V

I

T

T

G
|
G

G

G

A
|
A

G
|
G

F
|
F

I
|
I

G

G

S

S

A

H

V

V

R

R

Q

E

A

F

I

V

R

I

D

K

G

N

H

P

Q

E

V

I

-

T

-

I

V

I

N

N

L

L

D
|
D

A
|
A

L
|
L

T
|
T

Y

Y

A
|
A

A
x
G

C

N

L

L

D

E

N

N

V

L

A

K

S

D

V

I

A

E

D

N

S

F

P

P

A

N

Y

Y

A

V

F

F

E

E

H

K

V
x
A

D
|
D

I
|
I

R

T

D

K

R

P

A

E

L

L

D

R

R

K

V

V

F

F

A

E

T

K

H

Y

A

N

P

P

D

D

A

A

V

V

M

V

H

H

L
|
L

A
|
A

E

E

S

S

H

H

V

V

D

D

R

R

S

S

I

I

D

T

G

D

P

P

G

N

D

A

F

F

I

I

E

N

T
|
T

N

N

I

V

T

I

G

G

T

T

Y

A

N

N

M

L

L

L

E

N

A

L

A

C

R

R

S

E

H

F

W

W

V

T

-

L

-

N

-

P

-

E

-

H

G

T

Q

H

G

G

R

R

-

F

-

P

-

N

-

E

P

P

E

R

D

T

F

N

R

L

F

F

H

Y

H

H

I
x
V

S
|
S

T
|
T

D

D

E

E

V

V

F

Y

G

G

S

S

L

L

G

G

P

E

T

T

G

G

Q

F

F

F

T

L

E

E

E

T

T

T

P

A

Y

Y

D

D

P

P

R

Q

S

S

P

P

Y
|
Y

S

S

A

A

S

S

K
|
K

A

A

S

S

D

D

H

H

L

L

V

V

R

R

A

A

W

Y

H

G

E

N

T

T

Y

Y

G

G

L

M

P

P

V

F

V

I

M

V

T

S

N

N

C
|
C

S
|
S

N
|
N

Y

Y

G

G

P

P

F

N

H

H

F

F

P

P

E

E

K

K

L

L

V

I

P

P

V

L

I

C

I

I

L

S

K

N

A

I

L

L

A

N

G

E

E

K

P

P

L

L

P

P

I

I

Y

Y

G

G

D

D

G

G

S

K

N

Y

V

T

R

R

D

D

W

W

L

L

Y

Y

V

V

E

I

D

D

H

H

A

A

D

R

A

A

L

I

L

H

L

Q

V

I

V

F

Q

N

K

E

G

A

V

K

V

T

G

G

R

E

S

T

Y

Y

N

N

I

I

G

G

E

F

N

N

E

E

R

W

T

Q

N

N

L

I

Q

D

L

L

V

V

Q

K

T

E

L

L

C

I

G

K

I

Q

L

L

D

D

E

A

L

K

R

L

P

G

G

K

P

P

R

E

P

G

Y

H

A

S

E

E

Q

K

-

L

I

I

S

T

F

F

V

V

T

K

D

D

R

R

P

P

G

G

H

H

D

D

A

K

R

R

Y

Y

A

A

I

I

D

D

P

A

T

T

R

K

I

L

A

N

T

K

E

D

L

L

G

G

W

W

R

K

P

P

S

S

V

V

T

T

V

F

E

E

G

G

L

L

R

A

R

K

T

T

V

I

Q

D

W

W

Y

Y

L

L

D

D

N

N

E

K

A

E

W

W

W

L

R

E

A

N

L

V

Q

T

D

S

R

G

D

D

binding nicotinamide-adenine-dinucleotide: G10 (= G7), A12 (= A9), G13 (= G10), F14 (= F11), I15 (= I12), D36 (= D31), A37 (= A32), L38 (= L33), T39 (= T34), A41 (= A36), G42 (≠ A37), A61 (≠ V56), D62 (= D57), I63 (= I58), L84 (= L79), A85 (= A80), A86 (= A81), T103 (= T98), V142 (≠ I128), S143 (= S129), T144 (= T130), Y169 (= Y155), K173 (= K159), C196 (= C182), S197 (= S183), N198 (= N184), N199 (= N185)

6bi4A 2.9 angstrom resolution crystal structure of dtdp-glucose 4,6- dehydratase (rfbb) from bacillus anthracis str. Ames in complex with NAD. (see paper)
44% identity, 96% coverage: 1:333/346 of query aligns to 2:311/311 of 6bi4A

query
sites
6bi4A

M

M

K

N

L

I

L

L

V

V

T

T

G
|
G

G

G

A
|
A

G
|
G

F
|
F

I
|
I

G

G

S

S

A

N

V

F

V

V

R

H

Q

Y

A

M

I

L

R

Q

-

S

-

Y

D

E

G

T

H

Y

Q

K

V

I

N

N

L

F

D
|
D

A
|
A

L
|
L

T
|
T

Y

Y

A
x
S

A
x
G

C

N

L

L

D

N

N

N

V

V

A

K

S

S

V

I

A

Q

D

D

S

H

P

P

A

N

Y

Y

A

Y

F

F

E

V

H

K

V
x
G

D
x
E

I
|
I

R
x
Q

D
x
N

R
x
G

A
x
E

A

L

L

L

D

E

R

H

V

V

F

I

A

K

T

E

H

R

A

D

P

V

D

Q

A

V

V

I

M

V

H

N

L
x
F

A
|
A

E

E

S

S

H

I

V

-

D

-

R

-

S

-

I

-

D

-

G

-

P

-

G

-

D

P

F

F

I

Y

E

D

T
|
T

N

N

I

V

T

I

G

G

T

T

Y

V

N

T

M

L

L

L

E

E

A

L

A

V

R

K

S

K

H

Y

W

-

V

-

G

-

Q

-

G

-

R

-

P

-

E

P

D

H

F

I

R

K

F

L

H

V

H

Q

I
x
V

S
|
S

T
|
T

D
|
D

E
|
E

V

V

F

Y

G

G

S

S

L

L

G

G

P

K

T

T

G

G

Q

R

F

F

T

T

E

E

T

T

P

P

Y

L

D

A

P

P

R

N

S

S

P

P

Y
|
Y

S

S

A

S

S

S

K
|
K

A

A

A

S

S

A

D

D

H

M

L

I

V

A

R

L

A

A

W

Y

H

Y

E

K

T

T

Y

Y

G

Q

L

L

P

P

V

V

V

I

M

V

T

T

N

R

C
|
C

S
|
S

N
|
N

Y

Y

G

G

P

P

F

Y

H

Q

F

Y

P

P

E

E

K

K

L

L

V

I

P

P

V

L

I

M

I

V

L

T

K

N

A

A

L

L

A

E

G

G

E

K

P

K

L

L

P

P

I

L

Y

Y

G

G

D

D

G

G

S

L

N

N

V

V

R

R

D

D

W

W

L

L

Y

H

V

V

E

T

D

D

H

H

A

C

D

S

A

A

L

I

L

D

L

V

V

V

V

L

Q

H

K

K

G

G

V

R

V

V

G

G

R

E

S

V

Y

Y

N

N

I

I

G

G

E

N

N

N

E

E

R

K

T

T

N

N

L

V

Q

E

L

V

V

V

Q

E

T

Q

L

I

C

I

G

T

I

L

L

L

D

G

E

K

L

T

R

K

P

-

G

-

P

-

R

-

P

-

Y

-

A

-

E

K

Q

D

I

I

S

E

F

Y

V

V

T

T

D

D

R

-

P

-

G

G

H

H

D

D

A

R

R

R

Y

Y

A

A

I

I

D

N

P

A

T

E

R

K

I

M

A

K

T

N

E

E

L

F

G

D

W

W

R

E

P

P

S

K

V

Y

T

T

V

F

E

E

E

Q

G

G

L

L

R

Q

R

E

T

T

V

V

Q

Q

W

W

Y

Y

L

E

D

K

N

N

E

E

A

E

W

W

R

K

A

P

L

L

Q

K

active site: T117 (= T130), D118 (= D131), E119 (= E132), Y142 (= Y155), K146 (= K159)
binding alpha-D-glucopyranose: Q62 (≠ R59), N63 (≠ D60), G64 (≠ R61), E65 (≠ A62)
binding nicotinamide-adenine-dinucleotide: G8 (= G7), A10 (= A9), G11 (= G10), F12 (= F11), I13 (= I12), D34 (= D31), A35 (= A32), L36 (= L33), T37 (= T34), S39 (≠ A36), G40 (≠ A37), G59 (≠ V56), E60 (≠ D57), I61 (= I58), Q62 (≠ R59), F82 (≠ L79), A83 (= A80), A84 (= A81), T92 (= T98), V115 (≠ I128), S116 (= S129), T117 (= T130), Y142 (= Y155), K146 (= K159), C169 (= C182), S170 (= S183), N171 (= N184), N172 (= N185)

6bi4B 2.9 angstrom resolution crystal structure of dtdp-glucose 4,6- dehydratase (rfbb) from bacillus anthracis str. Ames in complex with NAD. (see paper)
44% identity, 96% coverage: 1:333/346 of query aligns to 2:310/310 of 6bi4B

query
sites
6bi4B

M

M

K

N

L

I

L

L

V

V

T

T

G
|
G

G

G

A
|
A

G
|
G

F
|
F

I
|
I

G

G

S

S

A

N

V

F

V

V

R

H

Q

Y

A

M

I

L

R

Q

-

S

-

Y

D

E

G

T

H

Y

Q

K

V

I

N

N

L

F

D
|
D

A
|
A

L
|
L

T
|
T

Y

Y

A
x
S

A
x
G

C

N

L

L

D

N

N

N

V

V

A

K

S

S

V

I

A

Q

D

D

S

H

P

P

A

N

Y

Y

A

Y

F

F

E

V

H

K

V
x
G

D
x
E

I
|
I

R
x
Q

D
x
N

R
x
G

A
x
E

A

L

L

L

D

E

R

H

V

V

F

I

A

K

T

E

H

R

A

D

P

V

D

Q

A

V

V

I

M

V

H

N

L
x
F

A
|
A

E

E

S

S

H

I

V

-

D

-

R

-

S

-

I

-

D

-

G

-

P

-

G

-

D

P

F

F

I

Y

E

D

T
|
T

N

N

I

V

T

I

G

G

T

T

Y

V

N

T

M

L

L

L

E

E

A

L

A

V

R

K

S

K

H

Y

W

-

V

-

G

-

Q

-

G

-

R

-

P

-

E

P

D

H

F

I

R

K

F

L

H

V

H

Q

I
x
V

S
|
S

T
|
T

D
|
D

E
|
E

V

V

F

Y

G

G

S

S

L

L

G

G

P

K

T

T

G

G

Q

R

F

F

T

T

E

E

T

T

P

P

Y

L

D

A

P

P

R

N

S

S

P

P

Y
|
Y

S

S

A

S

S

S

K
|
K

A

A

A

S

S

A

D

D

H

M

L

I

V

A

R

L

A

A

W

Y

H

Y

E

K

T

T

Y

Y

G

Q

L

L

P

P

V

V

V

I

M

V

T

T

N

R

C
|
C

S
|
S

N
|
N

Y

Y

G

G

P

P

F

Y

H

Q

F

Y

P

P

E

E

K

K

L

L

V

I

P

P

V

L

I

M

I

V

L

T

K

N

A

A

L

L

A

E

G

G

E

K

P

K

L

L

P

P

I

L

Y

Y

G

G

D

D

G

G

S

L

N

N

V

V

R

R

D

D

W

W

L

L

Y

H

V

V

E

T

D

D

H

H

A

C

D

S

A

A

L

I

L

D

L

V

V

V

V

L

Q

H

K

K

G

G

V

R

V

V

G

G

R

E

S

V

Y

Y

N

N

I

I

G

G

E

N

N

N

E

E

R

K

T

T

N

N

L

V

Q

E

L

V

V

V

Q

E

T

Q

L

I

C

I

G

T

I

L

L

L

D

G

E

K

L

T

R

K

P

-

G

-

P

-

R

-

P

-

Y

-

A

-

E

K

Q

D

I

I

S

E

F

Y

V

V

T

T

D

-

R

-

P

-

G

G

H

H

D

D

A

R

R

R

Y

Y

A

A

I

I

D

N

P

A

T

E

R

K

I

M

A

K

T

N

E

E

L

F

G

D

W

W

R

E

P

P

S

K

V

Y

T

T

V

F

E

E

E

Q

G

G

L

L

R

Q

R

E

T

T

V

V

Q

Q

W

W

Y

Y

L

E

D

K

N

N

E

E

A

E

W

W

R

K

A

P

L

L

Q

K

active site: T117 (= T130), D118 (= D131), E119 (= E132), Y142 (= Y155), K146 (= K159)
binding beta-D-fructofuranose: E60 (≠ D57), N63 (≠ D60)
binding alpha-D-glucopyranose: Q62 (≠ R59), N63 (≠ D60), G64 (≠ R61), E65 (≠ A62)
binding nicotinamide-adenine-dinucleotide: G8 (= G7), A10 (= A9), G11 (= G10), F12 (= F11), I13 (= I12), D34 (= D31), A35 (= A32), L36 (= L33), T37 (= T34), S39 (≠ A36), G40 (≠ A37), G59 (≠ V56), E60 (≠ D57), I61 (= I58), Q62 (≠ R59), F82 (≠ L79), A83 (= A80), A84 (= A81), T92 (= T98), V115 (≠ I128), S116 (= S129), T117 (= T130), Y142 (= Y155), K146 (= K159), C169 (= C182), S170 (= S183), N171 (= N184), N172 (= N185)

2hunA Crystal structure of hypothetical protein ph0414 from pyrococcus horikoshii ot3
46% identity, 97% coverage: 1:334/346 of query aligns to 2:318/329 of 2hunA

query
sites
2hunA

M

M

K

K

L

L

V

V

T

T

G
|
G

G

G

A
x
M

G
|
G

F
|
F

I
|
I

G

G

S

S

A

N

V

F

V

I

R

R

Q

Y

A

-

I

I

R

L

D

E

G

K

H

H

-

P

-

D

-

W

Q

E

V

V

V

I

N

N

L

I

D
|
D

A
x
K

L
|
L

T
x
G

Y
|
Y

A
x
G

A
x
S

C

N

L

P

D

A

N

N

V

L

A

K

S

D

V

L

A

E

D

D

S

D

P

P

A

R

Y

Y

A

T

F

F

E

V

H

K

V
x
G

D
|
D

I
x
V

R

A

D

D

R

Y

A

E

A

L

L

V

D

K

R

E

V

L

F

-

A

-

T

V

H

R

A

K

P

V

D

D

A

G

V

V

M

V

H

H

L
|
L

A
|
A

E

E

S
|
S

H

H

V

V

D

D

R

R

S

S

I

I

D

S

G

S

P

P

G

E

D

I

F

F

I

L

E

H

T
x
S

N

N

I

V

T

I

G

G

T

T

Y

Y

N

T

M

L

L

L

E

E

A

S

A

I

R

R

S

-

H

-

W

-

V

-

G

-

Q

R

G

E

R

N

P

P

E

E

D

-

F

V

R

R

F

F

H

V

H

H

I
x
V

S
|
S

T
|
T

D
|
D

E
|
E

V

V

F

Y

G

G

S

D

L

I

G

-

P

L

T

K

G

G

Q

S

F

F

T

T

E

E

E

N

T

D

P

R

Y

L

D

M

P

P

R

S

S

S

P

P

Y
|
Y

S

S

A

A

S

T

K
|
K

A

A

S

S

D

D

H

M

L

L

V

V

R

L

A

G

W

W

H

T

E

R

T

T

Y

Y

G

N

L

L

P

N

V

A

V

S

M

I

T

T

N

R

C
|
C

S
x
T

N
|
N

Y

Y

G

G

P

P

F

Y

H

Q

F

F

P

P

E

E

K

K

L

L

V

I

P

P

V

K

I

T

I

I

L

I

K

R

A

A

L

S

A

L

G

G

E

L

P

K

L

I

P

P

I

I

Y

Y

G

G

D

-

G

-

S

-

N

T

V

V

R

R

D

D

W

W

L

L

Y

Y

V

V

E

E

D

D

H

H

A

V

D

R

A

A

L

I

L

E

L

L

V

V

V

L

Q

L

K

K

G

G

V

E

V

S

G

R

R

E

S

I

Y

Y

N

N

I

I

G

S

G

A

E

G

N

E

E

E

R

K

T

T

N

N

L

L

Q

E

L

V

V

V

Q

K

T

I

L

I

C

L

G

R

I

L

L

M

D

G

E

K

L

-

R

-

P

-

G

-

P

-

R

-

P

-

Y

G

A

E

E

E

Q

L

I

I

S

E

F

L

V

V

T

E

D

D

R

R

P

P

G

G

H

H

D

D

A

L

R

R

Y

Y

A

S

I

L

D

D

P

S

T

W

R

K

I

I

A

T

T

R

E

D

L

L

G

K

W

W

R

R

P

P

S

K

V

Y

T

T

V

F

E

D

E

E

G

G

L

I

R

K

T

T

V

I

Q

D

W

W

Y

Y

L

L

D

K

N

N

E

E

A

W

W

W

R

K

A

P

L

L

Q

V

D

D

active site: T125 (= T130), D126 (= D131), E127 (= E132), Y149 (= Y155), K153 (= K159)
binding nicotinamide-adenine-dinucleotide: G8 (= G7), M10 (≠ A9), G11 (= G10), F12 (= F11), I13 (= I12), D34 (= D31), K35 (≠ A32), L36 (= L33), G37 (≠ T34), Y38 (= Y35), G39 (≠ A36), S40 (≠ A37), G59 (≠ V56), D60 (= D57), V61 (≠ I58), L80 (= L79), A81 (= A80), A82 (= A81), S84 (= S83), S99 (≠ T98), V123 (≠ I128), S124 (= S129), T125 (= T130), Y149 (= Y155), K153 (= K159), C176 (= C182), T177 (≠ S183), N178 (= N184), N179 (= N185)

1r66A Crystal structure of desiv (dtdp-glucose 4,6-dehydratase) from streptomyces venezuelae with NAD and tyd bound (see paper)
47% identity, 96% coverage: 1:333/346 of query aligns to 1:322/322 of 1r66A

query
sites
1r66A

M

M

K

R

L

L

V

V

T

T

G
|
G

G

G

A
|
A

G
|
G

F
|
F

I
|
I

G

G

S

S

A

H

V

F

V

V

R

R

Q

Q

A

L

I

L

R

A

D

G

G

A

H

Y

-

P

-

D

-

V

-

P

-

A

-

D

Q

E

V

V

V

I

N

V

L

L

D
|
D

A
x
S

L
|
L

T
|
T

Y

Y

A
|
A

A
x
G

C

N

L

R

D

A

N

N

V

L

A

A

S

P

V

V

A

D

D

A

S

D

P

P

A

R

Y

L

A

R

F

F

E

V

H

H

V
x
G

D
|
D

I
|
I

R
|
R

D

D

R

A

A

G

A

L

L

L

D

A

R

R

V

E

F

L

A

-

T

-

H

R

A

G

P

V

D

D

A

A

V

I

M

V

H

H

L
x
F

A
|
A

E

E

S
|
S

H
|
H

V
|
V

D

D

R

R

S

S

I

I

D

A

G

G

P

A

G

S

D

V

F

F

I

T

E

E

T
|
T

N

N

I

V

T

Q

G

G

T

T

Y

Q

N

T

M

L

L

L

E

Q

A

C

A

A

R

V

S

D

H

A

W

G

V

V

G

G

Q

-

G

-

R

-

P

-

E

-

D

-

F

-

R

R

F

V

H

V

H

H

I
x
V

S
|
S

T
|
T

D
|
D

E
|
E

V

V

F

Y

G

G

S

S

L

I

G

-

P

D

T

S

G

G

Q

S

F

W

T

T

E

E

E

S

T

S

P

P

Y

L

D

E

P

P

R

N

S

S

P

P

Y
|
Y

S

A

A

A

S

S

K
|
K

A

A

A

G

S

S

D

D

H

L

L

V

V

A

R

R

A

A

W

Y

H

H

E

R

T

T

Y

Y

G

G

L

L

P

D

V

V

V

R

M

I

T

T

N

R

C
|
C

S
x
C

N
|
N

Y

Y

G

G

P

P

F

Y

H

Q

F

H

P

P

E

E

K
|
K

L
|
L

V

I

P

P

V
x
L

I
x
F

I

V

L

T

K

N

A

L

L

L

A

D

G

G

E

G

P

T

L

L

P
|
P

I
x
L

Y
|
Y

G

G

D

D

G

G

S

A

N

N

V

V

R
|
R

D

E

W

W

L

V

Y

H

V

T

E

D

D

D

H

H

A

C

D

R

A

G

L

I

L

A

L

L

V

V

V

L

Q

A

K

G

G

G

V

R

V

A

G

G

R

E

S

I

Y

Y

N

H

I

I

G

G

E

G

N

L

E

E

R

L

T

T

N
|
N

L

R

Q

E

L

L

V

T

Q

G

T

I

L

L

C

-

G

-

I

-

L

L

D

D

E

S

L

L

R

G

P

A

G

D

P

-

R

-

P

-

Y

-

A

W

E

S

Q

S

I

V

S

R

F

K

V

V

T

A

D

D

R
|
R

P

K

G

G

H
|
H

D

D

A

L

R

R

Y

Y

A

S

I

L

D

D

P

G

T

G

R

K

I

I

A

E

T

R

E

E

L

L

G

G

W

Y

R

R

P

P

S

Q

V

V

T

S

V

F

E

A

E

D

G

G

L

L

R

A

R

R

T

T

V

V

Q

R

W

W

Y

Y

L

R

D

E

N

N

E

R

A

G

W

W

R

E

A

P

L

L

Q

K

active site: T127 (= T130), D128 (= D131), E129 (= E132), Y151 (= Y155), K155 (= K159)
binding nicotinamide-adenine-dinucleotide: G7 (= G7), A9 (= A9), G10 (= G10), F11 (= F11), I12 (= I12), D37 (= D31), S38 (≠ A32), L39 (= L33), T40 (= T34), A42 (= A36), G43 (≠ A37), G62 (≠ V56), D63 (= D57), I64 (= I58), R65 (= R59), F83 (≠ L79), A84 (= A80), A85 (= A81), S87 (= S83), T102 (= T98), V125 (≠ I128), S126 (= S129), T127 (= T130), Y151 (= Y155), K155 (= K159), C178 (= C182), C179 (≠ S183), N180 (= N184), N181 (= N185)
binding thymidine-5'-diphosphate: H88 (= H84), V89 (= V85), E129 (= E132), N180 (= N184), K190 (= K194), L191 (= L195), L194 (≠ V198), F195 (≠ I199), P206 (= P210), L207 (≠ I211), Y208 (= Y212), R215 (= R219), N250 (= N254), R274 (= R285), H277 (= H288)

1r6dA Crystal structure of desiv double mutant (dtdp-glucose 4,6- dehydratase) from streptomyces venezuelae with NAD and dau bound (see paper)
46% identity, 96% coverage: 1:333/346 of query aligns to 1:322/322 of 1r6dA

query
sites
1r6dA

M

M

K

R

L

L

V

V

T

T

G
|
G

G

G

A
|
A

G
|
G

F
|
F

I
|
I

G

G

S

S

A

H

V

F

V

V

R

R

Q

Q

A

L

I

L

R

A

D

G

G

A

H

Y

-

P

-

D

-

V

-

P

-

A

-

D

Q

E

V

V

V

I

N

V

L

L

D
|
D

A
x
S

L
|
L

T
|
T

Y

Y

A
|
A

A
x
G

C

N

L

R

D

A

N

N

V

L

A

A

S

P

V

V

A

D

D

A

S

D

P

P

A

R

Y

L

A

R

F

F

E

V

H

H

V
x
G

D
|
D

I
|
I

R

R

D

D

R

A

A

G

A

L

L

L

D

A

R

R

V

E

F

L

A

-

T

-

H

R

A

G

P

V

D

D

A

A

V

I

M

V

H

H

L
x
F

A
|
A

E

E

S
|
S

H
|
H

V
|
V

D

D

R

R

S

S

I

I

D

A

G

G

P

A

G

S

D

V

F

F

I

T

E

E

T
|
T

N

N

I

V

T

Q

G

G

T

T

Y

Q

N

T

M

L

L

L

E

Q

A

C

A

A

R

V

S

D

H

A

W

G

V

V

G

G

Q

-

G

-

R

-

P

-

E

-

D

-

F

-

R

R

F

V

H

V

H

H

I
x
V

S
|
S

T
|
T

D
x
N

E
x
Q

V

V

F

Y

G

G

S

S

L

I

G

-

P

D

T

S

G

G

Q

S

F

W

T

T

E

E

E

S

T

S

P

P

Y

L

D

E

P

P

R

N

S

S

P

P

Y
|
Y

S

A

A

A

S

S

K
|
K

A

A

A

G

S

S

D

D

H

L

L

V

V

A

R

R

A

A

W

Y

H

H

E

R

T

T

Y

Y

G

G

L

L

P

D

V

V

V

R

M

I

T

T

N

R

C
|
C

S
x
C

N
|
N

Y

Y

G

G

P

P

F

Y

H

Q

F

H

P

P

E

E

K
|
K

L
|
L

V

I

P

P

V
x
L

I
x
F

I

V

L

T

K

N

A

L

L

L

A

D

G

G

E

G

P

T

L

L

P
|
P

I
x
L

Y
|
Y

G

G

D

D

G

G

S

A

N

N

V

V

R
|
R

D

E

W

W

L

V

Y

H

V

T

E

D

D

D

H

H

A

C

D

R

A

G

L

I

L

A

L

L

V

V

V

L

Q

A

K

G

G

G

V

R

V

A

G

G

R

E

S

I

Y

Y

N

H

I

I

G

G

E

G

N

L

E

E

R

L

T

T

N
|
N

L

R

Q

E

L

L

V

T

Q

G

T

I

L

L

C

-

G

-

I

-

L

L

D

D

E

S

L

L

R

G

P

A

G

D

P

-

R

-

P

-

Y

-

A

W

E

S

Q

S

I

V

S

R

F

K

V

V

T

A

D

D

R
|
R

P

K

G

G

H
|
H

D

D

A

L

R

R

Y
|
Y

A

S

I

L

D

D

P

G

T

G

R

K

I

I

A

E

T

R

E

E

L

L

G

G

W

Y

R

R

P

P

S

Q

V

V

T

S

V

F

E

A

E

D

G

G

L

L

R

A

R

R

T

T

V

V

Q

R

W

W

Y

Y

L

R

D

E

N

N

E

R

A

G

W

W

R

E

A

P

L

L

Q

K

active site: T127 (= T130), N128 (≠ D131), Q129 (≠ E132), Y151 (= Y155), K155 (= K159)
binding 2'deoxy-thymidine-5'-diphospho-alpha-d-glucose: S87 (= S83), H88 (= H84), V89 (= V85), T127 (= T130), N128 (≠ D131), Q129 (≠ E132), Y151 (= Y155), C179 (≠ S183), N180 (= N184), K190 (= K194), L191 (= L195), L194 (≠ V198), F195 (≠ I199), P206 (= P210), L207 (≠ I211), Y208 (= Y212), R215 (= R219), N250 (= N254), R274 (= R285), H277 (= H288), Y281 (= Y292)
binding nicotinamide-adenine-dinucleotide: G7 (= G7), A9 (= A9), G10 (= G10), F11 (= F11), I12 (= I12), D37 (= D31), S38 (≠ A32), L39 (= L33), T40 (= T34), A42 (= A36), G43 (≠ A37), G62 (≠ V56), D63 (= D57), I64 (= I58), F83 (≠ L79), A84 (= A80), A85 (= A81), S87 (= S83), T102 (= T98), V125 (≠ I128), S126 (= S129), T127 (= T130), Y151 (= Y155), K155 (= K159), C178 (= C182), C179 (≠ S183), N180 (= N184), N181 (= N185), K190 (= K194)

1kerB The crystal structure of dtdp-d-glucose 4,6-dehydratase (rmlb) from streptococcus suis with dtdp-d-glucose bound (see paper)
43% identity, 96% coverage: 3:334/346 of query aligns to 6:333/347 of 1kerB

query
sites
1kerB

L

I

V

V

T

T

G
|
G

G

G

A
|
A

G
|
G

F
|
F

I
|
I

G

G

S

S

A

N

V

F

V

V

R

-

Q

H

A

Y

I

V

R

Y

D

N

G

N

H

H

-

P

-

D

-

V

Q

H

V

V

V

T

N

V

L
|
L

D
|
D

A
x
K

L
|
L

T
|
T

Y

Y

A
|
A

A
x
G

C

N

L

K

D

A

N

N

V

L

A

E

S

A

V

I

A

L

D

G

S

D

P

R

A

V

Y

-

A

-

F

-

E

E

H

L

V

V

-

V

-
x
G

D
|
D

I
|
I

R

A

D

D

R

A

A

E

A

L

L

V

D

D

R

K

V

L

F

A

A

A

T

-

H

-

A

K

P

A

D

D

A

A

V

I

M

V

H

H

L
x
Y

A
|
A

E

E

S
|
S

H
|
H

V
x
N

D

D

R

N

S

S

I

L

D

N

G

D

P

P

G

S

D

P

F

F

I

I

E

H

T
|
T

N

N

I

F

T

I

G

G

T

T

Y

Y

N

T

M

L

L

L

E

E

A

A

R

R

S

K

H

Y

W

-

V

-

G

-

Q

-

G

-

R

-

P

-

E

-

D

D