SitesBLAST

R175 (= R174) 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
51% identity, 98% coverage: 5:291/292 of query aligns to 3:290/290 of 7mh7A

query
sites
7mh7A

F

F

H

R

T

N

I

I

G

G

L

I

I

I

G

G

K

R

P

L

H

G

H

S

N

T

G

Q

T

V

N

L

L

D

T

T

L

I

K

R

R

R

L

L

H

K

W

F

L

L

G

I

S

D

Q

R

G

H

Y

L

E

H

V

V

L

I

V

L

E

E

E

D

R

T

V

I

A

A

G

E

E

V

L

L

-

P

G

G

A

H

K

G

V

L

E

Q

A

T

V

C

D

S

L

R

L

K

A

I

I

M

G

G

N

E

R

I

C

C

D

D

L

L

A

V

I

V

V

V

G

G

D
|
D

G
|
G

N

S

M

M

L

L

G

G

A

A

R

R

V

A

L

L

A

A

R

R

F

H

D

K

V

V

G

P

V

V

I

L

G

G

V

I

N

N

R
|
R

G

G

N

S

L

L

G

G

F
|
F

L

L

T

T

D

D

L

I

P

R

P

P

D

D

G

E

F

L

E

E

E

A

S

K

L

V

A

G

A

E

V

V

L

L

D

D

G

G

E

Q

F

Y

I

I

T

V

E

E

H

S

R

R

F

F

L

L

E

D

A

A

E

Q

V

V

H

R

R

R

H

G

G

I

T

D

M

S

K

M

A

G

S

Q

N

G

T

D

A

A

V

L

N
|
N

E
x
D

A

V

V

V

L

L

H

H

P

P

G

G

K

K

I

S

A

T

H

R

M

M

I

I

E

E

Y

F

E

E

V

L

Y

Y

I

I

D

D

N

G

Q

Q

F

F

M

V

Y

C

S

S

Q

Q

R

K

A

A

D

D

G

G

M

L

I

I

V

V

S

A

T

T

P

P

T

T

G

G

S

S

T
|
T

A
|
A

Y
|
Y

S

A

L

L

S
|
S

A

A

G

G

A

P

I

I

L

M

T

H

P

P

N

K

L

L

Q

D

A

A

L

I

I

V

L

I

V

V

P

P

M

M

F

Y

P

P

H

H

T

M

L

L

S

S

C

S

R

R

P

P

I

I

V

V

D

D

A

G

N

N

S

S

T

E

I

L

K

K

L

I

V

V

S

S

P

P

E

N

N

M

G

Q

E

I

N

Y

L

P

E

Q

V

V

S

S

C

C

D
|
D

G

G

H

Q

V

N

T

H

L

F

A

T

V

C

L

A

P

P

G

G

D

D

E

T

I

V

F

T

I

I

R

S

Q

K

S

K

S

P

E

Q

R

K

L

L

R

R

L

L

I

I

H

H

P

P

K

I

N

D

Y

H

N

N

Y

Y

F

Y

H

E

V

I

L

C

R

R

N

T

K
|
K

L

L

G

G

W

W

G

G

S

S

K

R

L

L

binding nadp nicotinamide-adenine-dinucleotide phosphate: D71 (= D72), G72 (= G73), R93 (= R94), F98 (= F99), N145 (= N146), D146 (≠ E147), T186 (= T187), A187 (= A188), Y188 (= Y189), S191 (= S192), D244 (= D245), K283 (= K284)

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)
31% identity, 84% coverage: 47:290/292 of query aligns to 59:307/307 of P9WHV7

query
sites
P9WHV7

L

M

G

G

A

V

K

E

V

I

E

E

A

V

V

V

D

D

L

A

L

D

A

Q

-

H

I

A

G

A

N

D

R

G

C

C

D

E

L

L

A

V

I

L

V

V

V

L

G

G

D
|
D

G

G

N

T

M

F

L

L

G

R

A

A

R

E

V

L

L

A

A

R

R

N

F

A

D

S

V

I

G

P

V

V

I

L

G

G

V

V

N

N

R

L

G

G

N

R

L

I

G

G

F

F

L

L

T

A

D

E

L

A

P

E

P

A

D

E

G

A

F

I

E

D

E

A

S

V

L

L

A

E

A

H

V

V

L

V

D

A

G

Q

E

D

F

Y

I

R

T

V

E

E

H

D

R

R

F

L

L

T

L

L

E

D

A

V

E

V

V

V

H

R

R

Q

H

G

G

G

T

R

M

I

K

V

A

N

S

R

N

G

T

W

A

A

V

L

N
|
N

E
|
E

A

V

V

S

L

L

H

E

P

K

G

G

K

P

I

R

A

L

H

G

M

V

I

L

E

G

Y

V

E

V

V

V

Y

E

I

I

D

D

N

G

Q

R

F

P

M

V

Y

S

S

A

Q

F

R

G

A

C

D

D

G
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G

M

V

I
x
L

V

V

S

S

T
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T

P
|
P

T
|
T

G
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G

S
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S

T
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T

A
|
A

Y
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Y

S
x
A

L
x
F

S
|
S

A

A

G
|
G

A

P

I

V

L

L

T

W

P

P

N

D

L

L

Q

E

A

A

L

I

I

L

L

V

V

V

P

P

M

N

F

N

P

A

H

H

T

A

L

L

S

F

C

G

R

R

P

P

I

M

V

V

V

T

D

S

A

P

N

E

S

A

T

T

I

I

K

A

L

I

V

E

V

I

S

E

P

-

E

A

N

D

G

G

E

H

N

D

L

A

E

L

V

V

S

F

C

C

D

D

G

G

H

R

V

R

T

E

L

M

A

L

V

I

L

P

P

A

G

G

D

S

E

R

I

L

F

E

I

V

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T

Q

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C

S

V

E

T

R

S

L

V

R

K

L

W

I

A

H

R

P

L

K

D

N

S

Y

A

N

P

Y

F

F

T

H

D

V

R

L

L

R

V

N

R

K

K

L

F

-

R

-

L

-

P

-

V

-

T

G

G

W

W

G

R

S

G

K

K

D85 (= D72) mutation to A: Abolishes catalytic activity.
N159 (= N146) mutation to A: Abolishes catalytic activity.
NE 159:160 (= NE 146:147) binding
E160 (= E147) mutation to A: Abolishes catalytic activity.
G190 (= G177) mutation to A: Abolishes catalytic activity.
L192 (≠ I179) mutation to A: Abolishes catalytic activity.
T195 (= T182) mutation to A: It promotes stronger allosteric interactions.
P196 (= P183) mutation to A: Abolishes catalytic activity.
T197 (= T184) binding ; mutation to A: Abolishes catalytic activity.
G198 (= G185) mutation to A: Abolishes catalytic activity.
S199 (= S186) mutation to A: Lower catalytic efficiency. A perturbation of the allosteric interactions is observed when NAD is used as substrate.
T200 (= T187) mutation to A: Abolishes catalytic activity.
TAYAFS 200:205 (≠ TAYSLS 187:192) binding
Y202 (= Y189) mutation to A: Abolishes catalytic activity.
G207 (= G194) mutation to A: Abolishes catalytic activity.
G208 (= G195) 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

O13863 Uncharacterized kinase C1B1.02c; EC 2.7.1.- from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
30% identity, 79% coverage: 61:290/292 of query aligns to 277:514/537 of O13863

query
sites
O13863

N

N

R

L

C

F

D

D

L

C

A

V

I

I

V

T

V

V

G

G

G

D

D

D

G

S

N

A

M

A

L

L

G

R

A

A

A

S

R

W

V

L

L

F

A

Q

R

D

F

V

D

V

V

P

G

P

V

V

I

L

G

S

V

F

N

S

R

T

G

A

N

K

L

A

G

G

F

F

L

L

T

S

D

I

L

L

P

P

P

I

D

A

G

E

F

Y

E

T

E

K

S

T

L

L

A

D

A

L

V

I

L

F

D

H

G

R

E

G

F

F

I

T

T

V

E

N

H

L

R

R

F

M

L

R

L

F

E

Q

A

C

E

S

V

I

H

M

R

R

-

Y

-

V

-

G

-

E

H

H

G

S

T

T

-

H

-

I

M

C

K

E

A

G

S

Q

N

Y

T

S

A

V

V

L

N

N

E

E

A

L

V

L

L

I

H

D

P

R

G

G

K

P

I

N

A

P

H

F

M

M

I

I

E

S

Y

L

E

D

V

L

Y

Y

I

V

D

E

N

N

Q

E

F

Y

M

I

Y

T

S

T

Q

L

R

Q

A

S

D

D

G

G

M

V

I

C

V

V

S

S

T

T

P

P

T

T

G

G

S

S

T

T

A

A

Y

Y

S

S

L

V

S

A

A

A

G

G

A

S

I

L

L

C

T

H

P

P

N

G

L

I

Q

P

A

A

L

I

I

L

L

I

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S

P

A

M

I

F

C

P

P

H

H

T

S

L

L

S

S

C

F

R

R

P

P

I

I

V

I

V

L

D

P

A

D

N

S

S

M

T

T

I

L

K

R

L

I

V

V

S

P

P

L

E

D

N

A

G

R

E

S

N

N

L

A

E

W

V

C

S

A

C

F

D

D

G

G

H

H

V

H

T

R

L

I

A

E

V

L

L

G

P

L

G

G

D

D

E

Y

I

I

F

S

I

I

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S

Q

A

S

S

E

F

R

P

L

F

R

P

L

S

I

V

H

I

P

R

K

S

N

K

Y

Y

-

S

-

K

N

D

Y

W

F

F

H

D

V

I

L

L

R

R

N

Q

K

T

L

L

G

N

W

W

G

N

S

D

K

R

Sites not aligning to the query:

72 modified: Phosphoserine

3afoA Crystal structure of yeast nadh kinase complexed with nadh
32% identity, 69% coverage: 59:260/292 of query aligns to 107:315/360 of 3afoA

query
sites
3afoA

I

I

G

V

N

N

R

R

C

T

D

D

L

L

A

L

I

V

V

T

V

L

G

G

D
|
D

G
|
G

N

T

M

I

L
|
L

G

H

A

G

A

V

R

S

V

M

L

F

A

G

R

N

F

T

D

Q

V

V

G

P

-

P

V

V

I

L

G

A

V

F

N

A

R

L

G

G

N

T

L

L

G

G

F
|
F

L

L

T

S

D

P

L

F

P

D

P

F

D

K

G

E

F

H

E

K

S

V

L

F

A

Q

A

E

V

V

L

I

D

S

G

S

E

R

F

A

I

K

T

C

E

L

H

H

R

R

F

T

L

R

L

L

E

E

A

C

E

H

V

L

H

K

R

K

H

K

G

D

T

S

M

N

K

S

A

S

S

I

N

V

T

T

-

H

A

A

V

M

N
|
N

E
x
D

A

I

V

F

L

L

H

H

P

R

G

G

K

N

I

S

A

P

H

H

M

L

I

T

E

N

Y

L

E

D

V

I

Y

F

I

I

D

D

N

G

Q

E

F

F

M

L

Y

T

S

R

Q

T

R

T

A

A

D

D

G

G

M

V

I

A

V

L

S

A

T

T

P

P

T

T

G

G

S

S

T
|
T

A
|
A

Y
|
Y

S

S

L

L

S
|
S

A

A

G

G

A

S

I

I

L

V

T

S

P

P

N

L

L

V

Q

P

A

A

L

I

I

L

L

M

V

T

P

P

M

I

F

C

P

P

H

R

T

S

L

L

S

S

C

F

R

R

P

P

I

L

V

I

V

L

D

P

A

H

N

S

S

S

T

H

I

I

K

R

L

I

V

K

V

I

S

G

P

S

E

K

N

L

G

N

E

Q

N

K

-

P

-

V

-

N

-

S

-

V

L

V

E

K

V

L

S

S

C

V

D
|
D

G
|
G

H

I

V

P

T

Q

L

Q

A

D

V

L

L

D

P

V

G

G

D

D

E

E

I

I

F

Y

I

V

binding 1,4-dihydronicotinamide adenine dinucleotide: D120 (= D72), G121 (= G73), L124 (= L76), F148 (= F99), N196 (= N146), D197 (≠ E147), T237 (= T187), A238 (= A188), Y239 (= Y189), S242 (= S192), D300 (= D245), G301 (= G246)

1y3iA Crystal structure of mycobacterium tuberculosis NAD kinase-NAD complex (see paper)
34% identity, 65% coverage: 70:258/292 of query aligns to 12:199/231 of 1y3iA

query
sites
1y3iA

G

G

D
|
D

G
|
G

N

T

M

F

L

L

G

R

A

A

R

E

V

L

L

A

A

R

R

N

F

A

D

S

V

I

G

P

V

V

I

L

G

G

V

V

N

N

R

L

G

G

N
x
R

L

I

G

G

F
|
F

L
|
L

T

A

D

E

L

A

P

E

P

A

D

E

G

A

F

I

E

D

E

A

S

V

L

L

A

E

A

H

V

V

L

V

D

A

G

Q

E

D

F

Y

I

R

T

V

E

E

H

D

R

R

F

L

L

T

L

L

E

D

A

V

E

V

V

V

H

R

R

Q

H

G

G

G

T

R

M

I

K

V

A

N

S

R

N

G

T

W

A

A

V

L

N
|
N

E
|
E

A

V

V

S

L

L

H

E

P

K

G

G

K

P

I

R

A

L

H

G

M

V

I

L

E

G

Y

V

E

V

V

V

Y

E

I

I

D

D

N

G

Q

R

F

P

M

V

Y

S

S

A

Q

F

R

G

A

C

D

D

G

G

M

V

I

L

V

V

S

S

T

T

P

P

T

T

G

G

S

S

T
|
T

A
|
A

Y
|
Y

S

A

L

F

S
|
S

A

A

G

G

A

P

I

V

L

L

T

W

P

P

N

D

L

L

Q

E

A

A

L

I

I

L

L

V

V

V

P

P

M

N

F

N

P

A

H

H

T

A

L

L

S

F

C

G

R

R

P

P

I

M

V

V

V

T

D

S

A

P

N

E

S

A

T

T

I

I

K

A

L

I

V

E

V

I

S

E

P

-

E

A

N

D

G

G

E

H

N

D

L

A

E

L

V

V

S

F

C

C

D

D

G

G

H

R

V

R

T

E

L

M

A

L

V

I

L

P

P

A

G

G

D

S

E

R

I

L

binding nicotinamide-adenine-dinucleotide: D14 (= D72), G15 (= G73), R38 (≠ N96), F41 (= F99), L42 (= L100), N88 (= N146), E89 (= E147), T129 (= T187), A130 (= A188), Y131 (= Y189), S134 (= S192)

Q9P7K3 Uncharacterized kinase C24B10.02c; EC 2.7.1.- from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
26% identity, 77% coverage: 64:288/292 of query aligns to 176:407/449 of Q9P7K3

query
sites
Q9P7K3

D

D

L

L

A

A

I

I

V

T

V

I

G

G

G

D

D

N

G

S

N

T

M

L

L

L

G

Y

A

T

A

S

R

W

V

L

L

F

A

Q

R

K

F

I

D

G

V

P

G

P

V

V

I

L

G

S

V

F

N

S

R

D

G

D

N

D

L

V

-

P

G

G

F

F

L

L

T

T

D

H

L

F

P

S

P

L

D

S

G

N

F

Y

E

Q

S

H

L

L

A

Y

A

Q

V

V

L

L

D

T

G

Q

E

N

F

V

I

S

T

L

E

R

H

F

R

C

F

S

L

R

L

L

E

Q

A

C

E

S

V

F

H

H

R

K

H

Y

G

D

-

E

-

K

-

T

-

K

-

Q

-

Y

T

S

M

L

K

A

A

S

S

T

N

T

T

Y

A

S

V

L

N

D

E

E

A

I

V

L

L

I

H

S

P

R

G

G

K

E

I

H

A

P

H

F

M

I

I

S

E

N

Y

L

E

N

V

V

Y

Y

I

N

D

N

N

S

Q

E

F

L

M

M

Y

T

S

V

Q

V

R

Q

A

A

D

D

G

G

M

L

I

V

V

V

S

A

T

T

P

P

T

T

G

G

S

S

T

T

A

N

Y

I

S

S

L

A

S

N

A

A

G

G

A

S

I

L

L

V

T

H

P

P

N

A

L

L

Q

N

A

A

L

I

I

L

L

V

V

T

P

P

M

V

F

C

P

P

H

H

T

T

L

L

S

S

C

F

R

R

P

P

I

I

V

I

V

L

D

P

A

D

N

Y

S

N

T

V

I

L

K

N

L

V

V

E

V

I

S

P

P

L

E

D

N

S

G

R

E

S

N

S

L

A

E

F

V

F

S

S

C

V

D

D

G

R

H

H

V

E

T

S

L

V

A

E

V

M

L

H

P

R

G

G

D

D

E

Y

I

L

F

S

I

I

R

V

Q

T

S

S

S

H

E

Y

R

P

L

F

R

T

L

T

I

I

H

Q

P

N

K

P

N

G

Y

Y

N

Q

Y

W

F

T

H

K

V

V

L

L

R

E

N

D

K

K

L

F

G

N

W

W

G

N

Sites not aligning to the query:

420 modified: Phosphoserine

1z0zA Crystal structure of a NAD kinase from archaeoglobus fulgidus in complex with NAD (see paper)
31% identity, 64% coverage: 64:250/292 of query aligns to 41:222/249 of 1z0zA

query
sites
1z0zA

D

D

L

F

A

I

I

V

V

S

V

V

G

G

D

D

G

G

N

T

M

I

L

L

G

R

A

I

A

L

R

Q

V

K

L

L

A

K

R

R

F

C

D

P

V

-

G

P

V

I

I

F

G

G

V

I

N

N

R

T

G

G

N

R

L

V

G

G

F

L

L

L

T

T

D

H

L

A

P

S

P

P

D

E

G

N

F

F

E

E

E

V

S

E

L

L

A

K

V

A

L

V

D

E

G

-

E

-

F

-

I

-

T

-

E

-

H

-

R

-

F

-

L

-

E

K

A

F

E
|
E

V

V

H

E

R

R

H

F

G

P

T

R

M

V

K

S

A
x
C

S

S

N

A

T

M

-

P

-

D

-

V

-

L

A

A

V

L

N
|
N

E
|
E

A

I

V

A

L

V

H

L

P

S

G

R

K

K

I

P

A

A

H

K

M
|
M

I

I

E

D

Y

V

E

A

V

L

Y

R

I

V

D

D

N

G

Q

V

F

E

M

V

Y

D

S

R

Q

I

R
|
R

A

C

D
|
D

G

G

M

F

I

I

V

V

S

A

T

T

P

Q

T

I

G

G

S

S

T
|
T

A

G

Y
|
Y

S

A

L

F

S
|
S

A

A

G

G

A

P

I

V

L

V

T

E

P

P

N

Y

L

L

Q

E

A

C

L

F

I

I

L

L

V

I

P

P

M

I

F

A

P

P

H
x
F

T

R

L

F

S

G

C

W

R

K

P

P

I

Y

V

V

D

S

A

M

N

E

S

R

T

K

I

I

K

E

L

V

V

I

V

A

S

E

P

K

-

A

-

I

-

V

E

A

N
x
D

G
|
G

E

Q

N

K

L

-

E

S

V

V

S

D

C

F

D

D

G

G

H

E

V

I

T

T

L

I

active site: E96 (= E131), C105 (≠ A140)
binding nicotinamide-adenine-dinucleotide: N115 (= N146), E116 (= E147), M127 (= M158), R143 (= R174), D145 (= D176), T156 (= T187), Y158 (= Y189), S161 (= S192), F182 (≠ H213), D209 (≠ N236), G210 (= G237)

1z0sA Crystal structure of an NAD kinase from archaeoglobus fulgidus in complex with atp (see paper)
31% identity, 64% coverage: 64:250/292 of query aligns to 41:222/249 of 1z0sA

query
sites
1z0sA

D

D

L

F

A

I

I

V

V

S

V

V

G

G

G
|
G

D

D

G
|
G

N
x
T

M

I

L

L

G
x
R

A

I

A

L

R

Q

V

K

L

L

A

K

R

R

F

C

D

P

V

-

G

P

V

I

I

F

G

G

V

I

N

N

R

T

G

G

N
x
R

L

V

G

G

F

L

L

L

T

T

D

H

L

A

P

S

P

P

D

E

G

N

F

F

E

E

E

V

S

E

L

L

A

K

V

A

L

V

D

E

G

-

E

-

F

-

I

-

T

-

E

-

H

-

R

-

F

-

L

-

E

K

A

F

E
|
E

V

V

H

E

R

R

H

F

G

P

T

R

M

V

K

S

A
x
C

S

S

N

A

T

M

-

P

-

D

-

V

-

L

A

A

V

L

N
|
N

E
|
E

A

I

V

A

L

V

H

L

P

S

G

R

K

K

I

P

A
|
A

H
x
K

M
|
M

I

I

E

D

Y

V

E

A

V

L

Y

R

I

V

D

D

N

G

Q

V

F

E

M

V

Y

D

S

R

Q

I

R

R

A

C

D
|
D

G

G

M

F

I

I

V

V

S

A

T

T

P

Q

T

I

G

G

S

S

T

T

A
x
G

Y
|
Y

S

A

L

F

S
|
S

A

A

G

G

A

P

I

V

L

V

T

E

P

P

N

Y

L

L

Q

E

A

C

L

F

I

I

L

L

V

I

P

P

M

I

F
x
A

P

P

H
x
F

T

R

L

F

S

G

C

W

R

K

P

P

I

Y

V

V

D

S

A

M

N

E

S

R

T

K

I

I

K

E

L

V

V

I

V

A

S

E

P

K

-

A

-

I

-

V

E

A

N
x
D

G

G

E

Q

N

K

L

-

E

S

V

V

S

D

C

F

D

D

G

G

H

E

V

I

T

T

L

I

active site: E96 (= E131), C105 (≠ A140)
binding adenosine-5'-triphosphate: R54 (≠ G77), N115 (= N146), E116 (= E147), A125 (= A156), K126 (≠ H157), M127 (= M158), D145 (= D176), G157 (≠ A188), Y158 (= Y189), S161 (= S192), A180 (≠ F211), F182 (≠ H213), D209 (≠ N236)
binding pyrophosphate 2-: G48 (= G71), G50 (= G73), T51 (≠ N74), R54 (≠ G77), R72 (≠ N96)

Sites not aligning to the query:

binding pyrophosphate 2-: 8

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, 64% coverage: 64:250/292 of query aligns to 41:222/249 of 1suwA

query
sites
1suwA

D

D

L

F

A

I

I

V

V

S

V

V

G

G

G
|
G

D
|
D

G
|
G

N

T

M

I

L

L

G

R

A

I

A

L

R

Q

V

K

L

L

A

K

R

R

F

C

D

P

V

-

G

P

V

I

I

F

G

G

V

I

N

N

R

T

G

G

N

R

L

V

G

G

F

L

L

L

T

T

D

H

L

A

P

S

P

P

D

E

G

N

F

F

E

E

E

V

S

E

L

L

A

K

V

A

L

V

D

E

G

-

E

-

F

-

I

-

T

-

E

-

H

-

R

-

F

-

L

-

E

K

A

F

E

E

V

V

H

E

R

R

H

F

G

P

T

R

M

V

K

S

A

C

S

S

N

A

T

M

-

P

-

D

-

V

-

L

A

A

V

L

N
|
N

E
|
E

A

I

V

A

L

V

H

L

P

S

G

R

K

K

I

P

A
|
A

H

K

M
|
M

I

I

E

D

Y

V

E

A

V

L

Y

R

I

V

D

D

N

G

Q

V

F

E

M

V

Y

D

S

R

Q

I

R
|
R

A

C

D
|
D

G

G

M

F

I

I

V

V

S

A

T

T

P

Q

T

I

G

G

S

S

T
|
T

A

G

Y
|
Y

S

A

L

F

S
|
S

A

A

G

G

A

P

I

V

L

V

T

E

P

P

N

Y

L

L

Q

E

A

C

L

F

I

I

L

L

V

I

P

P

M

I

F

A

P

P

H
x
F

T

R

L

F

S

G

C

W

R

K

P

P

I

Y

V

V

D

S

A

M

N

E

S

R

T

K

I

I

K

E

L

V

V

I

V

A

S

E

P

K

-

A

-

I

-

V

E

A

N
x
D

G
|
G

E

Q

N

K

L

-

E

S

V

V

S

D

C

F

D

D

G

G

H

E

V

I

T

T

L

I

binding nadp nicotinamide-adenine-dinucleotide phosphate: G48 (= G71), D49 (= D72), G50 (= G73), N115 (= N146), E116 (= E147), A125 (= A156), M127 (= M158), R143 (= R174), D145 (= D176), T156 (= T187), Y158 (= Y189), S161 (= S192), F182 (≠ H213), D209 (≠ N236), G210 (= G237)

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, 64% coverage: 64:250/292 of query aligns to 41:222/249 of O30297

query
sites
O30297

D

D

L

F

A

I

I

V

V

S

V

V

G

G

D
|
D

G
|
G

N

T

M

I

L

L

G
x
R

A

I

A

L

R

Q

V

K

L

L

A

K

R

R

F

C

D

P

V

-

G

P

V

I

I

F

G

G

V

I

N

N

R

T

G

G

N

R

L

V

G

G

F

L

L

L

T

T

D

H

L

A

P

S

P

P

D

E

G

N

F

F

E

E

E

V

S

E

L

L

A

K

V

A

L

V

D

E

G

-

E

-

F

-

I

-

T

-

E

-

H

-

R

-

F

-

L

-

E

K

A

F

E

E

V

V

H

E

R

R

H

F

G

P

T

R

M

V

K

S

A

C

S

S

N

A

T

M

-

P

-

D

-

V

-

L

A

A

V

L

N
|
N

E
|
E

A

I

V

A

L

V

H

L

P

S

G

R

K

K

I

P

A

A

H
x
K

M

M

I

I

E

D

Y

V

E

A

V

L

Y

R

I

V

D

D

N

G

Q

V

F

E

M

V

Y

D

S

R

Q

I

R
|
R

A

C

D

D

G

G

M

F

I

I

V

V

S

A

T

T

P

Q

T
x
I

G

G

S

S

T
|
T

A
x
G

Y
|
Y

S
x
A

L
x
F

S
|
S

A

A

G

G

A

P

I

V

L

V

T

E

P

P

N

Y

L

L

Q

E

A

C

L

F

I

I

L

L

V

I

P

P

M

I

F

A

P

P

H

F

T

R

L

F

S

G

C

W

R

K

P

P

I

Y

V

V

D

S

A

M

N

E

S

R

T

K

I

I

K

E

L

V

V

I

V

A

S

E

P

K

-

A

-

I

-

V

E

A

N

D

G

G

E
x
Q

N

K

L

-

E

S

V

V

S

D

C

F

D

D

G

G

H

E

V

I

T

T

L

I

DG 49:50 (= DG 72:73) binding
R54 (≠ G77) binding
NE 115:116 (= NE 146:147) binding
K126 (≠ H157) binding
R143 (= R174) binding
I153 (≠ T184) binding
TGYAFS 156:161 (≠ TAYSLS 187:192) binding
Q211 (≠ E238) binding

6rbzA Crystal structure of NAD kinase 1 from listeria monocytogenes in complexe with an adenine derivative (see paper)
26% identity, 74% coverage: 64:278/292 of query aligns to 37:252/262 of 6rbzA

query
sites
6rbzA

D

E

L

I

A

V

I

I

V

S

V

I

G

G

D
|
D

G
|
G

N

T

M

F

L

L

G

S

A

A

A

F

-

H

R

Q

V

Y

L

E

A

E

R

R

F

L

D

D

-

E

V

I

G

A

V

F

I

I

G

G

V

I

N

H

R

T

G

G

N

H

L

L

G

G

F
|
F

L

Y

T

A

D

D

L

W

P

R

P

P

D

A

G

E

F

A

E

D

E

K

S

L

L

V

A

K

A

L

V

L

L

A

D

K

G

G

E

E

F

Y

I

Q

T

K

E

V

H

S

R

Y

F

P

L

L

E

K

A

T

E

T

V

V

H

-

R

K

H

Y

G

G

T

K

M

K

K

E

A

A

S

T

N

Y

T

L

A

A

V

L

N
|
N

E

E

A

S

V

T

L

V

H

K

P

S

G

S

K

G

I

G

A

P

H

F

M

V

I

V

E

D

Y

-

E

-

V

V

Y

V

I

I

D

N

N

D

Q

I

F

H

M

F

Y

E

S

R

Q

F

R

R

A

G

D

D

G

G

M

L

I

C

V

M

S

S

T

T

P

P

T

S

G

G

S

T

T
|
T

A
|
A

Y

Y

S

N

L

K

S

S

A

L

G

G

A

A

I

L

L

M

T

H

P

P

N

S

L

I

Q

E

A

A

L

M

I

Q

L

L

V

T

P

E

M

M

F

A

P

S

-

I

-

N

-

R

-

V

H

Y

T

R

L

T

S

I

C

G

R

S

P

P

I

L

V

V

V

F

D

P

A

K

N

H

S

H

T

V

I

V

K

S

L

L

V

-

S

Q

P

P

E

V

N

N

G

D

E

K

N

D

L

F

E

Q

V

I

S

S

C

V

D

D

G

-

H

H

V

L

T

S

L

I

A

L

V

H

L

R

P

D

G

V

D

Q

E

E

I

I

F

R

I

Y

R

E

Q

V

S

S

S

A

E

K

R

K

L

I

R

H

L

F

I

A

H

R

P

F

K

R

N

S

Y

F

N

P

Y

F

F

W

binding 9-(3-azanylpropyl)-8-bromanyl-purin-6-amine: D45 (= D72), G46 (= G73), F74 (= F99), N120 (= N146), T159 (= T187), A160 (= A188)

7zzdA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a linear di-adenosine derivative (see paper)
26% identity, 74% coverage: 64:278/292 of query aligns to 37:252/262 of 7zzdA

query
sites
7zzdA

D

E

L

I

A

V

I

I

V

S

V

I

G

G

D
|
D

G
|
G

N

T

M

F

L

L

G

S

A

A

A

F

-

H

R

Q

V

Y

L

E

A

E

R

R

F

L

D

D

-

E

V

I

G

A

V

F

I

I

G

G

V

I

N

H

R

T

G

G

N

H

L

L

G

G

F
|
F

L
x
Y

T

A

D

D

L

W

P

R

P

P

D

A

G

E

F

A

E

D

E

K

S

L

L

V

A

K

A

L

V

L

L

A

D

K

G

G

E

E

F

Y

I

Q

T

K

E

V

H

S

R

Y

F

P

L

L

E

K

A

T

E

T

V

V

H

-

R

K

H

Y

G

G

T

I

M

K

K

E

A

A

S

T

N

Y

T

L

A

A

V

L

N
|
N

E
|
E

A

S

V

T

L

V

H

K

P

S

G

S

K

G

I

G

A

P

H

F

M

V

I

V

E

D

Y

-

E

-

V

V

Y

V

I

I

D

N

N

D

Q

I

F

H

M

F

Y

E

S

R

Q

F

R

R

A

G

D

D

G

G

M

L

I

C

V

M

S

S

T

T

P

P

T

S

G

G

S

T

T
|
T

A
|
A

Y
|
Y

S

N

L

K

S
|
S

A

L

G

G

A

A

I

L

L

M

T

H

P

P

N

S

L

I

Q

E

A

A

L

M

I

Q

L

L

V

T

P

E

M

M

F

A

P

S

-

I

-

N

-

R

-

V

H

Y

T

R

L

T

S

I

C

G

R

S

P

P

I

L

V

V

V

F

D

P

A

K

N

H

S

H

T

V

I

V

K

S

L

L

V

-

S

Q

P

P

E

V

N

N

G

D

E

K

N

D

L

F

E

Q

V

I

S

S

C

V

D

D

G

-

H
|
H

V

L

T

S

L

I

A

L

V

H

L

R

P

D

G

V

D

Q

E

E

I

I

F

R

I

Y

R

E

Q

V

S

S

S

A

E

K

R

K

L

I

R

H

L

F

I

A

H

R

P

F

K

R

N

S

Y

F

N

P

Y

F

F

W

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-[(3-azanylpropanoylamino)methyl]-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl]amino]ethanoic acid: D45 (= D72), G46 (= G73), F74 (= F99), Y75 (≠ L100), N120 (= N146), E121 (= E147), T159 (= T187), A160 (= A188), Y161 (= Y189), S164 (= S192), H221 (= H247)

7zz9A Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a linear di-adenosine derivative (see paper)
26% identity, 74% coverage: 64:278/292 of query aligns to 37:252/262 of 7zz9A

query
sites
7zz9A

D

E

L

I

A

V

I

I

V

S

V

I

G

G

D
|
D

G
|
G

N

T

M

F

L
|
L

G

S

A

A

A

F

-

H

R

Q

V

Y

L

E

A

E

R

R

F

L

D

D

-

E

V

I

G

A

V

F

I

I

G

G

V

I

N

H

R

T

G

G

N

H

L

L

G

G

F
|
F

L
x
Y

T

A

D

D

L

W

P

R

P

P

D

A

G

E

F

A

E

D

E

K

S

L

L

V

A

K

A

L

V

L

L

A

D

K

G

G

E

E

F

Y

I

Q

T

K

E

V

H

S

R

Y

F

P

L

L

E

K

A

T

E

T

V

V

H

-

R

K

H

Y

G

G

T

I

M

K

K

E

A

A

S

T

N

Y

T

L

A

A

V

L

N
|
N

E
|
E

A

S

V

T

L

V

H

K

P

S

G

S

K

G

I

G

A

P

H

F

M

V

I

V

E

D

Y

-

E

-

V

V

Y

V

I

I

D

N

N

D

Q

I

F

H

M

F

Y

E

S

R

Q

F

R

R

A

G

D

D

G

G

M

L

I

C

V

M

S

S

T

T

P

P

T

S

G

G

S

T

T
|
T

A
|
A

Y
|
Y

S

N

L

K

S
|
S

A

L

G

G

A

A

I

L

L

M

T

H

P

P

N

S

L

I

Q

E

A

A

L

M

I

Q

L

L

V

T

P

E

M

M

F

A

P

S

-

I

-

N

-

R

-

V

H

Y

T

R

L

T

S

I

C

G

R

S

P

P

I

L

V

V

V

F

D

P

A

K

N

H

S

H

T

V

I

V

K

S

L

L

V

-

S

Q

P

P

E

V

N

N

G

D

E

K

N

D

L

F

E

Q

V

I

S

S

C

V

D

D

G

-

H

H

V

L

T

S

L

I

A

L

V

H

L

R

P

D

G

V

D

Q

E

E

I

I

F

R

I

Y

R

E

Q

V

S

S

S

A

E

K

R

K

L

I

R

H

L

F

I

A

H

R

P

F

K

R

N

S

Y

F

N

P

Y

F

F

W

binding 3-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-(2-azanylethyl)amino]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylamino]-3-oxidanylidene-propanoic acid: D45 (= D72), G46 (= G73), L49 (= L76), F74 (= F99), Y75 (≠ L100), N120 (= N146), E121 (= E147), T159 (= T187), A160 (= A188), Y161 (= Y189), S164 (= S192)

6z64A Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a di-adenosine derivative (see paper)
26% identity, 74% coverage: 64:278/292 of query aligns to 37:252/262 of 6z64A

query
sites
6z64A

D

E

L

I

A

V

I

I

V

S

V

I

G

G

D
|
D

G

G

N

T

M

F

L
|
L

G

S

A

A

A

F

-

H

R

Q

V

Y

L

E

A

E

R

R

F

L

D

D

-

E

V

I

G

A

V

F

I

I

G

G

V

I

N

H

R

T

G

G

N

H

L

L

G

G

F
|
F

L
x
Y

T

A

D

D

L

W

P

R

P

P

D

A

G

E

F

A

E

D

E

K

S

L

L

V

A

K

A

L

V

L

L

A

D

K

G

G

E

E

F

Y

I

Q

T

K

E

V

H

S

R

Y

F

P

L

L

E

K

A

T

E

T

V

V

H

-

R

K

H

Y

G

G

T

I

M

K

K

E

A

A

S

T

N

Y

T

L

A

A

V

L

N
|
N

E
|
E

A

S

V

T

L

V

H

K

P

S

G

S

K

G

I

G

A

P

H

F

M

V

I

V

E

D

Y

-

E

-

V

V

Y

V

I

I

D

N

N

D

Q

I

F

H

M

F

Y

E

S

R

Q

F

R

R

A

G

D

D

G

G

M

L

I

C

V

M

S

S

T

T

P

P

T

S

G

G

S

T

T
|
T

A
|
A

Y
|
Y

S

N

L

K

S
|
S

A

L

G

G

A

A

I

L

L

M

T

H

P

P

N

S

L

I

Q

E

A

A

L

M

I

Q

L

L

V

T

P

E

M

M

F

A

P

S

-

I

-

N

-

R

-

V

H

Y

T

R

L

T

S

I

C

G

R

S

P

P

I

L

V

V

V

F

D

P

A

K

N

H

S

H

T

V

I

V

K

S

L

L

V

-

S

Q

P

P

E

V

N

N

G

D

E

K

N

D

L

F

E

Q

V

I

S

S

C

V

D

D

G

-

H

H

V

L

T

S

L

I

A

L

V

H

L

R

P

D

G

V

D

Q

E

E

I

I

F

R

I

Y

R

E

Q

V

S

S

S

A

E

K

R

K

L

I

R

H

L

F

I

A

H

R

P

F

K

R

N

S

Y

F

N

P

Y

F

F

W

binding (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-(3-azanylpropyl)amino]methyl]oxolane-3,4-diol: D45 (= D72), L49 (= L76), F74 (= F99), Y75 (≠ L100), N120 (= N146), E121 (= E147), T159 (= T187), A160 (= A188), Y161 (= Y189), S164 (= S192)

5dhuA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor (see paper)
26% identity, 74% coverage: 64:278/292 of query aligns to 37:253/263 of 5dhuA

query
sites
5dhuA

D

E

L

I

A

V

I

I

V

S

V

I

G

G

D

D

G

G

N

T

M

F

L

L

G

S

A

A

A

F

-

H

R

Q

V

Y

L

E

A

E

R

R

F

L

D

D

-

E

V

I

G

A

V

F

I

I

G

G

V

I

N

H

R

T

G

G

N

H

L

L

G

G

F

F

L

Y

T

A

D

D

L

W

P

R

P

P

D

A

G

E

F

A

E

D

E

K

S

L

L

V

A

K

A

L

V

L

L

A

D

K

G

G

E

E

F

Y

I

Q

T

K

E

V

H

S

R

Y

F

P

L

L

E

K

A

T

E

T

V

V

H

K

R

Y

H

G

G

I

T

K

M

K

K

E

A

A

S

T

N

Y

T

L

A

A

V

L

N

N

E
|
E

A

S

V

T

L

V

H

K

P

S

G

S

K

G

I
x
G

A
x
P

H

F

M

V

I

V

E

D

Y

-

E

-

V

V

Y

V

I

I

D

N

N

D

Q

I

F

H

M

F

Y

E

S

R

Q

F

R
|
R

A
x
G

D
|
D

G

G

M

L

I

C

V

M

S

S

T

T

P

P

T

S

G

G

S

T

T

T

A

A

Y
|
Y

S

N

L

K

S
|
S

A

L

G

G

A

A

I

L

L

M

T

H

P

P

N

S

L

I

Q

E

A

A

L

M

I

Q

L

L

V

T

P

E

M

M

F
x
A

P

S

-

I

-

N

-

R

-

V

H

Y

T

R

L

T

S

I

C

G

R

S

P

P

I

L

V

V

V

F

D

P

A

K

N

H

S

H

T

V

I

V

K

S

L

L

V

-

S

Q

P

P

E

V

N

N

G

D

E

K

N

D

L

F

E

Q

V

I

S

S

C

V

D

D

G

-

H
|
H

V

L

T

S

L

I

A

L

V

H

L

R

P

D

G

V

D

Q

E

E

I

I

F

R

I

Y

R

E

Q

V

S

S

S

A

E

K

R

K

L

I

R

H

L

F

I

A

H

R

P

F

K

R

N

S

Y

F

N

P

Y

F

F

W

binding 5'-azido-5'-deoxy-8-[(2-{[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine: E122 (= E147), G130 (≠ I155), P131 (≠ A156), R147 (= R174), G148 (≠ A175), D149 (= D176), Y162 (= Y189), S165 (= S192), A184 (≠ F211), H222 (= H247)

5dhtA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor (see paper)
26% identity, 74% coverage: 64:278/292 of query aligns to 37:253/263 of 5dhtA

query
sites
5dhtA

D

E

L

I

A

V

I

I

V

S

V

I

G

G

D

D

G

G

N

T

M

F

L

L

G

S

A

A

A

F

-

H

R

Q

V

Y

L

E

A

E

R

R

F

L

D

D

-

E

V

I

G

A

V

F

I

I

G

G

V

I

N

H

R

T

G

G

N

H

L

L

G

G

F

F

L

Y

T

A

D

D

L

W

P

R

P

P

D

A

G

E

F

A

E

D

E

K

S

L

L

V

A

K

A

L

V

L

L

A

D

K

G

G

E

E

F

Y

I

Q

T

K

E

V

H

S

R

Y

F

P

L

L

E

K

A

T

E

T

V

V

H

K

R

Y

H

G

G

I

T

K

M

K

K

E

A

A

S

T

N

Y

T

L

A

A

V

L

N
|
N

E
|
E

A

S

V

T

L

V

H

K

P

S

G

S

K

G

I

G

A
x
P

H

F

M

V

I

V

E

D

Y

-

E

-

V

V

Y

V

I

I

D

N

N

D

Q

I

F

H

M

F

Y

E

S

R

Q

F

R

R

A
x
G

D
|
D

G

G

M

L

I

C

V

M

S

S

T

T

P

P

T

S

G

G

S

T

T

T

A
|
A

Y
|
Y

S

N

L

K

S
|
S

A

L

G

G

A

A

I

L

L

M

T

H

P

P

N

S

L

I

Q

E

A

A

L

M

I

Q

L

L

V

T

P

E

M

M

F
x
A

P

S

-

I

-

N

-

R

-

V

H

Y

T

R

L

T

S

I

C

G

R

S

P

P

I

L

V

V

V

F

D

P

A

K

N

H

S

H

T

V

I

V

K

S

L

L

V

-

S

Q

P

P

E

V

N

N

G

D

E

K

N

D

L

F

E

Q

V

I

S

S

C

V

D

D

G

-

H

H

V

L

T

S

L

I

A

L

V

H

L

R

P

D

G

V

D

Q

E

E

I

I

F

R

I

Y

R

E

Q

V

S

S

S

A

E

K

R

K

L

I

R

H

L

F

I

A

H

R

P

F

K

R

N

S

Y

F

N

P

Y

F

F

W

binding 5'-azido-8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine: N121 (= N146), E122 (= E147), P131 (≠ A156), G148 (≠ A175), D149 (= D176), A161 (= A188), Y162 (= Y189), S165 (= S192), A184 (≠ F211)

5dhsA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor (see paper)
26% identity, 74% coverage: 64:278/292 of query aligns to 37:253/263 of 5dhsA

query
sites
5dhsA

D

E

L

I

A

V

I

I

V

S

V

I

G

G

D

D

G

G

N

T

M

F

L

L

G

S

A

A

A

F

-

H

R

Q

V

Y

L

E

A

E

R

R

F

L

D

D

-

E

V

I

G

A

V

F

I

I

G

G

V

I

N

H

R

T

G

G

N

H

L

L

G

G

F

F

L

Y

T

A

D

D

L

W

P

R

P

P

D

A

G

E

F

A

E

D

E

K

S

L

L

V

A

K

A

L

V

L

L

A

D

K

G

G

E

E

F

Y

I

Q

T

K

E

V

H

S

R

Y

F

P

L

L

E

K

A

T

E

T

V

V

H

K

R

Y

H

G

G

I

T

K

M

K

K

E

A

A

S

T

N

Y

T

L

A

A

V

L

N
|
N

E
|
E

A

S

V

T

L

V

H

K

P

S

G

S

K

G

I
x
G

A
x
P

H

F

M

V

I

V

E

D

Y

-

E

-

V

V

Y

V

I

I

D

N

N

D

Q

I

F

H

M

F

Y

E

S

R

Q

F

R
|
R

A
x
G

D
|
D

G

G

M

L

I

C

V

M

S

S

T

T

P

P

T

S

G

G

S

T

T

T

A

A

Y
|
Y

S

N

L

K

S
|
S

A

L

G

G

A

A

I

L

L

M

T

H

P

P

N

S

L

I

Q

E

A

A

L

M

I

Q

L

L

V

T

P

E

M

M

F
x
A

P

S

-

I

-

N

-

R

-

V

H

Y

T

R

L

T

S

I

C

G

R

S

P

P

I

L

V

V

V

F

D

P

A

K

N

H

S

H

T

V

I

V

K

S

L

L

V

-

S

Q

P

P

E

V

N

N

G

D

E

K

N

D

L

F

E

Q

V

I

S

S

C

V

D

D

G

-

H
|
H

V

L

T

S

L

I

A

L

V

H

L

R

P

D

G

V

D

Q

E

E

I

I

F

R

I

Y

R

E

Q

V

S

S

S

A

E

K

R

K

L

I

R

H

L

F

I

A

H

R

P

F

K

R

N

S

Y

F

N

P

Y

F

F

W

binding 5'-azido-5'-deoxy-8-[(2-{[2-(3-ethynylphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine: N121 (= N146), E122 (= E147), G130 (≠ I155), P131 (≠ A156), R147 (= R174), G148 (≠ A175), D149 (= D176), Y162 (= Y189), S165 (= S192), A184 (≠ F211), H222 (= H247)

5dhrA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor (see paper)
26% identity, 74% coverage: 64:278/292 of query aligns to 37:253/263 of 5dhrA

query
sites
5dhrA

D

E

L

I

A

V

I

I

V

S

V

I

G

G

D

D

G

G

N

T

M

F

L

L

G

S

A

A

A

F

-

H

R

Q

V

Y

L

E

A

E

R

R

F

L

D

D

-

E

V

I

G

A

V

F

I

I

G

G

V

I

N

H

R

T

G

G

N

H

L

L

G

G

F

F

L

Y

T

A

D

D

L

W

P

R

P

P

D

A

G

E

F

A

E

D

E

K

S

L

L

V

A

K

A

L

V

L

L

A

D

K

G

G

E

E

F

Y

I

Q

T

K

E

V

H

S

R

Y

F

P

L

L

E

K

A

T

E

T

V

V

H

K

R

Y

H

G

G

I

T

K

M

K

K

E

A

A

S

T

N

Y

T

L

A

A

V

L

N
|
N

E
|
E

A

S

V

T

L

V

H

K

P

S

G

S

K

G

I
x
G

A
x
P

H

F

M

V

I

V

E

D

Y

-

E

-

V

V

Y

V

I

I

D

N

N

D

Q

I

F

H

M

F

Y

E

S

R

Q

F

R
|
R

A
x
G

D
|
D

G

G

M

L

I

C

V

M

S

S

T

T

P

P

T

S

G

G

S

T

T

T

A

A

Y
|
Y

S

N

L

K

S
|
S

A

L

G

G

A

A

I

L

L

M

T

H

P

P

N

S

L

I

Q

E

A

A

L

M

I

Q

L

L

V

T

P

E

M

M

F

A

P

S

-

I

-

N

-

R

-

V

H

Y

T

R

L

T

S

I

C

G

R

S

P

P

I

L

V

V

V

F

D

P

A

K

N

H

S

H

T

V

I

V

K

S

L

L

V

-

S

Q

P

P

E

V

N

N

G

D

E

K

N

D

L

F

E

Q

V

I

S

S

C

V

D

D

G

-

H
|
H

V

L

T

S

L

I

A

L

V

H

L

R

P

D

G

V

D

Q

E

E

I

I

F

R

I

Y

R

E

Q

V

S

S

S

A

E

K

R

K

L

I

R

H

L

F

I

A

H

R

P

F

K

R

N

S

Y

F

N

P

Y

F

F

W

binding 5'-azido-8-[(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine: N121 (= N146), E122 (= E147), G130 (≠ I155), P131 (≠ A156), R147 (= R174), G148 (≠ A175), D149 (= D176), Y162 (= Y189), S165 (= S192), H222 (= H247)

5dhqA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor (see paper)
26% identity, 74% coverage: 64:278/292 of query aligns to 37:253/263 of 5dhqA

query
sites
5dhqA

D

E

L

I

A

V

I

I

V

S

V

I

G

G

D

D

G

G

N

T

M

F

L

L

G

S

A

A

A

F

-

H

R

Q

V

Y

L

E

A

E

R

R

F

L

D

D

-

E

V

I

G

A

V

F

I

I

G

G

V

I

N

H

R

T

G

G

N

H

L

L

G

G

F

F

L

Y

T

A

D

D

L

W

P

R

P

P

D

A

G

E

F

A

E

D

E

K

S

L

L

V

A

K

A

L

V

L

L

A

D

K

G

G

E

E

F

Y

I

Q

T

K

E

V

H

S

R

Y

F

P

L

L

E

K

A

T

E

T

V

V

H

K

R

Y

H

G

G

I

T

K

M

K

K

E

A

A

S

T

N

Y

T

L

A

A

V

L

N
|
N

E
|
E

A

S

V

T

L

V

H

K

P

S

G

S

K

G

I
x
G

A
x
P

H

F

M

V

I

V

E

D

Y

-

E

-

V

V

Y

V

I

I

D

N

N

D

Q

I

F

H

M

F

Y

E

S

R

Q

F

R
|
R

A
x
G

D
|
D

G

G

M

L

I

C

V

M

S

S

T

T

P

P

T

S

G

G

S

T

T

T

A

A

Y
|
Y

S

N

L

K

S
|
S

A

L

G

G

A

A

I

L

L

M

T

H

P

P

N

S

L

I

Q

E

A

A

L

M

I

Q

L

L

V

T

P

E

M

M

F

A

P

S

-

I

-

N

-

R

-

V

H

Y

T

R

L

T

S

I

C

G

R

S

P

P

I

L

V

V

V

F

D

P

A

K

N

H

S

H

T

V

I

V

K

S

L

L

V

-

S

Q

P

P

E

V

N

N

G

D

E

K

N

D

L

F

E

Q

V

I

S

S

C

V

D

D

G

-

H
|
H

V

L

T

S

L

I

A

L

V

H

L

R

P

D

G

V

D

Q

E

E

I

I

F

R

I

Y

R

E

Q

V

S

S

S

A

E

K

R

K

L

I

R

H

L

F

I

A

H

R

P

F

K

R

N

S

Y

F

N

P

Y

F

F

W

binding 8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine: N121 (= N146), E122 (= E147), G130 (≠ I155), P131 (≠ A156), R147 (= R174), G148 (≠ A175), D149 (= D176), Y162 (= Y189), S165 (= S192), H222 (= H247)

Query Sequence

>6938319 FitnessBrowser__SB2B:6938319
MTSQFHTIGLIGKPHHNGTNLTLKRLHHWLGSQGYEVLVEERVAGELGAKVEAVDLLAIG
NRCDLAIVVGGDGNMLGAARVLARFDVGVIGVNRGNLGFLTDLPPDGFEESLAAVLDGEF
ITEHRFLLEAEVHRHGTMKASNTAVNEAVLHPGKIAHMIEYEVYIDNQFMYSQRADGMIV
STPTGSTAYSLSAGGAILTPNLQALILVPMFPHTLSCRPIVVDANSTIKLVVSPENGENL
EVSCDGHVTLAVLPGDEIFIRQSSERLRLIHPKNYNYFHVLRNKLGWGSKLF

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