SitesBLAST

Q53TZ2 L-arabinose 1-dehydrogenase (NAD(P)(+)); D-galactose 1-dehydrogenase; EC 1.1.1.376; EC 1.1.1.120; EC 1.1.1.48 from Azospirillum brasilense (see paper)
30% identity, 50% coverage: 3:189/377 of query aligns to 4:182/309 of Q53TZ2

query
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Q53TZ2

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D169 (= D176) mutation to A: Loss of activity.
N173 (≠ Y180) mutation to A: Decrease by 4 orders of magnitude in catalytic efficiency.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

2glxA Crystal structure analysis of bacterial 1,5-af reductase (see paper)
25% identity, 68% coverage: 7:263/377 of query aligns to 4:249/332 of 2glxA

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active site: K93 (= K94), H179 (≠ Y180)
binding acetate ion: K93 (= K94), H121 (≠ D122), D175 (= D176), H179 (≠ Y180)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G7 (= G10), A8 (≠ C11), S9 (≠ G12), T10 (≠ N13), I11 (= I14), S32 (≠ D35), T33 (≠ I36), R37 (≠ A40), S69 (≠ L70), T70 (= T71), T71 (≠ I72), N72 (≠ P73), H75 (= H76), E92 (= E93), K93 (= K94), N119 (≠ A120), H121 (≠ D122), W161 (= W159), R162 (≠ H160), H179 (≠ Y180)

Sites not aligning to the query:

7cgqA Crystal structure of azospirillum brasilense l-arabinose 1- dehydrogenase e147a mutant (NADP and l-arabinose bound form)
30% identity, 50% coverage: 3:189/377 of query aligns to 1:179/306 of 7cgqA

query
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7cgqA

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binding alpha-L-arabinopyranose: K88 (= K94), H116 (= H129), W149 (= W159), H150 (= H160), D166 (= D176), P167 (≠ L177), N170 (≠ Y180)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G10), I9 (≠ C11), G10 (= G12), K11 (≠ N13), I12 (= I14), S34 (≠ D35), R35 (≠ I36), H36 (≠ N37), A37 (≠ P38), C64 (≠ T71), A65 (≠ I72), P66 (= P73), P67 (vs. gap), V69 (≠ A75), R70 (≠ H76), E87 (= E93), K88 (= K94), H116 (= H129), H150 (= H160), Q153 (≠ P163), W155 (≠ F165), D166 (= D176)

Sites not aligning to the query:

3q2iA Crystal structure of the wlba dehydrognase from chromobactrium violaceum in complex with nadh and udp-glcnaca at 1.50 a resolution (see paper)
26% identity, 53% coverage: 3:200/377 of query aligns to 11:212/345 of 3q2iA

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active site: K104 (= K94), H192 (≠ Y180)
binding (2S,3S,4R,5R,6R)-5-acetamido-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4-dihydroxy-oxane-2-carboxylic acid: K104 (= K94), N133 (≠ T123), W163 (vs. gap), T164 (≠ S153), R165 (= R154), P166 (≠ G155), Y169 (≠ H158), N188 (≠ D176), Q189 (≠ L177), H192 (≠ Y180)
binding 1,4-dihydronicotinamide adenine dinucleotide: V17 (≠ I9), G18 (= G10), C19 (= C11), G20 (= G12), R21 (≠ N13), I22 (= I14), D44 (= D35), I45 (= I36), T80 (= T71), T81 (≠ I72), P82 (= P73), S83 (≠ E74), L85 (≠ H76), H86 (≠ Y77), Q89 (≠ T80), E103 (= E93), K104 (= K94), P105 (= P95), Q132 (≠ D122), W175 (= W159), R176 (≠ H160), H192 (≠ Y180)

Sites not aligning to the query:

Q2I8V6 1,5-anhydro-D-fructose reductase; Anhydrofructose reductase; 1,5-anhydro-D-fructose reductase (1,5-anhydro-D-mannitol-forming); EC 1.1.1.292 from Ensifer adhaerens (Sinorhizobium morelense) (see paper)
25% identity, 68% coverage: 7:263/377 of query aligns to 5:250/333 of Q2I8V6

query
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Q2I8V6

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T

-

K

-

F

S

A

H

E

P

T

N

G

M

F

E

E

L

V

Y

H

G

G

T

T

K

E

G

G

T

S

L

L

ASTI 9:12 (≠ CGNI 11:14) binding
S10 (≠ G12) mutation to G: Almost no effect.
A13 (≠ S15) mutation to G: Can use NAD as cosubstrate as well as NADP.
S33 (≠ D35) mutation to D: No activity.
ST 33:34 (≠ DI 35:36) binding
R38 (≠ A40) binding
TTNELH 71:76 (≠ TIPEAH 71:76) binding
EK 93:94 (= EK 93:94) binding
K94 (= K94) mutation to G: Less than 1% remaining activity.
N120 (≠ A120) binding
WR 162:163 (≠ WH 159:160) binding
D176 (= D176) mutation to A: Less than 1% remaining activity.
H180 (≠ Y180) mutation to A: Less than 2% remaining activity.
G206 (≠ P204) mutation to I: No effect.

Sites not aligning to the query:

283 binding

3e18A Crystal structure of NAD-binding protein from listeria innocua
26% identity, 71% coverage: 8:276/377 of query aligns to 8:259/348 of 3e18A

query
sites
3e18A

I

I

I

V

G
|
G

C
x
Y

G
|
G

N
x
G

I
x
M

S

G

L

S

T

Y

Y

H

L

V

K

T

M

L

I

A

P

S

L

A

F

A

S

D

G

N

M

L

K

E

L

V

C

H

A

G

V

V

A
x
F

D
|
D

I
|
I

N
x
L

P

A

K

E

A
x
K

A

R

Q

E

A

A

R

-

A

A

E

Q

H

K

G

G

L

L

R

K

A

I

-

Y

E

E

T

S

V

Y

E

E

G

A

L

V

L

L

A

A

A

D

E

E

D

K

V

V

A

D

V

A

V

V

V

L

N

I

L
x
A

T
|
T

I
x
P

P
x
N

E

D

A

S

H
|
H

Y

K

P

E

L
|
L

T

A

R

I

R

S

I

A

L

L

E

E

A

A

G

G

K

K

H

H

A

V

Y

V

S

C

E
|
E

K
|
K

P
|
P

L

V

A

T

L

M

T

T

L

S

D

E

Q

D

A

L

L

L

A

A

L

I

R

M

N

D

L

V

A

A

G

K

Q

R

R

V

G

N

L

K

R

H

V

F

G

M

S

V

A
x
H

P

Q

D
x
N

T

R

F

R

L

W

G

D

G

E

S

D

H

F

Q

L

L

I

A

I

R

K

A

E

M

M

I

F

D

E

E

Q

G

K

R

T

V

I

G

G

P

E

V

M

I

F

G

-

T

-

C

-

H

H

V

L

M

E

S

S

R

R

-

V

-

H

G

G

M

A

E

N

H

G

W

I

H

P

P

G

N

D

P
x
W

D
x
R

F

H

F

L

F

K

Q

A

P

H

G

G

P

M

V

V

L

L

D

D

L

W

G

G

P

V

Y
x
H

Y

L

I

L

A

D

N

Q

L

L

I

L

Q

F

L

L

L

V

G

D

P

S

-

N

V

V

R

K

S

S

V

V

A

S

A

A

M

-

T

-

A

N

A

L

S

S

F

F

P

-

T

-

R

-

T

A

I

L

G

G

N

D

G

E

L

V

R

D

H

D

G

G

E

F

E

V

I

T

P

F

V

I

D

T

T

F

P

E

T

N

N

G

I

I

H

T

A

A

L

Q

L

I

E

E

F

V

D

G

T

T

G

T

A

N

I

F

I

I

T

K

L

L

G

-

A

-

S

-

W

-

D

-

V

-

W

-

T

-

S

-

H

-

P

P

N

R

M

W

E

Y

L

V

Y

K

G

G

T

T

K

E

G

G

T

T

L

G

Q

I

L

I

P

H

D

D

P

W

N

D

Y

L

F

S

G

G

G

E

V

I

V

V

R

K

active site: K94 (= K94), H178 (≠ Y180)
binding nicotinamide-adenine-dinucleotide: G10 (= G10), Y11 (≠ C11), G12 (= G12), G13 (≠ N13), M14 (≠ I14), F34 (≠ A34), D35 (= D35), I36 (= I36), L37 (≠ N37), K40 (≠ A40), A70 (≠ L70), T71 (= T71), P72 (≠ I72), N73 (≠ P73), H76 (= H76), L79 (= L79), E93 (= E93), K94 (= K94), P95 (= P95), H120 (≠ A120), N122 (≠ D122), W161 (≠ P163), R162 (≠ D164), H178 (≠ Y180)

6a3jC Levoglucosan dehydrogenase, complex with nadh and l-sorbose (see paper)
25% identity, 69% coverage: 4:263/377 of query aligns to 2:274/378 of 6a3jC

query
sites
6a3jC

L

L

G

N

I

V

G

G

I

L

I

I

G
|
G

C
x
G

G
|
G

N
x
F

I
x
M

-

G

-

K

-

A

-

H

S

S

L

L

T

A

Y

Y

L

A

K

A

M

M

I

-

P

P

L

M

F

F

S

F

G

W

M

P

K

A

L

P

C

A

-

L

-

P

-

V

-

R

-

K

A

V

V

I

A
|
A

D
x
E

I
x
A

N

N

P

P

K

E

A

L

A

A

Q

A

A

E

R

A

A

A

A

R

E

R

H

F

G

G

L

F

R

E

A

N

E

S

T

T

V

S

E

D

-
x
W

-

R

G

S

L

I

A

D

E

P

D

D

V

I

A

H

V

V

V

D

N

I

L
x
A

T
|
T

I
x
P

P
x
N

E

H

A
x
L

H
|
H

Y

A

P

E

L

I

T

A

R

I

R

A

I

A

L

A

E

E

A

A

G

G

K

K

H

H

A

I

Y

I

S

C

E
|
E

K
|
K

P
|
P

L

L

A

A

L

R

T

T

L

G

D

E

Q

E

A

S

L

K

A

A

L

M

R

Y

N

D

L

A

A

V

G

K

Q

D

R

K

G

N

L

I

R

V

V

H

G

M

S

V

A

A

P

F

D

N

T
x
Y

F

R

L

R

G

T

G

P

S

A

H

V

Q

A

L

L

A

A

R

K

A

K

M

Y

I

I

D

E

E

E

G

G

R

A

V

I

G

G

P

R

V

I

I

L

G

S

-

F

-

R

G

G

T

T

C
x
Y

H

-

V

-

M

-

S

-

R

-

G

-

M

L

E
x
Q

H

D

W
|
W

H

S

P

A

N

D

P

P

D

N

-

S

-

P

-

L

-

S

F
x
W

F
x
R

F

F

Q

Q

P

K

-

S

-

I

-

A

G

G

G

S

G

G

P

A

V

L

L

G

D
|
D

L
x
I

G

A

P

T

Y
x
H

Y

V

I

I

A

D

N

M

L

A

I

R

Q

Y

L

L

L

V

G

G

P

E

V

F

R

S

S

A

V

V

A

N

A

A

M

V

T

L

A

S

A

T

S

W

F

I

P

P

T

E

R

R

T

P

I

L

G

Q

N

R

G

G

L

-

R

G

H

E

G

G

E

P

E

K

I

G

P

P

V

V

D

D

T

V

P

D

T

D

N

E

I

V

H

M

A

T

L

M

L

I

E

R

F

F

D

A

T

N

G

G

A

A

I

V

I

G

T

S

L

V

G

E

A

A

S

T

W

R

D

N

V

A

W

H

-

G

T

R

S

N

S
x
N

H

Y

P

I

N

T

M

F

E

E

L

I

Y

H

G

G

T

T

K

E

G

G

T

S

L

I

binding 1,4-dihydronicotinamide adenine dinucleotide: G8 (= G10), G9 (≠ C11), G10 (= G12), F11 (≠ N13), M12 (≠ I14), A40 (= A34), E41 (≠ D35), A42 (≠ I36), W63 (vs. gap), A78 (≠ L70), T79 (= T71), P80 (≠ I72), N81 (≠ P73), L83 (≠ A75), H84 (= H76), E101 (= E93), K102 (= K94), P103 (= P95), W173 (≠ F165), R174 (≠ F166)
binding alpha-L-sorbopyranose: K102 (= K94), Y131 (≠ T123), Y159 (≠ C149), Q161 (≠ E157), W163 (= W159), R174 (≠ F166), D187 (= D176), I188 (≠ L177), H191 (≠ Y180), N261 (≠ S250)

Sites not aligning to the query:

binding alpha-L-sorbopyranose: 316, 319, 323

4koaA Crystal structure analysis of 1,5-anhydro-d-fructose reductase from sinorhizobium meliloti (see paper)
24% identity, 75% coverage: 7:287/377 of query aligns to 5:277/333 of 4koaA

query
sites
4koaA

G

G

I

L

I

I

G
|
G

C
x
A

G
x
S

N
x
T

I
|
I

S

A

L

R

T

E

Y

W

L

V

K

I

M

G

I

A

P

I

L

R

F

A

S

A

G

G

M

G

K

E

L

V

C

V

A

S

V

V

A

M

D
x
S

I
x
S

N

S

P

A

K

E

A
x
R

A

G

Q

E

A

A

R

Y

A

A

E

E

H

N

G

G

L

I

R

A

-

K

-

A

A

V

E

T

T

S

V

V

E

D

G

D

L

L

L

V

A

G

A

D

E

P

D

D

V

V

A

D

V

A

V

V

V

Y

N

I

L
x
S

T
|
T

I

T

P
x
N

E

E

A

L

H
|
H

Y

H

P

G

L

Q

T

A

R

L

R

A

I

A

L

I

E

R

A

A

G

G

K

K

H

H

A

V

Y

L

S

C

E
|
E

K
|
K

P

P

L

L

A

A

L

M

T

N

L

L

D

N

Q

D

A

G

L

C

A

E

L

M

R

V

N

L

L

K

A

A

G

C

Q

E

R

A

G

G

L

V

R

V

V

L

G

G

S

T

A

N

P

H

D

H

T

L

F

R

L

N

G

A

S

T

H

H

Q

R

L

A

A

M

R

R

A

E

M

A

I

I

D

A

E

A

G

G

R

R

V

I

G

G

-

R

P

P

V

I

I

A

G

A

G

R

T

V

C

F

H

H

V

A

M

V

S

Y

R

L

-

P

G

H

M

L

E
x
Q

H

G

W

W

H

R

P

L

N

D

P
x
K

D

P

F

-

Q

E

P

A

G

G

P

V

V

I

L

L

D

D

L

I

G

T

P

V

Y
x
H

Y

D

I

A

A

D

N

T

L

L

I

R

Q

F

L

V

L

L

G

N

-

D

P

P

V

I

R

E

S

A

V

V

A

A

A

I

M

S

T

H

A

S

A

A

S

G

F

M

P

G

T

K

R

E

T

G

I

L

G

E

N

D

G

G

L

-

R

-

H

-

G

-

E

-

I

-

P

-

V

-

D

-

T

-

P

-

T

-

N

-

I

V

H

M

A

G

L

V

L

L

E

R

F

F

D

R

T

S

G

G

A

V

I

I

I

A

T

Q

L

F

G

-

A

-

S

-

W

H

D

D

V

A

W

F

T

T

S

T

-

K

-

F

S

A

H

E

P

T

N

G

M

L

E

E

L

V

Y

H

G

G

T

T

K

A

G

G

T

S

L

L

-

I

-

G

-

R

Q

N

L

V

P

M

D

T

P

Q

N

R

Y

P

F

V

G

G

G

T

V

V

R

L

M

R

S

N

E

E

D

G

G

E

D

S

L

E

T

L

P

P

L

L

active site: K94 (= K94), H180 (≠ Y180)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G10), A9 (≠ C11), S10 (≠ G12), T11 (≠ N13), I12 (= I14), S33 (≠ D35), S34 (≠ I36), R38 (≠ A40), S70 (≠ L70), T71 (= T71), N73 (≠ P73), H76 (= H76), E93 (= E93), K94 (= K94), Q160 (≠ E157), K166 (≠ P163)

B3TMR8 dTDP-3,4-didehydro-2,6-dideoxy-alpha-D-glucose 3-reductase; 3-ketoreductase; NADPH-dependent C3-ketoreductase; EC 1.1.1.384 from Actinomadura kijaniata (see paper)
26% identity, 74% coverage: 4:281/377 of query aligns to 10:275/332 of B3TMR8

query
sites
B3TMR8

L

I

G

R

I

V

G

G

I

V

I

I

G

G

C
|
C

G
x
A

N
x
D

I
|
I

S
x
A

L

-

T

-

Y
x
W

L
x
R

K

R

M

A

I

L

P

P

L

A

F

L

S

E

G

A

M

E

K

P

L

L

C

T

A

E

V

V

A

T

D

A

I

I

-

A

N
x
S

P
x
R

K

R

A

W

A

D

Q

R

A

A

R

K

A

R

A

F

E

T

H

E

G

R

L

F

R

G

A

G

E

E

T

P

V

V

E

E

G

G

-
x
Y

-

P

-

A

L

L

A

E

A

R

E

D

D

D

V

V

A

D

V

A

V

V

V

Y

N

V

L

P

T
x
L

I

P

P

A

E

V

A

L

H
|
H

Y

A

P

E

L

W

T

I

R

D

R

R

I

A

L

L

E

R

A

A

G

G

K

K

H

H

A

V

Y

L

S

A

E

E

K
|
K

P

P

L

L

A

T

L

T

T

D

L

R

D

P

Q

Q

A

A

L

E

A

R

L

L

R

F

N

A

L

V

A

A

G

R

Q

E

R

R

G

G

L

L

R

L

V

L

G

M

S

E

A

N

P

F

D

M

T

F

F

L

L

H

G

H

G

P

S

Q

H

H

Q

R

L

Q

A

V

R

A

A

D

M

M

I

L

D

D

E

E

G

G

R

V

V

I

G

G

P

E

V

I

-

R

-

S

I

F

G

A

T

S

C

F

H

T

V

I

M

P

S

P

R

K

G

-

M

-

E

-

H

-

W

-

H

-

P

P

N

Q

P

G

D

D

F

I

F
x
R

F

Y

Q

Q

P

A

-

D

-

V

G

G

P

A

V

L

L

L

D
|
D

L

I

G

G

P

V

Y
|
Y

Y

-

I

-

A

-

N

-

L

-

I

-

Q

-

L

-

G

-

P

P

V

I

R

R

S

A

V

A

A

G

A

L

M

F

T

L

A

G

A

A

S

D

F

L

P

-

T

-

R

E

T

F

I

V

G

G

N

A

G

V

L

L

R

R

H

H

G

-

E

-

E

E

I

R

P

D

V

R

D

D

T

V

P

V

T

V

N

G

I

G

H

N

A

A

L

L

E

T

F

T

D

R

T

Q

G

G

A

-

I

-

I

V

T

T

L

A

G

Q

A

L

S

T

W

F

D

G

V

M

W

E

T

H

S

A

S

Y

H

T

P

N

N

N

M

Y

E

E

L

F

Y

R

G

G

T

S

K

T

G

G

T

R

L

L

Q

W

L

M

P

N

D

R

-

V

-

F

-

T

-

P

P

P

N

A

Y

T

F

Y

G

Q

G

P

V

V

R

H

M

I

S

E

E

R

E

Q

D

D

17:23 (vs. 11:19, 22% identical) binding
SR 42:43 (≠ NP 37:38) binding
Y63 (vs. gap) binding
L79 (≠ T71) binding
H84 (= H76) binding
K102 (= K94) active site, Proton donor; mutation K->A,M,Q: Loss of reductase activity.; mutation to E: Retains some activity, but the catalytic efficiency is strongly reduced.
R170 (≠ F166) binding
D182 (= D176) binding
Y186 (= Y180) mutation to F: Same affinity for dTDP-glucose and NADPH compared to the wild-type. Small reduction of the catalytic efficiency resulting from the conformational flexibility of the nicotinamide ring.

3rc1A Crystal structure of kijd10, a 3-ketoreductase from actinomadura kijaniata incomplex with NADP and tdp-benzene (see paper)
26% identity, 74% coverage: 4:281/377 of query aligns to 3:268/325 of 3rc1A

query
sites
3rc1A

L

I

G

R

I

V

G

G

I

V

I

I

G
|
G

C
|
C

G
x
A

N
x
D

I
|
I

S

A

L

-

T

-

Y

W

L
x
R

K
x
R

M

A

I

L

P

P

L

A

F

L

S

E

G

A

M

E

K

P

L

L

C

T

A

E

V

V

A

T

D

A

I

I

-

A

N
x
S

P
x
R

K

R

A

W

A

D

Q
x
R

A

A

R

K

A

R

A

F

E

T

H

E

G

R

L

F

R

G

A

G

E

E

T

P

V

V

E

E

G

G

-
x
Y

-

P

-

A

L

L

A

E

A

R

E

D

D

D

V

V

A

D

V

A

V

V

V

Y

N

V

L
x
P

T
x
L

I
x
P

P
x
A

E

V

A
x
L

H
|
H

Y

A

P

E

L

W

T

I

R

D

R

R

I

A

L

L

E

R

A

A

G

G

K

K

H

H

A

V

Y

L

S

A

E
|
E

K
|
K

P

P

L

L

A

T

L

T

T

D

L

R

D

P

Q

Q

A

A

L

E

A

R

L

L

R

F

N

A

L

V

A

A

G

R

Q

E

R

R

G

G

L

L

R

L

V

L

G

M

S

E

A

N

P

F

D
x
M

T

F

F

L

L

H

G

H

G

P

S

Q

H

H

Q

R

L

Q

A

V

R

A

A

D

M

M

I

L

D

D

E

E

G

G

R

V

V

I

G

G

P

E

V

I

-

R

-

S

I

F

G

A

T

S

C
x
F

H

T

V
x
I

M
x
P

S

P

R
x
K

G

-

M

-

E

-

H

-

W

-

H

-

P

P

N

Q

P

G

D

D

F
x
I

F
x
R

F

Y

Q

Q

P

A

-

D

-
x
V

G

G

P

A

V

L

L

L

D
|
D

L

I

G

G

P

V

Y
|
Y

Y

-

I

-

A

-

N

-

L

-

I

-

Q

-

L

-

G

-

P

P

V

I

R

R

S

A

V

A

A

G

A

L

M

F

T

L

A

G

A

A

S

D

F

L

P

-

T

-

R

E

T

F

I

V

G

G

N

A

G

V

L

L

R

R

H

H

G

-

E

-

E

E

I

R

P

D

V

R

D

D

T

V

P

V

T

V

N

G

I

G

H

N

A

A

L

L

E

T

F

T

D

R

T

Q

G

G

A

-

I

-

I

V

T

T

L

A

G

Q

A

L

S

T

W

F

D

G

V

M

W

E

T

H

S

A

S
x
Y

H

T

P

N

N

N

M

Y

E

E

L

F

Y

R

G

G

T

S

K

T

G

G

T

R

L

L

Q

W

L

M

P

N

D

R

-

V

-

F

-
x
T

-

P

P

P

N

A

Y

T

F

Y

G

Q

G

P

V

V

R

H

M

I

S

E

E

R

E

Q

D

D

active site: K95 (= K94), Y179 (= Y180)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G9 (= G10), C10 (= C11), A11 (≠ G12), D12 (≠ N13), I13 (= I14), S35 (≠ N37), R36 (≠ P38), R40 (≠ Q42), Y56 (vs. gap), P71 (≠ L70), L72 (≠ T71), P73 (≠ I72), A74 (≠ P73), L76 (≠ A75), H77 (= H76), E94 (= E93), K95 (= K94), M123 (≠ D122), I162 (≠ F165), R163 (≠ F166), V168 (vs. gap), D175 (= D176), Y179 (= Y180)
binding 5'-O-[(S)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]thymidine: R16 (≠ L19), R17 (≠ K20), F152 (≠ C149), I154 (≠ V151), P155 (≠ M152), K157 (≠ R154), R163 (≠ F166), Y179 (= Y180), Y233 (≠ S250), T253 (vs. gap)

Sites not aligning to the query:

binding phosphate ion: 278, 283

6jw6A The crystal structure of kand2 in complex with NAD (see paper)
26% identity, 69% coverage: 6:265/377 of query aligns to 4:251/341 of 6jw6A

query
sites
6jw6A

I

V

G

G

I

V

G
|
G

C
x
A

G
|
G

N
x
F

I
x
M

S

G

L

G

T

V

Y

H

L

A

K

E

M

V

I

V

P

A

L

A

F

H

S

P

G

G

M

A

K

R

L

L

C

E

A

A

V

V

A

H

D
|
D

I
x
L

N

D

P

P

K

A

A

A

Q

R

A

D

R

L

A

A

A

E

E

R

H

-

G

-

L

F

R

R

A

A

E

E

T

R

V

A

E

E

-

P

-

S

-

W

-

A

G

D

L

L

A

A

A

D

E

P

D

A

V

I

A

D

V

L

V

I

N

I

L
x
T

T
|
T

I
x
P

P
x
N

E

G

A
x
L

H
|
H

Y

H

P

R

L
x
Q

T

A

R

A

R

E

I

A

L

L

E

R

A

A

G

G

K

K

H

H

A

V

Y

L

S

V

E
|
E

K
|
K

P

P

L

L

A

G

L

V

T

T

L

P

D

E

Q

Q

A

V

L

A

A

E

L

L

R

V

N

E

L

L

A

A

G

G

Q

R

R

H

G

D

L

R

R

V

V

L

G

A

S

H

A

G

P

S

D
x
N

T

F

F

V

L

H

G

S

G

P

S

K

H

F

Q

V

L

R

A

A

R

R

A

Q

M

L

I

V

D

A

E

D

-

T

-

E

-

A

-

F

G

G

R

R

V

-

G

-

P

P

V

H

I

L

G

V

G

R

T

V

C

V

H

F

V

R

M

N

S

S

R

G

G

P

M

E

E

A

H

A

W
|
W

H

A

P

A

N

S

P

K

D

D

F

L

F

-

Q

-

P

A

G

G

P

A

V

L

L

L

D

D

L

L

G

G

P

C

Y
x
H

Y

A

I

V

A

E

N

L

L

C

I

R

Q

W

L

L

-

D

-

G

G

A

P

D

V

V

R

E

S

S

V

V

A

S

A

A

M

R

T

L

A

Q

A

R

S

V

F

R

P

P

T

P

R

A

T

L

I

E

G

D

N

Q

G

A

L

L

R

-

H

-

G

-

E

-

I

-

P

-

V

-

D

-

T

-

P

-

T

-

N

-

I

-

H

-

A

L

L

V

L

M

E

E

F

F

D

A

T

D

G

G

A

A

I

V

I

G

T

Q

L

C

G

D

A

V

S

S

W

W

D

V

V

T

W

Q

T

G

S

G

S

E

H

Q

P

V

N

T

M

A

E

E

L

I

Y

I

G

G

T

T

K

K

G

G

T

R

L

V

Q

E

L

V

binding nicotinamide-adenine-dinucleotide: G8 (= G10), A9 (≠ C11), G10 (= G12), F11 (≠ N13), M12 (≠ I14), D33 (= D35), L34 (≠ I36), T70 (≠ L70), T71 (= T71), P72 (≠ I72), N73 (≠ P73), L75 (≠ A75), H76 (= H76), Q79 (≠ L79), E93 (= E93), K94 (= K94), N122 (≠ D122), W161 (= W159), H179 (≠ Y180)

Sites not aligning to the query:

binding nicotinamide-adenine-dinucleotide: 290

6jw8A The crystal structure of kand2 in complex with nadh and 3"-deamino-3"- hydroxykanamycin b (see paper)
26% identity, 69% coverage: 6:265/377 of query aligns to 4:251/342 of 6jw8A

query
sites
6jw8A

I

V

G

G

I

V

G
|
G

C
x
A

G
|
G

N
x
F

I
x
M

S

G

L

G

T

V

Y

H

L

A

K

E

M

V

I

V

P

A

L

A

F

H

S

P

G

G

M

A

K

R

L

L

C

E

A

A

V

V

A
x
H

D
|
D

I
x
L

N

D

P

P

K

A

A

A

Q

R

A

D

R

L

A

A

A

E

E

R

H

-

G

-

L

F

R

R

A

A

E

E

T

R

V

A

E

E

-

P

-

S

-

W

-

A

G

D

L

L

A

A

A

D

E

P

D

A

V

I

A

D

V

L

V

I

N

I

L
x
T

T
|
T

I
x
P

P
x
N

E

G

A
x
L

H
|
H

Y

H

P

R

L
x
Q

T

A

R

A

R

E

I

A

L

L

E

R

A

A

G

G

K

K

H

H

A

V

Y

L

S

V

E
|
E

K
|
K

P

P

L

L

A

G

L

V

T

T

L

P

D

E

Q

Q

A

V

L

A

A

E

L

L

R

V

N

E

L

L

A

A

G

G

Q

R

R

H

G

D

L

R

R

V

V

L

G

A

S

H

A

G

P

S

D
x
N

T
x
F

F

V

L

H

G

S

G

P

S

K

H

F

Q

V

L

R

A

A

R

R

A

Q

M

L

I

V

D

A

E

D

-

T

-

E

-

A

-

F

G

G

R

R

V

-

G

-

P

P

V

H

I

L

G

V

G

R

T

V

C

V

H
x
F

V

R

M
x
N

S

S

R

G

G
x
P

M

E

E

A

H

A

W
|
W

H

A

P

A

N

S

P

K

D

D

F

L

F

-

Q

-

P

A

G

G

P

A

V

L

L

L

D
|
D

L
|
L

G

G

P

C

Y
x
H

Y

A

I

V

A

E

N

L

L

C

I

R

Q

W

L

L

-

D

-

G

G

A

P

D

V

V

R

E

S

S

V

V

A

S

A

A

M

R

T

L

A

Q

A

R

S

V

F

R

P

P

T

P

R

A

T

L

I

E

G

D

N

Q

G

A

L

L

R

-

H

-

G

-

E

-

I

-

P

-

V

-

D

-

T

-

P

-

T

-

N

-

I

-

H

-

A

L

L

V

L

M

E

E

F

F

D

A

T

D

G

G

A

A

I

V

I

G

T

Q

L

C

G

D

A

V

S

S

W

W

D

V

V

T

W

Q

T

G

S

G

S
x
E

H

Q

P

V

N

T

M

A

E

E

L

I

Y

I

G

G

T

T

K

K

G

G

T

R

L

V

Q

E

L

V

binding (2S,3R,4S,5S,6R)-2-[(1S,2S,3R,4S,6R)-3-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol: F11 (≠ N13), F123 (≠ T123), F152 (≠ H150), N154 (≠ M152), P157 (≠ G155), D175 (= D176), L176 (= L177), H179 (≠ Y180), E236 (≠ S250)
binding 1,4-dihydronicotinamide adenine dinucleotide: G8 (= G10), A9 (≠ C11), G10 (= G12), F11 (≠ N13), M12 (≠ I14), H32 (≠ A34), D33 (= D35), L34 (≠ I36), T70 (≠ L70), T71 (= T71), P72 (≠ I72), N73 (≠ P73), L75 (≠ A75), H76 (= H76), Q79 (≠ L79), E93 (= E93), K94 (= K94), N122 (≠ D122), W161 (= W159), H179 (≠ Y180)

Sites not aligning to the query:

6jw7A The crystal structure of kand2 in complex with nadh and 3"-deamino-3"- hydroxykanamycin a (see paper)
26% identity, 69% coverage: 6:265/377 of query aligns to 4:251/342 of 6jw7A

query
sites
6jw7A

I

V

G

G

I

V

G
|
G

C
x
A

G
|
G

N
x
F

I
x
M

S

G

L

G

T

V

Y

H

L

A

K

E

M

V

I

V

P

A

L

A

F

H

S

P

G

G

M

A

K

R

L

L

C

E

A

A

V

V

A

H

D
|
D

I
x
L

N

D

P

P

K

A

A

A

Q

R

A

D

R

L

A

A

A

E

E

R

H

-

G

-

L

F

R

R

A

A

E

E

T

R

V

A

E

E

-

P

-

S

-

W

-

A

G

D

L

L

A

A

A

D

E

P

D

A

V

I

A

D

V

L

V

I

N

I

L
x
T

T
|
T

I
x
P

P
x
N

E

G

A
x
L

H
|
H

Y

H

P

R

L
x
Q

T

A

R

A

R

E

I

A

L

L

E

R

A

A

G

G

K

K

H

H

A

V

Y

L

S

V

E
|
E

K
|
K

P

P

L

L

A

G

L

V

T

T

L

P

D

E

Q

Q

A

V

L

A

A

E

L

L

R

V

N

E

L

L

A

A

G

G

Q

R

R

H

G

D

L

R

R

V

V

L

G

A

S

H

A

G

P

S

D
x
N

T
x
F

F

V

L

H

G

S

G

P

S

K

H

F

Q

V

L

R

A

A

R

R

A

Q

M

L

I

V

D

A

E

D

-

T

-

E

-

A

-

F

G

G

R

R

V

-

G

-

P

P

V

H

I

L

G

V

G

R

T

V

C

V

H

F

V

R

M
x
N

S

S

R

G

G
x
P

M

E

E

A

H

A

W
|
W

H

A

P

A

N

S

P

K

D

D

F

L

F

-

Q

-

P

A

G

G

P

A

V

L

L

L

D
|
D

L
|
L

G

G

P

C

Y
x
H

Y

A

I

V

A

E

N

L

L

C

I

R

Q

W

L

L

-

D

-

G

G

A

P

D

V

V

R

E

S

S

V

V

A

S

A

A

M

R

T

L

A

Q

A

R

S

V

F

R

P

P

T

P

R

A

T

L

I

E

G

D

N

Q

G

A

L

L

R

-

H

-

G

-

E

-

I

-

P

-

V

-

D

-

T

-

P

-

T

-

N

-

I

-

H

-

A

L

L

V

L

M

E

E

F

F

D

A

T

D

G

G

A

A

I

V

I

G

T

Q

L

C

G

D

A

V

S

S

W

W

D

V

V

T

W

Q

T

G

S

G

S
x
E

H

Q

P

V

N

T

M

A

E

E

L

I

Y

I

G

G

T

T

K

K

G

G

T

R

L

V

Q

E

L

V

binding (2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2S,3S,4R,6S)-4,6-bis(azanyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-oxane-3,4,5-triol: F11 (≠ N13), F123 (≠ T123), N154 (≠ M152), P157 (≠ G155), D175 (= D176), L176 (= L177), H179 (≠ Y180), E236 (≠ S250)
binding 1,4-dihydronicotinamide adenine dinucleotide: G8 (= G10), A9 (≠ C11), G10 (= G12), F11 (≠ N13), M12 (≠ I14), D33 (= D35), L34 (≠ I36), T70 (≠ L70), T71 (= T71), P72 (≠ I72), N73 (≠ P73), L75 (≠ A75), H76 (= H76), Q79 (≠ L79), E93 (= E93), K94 (= K94), N122 (≠ D122), W161 (= W159), H179 (≠ Y180)

Sites not aligning to the query:

7xr9A Crystal structure of dgpa with glucose (see paper)
30% identity, 39% coverage: 34:180/377 of query aligns to 28:177/344 of 7xr9A

query
sites
7xr9A

A

A

D

D

I

L

N

N

P

E

K

I

A

V

A

A

Q

E

A

K

R

A

A

A

E

E

H

F

G

G

L

E

R

G

A

A

E

Q

T

V

V

T

-

A

-
x
D

-
x
Y

E

K

G

E

L

L

A

A

A

N

E

P

D

E

V

V

A

E

V

V

V

H

N

V

L
x
C

T
|
T

I
x
P

P
x
N

E

V

A

S

H
|
H

Y

S

P

E

L

I

T

T

R

I

R

A

I

A

L

F

E

E

A

A

G

G

K

K

H

H

A

V

Y

Y

S

C

E
|
E

K
|
K

P
|
P

L

M

A

S

L

H

T

S

L

T

D

E

Q

E

A

A

L

E

A

K

L

M

R

V

N

E

L

A

A

W

G

K

Q

K

R

S

G

G

L

K

R

Q

V

F

G

T

S

I

A

G

P

Y

D
x
Q

T

N

F

R

L

F

G

R

G

E

S

E

H

V

Q

M

L

N

A

L

R

K

A

K

M

S

I

C

D

D

E

K

G

G

R

E

V

L

G

G

P

E

V

I

I

Y

G

Y

G

G

T

K

C

A

H

H

-

A

V

V

M
x
R

S

R

R

R

G

A

M

V

E
x
P

H

T

W
|
W

H

G

P
x
V

N
x
F

P

M

D

D

F

K

F

E

F

A

Q
|
Q

P

-

G

G

P

P