SitesBLAST

R175 (= R183) mutation to E: Does not exhibit NADH kinase activity in addition to NAD kinase activity.; mutation to G: Exhibits NADH kinase activity in addition to NAD kinase activity. Reduces the Vmax of the NAD kinase activity.; mutation to H: Exhibits NADH kinase activity in addition to NAD kinase activity.; mutation to I: Does not exhibit NADH kinase activity in addition to NAD kinase activity.; mutation to K: Does not exhibit NADH kinase activity in addition to NAD kinase activity.; mutation to Q: Exhibits NADH kinase activity in addition to NAD kinase activity.; mutation to T: Exhibits NADH kinase activity in addition to NAD kinase activity.

7mh7A Crystal structure of NAD kinase from pseudomonas aeruginosa pao1
40% identity, 92% coverage: 14:294/305 of query aligns to 4:286/290 of 7mh7A

query
sites
7mh7A

K

R

T

N

V

I

A

G

I

I

V

I

G

G

K

R

F

L

Q

G

A

S

V

T

G

Q

I

V

A

L

Q

D

I

T

L

I

S

R

D

R

I

L

A

K

V

K

F

F

L

L

E

I

S

D

H

R

G

H

H

L

T

H

V

V

V

I

F

L

E

E

A

D

E

T

T

I

A

A

E

E

N

V

V

L

A

P

L

G

Q

H

G

G

Y

L

D

Q

S

T

L

C

T

S

T

R

E

K

Q

I

I

M

G

G

Q

E

H

I

A

C

D

D

V

L

A

V

I

V

V

V

G

G

D
|
D

G
|
G

T

S

M

M

L

L

G

G

I

A

A

A

R

R

Q

A

L

L

A

A

P

R

Y

H

N

K

V

V

P

P

L

V

I

L

G

G

I

I

N

N

Q
x
R

G

G

R

S

L

L

G

G

F
|
F

I

L

T

T

D

D

I

I

A

R

Q

P

D

D

R

E

M

L

I

E

P

A

A

K

L

V

A

G

D

E

M

V

L

L

E

D

G

G

K

Q

V

Y

E

I

A

V

E

E

S

S

R

R

S

F

L

L

E

D

A

A

R

Q

V

V

Y

R

R

R

E

G

G

I

G

D

E

S

I

M

F

G

R

Q

A

G

L

D

A

A

L

L

N
|
N

D
|
D

V

V

V

L

A

H

R

P

G

G

S

K

T

S

S

T

G

R

M

M

V

I

E

E

L

F

R

E

V

L

E

Y

V

I

D

D

G

G

R

Q

F

F

M

V

Y

C

N

S

Q

Q

R

K

S

A

D

D

G

G

L

L

I

I

V

V

A

A

T

T

P

P

T

T

G

G

S

S

T
|
T

A
|
A

Y
|
Y

A

A

L

L

S
|
S

A

A

G

G

P

P

I

I

L

M

H

H

P

P

S

K

L

L

H

D

G

A

I

I

V

V

M

I

V

V

P

P

I

M

S

Y

P

P

H

H

S

M

L

L

S

S

N

S

R

R

P

P

I

I

T

V

L

V

S

D

D

G

S

N

C

S

E

E

I

L

V

K

I

I

Q

V

V

V

V

S

S

P

G

N

R

M

E

Q

V

I

-

Y

-

P

S

Q

A

V

N

S

F

C

D
|
D

M

G

Q

Q

S

N

L

H

T

F

S

T

V

C

L

A

H

P

G

G

D

D

R

T

I

V

V

T

I

I

R

S

R

K

S

K

A

P

H

Q

K

K

I

L

T

R

F

L

L

I

H

H

P

P

Q

I

G

D

W

H

S

N

Y

Y

F

Y

D

E

T

I

L

C

R

R

E

T

K
|
K

L

L

H

G

W

W

binding nadp nicotinamide-adenine-dinucleotide phosphate: D71 (= D81), G72 (= G82), R93 (≠ Q103), F98 (= F108), N145 (= N155), D146 (= D156), T186 (= T196), A187 (= A197), Y188 (= Y198), S191 (= S201), D244 (= D252), K283 (= K291)

P9WHV7 NAD kinase; ATP-dependent NAD kinase; Poly(P)-dependent NAD kinase; PPNK; EC 2.7.1.23 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 3 papers)
33% identity, 73% coverage: 70:293/305 of query aligns to 70:298/307 of P9WHV7

query
sites
P9WHV7

Q

Q

H

H

A

A

-

A

-

D

-

G

-

C

D

E

V

L

A

V

I

L

V

V

V

L

G

G

D
|
D

G

G

T

T

M

F

L

L

G

R

I

A

A

A

R

E

Q

L

L

A

A

R

P

N

Y

A

N

S

V

I

P

P

L

V

I

L

G

G

I

V

N

N

Q

L

G

G

R

R

L

I

G

G

F

F

I

L

T

A

D

E

I

A

A

E

Q

A

D

E

R

A

M

I

I

D

P

A

A

V

L

L

A

E

D

H

M

V

L

V

E

A

G

Q

K

D

V

Y

E

R

A

V

E

E

S

D

R

R

S

L

L

T

L

L

E

D

A

V

R

-

V

V

Y

V

R

R

E

Q

G

G

E

R

I

I

F

V

-

N

R

R

A

G

L

W

A

A

L

L

N
|
N

D
x
E

V

V

V

S

V

L

A

E

R

K

G

G

S

P

T

R

S

L

G

G

M

V

V

L

E

G

L

V

R

V

V

V

E

E

V

I

D

D

G

G

R

R

F

P

M

V

Y

S

N

A

Q

F

R

G

S

C

D

D

G
|
G

L

V

I
x
L

V

V

A

S

T
|
T

P
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P

T
|
T

G
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G

S
|
S

T
|
T

A
|
A

Y
|
Y

A
|
A

L
x
F

S
|
S

A

A

G
|
G

P

P

I

V

L

L

H

W

P

P

S

D

L

L

H

E

G

A

I

I

V

L

M

V

V

V

P

P

I

N

S

N

P

A

H

H

S

A

L

L

S

F

N

G

R

R

P

P

I

M

T

V

L

T

S

S

D

P

S

E

C

A

E

T

I

I

V

A

I

I

Q

E

V

I

-

E

V

A

S

D

G

G

R

H

E

D

V

A

S

L

A

V

N

F

F

C

D

D

M

G

Q

R

S

R

L

E

T

M

S

L

V

I

L

P

H

A

G

G

D

S

R

R

I

L

V

E

I

V

R

T

R

R

S

C

A

V

H

T

K

S

I

V

T

K

F

W

L

A

H

R

P

L

Q

D

G

S

W

A

S

P

Y

F

F

T

D

D

T

R

L

L

R

V

E

R

K

K

L

F

H

R

D85 (= D81) mutation to A: Abolishes catalytic activity.
N159 (= N155) mutation to A: Abolishes catalytic activity.
NE 159:160 (≠ ND 155:156) binding
E160 (≠ D156) mutation to A: Abolishes catalytic activity.
G190 (= G186) mutation to A: Abolishes catalytic activity.
L192 (≠ I188) mutation to A: Abolishes catalytic activity.
T195 (= T191) mutation to A: It promotes stronger allosteric interactions.
P196 (= P192) mutation to A: Abolishes catalytic activity.
T197 (= T193) binding ; mutation to A: Abolishes catalytic activity.
G198 (= G194) mutation to A: Abolishes catalytic activity.
S199 (= S195) mutation to A: Lower catalytic efficiency. A perturbation of the allosteric interactions is observed when NAD is used as substrate.
T200 (= T196) mutation to A: Abolishes catalytic activity.
TAYAFS 200:205 (≠ TAYALS 196:201) binding
Y202 (= Y198) mutation to A: Abolishes catalytic activity.
G207 (= G203) mutation to A: Abolishes catalytic activity.
G208 (= G204) mutation to A: Possesses 30% of the activity compared to the wild-type enzyme. While mutant affects the catalytic efficiency, it does not alter the binding affinity for ATP and poly(P). It causes a decrease in the affinity for NAD and alters the allosteric interactions mediated by the dinucleotide, both in the presence of poly(P) and ATP.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

1y3iA Crystal structure of mycobacterium tuberculosis NAD kinase-NAD complex (see paper)
34% identity, 70% coverage: 79:293/305 of query aligns to 12:227/231 of 1y3iA

query
sites
1y3iA

G

G

D
|
D

G
|
G

T

T

M

F

L

L

G

R

I

A

A

A

R

E

Q

L

L

A

A

R

P

N

Y

A

N

S

V

I

P

P

L

V

I

L

G

G

I

V

N

N

Q

L

G

G

R
|
R

L

I

G

G

F
|
F

I
x
L

T

A

D

E

I

A

A

E

Q

A

D

E

R

A

M

I

I

D

P

A

A

V

L

L

A

E

D

H

M

V

L

V

E

A

G

Q

K

D

V

Y

E

R

A

V

E

E

S

D

R

R

S

L

L

T

L

L

E

D

A

V

R

-

V

V

Y

V

R

R

E

Q

G

G

E

R

I

I

F

V

-

N

R

R

A

G

L

W

A

A

L

L

N
|
N

D
x
E

V

V

V

S

V

L

A

E

R

K

G

G

S

P

T

R

S

L

G

G

M

V

V

L

E

G

L

V

R

V

V

V

E

E

V

I

D

D

G

G

R

R

F

P

M

V

Y

S

N

A

Q

F

R

G

S

C

D

D

G

G

L

V

I

L

V

V

A

S

T

T

P

P

T

T

G

G

S

S

T
|
T

A
|
A

Y
|
Y

A

A

L

F

S
|
S

A

A

G

G

P

P

I

V

L

L

H

W

P

P

S

D

L

L

H

E

G

A

I

I

V

L

M

V

V

V

P

P

I

N

S

N

P

A

H

H

S

A

L

L

S

F

N

G

R

R

P

P

I

M

T

V

L

T

S

S

D

P

S

E

C

A

E

T

I

I

V

A

I

I

Q

E

V

I

-

E

V

A

S

D

G

G

R

H

E

D

V

A

S

L

A

V

N

F

F

C

D

D

M

G

Q

R

S

R

L

E

T

M

S

L

V

I

L

P

H

A

G

G

D

S

R

R

I

L

V

E

I

V

R

T

R

R

S

C

A

V

H

T

K

S

I

V

T

K

F

W

L

A

H

R

P

L

Q

D

G

S

W

A

S

P

Y

F

F

T

D

D

T

R

L

L

R

V

E

R

K

K

L

F

H

R

binding nicotinamide-adenine-dinucleotide: D14 (= D81), G15 (= G82), R38 (= R105), F41 (= F108), L42 (≠ I109), N88 (= N155), E89 (≠ D156), T129 (= T196), A130 (= A197), Y131 (= Y198), S134 (= S201)

3afoA Crystal structure of yeast nadh kinase complexed with nadh
33% identity, 58% coverage: 66:241/305 of query aligns to 105:282/360 of 3afoA

query
sites
3afoA

E

Q

Q

D

I

I

G

V

Q

N

H

R

A

T

D

D

V

L

A

L

I

V

V

T

V

L

G

G

D
|
D

G
|
G

T

T

M

I

L
|
L

G

H

I

G

A

V

R

S

Q

M

L

F

A

G

P

N

Y

T

N

Q

V

V

P

P

-

P

L

V

I

L

G

A

I

F

N

A

Q

L

G

G

R

T

L

L

G

G

F
|
F

I

L

T

S

D

P

I

F

A

D

Q

F

D

K

R

E

M

H

I

K

P

K

A

V

L

F

A

Q

D

E

M

V

L

I

E

S

G

S

K

R

V

A

E

K

A

C

E

L

S

H

R

R

S

T

L

R

L

L

E

E

A

C

R

H

V

L

Y

K

R

K

-

K

E

D

G

S

G

N

E

S

I

S

F

I

R

V

A

T

L

H

A

A

L

M

N
|
N

D
|
D

V

I

V

F

V

L

A

H

R

R

G

G

S

N

T

S

S

P

G

H

M

L

V

T

E

N

L

L

R

D

V

I

E

F

V

I

D

D

G

G

R

E

F

F

M

L

Y

T

N

R

Q

T

R

T

S

A

D

D

G

G

L

V

I

A

V

L

A

A

T

T

P

P

T

T

G

G

S

S

T
|
T

A
|
A

Y
|
Y

A

S

L

L

S
|
S

A

A

G

G

P

S

I

I

L

V

H

S

P

P

S

L

L

V

H

P

G

A

I

I

V

L

M

M

V

T

P

P

I

I

S

C

P

P

H

R

S

S

L

L

S

S

N

F

R

R

P

P

I

L

T

I

L

L

S

P

D

H

S

S

C

S

E

H

I

I

V

R

I

I

Q

K

V

I

binding 1,4-dihydronicotinamide adenine dinucleotide: D120 (= D81), G121 (= G82), L124 (= L85), F148 (= F108), N196 (= N155), D197 (= D156), T237 (= T196), A238 (= A197), Y239 (= Y198), S242 (= S201)

Sites not aligning to the query:

binding 1,4-dihydronicotinamide adenine dinucleotide: 300, 301

Q9P7K3 Uncharacterized kinase C24B10.02c; EC 2.7.1.- from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
29% identity, 73% coverage: 73:295/305 of query aligns to 176:407/449 of Q9P7K3

query
sites
Q9P7K3

D

D

V

L

A

A

I

I

V

T

V

I

G

G

G

D

D

N

G

S

T

T

M

L

L

L

G

Y

I

T

A

S

R

W

Q

L

L

F

A

Q

P

K

Y

I

N

G

V

P

P

P

L

V

I

L

G

S

I

F

N

S

Q

D

G

D

R

D

L

V

-

P

G

G

F

F

I

L

T

T

D

H

I

F

A

S

Q

L

D

S

R

N

M

Y

I

Q

P

Q

A

H

L

L

A

Y

D

Q

M

V

L

L

E

T

G

Q

K

N

V

V

E

S

A

L

E

R

S

F

R

C

S

S

L

R

L

L

E

Q

A

C

R

S

V

F

-

H

-

K

Y

Y

R

D

E

E

G

K

G

T

E

K

I

Q

F

Y

R

S

-

L

-

A

-

S

-

T

A

T

L

Y

A

S

L

L

N

D

D

E

V

I

V

L

V

I

A

S

R

R

G

G

S

E

T

H

S

P

G

F

M

I

V

S

E

N

L

L

R

N

V

V

E

Y

V

N

D

N

G

S

R

E

F

L

M

M

Y

T

N

V

Q

V

R

Q

S

A

D

D

G

G

L

L

I

V

V

V

A

A

T

T

P

P

T

T

G

G

S

S

T

T

A

N

Y

I

A

S

L

A

S

N

A

A

G

G

P

S

I

L

L

V

H

H

P

P

S

A

L

L

H

N

G

A

I

I

V

L

M

V

V

T

P

P

I

V

S

C

P

P

H

H

S

T

L

L

S

S

N

F

R

R

P

P

I

I

T

I

L

L

S

P

D

D

S

Y

C

N

E

V

I

L

V

N

I

V

Q

E

V

I

V

P

S

L

G

D

R

S

E

R

V

S

S

S

A

A

N

F

F

F

D

S

M

V

Q

D

S

R

L

H

T

E

S

S

V

V

-

E

L

M

H

H

-

R

G

G

D

D

R

Y

I

L

V

S

I

I

R

V

R

T

S

S

A

H

H

Y

K

P

I

F

T

T

F

T

L

I

H

Q

P

N

Q

P

G

G

W

Y

S

Q

Y

W

F

T

D

K

T

V

L

L

R

E

E

D

K

K

L

F

H

N

W

W

N

N

Sites not aligning to the query:

420 modified: Phosphoserine

O13863 Uncharacterized kinase C1B1.02c; EC 2.7.1.- from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
29% identity, 73% coverage: 73:296/305 of query aligns to 280:513/537 of O13863

query
sites
O13863

D

D

V

C

A

V

I

I

V

T

V

V

G

G

G

D

D

D

G

S

T

A

M

A

L

L

G

R

I

A

A

S

R

W

Q

L

L

F

A

Q

P

D

Y

V

N

V

V

P

P

P

L

V

I

L

G

S

I

F

N

S

Q

T

G

A

R

K

L

A

G

G

F

F

I

L

T

S

D

I

I

L

A

P

Q

I

D

A

R

E

M

Y

I

T

P

K

A

T

L

L

A

D

D

L

M

I

L

F

E

H

G

R

K

G

V

F

E

T

A

V

E

N

S

L

R

R

S

M

L

R

L

F

E

Q

A

C

R

S

V

I

Y

M

R

R

E

Y

G

V

G

G

E

E

I

H

F

S

R

T

A

H

L

I

A

C

-

E

-

G

-

Q

-

Y

-

S

-

V

L

L

N

N

D

E

V

L

V

I

A

D

R

R

G

G

S

P

T

N

S

P

G

F

M

M

V

I

E

S

L

L

R

D

V

L

E

Y

V

V

D

E

G

N

R

E

F

Y

M

I

Y

T

N

T

Q

L

R

Q

S

S

D

D

G

G

L

V

I

C

V

V

A

S

T

T

P

P

T

T

G

G

S

S

T

T

A

A

Y

Y

A

S

L

V

S

A

A

A

G

G

P

S

I

L

L

C

H

H

P

P

S

G

L

I

H

P

G

A

I

I

V

L

M

I

V

S

P

A

I

I

S

C

P

P

H

H

S

S

L

L

S

S

N

F

R

R

P

P

I

I

T

I

L

L

S

P

D

D

S

S

-

M

-

T

C

L

E

R

I

I

V

V

I

V

Q

P

V

L

V

D

S

A

G

R

R

S

E

N

V

A

S

W

A

C

N

A

F

F

D

D

M

G

Q

H

S

H

L

R

T

I

S

E

V

L

L

G

H

L

G

G

D

D

R

Y

I

I

V

S

I

I

R

S

R

A

S

S

A

S

H

F

K

P

I

F

T

P

F

S

L

V

H

I

P

R

Q

S

G

K

W

Y

S

S

-

K

-

D

Y

W

F

F

D

D

T

I

L

L

R

R

E

Q

K

T

L

L

H

N

W

W

N

N

E

D

Sites not aligning to the query:

72 modified: Phosphoserine

1z0zA Crystal structure of a NAD kinase from archaeoglobus fulgidus in complex with NAD (see paper)
31% identity, 71% coverage: 35:252/305 of query aligns to 4:217/249 of 1z0zA

query
sites
1z0zA

A

A

V

V

F

V

L

Y

E

K

S

T

H

D

G

G

H

H

T

V

V

K

-

R

V

I

F

E

E

E

A

A

E

L

T

K

A

R

E

L

N

E

V

V

A

E

L

V

Q

E

G

L

Y

F

D

N

S

Q

L

P

T

S

T

E

E

E

Q

L

I

-

G

-

Q

E

H

N

A

F

D

D

V

F

A

I

I

V

V

S

V

V

G

G

D

D

G

G

T

T

M

I

L

L

G

R

I

I

A

L

R

Q

Q

K

L

L

A

K

P

R

Y

C

N

P

V

-

P

P

L

I

I

F

G

G

I

I

N

N

Q

T

G

G

R

R

L

V

G

G

F

L

I

L

T

T

D

H

I

A

A

S

Q

P

D

E

R

N

M

F

I

E

P

V

A

E

L

L

A

K

D

K

M

A

L

V

E

E

G

-

K

K

V

F

E
|
E

A

V

E

E

S

R

R

F

S

P

L

R

L

V

E

S

A
x
C

R

S

V

A

Y

M

R

P

E

D

G

-

E

-

I

-

F

-

R

-

A

V

L

L

A

A

L

L

N
|
N

D
x
E

V

I

V

A

V

V

A

L

R

S

G

R

S

K

T

P

S

A

G

K

M
|
M

V

I

E

D

L

V

R

A

V

L

E

R

V

V

D

D

G

G

R

V

F

E

M

V

Y

D

N

R

Q

I

R
|
R

S

C

D
|
D

G

G

L

F

I

I

V

V

A

A

T

T

P

Q

T

I

G

G

S

S

T
|
T

A

G

Y
|
Y

A

A

L

F

S
|
S

A

A

G

G

P

P

I

V

L

V

H

E

P

P

S

Y

L

L

H

E

G

C

I

F

V

I

M

L

V

I

P

P

I

I

S

A

P

P

H
x
F

S

R

L

F

S

G

N

W

R

K

P

P

-

Y

-

V

I

V

T

S

L

M

S

E

D

R

S

K

C

I

E

E

I

V

V

I

I

A

Q

E

-

K

-

A

-

I

V

V

S

A

G
x
D

R
x
G

E

Q

V

K

S

S

A

V

N

D

F

F

D

D

active site: E96 (= E130), C105 (≠ A139)
binding nicotinamide-adenine-dinucleotide: N115 (= N155), E116 (≠ D156), M127 (= M167), R143 (= R183), D145 (= D185), T156 (= T196), Y158 (= Y198), S161 (= S201), F182 (≠ H222), D209 (≠ G244), G210 (≠ R245)

1z0sA Crystal structure of an NAD kinase from archaeoglobus fulgidus in complex with atp (see paper)
31% identity, 71% coverage: 35:252/305 of query aligns to 4:217/249 of 1z0sA

query
sites
1z0sA

A

A

V

V

F

V

L

Y

E
x
K

S

T

H

D

G

G

H

H

T

V

V

K

-

R

V

I

F

E

E

E

A

A

E

L

T

K

A

R

E

L

N

E

V

V

A

E

L

V

Q

E

G

L

Y

F

D

N

S

Q

L

P

T

S

T

E

E

E

Q

L

I

-

G

-

Q

E

H

N

A

F

D

D

V

F

A

I

I

V

V

S

V

V

G

G

G
|
G

D

D

G
|
G

T
|
T

M

I

L

L

G
x
R

I

I

A

L

R

Q

Q

K

L

L

A

K

P

R

Y

C

N

P

V

-

P

P

L

I

I

F

G

G

I

I

N

N

Q

T

G

G

R
|
R

L

V

G

G

F

L

I

L

T

T

D

H

I

A

A

S

Q

P

D

E

R

N

M

F

I

E

P

V

A

E

L

L

A

K

D

K

M

A

L

V

E

E

G

-

K

K

V

F

E
|
E

A

V

E

E

S

R

R

F

S

P

L

R

L

V

E

S

A
x
C

R

S

V

A

Y

M

R

P

E

D

G

-

E

-

I

-

F

-

R

-

A

V

L

L

A

A

L

L

N
|
N

D
x
E

V

I

V

A

V

V

A

L

R

S

G

R

S

K

T

P

S
x
A

G
x
K

M
|
M

V

I

E

D

L

V

R

A

V

L

E

R

V

V

D

D

G

G

R

V

F

E

M

V

Y

D

N

R

Q

I

R

R

S

C

D
|
D

G

G

L

F

I

I

V

V

A

A

T

T

P

Q

T

I

G

G

S

S

T

T

A
x
G

Y
|
Y

A

A

L

F

S
|
S

A

A

G

G

P

P

I

V

L

V

H

E

P

P

S

Y

L

L

H

E

G

C

I

F

V

I

M

L

V

I

P

P

I

I

S
x
A

P

P

H
x
F

S

R

L

F

S

G

N

W

R

K

P

P

-

Y

-

V

I

V

T

S

L

M

S

E

D

R

S

K

C

I

E

E

I

V

V

I

I

A

Q

E

-

K

-

A

-

I

V

V

S

A

G
x
D

R

G

E

Q

V

K

S

S

A

V

N

D

F

F

D

D

active site: E96 (= E130), C105 (≠ A139)
binding adenosine-5'-triphosphate: R54 (≠ G86), N115 (= N155), E116 (≠ D156), A125 (≠ S165), K126 (≠ G166), M127 (= M167), D145 (= D185), G157 (≠ A197), Y158 (= Y198), S161 (= S201), A180 (≠ S220), F182 (≠ H222), D209 (≠ G244)
binding pyrophosphate 2-: K8 (≠ E39), G48 (= G80), G50 (= G82), T51 (= T83), R54 (≠ G86), R72 (= R105)

1suwA Crystal structure of a NAD kinase from archaeoglobus fulgidus in complex with its substrate and product: insights into the catalysis of NAD kinase (see paper)
31% identity, 71% coverage: 35:252/305 of query aligns to 4:217/249 of 1suwA

query
sites
1suwA

A

A

V

V

F

V

L

Y

E

K

S

T

H

D

G

G

H

H

T

V

V

K

-

R

V

I

F

E

E

E

A

A

E

L

T

K

A

R

E

L

N

E

V

V

A

E

L

V

Q

E

G

L

Y

F

D

N

S

Q

L

P

T

S

T

E

E

E

Q

L

I

-

G

-

Q

E

H

N

A

F

D

D

V

F

A

I

I

V

V

S

V

V

G

G

G
|
G

D
|
D

G
|
G

T

T

M

I

L

L

G

R

I

I

A

L

R

Q

Q

K

L

L

A

K

P

R

Y

C

N

P

V

-

P

P

L

I

I

F

G

G

I

I

N

N

Q

T

G

G

R

R

L

V

G

G

F

L

I

L

T

T

D

H

I

A

A

S

Q

P

D

E

R

N

M

F

I

E

P

V

A

E

L

L

A

K

D

K

M

A

L

V

E

E

G

-

K

K

V

F

E

E

A

V

E

E

S

R

R

F

S

P

L

R

L

V

E

S

A

C

R

S

V

A

Y

M

R

P

E

D

G

-

E

-

I

-

F

-

R

-

A

V

L

L

A

A

L

L

N
|
N

D
x
E

V

I

V

A

V

V

A

L

R

S

G

R

S

K

T

P

S
x
A

G

K

M
|
M

V

I

E

D

L

V

R

A

V

L

E

R

V

V

D

D

G

G

R

V

F

E

M

V

Y

D

N

R

Q

I

R
|
R

S

C

D
|
D

G

G

L

F

I

I

V

V

A

A

T

T

P

Q

T

I

G

G

S

S

T
|
T

A

G

Y
|
Y

A

A

L

F

S
|
S

A

A

G

G

P

P

I

V

L

V

H

E

P

P

S

Y

L

L

H

E

G

C

I

F

V

I

M

L

V

I

P

P

I

I

S

A

P

P

H
x
F

S

R

L

F

S

G

N

W

R

K

P

P

-

Y

-

V

I

V

T

S

L

M

S

E

D

R

S

K

C

I

E

E

I

V

V

I

I

A

Q

E

-

K

-

A

-

I

V

V

S

A

G
x
D

R
x
G

E

Q

V

K

S

S

A

V

N

D

F

F

D

D

binding nadp nicotinamide-adenine-dinucleotide phosphate: G48 (= G80), D49 (= D81), G50 (= G82), N115 (= N155), E116 (≠ D156), A125 (≠ S165), M127 (= M167), R143 (= R183), D145 (= D185), T156 (= T196), Y158 (= Y198), S161 (= S201), F182 (≠ H222), D209 (≠ G244), G210 (≠ R245)

O30297 NAD kinase; ATP-dependent NAD kinase; EC 2.7.1.23 from Archaeoglobus fulgidus (strain ATCC 49558 / DSM 4304 / JCM 9628 / NBRC 100126 / VC-16) (see paper)
31% identity, 71% coverage: 35:252/305 of query aligns to 4:217/249 of O30297

query
sites
O30297

A

A

V

V

F

V

L

Y

E

K

S

T

H

D

G

G

H

H

T

V

V

K

-

R

V

I

F

E

E

E

A

A

E

L

T

K

A

R

E

L

N

E

V

V

A

E

L

V

Q

E

G

L

Y

F

D

N

S

Q

L

P

T

S

T

E

E

E

Q

L

I

-

G

-

Q

E

H

N

A

F

D

D

V

F

A

I

I

V

V

S

V

V

G

G

D
|
D

G
|
G

T

T

M

I

L

L

G
x
R

I

I

A

L

R

Q

Q

K

L

L

A

K

P

R

Y

C

N

P

V

-

P

P

L

I

I

F

G

G

I

I

N

N

Q

T

G

G

R

R

L

V

G

G

F

L

I

L

T

T

D

H

I

A

A

S

Q

P

D

E

R

N

M

F

I

E

P

V

A

E

L

L

A

K

D

K

M

A

L

V

E

E

G

-

K

K

V

F

E

E

A

V

E

E

S

R

R

F

S

P

L

R

L

V

E

S

A

C

R

S

V

A

Y

M

R

P

E

D

G

-

E

-

I

-

F

-

R

-

A

V

L

L

A

A

L

L

N
|
N

D
x
E

V

I

V

A

V

V

A

L

R

S

G

R

S

K

T

P

S

A

G
x
K

M

M

V

I

E

D

L

V

R

A

V

L

E

R

V

V

D

D

G

G

R

V

F

E

M

V

Y

D

N

R

Q

I

R
|
R

S

C

D

D

G

G

L

F

I

I

V

V

A

A

T

T

P

Q

T
x
I

G

G

S

S

T
|
T

A
x
G

Y
|
Y

A
|
A

L
x
F

S
|
S

A

A

G

G

P

P

I

V

L

V

H

E

P

P

S

Y

L

L

H

E

G

C

I

F

V

I

M

L

V

I

P

P

I

I

S

A

P

P

H

F

S

R

L

F

S

G

N

W

R

K

P

P

-

Y

-

V

I

V

T

S

L

M

S

E

D

R

S

K

C

I

E

E

I

V

V

I

I

A

Q

E

-

K

-

A

-

I

V

V

S

A

G

D

R

G

E
x
Q

V

K

S

S

A

V

N

D

F

F

D

D

DG 49:50 (= DG 81:82) binding
R54 (≠ G86) binding
NE 115:116 (≠ ND 155:156) binding
K126 (≠ G166) binding
R143 (= R183) binding
I153 (≠ T193) binding
TGYAFS 156:161 (≠ TAYALS 196:201) binding
Q211 (≠ E246) binding

6rbzA Crystal structure of NAD kinase 1 from listeria monocytogenes in complexe with an adenine derivative (see paper)
29% identity, 72% coverage: 57:276/305 of query aligns to 21:243/262 of 6rbzA

query
sites
6rbzA

L

I

Q

A

G

G

Y

F

D

G

S

E

L

Y

T

D

T

M

E

E

Q

Y

I

D

G

D

Q

V

H

E

A

P

D

E

V

I

A

V

I

I

V

S

V

I

G

G

D
|
D

G
|
G

T

T

M

F

L

L

G

S

I

A

A

F

R

H

Q

Q

L

Y

A

E

P

E

Y

R

-

L

-

D

N

E

V

I

P

A

L

F

I

I

G

G

I

I

N

H

Q

T

G

G

R

H

L

L

G

G

F
|
F

I

Y

T

A

D

D

-

W

-

R

-

P

I

A

A

E

Q

A

D

D

R

K

M

L

I

V

P

K

A

L

L

L

A

A

D

-

M

-

L

-

E

K

G

G

K

E

V

Y

E

Q

A

K

E

V

S

S

R

Y

S

P

L

L

E

K

A

T

R

T

V

V

Y

-

R

K

E

Y

G

G

G

K

E

K

I

E

F

A

R

T

A

Y

L

L

A

A

L

L

N
|
N

D

E

V

S

V

T

V

V

A

K

R

-

G

-

S

S

T

S

S

G

G

G

M

P

V

F

E

V

L

V

R

D

V

V

E

V

V

I

D

N

G

D

R

I

F

H

M

F

Y

E

N

R

Q

F

R

R

S

G

D

D

G

G

L

L

I

C

V

M

A

S

T

T

P

P

T

S

G

G

S

T

T
|
T

A
|
A

Y

Y

A

N

L

K

S

S

A

L

G

G

P

A

I

L

L

M

H

H

P

P

S

S

L

I

H

E

G

A

I

M

V

Q

M

L

V

T

P

E

I

M

S

A

P

-

H

-

S

S

L

I

S

N

N

N

R

R

-

V

-

Y

-

R

-

T

-

I

-

G

-

S

P

P

I

L

T

V

L

F

S

P

D

K

S

H

C

H

E

V

I

V

V

S

I

L

Q

Q

V

P

V

V

S

N

G

D

R

K

E

D

V

F

S

Q

A

I

N

S

F

V

D

D

M

H

Q

-

S

-

L

-

T

L

S

S

V

I

L

L

H

H

G

R

D

D

R

V

I

Q

V

E

I

I

R

R

R

Y

-

E

-

V

S

S

A

A

H

K

K

K

I

I

T

H

F

F

binding 9-(3-azanylpropyl)-8-bromanyl-purin-6-amine: D45 (= D81), G46 (= G82), F74 (= F108), N120 (= N155), T159 (= T196), A160 (= A197)

7zzhA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a linear di-adenosine derivative (see paper)
30% identity, 72% coverage: 57:276/305 of query aligns to 21:245/264 of 7zzhA

query
sites
7zzhA

L

I

Q

A

G

G

Y

F

D

G

S

E

L

Y

T

D

T

M

E

E

Q

Y

I

D

G

D

Q

V

H

E

A

P

D

E

V

I

A

V

I

I

V

S

V

I

G

G

D
|
D

G

G

T

T

M

F

L

L

G

S

I

A

A

F

R

H

Q

Q

L

Y

A

E

P

E

Y

R

-

L

-

D

N

E

V

I

P

A

L

F

I

I

G

G

I

I

N

H

Q

T

G

G

R

H

L

L

G

G

F
|
F

I
x
Y

T

A

D

D

-

W

-

R

-

P

I

A

A

E

Q

A

D

D

R

K

M

L

I

V

P

K

A

L

L

L

A

A

D

-

M

-

L

-

E

K

G

G

K

E

V

Y

E

Q

A

K

E

V

S

S

R

Y

S

P

L

L

E

K

A

T

R

T

V

V

-

K

Y

Y

R

G

E

I

G

G

G

K

E

K

I

E

F

A

R

T

A

Y

L

L

A

A

L

L

N
|
N

D
x
E

V

S

V

T

V

V

A

K

R

-

G

-

S

S

T

S

S

G

G

G

M

P

V

F

E

V

L

V

R

D

V

V

E

V

V

I

D

N

G

D

R

I

F

H

M

F

Y

E

N

R

Q

F

R

R

S

G

D

D

G

G

L

L

I

C

V

M

A

S

T

T

P

P

T

S

G

G

S

T

T
|
T

A
|
A

Y
|
Y

A

N

L

K

S
|
S

A

L

G

G

P

A

I

L

L

M

H

H

P

P

S

S

L

I

H

E

G

A

I

M

V

Q

M

L

V

T

P

E

I

M

S

A

P

-

H

-

S

S

L

I

S

N

N

N

R

R

-

V

-

Y

-

R

-

T

-

I

-

G

-

S

P

P

I

L

T

V

L

F

S

P

D

K

S

H

C

H

E

V

I

V

V

S

I

L

Q

Q

V

P

V

V

S

N

G

D

R

K

E

D

V

F

S

Q

A

I

N

S

F

V

D

D

M

H

Q

-

S

-

L

-

T

L

S

S

V

I

L

L

H

H

G

R

D

D

R

V

I

Q

V

E

I

I

R

R

R

Y

-

E

-

V

S

S

A

A

H

K

K

K

I

I

T

H

F

F

binding (1~{R},22~{R},23~{S},24~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-23,24-bis(oxidanyl)-25-oxa-2,4,6,9,14,17,20-heptazatetracyclo[20.2.1.0^{2,10}.0^{3,8}]pentacosa-3(8),4,6,9-tetraen-11-yne-16,19-dione: D45 (= D81), F74 (= F108), Y75 (≠ I109), N122 (= N155), E123 (≠ D156), T161 (= T196), A162 (= A197), Y163 (= Y198), S166 (= S201)

7zzfA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a linear di-adenosine derivative (see paper)
30% identity, 72% coverage: 57:276/305 of query aligns to 21:245/264 of 7zzfA

query
sites
7zzfA

L

I

Q

A

G

G

Y

F

D

G

S

E

L

Y

T

D

T

M

E

E

Q

Y

I

D

G

D

Q

V

H

E

A

P

D

E

V

I

A

V

I

I

V

S

V

I

G

G

D
|
D

G

G

T

T

M

F

L

L

G

S

I

A

A

F

R

H

Q

Q

L

Y

A

E

P

E

Y

R

-

L

-

D

N

E

V

I

P

A

L

F

I

I

G

G

I

I

N

H

Q

T

G

G

R

H

L

L

G

G

F
|
F

I
x
Y

T

A

D

D

-

W

-

R

-

P

I

A

A

E

Q

A

D

D

R

K

M

L

I

V

P

K

A

L

L

L

A

A

D

-

M

-

L

-

E

K

G

G

K

E

V

Y

E

Q

A

K

E

V

S

S

R

Y

S

P

L

L

E

K

A

T

R

T

V

V

-

K

Y

Y

R

G

E

I

G

G

G

K

E

K

I

E

F

A

R

T

A

Y

L

L

A

A

L

L

N
|
N

D
x
E

V

S

V

T

V

V

A

K

R

-

G

-

S

S

T

S

S

G

G

G

M

P

V

F

E

V

L

V

R

D

V

V

E

V

V

I

D

N

G

D

R

I

F

H

M

F

Y

E

N

R

Q

F

R

R

S

G

D

D

G

G

L

L

I

C

V

M

A

S

T

T

P

P

T

S

G

G

S

T

T
|
T

A
|
A

Y
|
Y

A

N

L

K

S
|
S

A

L

G

G

P

A

I

L

L

M

H

H

P

P

S

S

L

I

H

E

G

A

I

M

V

Q

M

L

V

T

P

E

I

M

S

A

P

-

H

-

S

S

L

I

S

N

N

N

R

R

-

V

-

Y

-

R

-

T

-

I

-

G

-

S

P

P

I

L

T

V

L

F

S

P

D

K

S

H

C

H

E

V

I

V

V

S

I

L

Q

Q

V

P

V

V

S

N

G

D

R

K

E

D

V

F

S

Q

A

I

N

S

F

V

D

D

M

H

Q

-

S

-

L

-

T

L

S

S

V

I

L

L

H

H

G

R

D

D

R

V

I

Q

V

E

I

I

R

R

R

Y

-

E

-

V

S

S

A

A

H

K

K

K

I

I

T

H

F

F

binding (1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-26-oxa-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3(8),4,6,9-tetraen-11-yne-18,20-dione: D45 (= D81), F74 (= F108), Y75 (≠ I109), N122 (= N155), E123 (≠ D156), T161 (= T196), A162 (= A197), Y163 (= Y198), S166 (= S201)

7zzbA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a linear di-adenosine derivative (see paper)
30% identity, 72% coverage: 57:276/305 of query aligns to 21:245/264 of 7zzbA

query
sites
7zzbA

L

I

Q

A

G

G

Y

F

D

G

S

E

L

Y

T

D

T

M

E

E

Q

Y

I

D

G

D

Q

V

H

E

A

P

D

E

V

I

A

V

I

I

V

S

V

I

G

G

D
|
D

G
|
G

T

T

M

F

L

L

G

S

I

A

A

F

R

H

Q

Q

L

Y

A

E

P

E

Y

R

-

L

-

D

N

E

V

I

P

A

L

F

I

I

G

G

I

I

N

H

Q

T

G

G

R

H

L

L

G

G

F
|
F

I
x
Y

T

A

D

D

-

W

-

R

-

P

I

A

A

E

Q

A

D

D

R

K

M

L

I

V

P

K

A

L

L

L

A

A

D

-

M

-

L

-

E

K

G

G

K

E

V

Y

E

Q

A

K

E

V

S

S

R

Y

S

P

L

L

E

K

A

T

R

T

V

V

-

K

Y

Y

R

G

E

I

G

G

G

K

E

K

I

E

F

A

R

T

A

Y

L

L

A

A

L

L

N
|
N

D
x
E

V

S

V

T

V

V

A

K

R

-

G

-

S

S

T

S

S

G

G

G

M

P

V

F

E

V

L

V

R

D

V

V

E

V

V

I

D

N

G

D

R

I

F

H

M

F

Y

E

N

R

Q

F

R

R

S

G

D

D

G

G

L

L

I

C

V

M

A

S

T

T

P

P

T

S

G

G

S

T

T
|
T

A
|
A

Y
|
Y

A

N

L

K

S
|
S

A

L

G

G

P

A

I

L

L

M

H

H

P

P

S

S

L

I

H

E

G

A

I

M

V

Q

M

L

V

T

P

E

I

M

S

A

P

-

H

-

S

S

L

I

S

N

N

N

R

R

-

V

-

Y

-

R

-

T

-

I

-

G

-

S

P

P

I

L

T

V

L

F

S

P

D

K

S

H

C

H

E

V

I

V

V

S

I

L

Q

Q

V

P

V

V

S

N

G

D

R

K

E

D

V

F

S

Q

A

I

N

S

F

V

D

D

M
x
H

Q

-

S

-

L

-

T

L

S

S

V

I

L

L

H

H

G

R

D

D

R

V

I

Q

V

E

I

I

R

R

R

Y

-

E

-

V

S

S

A

A

H

K

K

K

I

I

T

H

F

F

binding 2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(2-azanylethylcarbamoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic acid: D45 (= D81), G46 (= G82), F74 (= F108), Y75 (≠ I109), N122 (= N155), E123 (≠ D156), T161 (= T196), A162 (= A197), Y163 (= Y198), S166 (= S201), H223 (≠ M253)

7zz7A Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a linear di-adenosine derivative (see paper)
30% identity, 72% coverage: 57:276/305 of query aligns to 21:245/264 of 7zz7A

query
sites
7zz7A

L

I

Q

A

G

G

Y

F

D

G

S

E

L

Y

T

D

T

M

E

E

Q

Y

I

D

G

D

Q

V

H

E

A

P

D

E

V

I

A

V

I

I

V

S

V

I

G

G

D
|
D

G
|
G

T

T

M

F

L

L

G

S

I

A

A

F

R

H

Q

Q

L

Y

A

E

P

E

Y

R

-

L

-

D

N

E

V

I

P

A

L

F

I

I

G

G

I

I

N

H

Q

T

G

G

R

H

L

L

G

G

F
|
F

I
x
Y

T

A

D

D

-

W

-

R

-

P

I

A

A

E

Q

A

D

D

R

K

M

L

I

V

P

K

A

L

L

L

A

A

D

-

M

-

L

-

E

K

G

G

K

E

V

Y

E

Q

A

K

E

V

S

S

R

Y

S

P

L

L

E

K

A

T

R

T

V

V

-

K

Y

Y

R

G

E

I

G

G

G

K

E

K

I

E

F

A

R

T

A

Y

L

L

A

A

L

L

N
|
N

D
x
E

V

S

V

T

V

V

A

K

R

-

G

-

S

S

T

S

S

G

G

G

M

P

V

F

E

V

L

V

R

D

V

V

E

V

V

I

D

N

G

D

R

I

F

H

M

F

Y

E

N

R

Q

F

R

R

S

G

D

D

G

G

L

L

I

C

V

M

A

S

T

T

P

P

T

S

G

G

S

T

T
|
T

A
|
A

Y
|
Y

A

N

L

K

S
|
S

A

L

G

G

P

A

I

L

L

M

H

H

P

P

S

S

L

I

H

E

G

A

I

M

V

Q

M

L

V

T

P

E

I

M

S

A

P

-

H

-

S

S

L

I

S

N

N

N

R

R

-

V

-

Y

-

R

-

T

-

I

-

G

-

S

P

P

I

L

T

V

L

F

S

P

D

K

S

H

C

H

E

V

I

V

V

S

I

L

Q

Q

V

P

V

V

S

N

G

D

R

K

E

D

V

F

S

Q

A

I

N

S

F

V

D

D

M
x
H

Q

-

S

-

L

-

T

L

S

S

V

I

L

L

H

H

G

R

D

D

R

V

I

Q

V

E

I

I

R

R

R

Y

-

E

-

V

S

S

A

A

H

K

K

K

I

I

T

H

F

F

binding 2-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-[(2-azanylethanoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic acid: D45 (= D81), G46 (= G82), F74 (= F108), Y75 (≠ I109), N122 (= N155), E123 (≠ D156), T161 (= T196), A162 (= A197), Y163 (= Y198), S166 (= S201), H223 (≠ M253)

6rbvA Crystal structure of NAD kinase 1 from listeria monocytogenes in complexe with an adenine derivative (see paper)
30% identity, 72% coverage: 57:276/305 of query aligns to 21:245/264 of 6rbvA

query
sites
6rbvA

L

I

Q

A

G

G

Y

F

D

G

S

E

L

Y

T

D

T

M

E

E

Q

Y

I

D

G

D

Q

V

H

E

A

P

D

E

V

I

A

V

I

I

V

S

V

I

G

G

D
|
D

G

G

T

T

M

F

L

L

G

S

I

A

A

F

R

H

Q

Q

L

Y

A

E

P

E

Y

R

-

L

-

D

N

E

V

I

P

A

L

F

I

I

G

G

I

I

N

H

Q

T

G

G

R

H

L

L

G

G

F
|
F

I

Y

T

A

D

D

-

W

-

R

-

P

I

A

A

E

Q

A

D

D

R

K

M

L

I

V

P

K

A

L

L

L

A

A

D

-

M

-

L

-

E

K

G

G

K

E

V

Y

E

Q

A

K

E

V

S

S

R

Y

S

P

L

L

E

K

A

T

R

T

V

V

-

K

Y

Y

R

G

E

I

G

G

G

K

E

K

I

E

F

A

R

T

A

Y

L

L

A

A

L

L

N
|
N

D

E

V

S

V

T

V

V

A

K

R

-

G

-

S

S

T

S

S

G

G

G

M

P

V

F

E

V

L

V

R

D

V

V

E

V

V

I

D

N

G

D

R

I

F

H

M

F

Y

E

N

R

Q

F

R

R

S

G

D

D

G

G

L

L

I

C

V

M

A

S

T

T

P

P

T

S

G

G

S

T

T
|
T

A
|
A

Y

Y

A

N

L

K

S

S

A

L

G

G

P

A

I

L

L

M

H

H

P

P

S

S

L

I

H

E

G

A

I

M

V

Q

M

L

V

T

P

E

I

M

S

A

P

-

H

-

S

S

L

I

S

N

N

N

R

R

-

V

-

Y

-

R

-

T

-

I

-

G

-

S

P

P

I

L

T

V

L

F

S

P

D

K

S

H

C

H

E

V

I

V

V

S

I

L

Q

Q

V

P

V

V

S

N

G

D

R

K

E

D

V

F

S

Q

A

I

N

S

F

V

D

D

M

H

Q

-

S

-

L

-

T

L

S

S

V

I

L

L

H

H

G

R

D

D

R

V

I

Q

V

E

I

I

R

R

R

Y

-

E

-

V

S

S

A

A

H

K

K

K

I

I

T

H

F

F

binding 9-(3-azidopropyl)-8-bromanyl-purin-6-amine: D45 (= D81), F74 (= F108), N122 (= N155), T161 (= T196), A162 (= A197)

2i2cA Crystal structure of lmnadk1 (see paper)
30% identity, 72% coverage: 57:276/305 of query aligns to 21:245/264 of 2i2cA

query
sites
2i2cA

L

I

Q

A

G

G

Y

F

D

G

S

E

L

Y

T

D

T

M

E

E

Q

Y

I

D

G

D

Q

V

H

E

A

P

D

E

V

I

A

V

I

I

V

S

V

I

G

G

D
|
D

G

G

T

T

M

F

L

L

G

S

I

A

A

F

R

H

Q

Q

L

Y

A

E

P

E

Y

R

-

L

-

D

N

E

V

I

P

A

L

F

I

I

G

G

I

I

N

H

Q

T

G

G

R

H

L

L

G

G

F
|
F

I
x
Y

T

A

D

D

-

W

-

R

-

P

I

A

A

E

Q

A

D

D

R

K

M

L

I

V

P

K

A

L

L

L

A

A

D

-

M

-

L

-

E

K

G

G

K

E

V

Y

E

Q

A

K

E

V

S

S

R

Y

S

P

L

L

E

K

A

T

R

T

V

V

-

K

Y

Y

R

G

E

I

G

G

G

K

E

K

I

E

F

A

R

T

A

Y

L

L

A

A

L

L

N
|
N

D
x
E

V

S

V

T

V

V

A

K

R

-

G

-

S

S

T

S

S

G

G

G

M

P

V

F

E

V

L

V

R

D

V

V

E

V

V

I

D

N

G

D

R

I

F

H

M

F

Y

E

N

R

Q

F

R

R

S

G

D

D

G

G

L

L

I

C

V

M

A

S

T

T

P

P

T

S

G

G

S

T

T
|
T

A
|
A

Y
|
Y

A

N

L

K

S
|
S

A

L

G

G

P

A

I

L

L

M

H

H

P

P

S

S

L

I

H

E

G

A

I

M

V

Q

M

L

V

T

P

E

I

M

S

A

P

-

H

-

S

S

L

I

S

N

N

N

R

R

-

V

-

Y

-

R

-

T

-

I

-

G

-

S

P

P

I

L

T

V

L

F

S

P

D

K

S

H

C

H

E

V

I

V

V

S

I

L

Q

Q

V

P

V

V

S

N

G

D

R

K

E

D

V

F

S

Q

A

I

N

S

F

V

D

D

M

H

Q

-

S

-

L

-

T

L

S

S

V

I

L

L

H

H

G

R

D

D

R

V

I

Q

V

E

I

I

R

R

R

Y

-

E

-

V

S

S

A

A

H

K

K

K

I

I

T

H

F

F

binding (2s,3s,4r,5r,2's,3's,4'r,5'r)-2,2'-[dithiobis(methylene)]bis[5-(6-amino-9h-purin-9-yl)tetrahydrofuran-3,4-diol]: D45 (= D81), F74 (= F108), Y75 (≠ I109), N122 (= N155), E123 (≠ D156), T161 (= T196), A162 (= A197), Y163 (= Y198), S166 (= S201)

2i2aA Crystal structure of lmnadk1 from listeria monocytogenes (see paper)
30% identity, 72% coverage: 57:276/305 of query aligns to 21:245/264 of 2i2aA

query
sites
2i2aA

L

I

Q

A

G

G

Y

F

D

G

S

E

L

Y

T

D

T

M

E

E

Q

Y

I

D

G

D

Q

V

H

E

A

P

D

E

V

I

A

V

I

I

V

S

V

I

G

G

G
|
G

D
|
D

G
|
G

T

T

M

F

L

L

G

S

I

A

A

F

R

H

Q

Q

L

Y

A

E

P

E

Y

R

-

L

-

D

N

E

V

I

P

A

L

F

I

I

G

G

I

I

N

H

Q

T

G

G

R

H

L

L

G

G

F
|
F

I
x
Y

T

A

D

D

-

W

-

R

-

P

I

A

A

E

Q

A

D

D

R

K

M

L

I

V

P

K

A

L

L

L

A

A

D

-

M

-

L

-

E

K

G

G

K

E

V

Y

E

Q

A

K

E

V

S

S

R

Y

S

P

L

L

E

K

A

T

R

T

V

V

-

K

Y

Y

R

G

E

I

G

G

G

K

E

K

I

E

F

A

R

T

A

Y

L

L

A

A

L

L

N
|
N

D
x
E

V

S

V

T

V

V

A

K

R

-

G

-

S

S

T

S

S

G

G

G

M

P

V

F

E

V

L

V

R

D

V

V

E

V

V

I

D

N

G

D

R

I

F

H

M

F

Y

E

N

R

Q

F

R

R

S

G

D

D

G

G

L

L

I

C

V

M

A

S

T

T

P

P

T

S

G

G

S

T

T
|
T

A
|
A

Y
|
Y

A

N

L

K

S
|
S

A

L

G

G

P

A

I

L

L

M

H
|
H

P

P

S

S

L

I

H

E

G

A

I

M

V

Q

M

L

V

T

P

E

I

M

S

A

P

-

H

-

S

S

L

I

S

N

N

N

R

R

-

V

-

Y

-

R

-

T

-

I

-

G

-

S

P

P

I

L

T

V

L

F

S

P

D

K

S

H

C

H

E

V

I

V

V

S

I

L

Q

Q

V

P

V

V

S

N

G

D

R

K

E

D

V

F

S

Q

A

I

N

S

F

V

D

D

M
x
H

Q

-

S

-

L

-

T

L

S

S

V

I

L

L

H

H

G

R

D

D

R

V

I

Q

V

E

I

I

R

R

R

Y

-

E

-

V

S

S

A

A

H

K

K

K

I

I

T

H

F

F

binding glycerol: H173 (= H208)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G44 (= G80), D45 (= D81), G46 (= G82), F74 (= F108), Y75 (≠ I109), N122 (= N155), E123 (≠ D156), T161 (= T196), A162 (= A197), Y163 (= Y198), S166 (= S201), H223 (≠ M253)

Sites not aligning to the query:

binding glycerol: 252, 253

Q8Y8D7 NAD kinase 1; ATP-dependent NAD kinase; EC 2.7.1.23 from Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e) (see 2 papers)
30% identity, 72% coverage: 57:276/305 of query aligns to 21:245/264 of Q8Y8D7

query
sites
Q8Y8D7

L

I

Q

A

G

G

Y

F

D

G

S

E

L

Y

T

D

T

M

E

E

Q

Y

I

D

G

D

Q

V

H

E

A

P

D

E

V

I

A

V

I

I

V

S

V

I

G

G

D
|
D

G
|
G

T

T

M

F

L

L

G

S

I

A

A

F

R

H

Q

Q

L

Y

A

E

P

E

Y

R

-

L

-

D

N

E

V

I

P

A

L

F

I

I

G

G

I

I

N

H

Q

T

G

G

R

H

L

L

G

G

F

F

I

Y

T

A

D

D

-

W

-

R

-

P

I

A

A

E

Q

A

D

D

R

K

M

L

I

V

P

K

A

L

L

L

A

A

D

-

M

-

L

-

E

K

G

G

K

E

V

Y

E

Q

A

K

E

V

S

S

R

Y

S

P

L

L

E

K

A

T

R

T

V

V

-

K

Y

Y

R

G

E

I

G

G

G

K

E

K

I

E

F

A

R

T

A

Y

L

L

A

A

L

L

N
|
N

D
x
E

V

S

V

T

V

V

A

K

R

-

G

-

S

S

T

S

S

G

G

G

M

P

V

F

E

V

L

V

R

D

V

V

E

V

V

I

D

N

G

D

R

I

F

H

M

F

Y

E

N

R

Q

F

R

R

S

G

D

D

G

G

L

L

I

C

V

M

A

S

T

T

P

P

T
x
S

G

G

S

T

T
|
T

A
|
A

Y
|
Y

A
x
N

L
x
K

S
|
S

A

L

G

G

P

A

I

L

L

M

H

H

P

P

S

S

L

I

H

E

G

A

I

M

V

Q

M

L

V

T

P

E

I

M

S

A

P

-

H

-

S

S

L

I

S

N

N

N

R

R

-

V

-

Y

-

R

-

T

-

I

-

G

-

S

P

P

I

L

T

V

L

F

S

P

D

K

S

H

C

H

E

V

I

V

V

S

I

L

Q

Q

V

P

V

V

S

N

G

D

R

K

E

D

V

F

S

Q

A

I

N

S

F

V

D

D

M
x
H

Q

-

S

-

L

-

T

L

S

S

V

I

L

L

H

H

G

R

D

D

R

V

I

Q

V

E

I

I

R

R

R

Y

-

E

-

V

S

S

A

A

H

K

K

K

I

I

T

H

F

F

D45 (= D81) active site, Proton acceptor; mutation to N: Only minor changes in the structure and a 10-fold decrease in the kinase activity.
DG 45:46 (= DG 81:82) binding
G46 (= G82) binding
NE 122:123 (≠ ND 155:156) binding
S158 (≠ T193) binding
TAYNKS 161:166 (≠ TAYALS 196:201) binding
H223 (≠ M253) binding ; mutation to E: Twice less active than the wild-type. Its activity toward DTA is increased 2-fold.

Query Sequence

>HSERO_RS03055 FitnessBrowser__HerbieS:HSERO_RS03055
MWPIKLPVQAAVPKTVAIVGKFQAVGIAQILSDIAVFLESHGHTVVFEAETAENVALQGY
DSLTTEQIGQHADVAIVVGGDGTMLGIARQLAPYNVPLIGINQGRLGFITDIAQDRMIPA
LADMLEGKVEAESRSLLEARVYREGGEIFRALALNDVVVARGSTSGMVELRVEVDGRFMY
NQRSDGLIVATPTGSTAYALSAGGPILHPSLHGIVMVPISPHSLSNRPITLSDSCEIVIQ
VVSGREVSANFDMQSLTSVLHGDRIVIRRSAHKITFLHPQGWSYFDTLREKLHWNEYPSI
EGRLQ

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