SitesBLAST

R175 (≠ W175) 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.

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)
30% identity, 75% coverage: 66:284/293 of query aligns to 77:297/307 of P9WHV7

query
sites
P9WHV7

D

E

V

L

L

V

L

L

S

V

L

L

G

G

D
|
D

G

G

T

T

L

F

L

L

D

R

T

A

L

A

S

E

L

L

I

A

R

R

N

N

S

A

G

S

I

I

P

P

V

V

I

L

G

G

I

V

N

N

F

L

G

G

R

R

L

I

G

G

F

F

L

L

A

A

S

E

I

A

N

E

K

A

N

E

E

A

I

I

A

D

S

A

A

V

L

L

K

E

A

H

L

V

I

V

N

A

K

Q

E

D

Y

Y

T

R

L

V

D

E

S

D

R

R

-

L

S

T

L

L

L

D

T

V

L

V

E

V

S

R

D

Q

N

G

G

G

L

R

F

I

G

V

E

N

E

R

N

G

F

W

A

A

L

L

N
|
N

D
x
E

I

V

T

S

I

L

H

E

R

K

R

G

D

P

N

R

S

L

A

G

M

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M

L

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G

I

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H

V

A

V

S

E

M

I

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G

E

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S

A

Y

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G

A

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D

D

G
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G

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x
L

I

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A

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T
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T

P
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P

T
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T

G
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G

S
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S

T
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T

A
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A

Y
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Y

S
x
A

L
x
F

S
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S

C

A

G
|
G

P

P

I

V

I

L

Y

W

P

P

D

D

S

L

E

E

N

A

F

I

V

L

I

V

T

V

P

P

I

N

A

N

P

A

H

H

N

A

L

L

N

F

V

G

R

R

P

P

V

M

I

V

L

T

P

S

D

P

D

E

N

A

K

T

L

I

S

A

F

I

E

E

V

I

E

E

A

A

R

D

E

G

S

H

K

D

F

A

L

L

V

V

S

F

C

C

D

D

S

G

-

R

R

R

T

E

V

M

T

L

V

I

E

P

R

A

S

G

V

S

K

R

I

L

S

E

I

V

K

T

K

R

A

C

D

V

F

T

C

S

V

V

N

K

L

W

I

A

R

R

L

L

N

D

N

S

E

A

T

P

Y

F

L

T

N

D

T

R

L

L

R

V

N

R

K

K

L

F

D85 (= D74) mutation to A: Abolishes catalytic activity.
N159 (= N147) mutation to A: Abolishes catalytic activity.
NE 159:160 (≠ ND 147:148) binding
E160 (≠ D148) mutation to A: Abolishes catalytic activity.
G190 (= G178) mutation to A: Abolishes catalytic activity.
L192 (≠ I180) mutation to A: Abolishes catalytic activity.
T195 (= T183) mutation to A: It promotes stronger allosteric interactions.
P196 (= P184) mutation to A: Abolishes catalytic activity.
T197 (= T185) binding ; mutation to A: Abolishes catalytic activity.
G198 (= G186) mutation to A: Abolishes catalytic activity.
S199 (= S187) mutation to A: Lower catalytic efficiency. A perturbation of the allosteric interactions is observed when NAD is used as substrate.
T200 (= T188) mutation to A: Abolishes catalytic activity.
TAYAFS 200:205 (≠ TAYSLS 188:193) binding
Y202 (= Y190) mutation to A: Abolishes catalytic activity.
G207 (= G195) mutation to A: Abolishes catalytic activity.
G208 (= G196) 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)
30% identity, 73% coverage: 72:284/293 of query aligns to 12:226/231 of 1y3iA

query
sites
1y3iA

G

G

D
|
D

G
|
G

T

T

L

F

L

L

D

R

T

A

L

A

S

E

L

L

I

A

R

R

N

N

S

A

G

S

I

I

P

P

V

V

I

L

G

G

I

V

N

N

F

L

G

G

R
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R

L

I

G

G

F
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F

L
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L

A

A

S

E

I

A

N

E

K

A

N

E

E

A

I

I

A

D

S

A

A

V

L

L

K

E

A

H

L

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I

V

N

A

K

Q

E

D

Y

Y

T

R

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V

D

E

S

D

R

R

-

L

S

T

L

L

L

D

T

V

L

V

E

V

S

R

D

Q

N

G

G

G

L

R

F

I

G

V

E

N

E

R

N

G

F

W

A

A

L

L

N
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N

D
x
E

I

V

T

S

I

L

H

E

R

K

R

G

D

P

N

R

S

L

A

G

M

V

M

L

I

G

I

V

H

V

A

V

S

E

M

I

N

D

D

G

E

R

F

P

I

V

N

S

S

A

Y

F

W

G

A

C

D

D

G

G

L

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I

L

I

V

A

S

T

T

P

P

T

T

G

G

S

S

T
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T

A
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A

Y
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Y

S

A

L

F

S
|
S

C

A

G

G

P

P

I

V

I

L

Y

W

P

P

D

D

S

L

E

E

N

A

F

I

V

L

I

V

T

V

P

P

I

N

A

N

P

A

H

H

N

A

L

L

N

F

V

G

R

R

P

P

V

M

I

V

L

T

P

S

D

P

D

E

N

A

K

T

L

I

S

A

F

I

E

E

V

I

E

E

A

A

R

D

E

G

S

H

K

D

F

A

L

L

V

V

S

F

C

C

D

D

S

G

-

R

R

R

T

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M

T

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P

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A

S

G

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K

R

I

L

S

E

I

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K

T

K

R

A

C

D

V

F

T

C

S

V

V

N

K

L

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I

A

R

R

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L

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D

N

S

E

A

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P

Y

F

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K

K

L

F

binding nicotinamide-adenine-dinucleotide: D14 (= D74), G15 (= G75), R38 (= R98), F41 (= F101), L42 (= L102), N88 (= N147), E89 (≠ D148), T129 (= T188), A130 (= A189), Y131 (= Y190), S134 (= S193)

3afoA Crystal structure of yeast nadh kinase complexed with nadh
34% identity, 59% coverage: 65:236/293 of query aligns to 111:285/360 of 3afoA

query
sites
3afoA

A

T

D

D

V

L

L

L

L

V

S

T

L

L

G

G

D
|
D

G
|
G

T

T

L

I

L
|
L

D

H

T

G

L

V

S

S

L

M

I

F

R

G

N

N

S

T

G

Q

I

V

P

P

-

P

V

V

I

L

G

A

I

F

N

A

F

L

G

G

R

T

L

L

G

G

F
|
F

L

L

A

S

S

P

I

F

N

D

K

F

N

K

E

E

I

H

A

K

S

K

A

V

L

F

K

Q

A

E

L

V

I

I

N

S

K

S

E

R

Y

A

T

K

L

C

D

L

S

H

R

R

S

T

L

R

L

L

T

E

-

C

-

H

L

L

E

K

S

K

D

K

N

D

G

S

L

N

F

S

G

S

E

I

E

V

N

T

F

H

A

A

L

M

N
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N

D
|
D

I

I

T

F

I

L

H

H

R

R

R

G

D

N

N

S

S

P

A

H

M

L

M

T

I

N

I

L

H

D

A

I

S

F

M

I

N

D

D

G

E

E

F

F

I

L

N

T

S

R

Y

T

W

T

A

A

D

D

G

G

L

V

I

A

I

L

A

A

T

T

P

P

T

T

G

G

S

S

T
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T

A
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A

Y
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Y

S

S

L

L

S
|
S

C

A

G

G

P

S

I

I

I

V

Y

S

P

P

D

L

S

V

E

P

N

A

F

I

V

L

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M

T

T

P

P

I

I

A

C

P

P

H

R

N

S

L

L

N

S

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R

R

P

P

V

L

I

I

L

L

P

P

D

H

D

S

N

S

K

H

L

I

S

R

F

I

E

K

V

I

E

G

A

S

R

K

binding 1,4-dihydronicotinamide adenine dinucleotide: D120 (= D74), G121 (= G75), L124 (= L78), F148 (= F101), N196 (= N147), D197 (= D148), T237 (= T188), A238 (= A189), Y239 (= Y190), S242 (= S193)

Sites not aligning to the query:

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

1z0zA Crystal structure of a NAD kinase from archaeoglobus fulgidus in complex with NAD (see paper)
27% identity, 81% coverage: 47:284/293 of query aligns to 22:245/249 of 1z0zA

query
sites
1z0zA

K

R

L

L

P

E

A

V

N

E

T

V

V

E

I

L

F

F

H

N

N

Q

H

P

T

S

E

E

L

E

K

L

E

E

L

N

A

F

D

D

V

F

L

I

L

V

S

S

L

V

G

G

D

D

G

G

T

T

L

I

L

L

D

R

T

I

L

L

S

Q

L

K

I

L

R

K

N

R

S

C

G

P

I

-

P

P

V

I

I

F

G

G

I

I

N

N

F

T

G

G

R

R

L

V

G

G

F

L

L

L

A

T

S

H

I

A

N

S

K

P

N

E

E

N

I

F

A

E

S

V

A

E

L

L

K

K

A

K

L

A

I

V

N

E

K

K

E

-

Y

F

T
x
E

L

V

D

E

S

R

R

F

S

P

L

R

L

V

T

S

L
x
C

E

S

S

A

D

M

N

P

G

D

L

V

F

L

G

-

E

-

N

-

F

-

A

A

L

L

N
|
N

D
x
E

I

I

T

A

I

V

H

L

R

S

R

R

D

K

N

P

S

A

A

K

M
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M

M

I

I

D

I

V

H

A

A

L

S

R

M

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N

D

D

G

E

V

F

E

I

V

N

D

S

R

Y

I

W
x
R

A

C

D
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D

G

G

L

F

I

I

I

V

A

A

T

T

P

Q

T

I

G

G

S

S

T
|
T

A

G

Y
|
Y

S

A

L

F

S
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S

C

A

G

G

P

P

I

V

Y

E

P

P

D

Y

S

L

E

E

N

C

F

F

V

I

I

L

T

I

P

P

I

I

A

A

P

P

H
x
F

N

R

L

F

N

G

V

W

R

K

P

P

V

Y

I

V

L

V

P

S

D

M

D

E

N

R

K

K

L

-

S

-

F

-

E

-

V

I

E

E

A

V

R

I

E

A

S

E

K

K

F

A

L

I

V

V

S

V

C

A

D
|
D

S
x
G

R

Q

T

K

V

-

T

S

V

V

E

D

R

F

S

D

V

G

K

E

I

I

S

T

I

I

K

E

K

K

A

S

D

E

F

F

C

-

V

-

N

P

L

A

I

V

R

F

L

F

N

K

N

N

E

E

T

K

Y

R

L

F

N

R

T

N

L

L

R

F

N

G

K

K

L

V

active site: E96 (≠ T123), C105 (≠ L132)
binding nicotinamide-adenine-dinucleotide: N115 (= N147), E116 (≠ D148), M127 (= M159), R143 (≠ W175), D145 (= D177), T156 (= T188), Y158 (= Y190), S161 (= S193), F182 (≠ H214), D209 (= D245), G210 (≠ S246)

1z0sA Crystal structure of an NAD kinase from archaeoglobus fulgidus in complex with atp (see paper)
27% identity, 81% coverage: 47:284/293 of query aligns to 22:245/249 of 1z0sA

query
sites
1z0sA

K

R

L

L

P

E

A

V

N

E

T

V

V

E

I

L

F

F

H

N

N

Q

H

P

T

S

E

E

L

E

K

L

E

E

L

N

A

F

D

D

V

F

L

I

L

V

S

S

L

V

G

G

G
|
G

D

D

G
|
G

T
|
T

L

I

L

L

D
x
R

T

I

L

L

S

Q

L

K

I

L

R

K

N

R

S

C

G

P

I

-

P

P

V

I

I

F

G

G

I

I

N

N

F

T

G

G

R
|
R

L

V

G

G

F

L

L

L

A

T

S

H

I

A

N

S

K

P

N

E

E

N

I

F

A

E

S

V

A

E

L

L

K

K

A

K

L

A

I

V

N

E

K

K

E

-

Y

F

T
x
E

L

V

D

E

S

R

R

F

S

P

L

R

L

V

T

S

L
x
C

E

S

S

A

D

M

N

P

G

D

L

V

F

L

G

-

E

-

N

-

F

-

A

A

L

L

N
|
N

D
x
E

I

I

T

A

I

V

H

L

R

S

R

R

D

K

N

P

S
x
A

A
x
K

M
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M

M

I

I

D

I

V

H

A

A

L

S

R

M

V

N

D

D

G

E

V

F

E

I

V

N

D

S

R

Y

I

W

R

A

C

D
|
D

G

G

L

F

I

I

I

V

A

A

T

T

P

Q

T

I

G

G

S

S

T

T

A
x
G

Y
|
Y

S

A

L

F

S
|
S

C

A

G

G

P

P

I

V

Y

E

P

P

D

Y

S

L

E

E

N

C

F

F

V

I

I

L

T

I

P

P

I

I

A
|
A

P

P

H
x
F

N

R

L

F

N

G

V

W

R

K

P

P

V

Y

I

V

L

V

P

S

D

M

D

E

N

R

K

K

L

-

S

-

F

-

E

-

V

I

E

E

A

V

R

I

E

A

S

E

K

K

F

A

L

I

V

V

S

V

C

A

D
|
D

S

G

R

Q

T

K

V

-

T

S

V

V

E

D

R

F

S

D

V

G

K

E

I

I

S

T

I

I

K

E

K

K

A

S

D

E

F

F

C

-

V

-

N

P

L

A

I

V

R

F

L

F

N

K

N

N

E

E

T

K

Y

R

L

F

N

R

T

N

L

L

R

F

N

G

K

K

L

V

active site: E96 (≠ T123), C105 (≠ L132)
binding adenosine-5'-triphosphate: R54 (≠ D79), N115 (= N147), E116 (≠ D148), A125 (≠ S157), K126 (≠ A158), M127 (= M159), D145 (= D177), G157 (≠ A189), Y158 (= Y190), S161 (= S193), A180 (= A212), F182 (≠ H214), D209 (= D245)
binding pyrophosphate 2-: G48 (= G73), G50 (= G75), T51 (= T76), R54 (≠ D79), R72 (= R98)

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)
27% identity, 81% coverage: 47:284/293 of query aligns to 22:245/249 of 1suwA

query
sites
1suwA

K

R

L

L

P

E

A

V

N

E

T

V

V

E

I

L

F

F

H

N

N

Q

H

P

T

S

E

E

L

E

K

L

E

E

L

N

A

F

D

D

V

F

L

I

L

V

S

S

L

V

G

G

G
|
G

D
|
D

G
|
G

T

T

L

I

L

L

D

R

T

I

L

L

S

Q

L

K

I

L

R

K

N

R

S

C

G

P

I

-

P

P

V

I

I

F

G

G

I

I

N

N

F

T

G

G

R

R

L

V

G

G

F

L

L

L

A

T

S

H

I

A

N

S

K

P

N

E

E

N

I

F

A

E

S

V

A

E

L

L

K

K

A

K

L

A

I

V

N

E

K

K

E

-

Y

F

T

E

L

V

D

E

S

R

R

F

S

P

L

R

L

V

T

S

L

C

E

S

S

A

D

M

N

P

G

D

L

V

F

L

G

-

E

-

N

-

F

-

A

A

L

L

N
|
N

D
x
E

I

I

T

A

I

V

H

L

R

S

R

R

D

K

N

P

S
x
A

A

K

M
|
M

M

I

I

D

I

V

H

A

A

L

S

R

M

V

N

D

D

G

E

V

F

E

I

V

N

D

S

R

Y

I

W
x
R

A

C

D
|
D

G

G

L

F

I

I

I

V

A

A

T

T

P

Q

T

I

G

G

S

S

T
|
T

A

G

Y
|
Y

S

A

L

F

S
|
S

C

A

G

G

P

P

I

V

Y

E

P

P

D

Y

S

L

E

E

N

C

F

F

V

I

I

L

T

I

P

P

I

I

A

A

P

P

H
x
F

N

R

L

F

N

G

V

W

R

K

P

P

V

Y

I

V

L

V

P

S

D

M

D

E

N

R

K

K

L

-

S

-

F

-

E

-

V

I

E

E

A

V

R

I

E

A

S

E

K

K

F

A

L

I

V

V

S

V

C

A

D
|
D

S
x
G

R

Q

T

K

V

-

T

S

V

V

E

D

R

F

S

D

V

G

K

E

I

I

S

T

I

I

K

E

K

K

A

S

D

E

F

F

C

-

V

-

N

P

L

A

I

V

R

F

L

F

N

K

N

N

E

E

T

K

Y

R

L

F

N

R

T

N

L

L

R

F

N

G

K

K

L

V

binding nadp nicotinamide-adenine-dinucleotide phosphate: G48 (= G73), D49 (= D74), G50 (= G75), N115 (= N147), E116 (≠ D148), A125 (≠ S157), M127 (= M159), R143 (≠ W175), D145 (= D177), T156 (= T188), Y158 (= Y190), S161 (= S193), F182 (≠ H214), D209 (= D245), G210 (≠ S246)

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)
27% identity, 81% coverage: 47:284/293 of query aligns to 22:245/249 of O30297

query
sites
O30297

K

R

L

L

P

E

A

V

N

E

T

V

V

E

I

L

F

F

H

N

N

Q

H

P

T

S

E

E

L

E

K

L

E

E

L

N

A

F

D

D

V

F

L

I

L

V

S

S

L

V

G

G

D
|
D

G
|
G

T

T

L

I

L

L

D
x
R

T

I

L

L

S

Q

L

K

I

L

R

K

N

R

S

C

G

P

I

-

P

P

V

I

I

F

G

G

I

I

N

N

F

T

G

G

R

R

L

V

G

G

F

L

L

L

A

T

S

H

I

A

N

S

K

P

N

E

E

N

I

F

A

E

S

V

A

E

L

L

K

K

A

K

L

A

I

V

N

E

K

K

E

-

Y

F

T

E

L

V

D

E

S

R

R

F

S

P

L

R

L

V

T

S

L

C

E

S

S

A

D

M

N

P

G

D

L

V

F

L

G

-

E

-

N

-

F

-

A

A

L

L

N
|
N

D
x
E

I

I

T

A

I

V

H

L

R

S

R

R

D

K

N

P

S

A

A
x
K

M

M

M

I

I

D

I

V

H

A

A

L

S

R

M

V

N

D

D

G

E

V

F

E

I

V

N

D

S

R

Y

I

W
x
R

A

C

D

D

G

G

L

F

I

I

I

V

A

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

C

A

G

G

P

P

I

V

Y

E

P

P

D

Y

S

L

E

E

N

C

F

F

V

I

I

L

T

I

P

P

I

I

A

A

P

P

H

F

N

R

L

F

N

G

V

W

R

K

P

P

V

Y

I

V

L

V

P

S

D

M

D

E

N

R

K

K

L

-

S

-

F

-

E

-

V

I

E

E

A

V

R

I

E

A

S

E

K

K

F

A

L

I

V

V

S

V

C

A

D

D

S

G

R
x
Q

T

K

V

-

T

S

V

V

E

D

R

F

S

D

V

G

K

E

I

I

S

T

I

I

K

E

K

K

A

S

D

E

F

F

C

-

V

-

N

P

L

A

I

V

R

F

L

F

N

K

N

N

E

E

T

K

Y

R

L

F

N

R

T

N

L

L

R

F

N

G

K

K

L

V

DG 49:50 (= DG 74:75) binding
R54 (≠ D79) binding
NE 115:116 (≠ ND 147:148) binding
K126 (≠ A158) binding
R143 (≠ W175) binding
I153 (≠ T185) binding
TGYAFS 156:161 (≠ TAYSLS 188:193) binding
Q211 (≠ R247) binding

Q9P7K3 Uncharacterized kinase C24B10.02c; EC 2.7.1.- from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
27% identity, 77% coverage: 66:292/293 of query aligns to 176:412/449 of Q9P7K3

query
sites
Q9P7K3

D

D

V

L

L

A

L

I

S

T

L

I

G

G

G

D

D

N

G

S

T

T

L

L

D

Y

T

T

L

S

S

W

L

L

I

F

R

Q

N

K

S

I

G

G

I

P

P

P

V

V

I

L

G

S

I

F

N

S

F

D

G

D

R

D

L

V

-

P

G

G

F

F

L

L

A

T

S

H

I

F

N

S

K

L

N

S

E

N

I

Y

A

Q

S

Q

A

H

L

L

K

Y

A

Q

L

V

I

L

N

T

K

Q

E

N

Y

V

T

S

L

L

D

R

S

F

R

C

S

S

L

R

L

L

T

Q

L

C

-

S

-

F

-

H

-

K

-

Y

-

D

-

E

E

K

S

T

D

K

N

Q

G

Y

L

S

F

L

G

A

E

S

E

T

N

T

F

Y

A

S

L

L

N

D

D

E

I

I

T

L

I

I

H

S

R

R

R

G

D

E

N

H

S

P

A

F

M

I

M

S

I

N

I

L

H

N

A

V

S

Y

M

N

N

N

D

S

E

E

F

L

I

M

N

T

S

V

Y

V

W

Q

A

A

D

D

G

G

L

L

I

V

A

A

T

T

P

P

T

T

G

G

S

S

T

T

A

N

Y

I

S

S

L

A

S

N

C

A

G

G

P

S

I

L

I

V

Y

H

P

P

D

A

S

L

E

N

N

A

F

I

V

L

I

V

T

T

P

P

I

V

A

C

P

P

H

H

N

T

L

L

N

S

V

F

R

R

P

P

V

I

I

I

L

L

P

P

D

D

D

Y

N

N

K

V

L

L

S

N

F

V

E

E

V

I

-

P

-

L

E

D

A

S

R

R

E

S

S

S

K

A

F

F

L

F

V

S

S

V

C

D

D

R

S

H

R

E

T

S

V

V

T

E

V

M

E

H

R

R

S

G

V

D

K

Y

I

L

S

S

I

I

K

V

K

T

A

S

D

H

F

Y

C

P

V

F

N

T

L

T

I

I

R

Q

L

N

N

P

N

G

E

Y

T

Q

Y

W

L

T

N

K

T

V

L

L

R

E

N

D

K

K

L

F

L

N

W

W

G

N

I

V

D

R

T

E

R

R

N

Q

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)
27% identity, 78% coverage: 59:286/293 of query aligns to 273:511/537 of O13863

query
sites
O13863

T

T

E

Q

L

C

K

P

E

N

L

L

A

F

D

D

V

C

L

V

L

I

S

T

L

V

G

G

G

D

D

D

G

S

T

A

L

A

L

L

D

R

T

A

L

S

S

W

L

L

I

F

R

Q

N

D

S

V

G

V

I

P

P

P

V

V

I

L

G

S

I

F

N

S

F

T

G

A

R

K

L

A

G

G

F

F

L

L

A

S

S

I

I

L

N

P

K

I

N

A

E

E

I

Y

A

T

S

K

A

T

L

L

K

D

A

L

L

I

I

F

N

H

K

R

E

G

Y

F

T

T

L

V

D

N

S

L

R

R

S

M

L

R

L

F

T

Q

L

C

-

S

-

I

-

M

-

R

-

Y

-

V

-

G

E

E

S

H

D

S

N

T

G

H

L

I

F

C

G

E

E

G

E

Q

N

Y

F

S

A

V

L

L

N

N

D

E

I

L

T

L

I

I

H

D

R

R

R

G

D

P

N

N

S

P

A

F

M

M

M

I

I

S

I

L

H

D

A

L

S

Y

M

V

N

E

D

N

E

E

F

Y

I

I

N

T

S

T

Y

L

W

Q

A

S

D

D

G

G

L

V

I

C

I

V

A

S

T

T

P

P

T

T

G

G

S

S

T

T

A

A

Y

Y

S

S

L

V

S

A

C

A

G

G

P

S

I

L

I

C

Y

H

P

P

D

G

S

I

E

P

N

A

F

I

V

L

I

I

T

S

P

A

I

I

A

C

P

P

H

H

N

S

L

L

N

S

V

F

R

R

P

P

V

I

I

I

L

L

P

P

D

D

D

S

N

M

K

T

L

L

S

R

F

I

E

V

V

V

-

P

-

L

E

D

A

A

R

R

E

S

S

N

K

A

F

W

L

C

V

A

S

F

C

D

D

G

S

H

R

H

T

R

V

I

T

E

V

L

E

G

R

L

S

G

V

D

K

Y

I

I

S

S

I

I

K

S

K

A

A

S

D

S

F

F

C

P

V

F

-

P

N

S

L

V

I

I

R

R

L

S

N

K

-

Y

N

S

E

K

T

D

Y

W

L

F

N

D

T

I

L

L

R

R

N

Q

K

T

L

L

L

N

W

W

Sites not aligning to the query:

72 modified: Phosphoserine

7zzdA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a linear di-adenosine derivative (see paper)
29% identity, 68% coverage: 66:265/293 of query aligns to 37:244/262 of 7zzdA

query
sites
7zzdA

D

E

V

I

L

V

L

I

S

S

L

I

G

G

D
|
D

G
|
G

T

T

L

F

L

L

D

S

T

A

L

F

S

H

L

Q

I

Y

-

E

R

R

N

L

S

D

G

E

I

I

P

A

V

F

I

I

G

G

I

I

N

H

F

T

G

G

R

H

L

L

G

G

F
|
F

L
x
Y

A

A

S

D

I

W

N

R

K

P

N

A

E

E

I

A

A

D

S

K

A

L

L

V

K

K

A

L

L

L

I

A

N

K

K

G

E

E

Y

Y

T

Q

L

K

D

V

S

S

R

Y

S

P

L

L

T

K

L

T

E

T

S

V

D

K

N

Y

G

G

L

I

F

K

G

E

E

A

E

T

N

Y

F

L

A

A

L

L

N
|
N

D
x
E

I

S

T

T

I

V

H

-

R

-

R

K

D

S

N

S

S

G

A

G

M

P

M

F

I

V

H

D

A

V

S

V

M

I

N

N

D

D

E

I

F

H

I

F

N

E

S

R

Y

F

W

R

A

G

D

D

G

G

L

L

I

C

I

M

A

S

T

T

P

P

T

S

G

G

S

T

T
|
T

A
|
A

Y
|
Y

S

N

L

K

S
|
S

C

L

G

G

P

A

I

L

I

M

Y

H

P

P

D

S

S

I

E

E

N

A

F

M

V

Q

I

L

T

T

P

E

I

M

A

A

P

S

H

I

N

N

L

N

N

R

V

V

-

Y

-

R

-

T

-

I

-

G

R

S

P

P

V

L

I

V

L

F

P

P

D

K

D

H

N

H

K

V

L

V

S

S

F

L

E

Q

V

-

E

P

A

V

R

N

E

D

S

K

K

D

F

F

L

Q

V

I

S

S

C

V

D

D

S
x
H

R

L

T

S

V

I

-

L

-

H

-

R

-

D

T

V

V

Q

E

E

R

I

S

R

V

Y

K

E

I

V

S

S

I

A

K

K

A

I

D

H

F

F

C

A

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 (= D74), G46 (= G75), F74 (= F101), Y75 (≠ L102), N120 (= N147), E121 (≠ D148), T159 (= T188), A160 (= A189), Y161 (= Y190), S164 (= S193), H221 (≠ S246)

7zz9A Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a linear di-adenosine derivative (see paper)
29% identity, 68% coverage: 66:265/293 of query aligns to 37:244/262 of 7zz9A

query
sites
7zz9A

D

E

V

I

L

V

L

I

S

S

L

I

G

G

D
|
D

G
|
G

T

T

L

F

L
|
L

D

S

T

A

L

F

S

H

L

Q

I

Y

-

E

R

R

N

L

S

D

G

E

I

I

P

A

V

F

I

I

G

G

I

I

N

H

F

T

G

G

R

H

L

L

G

G

F
|
F

L
x
Y

A

A

S

D

I

W

N

R

K

P

N

A

E

E

I

A

A

D

S

K

A

L

L

V

K

K

A

L

L

L

I

A

N

K

K

G

E

E

Y

Y

T

Q

L

K

D

V

S

S

R

Y

S

P

L

L

T

K

L

T

E

T

S

V

D

K

N

Y

G

G

L

I

F

K

G

E

E

A

E

T

N

Y

F

L

A

A

L

L

N
|
N

D
x
E

I

S

T

T

I

V

H

-

R

-

R

K

D

S

N

S

S

G

A

G

M

P

M

F

I

V

H

D

A

V

S

V

M

I

N

N

D

D

E

I

F

H

I

F

N

E

S

R

Y

F

W

R

A

G

D

D

G

G

L

L

I

C

I

M

A

S

T

T

P

P

T

S

G

G

S

T

T
|
T

A
|
A

Y
|
Y

S

N

L

K

S
|
S

C

L

G

G

P

A

I

L

I

M

Y

H

P

P

D

S

S

I

E

E

N

A

F

M

V

Q

I

L

T

T

P

E

I

M

A

A

P

S

H

I

N

N

L

N

N

R

V

V

-

Y

-

R

-

T

-

I

-

G

R

S

P

P

V

L

I

V

L

F

P

P

D

K

D

H

N

H

K

V

L

V

S

S

F

L

E

Q

V

-

E

P

A

V

R

N

E

D

S

K

K

D

F

F

L

Q

V

I

S

S

C

V

D

D

S

H

R

L

T

S

V

I

-

L

-

H

-

R

-

D

T

V

V

Q

E

E

R

I

S

R

V

Y

K

E

I

V

S

S

I

A

K

K

A

I

D

H

F

F

C

A

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 (= D74), G46 (= G75), L49 (= L78), F74 (= F101), Y75 (≠ L102), N120 (= N147), E121 (≠ D148), T159 (= T188), A160 (= A189), Y161 (= Y190), S164 (= S193)

6z64A Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a di-adenosine derivative (see paper)
29% identity, 68% coverage: 66:265/293 of query aligns to 37:244/262 of 6z64A

query
sites
6z64A

D

E

V

I

L

V

L

I

S

S

L

I

G

G

D
|
D

G

G

T

T

L

F

L
|
L

D

S

T

A

L

F

S

H

L

Q

I

Y

-

E

R

R

N

L

S

D

G

E

I

I

P

A

V

F

I

I

G

G

I

I

N

H

F

T

G

G

R

H

L

L

G

G

F
|
F

L
x
Y

A

A

S

D

I

W

N

R

K

P

N

A

E

E

I

A

A

D

S

K

A

L

L

V

K

K

A

L

L

L

I

A

N

K

K

G

E

E

Y

Y

T

Q

L

K

D

V

S

S

R

Y

S

P

L

L

T

K

L

T

E

T

S

V

D

K

N

Y

G

G

L

I

F

K

G

E

E

A

E

T

N

Y

F

L

A

A

L

L

N
|
N

D
x
E

I

S

T

T

I

V

H

-

R

-

R

K

D

S

N

S

S

G

A

G

M

P

M

F

I

V

H

D

A

V

S

V

M

I

N

N

D

D

E

I

F

H

I

F

N

E

S

R

Y

F

W

R

A

G

D

D

G

G

L

L

I

C

I

M

A

S

T

T

P

P

T

S

G

G

S

T

T
|
T

A
|
A

Y
|
Y

S

N

L

K

S
|
S

C

L

G

G

P

A

I

L

I

M

Y

H

P

P

D

S

S

I

E

E

N

A

F

M

V

Q

I

L

T

T

P

E

I

M

A

A

P

S

H

I

N

N

L

N

N

R

V

V

-

Y

-

R

-

T

-

I

-

G

R

S

P

P

V

L

I

V

L

F

P

P

D

K

D

H

N

H

K

V

L

V

S

S

F

L

E

Q

V

-

E

P

A

V

R

N

E

D

S

K

K

D

F

F

L

Q

V

I

S

S

C

V

D

D

S

H

R

L

T

S

V

I

-

L

-

H

-

R

-

D

T

V

V

Q

E

E

R

I

S

R

V

Y

K

E

I

V

S

S

I

A

K

K

A

I

D

H

F

F

C

A

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 (= D74), L49 (= L78), F74 (= F101), Y75 (≠ L102), N120 (= N147), E121 (≠ D148), T159 (= T188), A160 (= A189), Y161 (= Y190), S164 (= S193)

5dhuA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor (see paper)
29% identity, 68% coverage: 66:265/293 of query aligns to 37:245/263 of 5dhuA

query
sites
5dhuA

D

E

V

I

L

V

L

I

S

S

L

I

G

G

D

D

G

G

T

T

L

F

L

L

D

S

T

A

L

F

S

H

L

Q

I

Y

-

E

R

R

N

L

S

D

G

E

I

I

P

A

V

F

I

I

G

G

I

I

N

H

F

T

G

G

R

H

L

L

G

G

F

F

L

Y

A

A

S

D

I

W

N

R

K

P

N

A

E

E

I

A

A

D

S

K

A

L

L

V

K

K

A

L

L

L

I

A

N

K

K

G

E

E

Y

Y

T

Q

L

K

D

V

S

S

R

Y

S

P

L

L

T

K

L

T

E

T

S

V

D

K

N

Y

G

G

L

I

F

K

G

K

E

E

E

A

N

T

F

Y

-

L

A

A

L

L

N

N

D
x
E

I

S

T

T

I

V

H

-

R

-

R

K

D

S

N

S

S

G

A
x
G

M
x
P

M

F

I

V

H

D

A

V

S

V

M

I

N

N

D

D

E

I

F

H

I

F

N

E

S

R

Y

F

W
x
R

A
x
G

D
|
D

G

G

L

L

I

C

I

M

A

S

T

T

P

P

T

S

G

G

S

T

T

T

A

A

Y
|
Y

S

N

L

K

S
|
S

C

L

G

G

P

A

I

L

I

M

Y

H

P

P

D

S

S

I

E

E

N

A

F

M

V

Q

I

L

T

T

P

E

I

M

A
|
A

P

S

H

I

N

N

L

N

N

R

V

V

-

Y

-

R

-

T

-

I

-

G

R

S

P

P

V

L

I

V

L

F

P

P

D

K

D

H

N

H

K

V

L

V

S

S

F

L

E

Q

V

-

E

P

A

V

R

N

E

D

S

K

K

D

F

F

L

Q

V

I

S

S

C

V

D

D

S
x
H

R

L

T

S

V

I

-

L

-

H

-

R

-

D

T

V

V

Q

E

E

R

I

S

R

V

Y

K

E

I

V

S

S

I

A

K

K

A

I

D

H

F

F

C

A

binding 5'-azido-5'-deoxy-8-[(2-{[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine: E122 (≠ D148), G130 (≠ A158), P131 (≠ M159), R147 (≠ W175), G148 (≠ A176), D149 (= D177), Y162 (= Y190), S165 (= S193), A184 (= A212), H222 (≠ S246)

5dhtA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor (see paper)
29% identity, 68% coverage: 66:265/293 of query aligns to 37:245/263 of 5dhtA

query
sites
5dhtA

D

E

V

I

L

V

L

I

S

S

L

I

G

G

D

D

G

G

T

T

L

F

L

L

D

S

T

A

L

F

S

H

L

Q

I

Y

-

E

R

R

N

L

S

D

G

E

I

I

P

A

V

F

I

I

G

G

I

I

N

H

F

T

G

G

R

H

L

L

G

G

F

F

L

Y

A

A

S

D

I

W

N

R

K

P

N

A

E

E

I

A

A

D

S

K

A

L

L

V

K

K

A

L

L

L

I

A

N

K

K

G

E

E

Y

Y

T

Q

L

K

D

V

S

S

R

Y

S

P

L

L

T

K

L

T

E

T

S

V

D

K

N

Y

G

G

L

I

F

K

G

K

E

E

E

A

N

T

F

Y

-

L

A

A

L

L

N
|
N

D
x
E

I

S

T

T

I

V

H

-

R

-

R

K

D

S

N

S

S

G

A

G

M
x
P

M

F

I

V

H

D

A

V

S

V

M

I

N

N

D

D

E

I

F

H

I

F

N

E

S

R

Y

F

W

R

A
x
G

D
|
D

G

G

L

L

I

C

I

M

A

S

T

T

P

P

T

S

G

G

S

T

T

T

A
|
A

Y
|
Y

S

N

L

K

S
|
S

C

L

G

G

P

A

I

L

I

M

Y

H

P

P

D

S

S

I

E

E

N

A

F

M

V

Q

I

L

T

T

P

E

I

M

A
|
A

P

S

H

I

N

N

L

N

N

R

V

V

-

Y

-

R

-

T

-

I

-

G

R

S

P

P

V

L

I

V

L

F

P

P

D

K

D

H

N

H

K

V

L

V

S

S

F

L

E

Q

V

-

E

P

A

V

R

N

E

D

S

K

K

D

F

F

L

Q

V

I

S

S

C

V

D

D

S

H

R

L

T

S

V

I

-

L

-

H

-

R

-

D

T

V

V

Q

E

E

R

I

S

R

V

Y

K

E

I

V

S

S

I

A

K

K

A

I

D

H

F

F

C

A

binding 5'-azido-8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine: N121 (= N147), E122 (≠ D148), P131 (≠ M159), G148 (≠ A176), D149 (= D177), A161 (= A189), Y162 (= Y190), S165 (= S193), A184 (= A212)

5dhsA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor (see paper)
29% identity, 68% coverage: 66:265/293 of query aligns to 37:245/263 of 5dhsA

query
sites
5dhsA

D

E

V

I

L

V

L

I

S

S

L

I

G

G

D

D

G

G

T

T

L

F

L

L

D

S

T

A

L

F

S

H

L

Q

I

Y

-

E

R

R

N

L

S

D

G

E

I

I

P

A

V

F

I

I

G

G

I

I

N

H

F

T

G

G

R

H

L

L

G

G

F

F

L

Y

A

A

S

D

I

W

N

R

K

P

N

A

E

E

I

A

A

D

S

K

A

L

L

V

K

K

A

L

L

L

I

A

N

K

K

G

E

E

Y

Y

T

Q

L

K

D

V

S

S

R

Y

S

P

L

L

T

K

L

T

E

T

S

V

D

K

N

Y

G

G

L

I

F

K

G

K

E

E

E

A

N

T

F

Y

-

L

A

A

L

L

N
|
N

D
x
E

I

S

T

T

I

V

H

-

R

-

R

K

D

S

N

S

S

G

A
x
G

M
x
P

M

F

I

V

H

D

A

V

S

V

M

I

N

N

D

D

E

I

F

H

I

F

N

E

S

R

Y

F

W
x
R

A
x
G

D
|
D

G

G

L

L

I

C

I

M

A

S

T

T

P

P

T

S

G

G

S

T

T

T

A

A

Y
|
Y

S

N

L

K

S
|
S

C

L

G

G

P

A

I

L

I

M

Y

H

P

P

D

S

S

I

E

E

N

A

F

M

V

Q

I

L

T

T

P

E

I

M

A
|
A

P

S

H

I

N

N

L

N

N

R

V

V

-

Y

-

R

-

T

-

I

-

G

R

S

P

P

V

L

I

V

L

F

P

P

D

K

D

H

N

H

K

V

L

V

S

S

F

L

E

Q

V

-

E

P

A

V

R

N

E

D

S

K

K

D

F

F

L

Q

V

I

S

S

C

V

D

D

S
x
H

R

L

T

S

V

I

-

L

-

H

-

R

-

D

T

V

V

Q

E

E

R

I

S

R

V

Y

K

E

I

V

S

S

I

A

K

K

A

I

D

H

F

F

C

A

binding 5'-azido-5'-deoxy-8-[(2-{[2-(3-ethynylphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine: N121 (= N147), E122 (≠ D148), G130 (≠ A158), P131 (≠ M159), R147 (≠ W175), G148 (≠ A176), D149 (= D177), Y162 (= Y190), S165 (= S193), A184 (= A212), H222 (≠ S246)

5dhrA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor (see paper)
29% identity, 68% coverage: 66:265/293 of query aligns to 37:245/263 of 5dhrA

query
sites
5dhrA

D

E

V

I

L

V

L

I

S

S

L

I

G

G

D

D

G

G

T

T

L

F

L

L

D

S

T

A

L

F

S

H

L

Q

I

Y

-

E

R

R

N

L

S

D

G

E

I

I

P

A

V

F

I

I

G

G

I

I

N

H

F

T

G

G

R

H

L

L

G

G

F

F

L

Y

A

A

S

D

I

W

N

R

K

P

N

A

E

E

I

A

A

D

S

K

A

L

L

V

K

K

A

L

L

L

I

A

N

K

K

G

E

E

Y

Y

T

Q

L

K

D

V

S

S

R

Y

S

P

L

L

T

K

L

T

E

T

S

V

D

K

N

Y

G

G

L

I

F

K

G

K

E

E

E

A

N

T

F

Y

-

L

A

A

L

L

N
|
N

D
x
E

I

S

T

T

I

V

H

-

R

-

R

K

D

S

N

S

S

G

A
x
G

M
x
P

M

F

I

V

H

D

A

V

S

V

M

I

N

N

D

D

E

I

F

H

I

F

N

E

S

R

Y

F

W
x
R

A
x
G

D
|
D

G

G

L

L

I

C

I

M

A

S

T

T

P

P

T

S

G

G

S

T

T

T

A

A

Y
|
Y

S

N

L

K

S
|
S

C

L

G

G

P

A

I

L

I

M

Y

H

P

P

D

S

S

I

E

E

N

A

F

M

V

Q

I

L

T

T

P

E

I

M

A

A

P

S

H

I

N

N

L

N

N

R

V

V

-

Y

-

R

-

T

-

I

-

G

R

S

P

P

V

L

I

V

L

F

P

P

D

K

D

H

N

H

K

V

L

V

S

S

F

L

E

Q

V

-

E

P

A

V

R

N

E

D

S

K

K

D

F

F

L

Q

V

I

S

S

C

V

D

D

S
x
H

R

L

T

S

V

I

-

L

-

H

-

R

-

D

T

V

V

Q

E

E

R

I

S

R

V

Y

K

E

I

V

S

S

I

A

K

K

A

I

D

H

F

F

C

A

binding 5'-azido-8-[(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine: N121 (= N147), E122 (≠ D148), G130 (≠ A158), P131 (≠ M159), R147 (≠ W175), G148 (≠ A176), D149 (= D177), Y162 (= Y190), S165 (= S193), H222 (≠ S246)

5dhqA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor (see paper)
29% identity, 68% coverage: 66:265/293 of query aligns to 37:245/263 of 5dhqA

query
sites
5dhqA

D

E

V

I

L

V

L

I

S

S

L

I

G

G

D

D

G

G

T

T

L

F

L

L

D

S

T

A

L

F

S

H

L

Q

I

Y

-

E

R

R

N

L

S

D

G

E

I

I

P

A

V

F

I

I

G

G

I

I

N

H

F

T

G

G

R

H

L

L

G

G

F

F

L

Y

A

A

S

D

I

W

N

R

K

P

N

A

E

E

I

A

A

D

S

K

A

L

L

V

K

K

A

L

L

L

I

A

N

K

K

G

E

E

Y

Y

T

Q

L

K

D

V

S

S

R

Y

S

P

L

L

T

K

L

T

E

T

S

V

D

K

N

Y

G

G

L

I

F

K

G

K

E

E

E

A

N

T

F

Y

-

L

A

A

L

L

N
|
N

D
x
E

I

S

T

T

I

V

H

-

R

-

R

K

D

S

N

S

S

G

A
x
G

M
x
P

M

F

I

V

H

D

A

V

S

V

M

I

N

N

D

D

E

I

F

H

I

F

N

E

S

R

Y

F

W
x
R

A
x
G

D
|
D

G

G

L

L

I

C

I

M

A

S

T

T

P

P

T

S

G

G

S

T

T

T

A

A

Y
|
Y

S

N

L

K

S
|
S

C

L

G

G

P

A

I

L

I

M

Y

H

P

P

D

S

S

I

E

E

N

A

F

M

V

Q

I

L

T

T

P

E

I

M

A

A

P

S

H

I

N

N

L

N

N

R

V

V

-

Y

-

R

-

T

-

I

-

G

R

S

P

P

V

L

I

V

L

F

P

P

D

K

D

H

N

H

K

V

L

V

S

S

F

L

E

Q

V

-

E

P

A

V

R

N

E

D

S

K

K

D

F

F

L

Q

V

I

S

S

C

V

D

D

S
x
H

R

L

T

S

V

I

-

L

-

H

-

R

-

D

T

V

V

Q

E

E

R

I

S

R

V

Y

K

E

I

V

S

S

I

A

K

K

A

I

D

H

F

F

C

A

binding 8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine: N121 (= N147), E122 (≠ D148), G130 (≠ A158), P131 (≠ M159), R147 (≠ W175), G148 (≠ A176), D149 (= D177), Y162 (= Y190), S165 (= S193), H222 (≠ S246)

5dhpA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor (see paper)
29% identity, 68% coverage: 66:265/293 of query aligns to 37:245/263 of 5dhpA

query
sites
5dhpA

D

E

V

I

L

V

L

I

S

S

L

I

G

G

D

D

G

G

T

T

L

F

L

L

D

S

T

A

L

F

S

H

L

Q

I

Y

-

E

R

R

N

L

S

D

G

E

I

I

P

A

V

F

I

I

G

G

I

I

N

H

F

T

G

G

R

H

L

L

G

G

F

F

L

Y

A

A

S

D

I

W

N

R

K

P

N

A

E

E

I

A

A

D

S

K

A

L

L

V

K

K

A

L

L

L

I

A

N

K

K

G

E

E

Y

Y

T

Q

L

K

D

V

S

S

R

Y

S

P

L

L

T

K

L

T

E

T

S

V

D

K

N

Y

G

G

L

I

F

K

G

K

E

E

E

A

N

T

F

Y

-

L

A

A

L

L

N
|
N

D
x
E

I

S

T

T

I

V

H

-

R

-

R

K

D

S

N

S

S

G

A
x
G

M
x
P

M

F

I

V

H

D

A

V

S

V

M

I

N

N

D

D

E

I

F

H

I

F

N

E

S

R

Y

F

W

R

A

G

D
|
D

G

G

L

L

I

C

I

M

A

S

T

T

P

P

T

S

G

G

S

T

T

T

A

A

Y
|
Y

S

N

L

K

S
|
S

C

L

G

G

P

A

I

L

I

M

Y

H

P

P

D

S

S

I

E

E

N

A

F

M

V

Q

I

L

T

T

P

E

I

M

A

A

P

S

H

I

N

N

L

N

N

R

V

V

-

Y

-

R

-

T

-

I

-

G

R

S

P

P

V

L

I

V

L

F

P

P

D

K

D

H

N

H

K

V

L

V

S

S

F

L

E

Q

V

-

E

P

A

V

R

N

E

D

S

K

K

D

F

F

L

Q

V

I

S

S

C

V

D

D

S
x
H

R

L

T

S

V

I

-

L

-

H

-

R

-

D

T

V

V

Q

E

E

R

I

S

R

V

Y

K

E

I

V

S

S

I

A

K

K

A

I

D

H

F

F

C

A

binding 8-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)adenosine: N121 (= N147), E122 (≠ D148), G130 (≠ A158), P131 (≠ M159), D149 (= D177), Y162 (= Y190), S165 (= S193), H222 (≠ S246)

Query Sequence

>CA265_RS15090 CA265_RS15090 NAD kinase
MRIAIYGRDFNDTVLPYVQEVFNHLAEHHIQPVLYSKFKTSLHGKIKLPANTVIFHNHTE
LKELADVLLSLGGDGTLLDTLSLIRNSGIPVIGINFGRLGFLASINKNEIASALKALINK
EYTLDSRSLLTLESDNGLFGEENFALNDITIHRRDNSAMMIIHASMNDEFINSYWADGLI
IATPTGSTAYSLSCGGPIIYPDSENFVITPIAPHNLNVRPVILPDDNKLSFEVEARESKF
LVSCDSRTVTVERSVKISIKKADFCVNLIRLNNETYLNTLRNKLLWGIDTRNY

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