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.

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)
37% identity, 71% coverage: 63:271/294 of query aligns to 76:295/307 of P9WHV7

query
sites
P9WHV7

C

C

D

E

L

L

V

V

I

L

V

V

V

L

G

G

D
|
D

G

G

S

T

L

F

L

L

G

R

A

A

R

E

E

L

L

A

A

R

K

N

S

A

K

S

I

I

P

P

L

V

L

L

G

G

V

V

N

N

R

L

G

G

R

R

L

I

G

G

F

F

L

L

T

A

D

E

I

A

S

E

P

A

S

E

D

A

L

I

E

D

E

A

R

V

L

L

G

E

K

H

V

V

L

V

E

A

G

Q

E

D

Y

Y

M

R

E

V

E

E

T

D

R

R

F

L

L

T

L

L

D

D

G

V

N

V

V

V

E

R

R

Q

N

G

G

G

Q

R

P

I

L

V

G

N

F

R

G

G

T

W

A

A

L

L

N
|
N

D
x
E

V

V

V

S

L

L

H

E

P

K

G

G

K

P

S

R

T

L

R

G

M

V

I

L

G

G

F

V

D

V

L

V

F

E

I

I

D

D

G

G

H

R

F

P

V

V

Y

S

S

A

Q

F

R

G

S

C

D

D

G
|
G

L

V

I
x
L

V

V

S

S

T
|
T

P
|
P

T
|
T

G
|
G

S
|
S

T
|
T

A
|
A

Y
|
Y

S
x
A

L
x
F

S
|
S

A

A

G
|
G

P

P

I

V

M

L

H

W

P

P

K

D

L

L

D

E

A

A

I

I

V

L

L

V

V

V

P

P

M

N

F

N

P

A

H

H

T

A

L

L

S

F

S

G

R

R

P

P

I

M

V

V

V

T

D

S

G

P

K

E

S

A

E

T

I

I

K

A

L

I

V

E

I

I

G

-

E

E

T

A

N

D

E

G

T

H

Y

D

P

A

Q

L

I

V

S

F

F

C

D

D

G

G

Q

R

M

R

N

E

I

M

A

L

C

I

A

P

P

A

G

G

D

S

I

R

I

L

R

E

I

V

T

T

K

R

-

C

-

V

-

T

-

S

-

V

-

K

-

W

-

A

-

R

-

L

-

D

-

S

K

A

P

P

F

F

K

T

I

D

R

R

L

L

I

V

H

R

D85 (= D72) mutation to A: Abolishes catalytic activity.
N159 (= N146) mutation to A: Abolishes catalytic activity.
NE 159:160 (≠ ND 146:147) binding
E160 (≠ D147) 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

1y3iA Crystal structure of mycobacterium tuberculosis NAD kinase-NAD complex (see paper)
36% identity, 69% coverage: 70:271/294 of query aligns to 12:224/231 of 1y3iA

query
sites
1y3iA

G

G

D
|
D

G
|
G

S

T

L

F

L

L

G

R

A

A

R

E

E

L

L

A

A

R

K

N

S

A

K

S

I

I

P

P

L

V

L

L

G

G

V

V

N

N

R

L

G

G

R
|
R

L

I

G

G

F
|
F

L
|
L

T

A

D

E

I

A

S

E

P

A

S

E

D

A

L

I

E

D

E

A

R

V

L

L

G

E

K

H

V

V

L

V

E

A

G

Q

E

D

Y

Y

M

R

E

V

E

E

T

D

R

R

F

L

L

T

L

L

D

D

G

V

N

V

V

V

E

R

R

Q

N

G

G

G

Q

R

P

I

L

V

G

N

F

R

G

G

T

W

A

A

L

L

N
|
N

D
x
E

V

V

V

S

L

L

H

E

P

K

G

G

K

P

S

R

T

L

R

G

M

V

I

L

G

G

F

V

D

V

L

V

F

E

I

I

D

D

G

G

H

R

F

P

V

V

Y

S

S

A

Q

F

R

G

S

C

D

D

G

G

L

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

P

P

I

V

M

L

H

W

P

P

K

D

L

L

D

E

A

A

I

I

V

L

L

V

V

V

P

P

M

N

F

N

P

A

H

H

T

A

L

L

S

F

S

G

R

R

P

P

I

M

V

V

V

T

D

S

G

P

K

E

S

A

E

T

I

I

K

A

L

I

V

E

I

I

G

-

E

E

T

A

N

D

E

G

T

H

Y

D

P

A

Q

L

I

V

S

F

F

C

D

D

G

G

Q

R

M

R

N

E

I

M

A

L

C

I

A

P

P

A

G

G

D

S

I

R

I

L

R

E

I

V

T

T

K

R

-

C

-

V

-

T

-

S

-

V

-

K

-

W

-

A

-

R

-

L

-

D

-

S

K

A

P

P

F

F

K

T

I

D

R

R

L

L

I

V

H

R

binding nicotinamide-adenine-dinucleotide: D14 (= D72), G15 (= G73), R38 (= R96), F41 (= F99), L42 (= L100), N88 (= N146), E89 (≠ D147), T129 (= T187), A130 (= A188), Y131 (= Y189), S134 (= S192)

3afoA Crystal structure of yeast nadh kinase complexed with nadh
33% identity, 74% coverage: 30:246/294 of query aligns to 81:301/360 of 3afoA

query
sites
3afoA

I

I

T

S

N

Q

N

D

Y

F

H

K

V

S

I

P

L

L

E

E

E

N

D

D

T

P

A

N

S

R

M

-

L

-

P

-

G

P

H

H

G

I

L

L

Q

Y

V

T

A

G

S

P

K

E

K

Q

L

D

L

I

G

V

E

N

I

R

C

T

D

D

L

L

V

L

I

V

V

T

V

L

G

G

D
|
D

G
|
G

S

T

L

I

L
|
L

G

H

A

G

A

V

R

S

E

M

L

F

A

G

K

N

S

T

K

Q

I

V

P

P

-

P

L

V

L

L

G

A

V

F

N

A

R

L

G

G

R

T

L

L

G

G

F
|
F

L

L

T

-

D

-

I

-

S

S

P

P

S

F

D

D

L

F

E

K

E

E

R

H

-

K

-

V

L

F

G

Q

K

E

V

V

L

I

E

S

G

S

E

R

Y

A

M

K

E

C

E

L

T

H

R

R

F

T

L

R

L

L

D

E

G

C

N

H

V

L

E

K

R

K

N

K

G

D

Q

S

P

N

L

S

G

S

F

I

G

V

T

T

-

H

A

A

L

M

N
|
N

D
|
D

V

I

V

F

L

L

H

H

P

R

G

G

K

N

S

S

T

P

R

H

M

L

I

T

G

N

F

L

D

D

L

I

F

F

I

I

D

D

G

G

H

E

F

F

V

L

Y

T

S

R

Q

T

R

T

S

A

D

D

G

G

L

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

P

S

I

I

M

V

H

S

P

P

K

L

L

V

D

P

A

A

I

I

V

L

L

M

V

T

P

P

M

I

F

C

P

P

H

R

T

S

L

L

S

S

S

F

R

R

P

P

I

L

V

I

V

L

D

P

G

H

K

S

S

S

E

H

I

I

K

R

L

I

V

K

I

I

G

G

E

S

T

K

N

L

E

N

T

Q

Y

K

P

P

-

V

-

N

-

S

-

V

Q

K

I

L

S

S

F

V

D
|
D

G
|
G

binding 1,4-dihydronicotinamide adenine dinucleotide: D120 (= D72), G121 (= G73), L124 (= L76), F148 (= F99), N196 (= N146), D197 (= D147), T237 (= T187), A238 (= A188), Y239 (= Y189), S242 (= S192), D300 (= D245), G301 (= G246)

O13863 Uncharacterized kinase C1B1.02c; EC 2.7.1.- from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
27% identity, 87% coverage: 33:287/294 of query aligns to 239:511/537 of O13863

query
sites
O13863

N

N

Y

Q

H

F

V

V

I

I

L

Y

E

L

E

E

D

D

T

T

-

L

-

A

-

S

-

L

-

D

-

V

A

E

S

S

M

L

L

S

P

P

G

K

H

K

G

N

L

V

Q

R

V

F

A

W

S

T

K

S

K

E

L

L

L

C

G

T

E

Q

-

C

-

P

-

N

I

L

C

F

D

D

L

C

V

V

I

I

V

T

V

V

G

G

G

D

D

D

G

S

S

A

L

A

L

L

G

R

A

A

A

S

R

W

E

L

L

F

A

Q

K

D

S

V

K

V

I

P

P

P

L

V

L

L

G

S

V

F

N

S

R

T

G

A

R

K

L

A

G

G

F

F

L

L

T

S

D

I

I

L

S

P

P

I

S

A

D

E

L

Y

E

T

E

K

R

T

L

L

G

D

K

L

V

I

L

F

E

H

G

R

E

G

Y

F

M

T

E

V

E

N

T

L

R

R

F

M

L

R

L

F

D

Q

G

C

N

S

V

I

E

M

R

R

-

Y

-

V

-

G

-

E

-

H

-

S

-

T

-

H

-

I

-

C

N

E

G

G

Q

Q

P

-

L

-

G

-

F

-

G

Y

T

S

A

V

L

L

N

N

D

E

V

L

L

I

H

D

P

R

G

G

K

P

S

N

T

P

R

F

M

M

I

I

G

S

F

L

D

D

L

L

F

Y

I

V

D

E

G

N

H

E

F

Y

V

I

Y

T

S

T

Q

L

R

Q

S

S

D

D

G

G

L

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

P

S

I

L

M

C

H

H

P

P

K

G

L

I

D

P

A

A

I

I

V

L

L

I

V

S

P

A

M

I

F

C

P

P

H

H

T

S

L

L

S

S

S

F

R

R

P

P

I

I

V

I

V

L

D

P

G

D

K

S

S

M

E

T

I

L

K

R

L

I

V

V

I

V

G

P

E

L

T

D

N

A

E

R

T

S

Y

N

P

A

Q

W

I

C

S

A

F

F

D

D

G

G

Q

H

M

H

N

R

I

I

A

E

C

L

A

G

P

L

G

G

D

D

I

Y

I

I

R

S

I

I

T

S

K

A

K

S

-

S

-

F

P

P

F

F

K

P

I

S

R

V

L

I

I

R

H

S

P

K

T

Y

D

S

H

K

N

D

F

W

Y

F

A

D

T

I

C

L

R

R

D

Q

K

T

L

L

G

N

W

W

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)
34% identity, 64% coverage: 64:250/294 of query aligns to 41:222/249 of 1z0zA

query
sites
1z0zA

D

D

L

F

V

I

I

V

V

S

V

V

G

G

D

D

G

G

S

T

L

I

L

L

G

R

A

I

A

L

R

Q

E

K

L

L

A

K

K

R

S

C

K

P

I

-

P

P

L

I

L

F

G

G

V

I

N

N

R

T

G

G

R

R

L

V

G

G

F

L

L

L

T

T

D

H

I

A

S

S

P

P

S

E

D

N

L

F

E

E

E

V

R

E

L

L

G

K

K

K

V

A

L

V

E

E

G

K

E

-

Y

-

M

F

E
|
E

E

V

T

E

R

R

F

F

L

-

D

-

G

P

N

R

V

V

E

S

R
x
C

N

S

G

A

Q

M

P

P

L

D

G

V

F

L

G

-

T

-

A

A

L

L

N
|
N

D
x
E

V

I

V

A

L

V

H

L

P

S

G

R

K

K

S

P

T

A

R

K

M
|
M

I

I

G

D

F

V

D

A

L

L

F

R

I

V

D

D

G

G

H

V

F

E

V

V

Y

D

S

R

Q

I

R
|
R

S

C

D
|
D

G

G

L

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

P

P

I

V

M

V

H

E

P

P

K

Y

L

L

D

E

A

C

I

F

V

I

L

L

V

I

P

P

M

I

F

A

P

P

H
x
F

T

R

L

F

S

G

S

W

R

K

P

P

I

Y

V

V

D

S

G

M

K

E

S

R

E

K

I

I

K

E

L

V

V

I

I

A

G

E

E

K

T

A

-

I

-

V

N

A

E
x
D

T
x
G

Y

Q

P

K

Q

S

I

V

S

D

F

F

D

D

G

G

Q

E

M

I

N

T

I

I

active site: E96 (= E122), C105 (≠ R134)
binding nicotinamide-adenine-dinucleotide: N115 (= N146), E116 (≠ D147), M127 (= M158), R143 (= R174), D145 (= D176), T156 (= T187), Y158 (= Y189), S161 (= S192), F182 (≠ H213), D209 (≠ E237), G210 (≠ T238)

1z0sA Crystal structure of an NAD kinase from archaeoglobus fulgidus in complex with atp (see paper)
34% identity, 64% coverage: 64:250/294 of query aligns to 41:222/249 of 1z0sA

query
sites
1z0sA

D

D

L

F

V

I

I

V

V

S

V

V

G

G

G
|
G

D

D

G
|
G

S
x
T

L

I

L

L

G
x
R

A

I

A

L

R

Q

E

K

L

L

A

K

K

R

S

C

K

P

I

-

P

P

L

I

L

F

G

G

V

I

N

N

R

T

G

G

R
|
R

L

V

G

G

F

L

L

L

T

T

D

H

I

A

S

S

P

P

S

E

D

N

L

F

E

E

E

V

R

E

L

L

G

K

K

K

V

A

L

V

E

E

G

K

E

-

Y

-

M

F

E
|
E

E

V

T

E

R

R

F

F

L

-

D

-

G

P

N

R

V

V

E

S

R
x
C

N

S

G

A

Q

M

P

P

L

D

G

V

F

L

G

-

T

-

A

A

L

L

N
|
N

D
x
E

V

I

V

A

L

V

H

L

P

S

G

R

K

K

S

P

T
x
A

R
x
K

M
|
M

I

I

G

D

F

V

D

A

L

L

F

R

I

V

D

D

G

G

H

V

F

E

V

V

Y

D

S

R

Q

I

R

R

S

C

D
|
D

G

G

L

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

P

P

I

V

M

V

H

E

P

P

K

Y

L

L

D

E

A

C

I

F

V

I

L

L

V

I

P

P

M

I

F
x
A

P

P

H
x
F

T

R

L

F

S

G

S

W

R

K

P

P

I

Y

V

V

D

S

G

M

K

E

S

R

E

K

I

I

K

E

L

V

V

I

I

A

G

E

E

K

T

A

-

I

-

V

N

A

E
x
D

T

G

Y

Q

P

K

Q

S

I

V

S

D

F

F

D

D

G

G

Q

E

M

I

N

T

I

I

active site: E96 (= E122), C105 (≠ R134)
binding adenosine-5'-triphosphate: R54 (≠ G77), N115 (= N146), E116 (≠ D147), A125 (≠ T156), K126 (≠ R157), M127 (= M158), D145 (= D176), G157 (≠ A188), Y158 (= Y189), S161 (= S192), A180 (≠ F211), F182 (≠ H213), D209 (≠ E237)
binding pyrophosphate 2-: G48 (= G71), G50 (= G73), T51 (≠ S74), R54 (≠ G77), R72 (= R96)

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)
34% identity, 64% coverage: 64:250/294 of query aligns to 41:222/249 of 1suwA

query
sites
1suwA

D

D

L

F

V

I

I

V

V

S

V

V

G

G

G
|
G

D
|
D

G
|
G

S

T

L

I

L

L

G

R

A

I

A

L

R

Q

E

K

L

L

A

K

K

R

S

C

K

P

I

-

P

P

L

I

L

F

G

G

V

I

N

N

R

T

G

G

R

R

L

V

G

G

F

L

L

L

T

T

D

H

I

A

S

S

P

P

S

E

D

N

L

F

E

E

E

V

R

E

L

L

G

K

K

K

V

A

L

V

E

E

G

K

E

-

Y

-

M

F

E

E

E

V

T

E

R

R

F

F

L

-

D

-

G

P

N

R

V

V

E

S

R

C

N

S

G

A

Q

M

P

P

L

D

G

V

F

L

G

-

T

-

A

A

L

L

N
|
N

D
x
E

V

I

V

A

L

V

H

L

P

S

G

R

K

K

S

P

T
x
A

R

K

M
|
M

I

I

G

D

F

V

D

A

L

L

F

R

I

V

D

D

G

G

H

V

F

E

V

V

Y

D

S

R

Q

I

R
|
R

S

C

D
|
D

G

G

L

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

P

P

I

V

M

V

H

E

P

P

K

Y

L

L

D

E

A

C

I

F

V

I

L

L

V

I

P

P

M

I

F

A

P

P

H
x
F

T

R

L

F

S

G

S

W

R

K

P

P

I

Y

V

V

D

S

G

M

K

E

S

R

E

K

I

I

K

E

L

V

V

I

I

A

G

E

E

K

T

A

-

I

-

V

N

A

E
x
D

T
x
G

Y

Q

P

K

Q

S

I

V

S

D

F

F

D

D

G

G

Q

E

M

I

N

T

I

I

binding nadp nicotinamide-adenine-dinucleotide phosphate: G48 (= G71), D49 (= D72), G50 (= G73), N115 (= N146), E116 (≠ D147), A125 (≠ T156), M127 (= M158), R143 (= R174), D145 (= D176), T156 (= T187), Y158 (= Y189), S161 (= S192), F182 (≠ H213), D209 (≠ E237), G210 (≠ T238)

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)
34% identity, 64% coverage: 64:250/294 of query aligns to 41:222/249 of O30297

query
sites
O30297

D

D

L

F

V

I

I

V

V

S

V

V

G

G

D
|
D

G
|
G

S

T

L

I

L

L

G
x
R

A

I

A

L

R

Q

E

K

L

L

A

K

K

R

S

C

K

P

I

-

P

P

L

I

L

F

G

G

V

I

N

N

R

T

G

G

R

R

L

V

G

G

F

L

L

L

T

T

D

H

I

A

S

S

P

P

S

E

D

N

L

F

E

E

E

V

R

E

L

L

G

K

K

K

V

A

L

V

E

E

G

K

E

-

Y

-

M

F

E

E

E

V

T

E

R

R

F

F

L

-

D

-

G

P

N

R

V

V

E

S

R

C

N

S

G

A

Q

M

P

P

L

D

G

V

F

L

G

-

T

-

A

A

L

L

N
|
N

D
x
E

V

I

V

A

L

V

H

L

P

S

G

R

K

K

S

P

T

A

R
x
K

M

M

I

I

G

D

F

V

D

A

L

L

F

R

I

V

D

D

G

G

H

V

F

E

V

V

Y

D

S

R

Q

I

R
|
R

S

C

D

D

G

G

L

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

P

P

I

V

M

V

H

E

P

P

K

Y

L

L

D

E

A

C

I

F

V

I

L

L

V

I

P

P

M

I

F

A

P

P

H

F

T

R

L

F

S

G

S

W

R

K

P

P

I

Y

V

V

D

S

G

M

K

E

S

R

E

K

I

I

K

E

L

V

V

I

I

A

G

E

E

K

T

A

-

I

-

V

N

A

E

D

T

G

Y
x
Q

P

K

Q

S

I

V

S

D

F

F

D

D

G

G

Q

E

M

I

N

T

I

I

DG 49:50 (= DG 72:73) binding
R54 (≠ G77) binding
NE 115:116 (≠ ND 146:147) binding
K126 (≠ R157) binding
R143 (= R174) binding
I153 (≠ T184) binding
TGYAFS 156:161 (≠ TAYSLS 187:192) binding
Q211 (≠ Y239) 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: 62:287/294 of query aligns to 174:406/449 of Q9P7K3

query
sites
Q9P7K3

I

I

C

F

D

D

L

L

V

A

I

I

V

T

V

I

G

G

G

D

D

N

G

S

S

T

L

L

G

Y

A

T

A

S

R

W

E

L

L

F

A

Q

K

K

S

I

K

G

I

P

P

P

L

V

L

L

G

S

V

F

N

S

R

D

G

D

R

D

L

V

-

P

G

G

F

F

L

L

T

T

D

H

I

F

S

S

P

L

S

S

D

N

L

Y

E

Q

R

H

L

L

G

Y

K

Q

V

V

L

L

E

T

G

Q

E

N

-

V

-

S

-

L

-

R

Y

F

M

C

E

S

E

R

T

L

R

Q

F

C

L

S

L

F

D

H

G

K

N

Y

V

D

E

E

R

K

N

T

G

K

Q

Q

-

Y

P

S

L

L

G

A

F

S

G

T

T

T

-

Y

A

S

L

L

N

D

D

E

V

I

V

L

L

I

H

S

P

R

G

G

K

E

S

H

T

P

R

F

M

I

I

S

G

N

F

L

D

N

L

V

F

Y

I

N

D

N

G

S

H

E

F

L

V

M

Y

T

S

V

Q

V

R

Q

S

A

D

D

G

G

L

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

P

S

I

L

M

V

H

H

P

P

K

A

L

L

D

N

A

A

I

I

V

L

L

V

V

T

P

P

M

V

F

C

P

P

H

H

T

T

L

L

S

S

S

F

R

R

P

P

I

I

V

I

V

L

D

P

G

D

K

Y

S

N

E

V

I

L

K

N

L

V

V

E

I

I

G

P

E

L

T

D

N

S

E

R

T

S

Y

S

P

A

Q

F

I

F

S

S

F

V

D

D

G

R

Q

H

M

E

N

S

I

V

A

E

C

M

A

H

P

R

G

G

D

D

I

Y

I

L

R

S

I

I

T

V

K

T

K

S

P

H

F

Y

K

P

I

F

R

T

L

T

I

I

H

Q

P

N

T

P

D

G

H

Y

N

Q

F

W

Y

T

A

K

T

V

C

L

R

E

D

D

K

K

L

F

G

N

W

W

Sites not aligning to the query:

420 modified: Phosphoserine

6rbzA Crystal structure of NAD kinase 1 from listeria monocytogenes in complexe with an adenine derivative (see paper)
32% identity, 50% coverage: 64:210/294 of query aligns to 37:182/262 of 6rbzA

query
sites
6rbzA

D

E

L

I

V

V

I

I

V

S

V

I

G

G

D
|
D

G
|
G

S

T

L

F

L

L

G

S

A

A

A

F

R

H

E

Q

L

Y

A

E

K

E

-

R

-

L

S

D

K

E

I

I

P

A

L

F

L

I

G

G

V

I

N

H

R

T

G

G

R

H

L

L

G

G

F
|
F

L

Y

T

A

D

D

I

W

S

R

P

P

S

A

D

E

L

A

E

D

E

K

R

L

L

V

G

K

K

L

V

L

L

A

E

K

G

G

E

E

Y

Y

M

Q

E

K

E

V

T

S

R

Y

F

P

L

L

D

K

G

T

N

T

V

V

E

-

R

K

N

Y

G

G

Q

K

P

K

L

E

G

A

F

T

G

Y

T

L

A

A

L

L

N
|
N

D

E

V

S

V

T

L

V

H

K

P

S

G

S

K

G

S

G

T

P

R

F

M

V

I

V

G

-

F

-

D

D

L

V

F

V

I

I

D

N

G

D

H

I

F

H

V

F

Y

E

S

R

Q

F

R

R

S

G

D

D

G

G

L

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

P

A

I

L

M

M

H

H

P

P

K

S

L

I

D

E

A

A

I

M

V

Q

L

L

V

T

P

E

M

M

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

5dhuA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor (see paper)
32% identity, 50% coverage: 64:210/294 of query aligns to 37:183/263 of 5dhuA

query
sites
5dhuA

D

E

L

I

V

V

I

I

V

S

V

I

G

G

D

D

G

G

S

T

L

F

L

L

G

S

A

A

A

F

R

H

E

Q

L

Y

A

E

K

E

-

R

-

L

S

D

K

E

I

I

P

A

L

F

L

I

G

G

V

I

N

H

R

T

G

G

R

H

L

L

G

G

F

F

L

Y

T

A

D

D

I

W

S

R

P

P

S

A

D

E

L

A

E

D

E

K

R

L

L

V

G

K

K

L

V

L

L

A

E

K

G

G

E

E

Y

Y

M

Q

E

K

E

V

T

S

R

Y

F

P

L

L

D

K

G

T

N

T

V

V

E

K

R

Y

N

G

G

I

Q

K

P

K

L

E

G

A

F

T

G

Y

T

L

A

A

L

L

N

N

D
x
E

V

S

V

T

L

V

H

K

P

S

G

S

K

G

S
x
G

T
x
P

R

F

M

V

I

V

G

-

F

-

D

D

L

V

F

V

I

I

D

N

G

D

H

I

F

H

V

F

Y

E

S

R

Q

F

R
|
R

S
x
G

D
|
D

G

G

L

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

P

A

I

L

M

M

H

H

P

P

K

S

L

I

D

E

A

A

I

M

V

Q

L

L

V

T

P

E

M

M

binding 5'-azido-5'-deoxy-8-[(2-{[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine: E122 (≠ D147), G130 (≠ S155), P131 (≠ T156), R147 (= R174), G148 (≠ S175), D149 (= D176), Y162 (= Y189), S165 (= S192)

Sites not aligning to the query:

binding 5'-azido-5'-deoxy-8-[(2-{[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine: 184, 222

5dhtA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor (see paper)
32% identity, 50% coverage: 64:210/294 of query aligns to 37:183/263 of 5dhtA

query
sites
5dhtA

D

E

L

I

V

V

I

I

V

S

V

I

G

G

D

D

G

G

S

T

L

F

L

L

G

S

A

A

A

F

R

H

E

Q

L

Y

A

E

K

E

-

R

-

L

S

D

K

E

I

I

P

A

L

F

L

I

G

G

V

I

N

H

R

T

G

G

R

H

L

L

G

G

F

F

L

Y

T

A

D

D

I

W

S

R

P

P

S

A

D

E

L

A

E

D

E

K

R

L

L

V

G

K

K

L

V

L

L

A

E

K

G

G

E

E

Y

Y

M

Q

E

K

E

V

T

S

R

Y

F

P

L

L

D

K

G

T

N

T

V

V

E

K

R

Y

N

G

G

I

Q

K

P

K

L

E

G

A

F

T

G

Y

T

L

A

A

L

L

N
|
N

D
x
E

V

S

V

T

L

V

H

K

P

S

G

S

K

G

S

G

T
x
P

R

F

M

V

I

V

G

-

F

-

D

D

L

V

F

V

I

I

D

N

G

D

H

I

F

H

V

F

Y

E

S

R

Q

F

R

R

S
x
G

D
|
D

G

G

L

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

P

A

I

L

M

M

H

H

P

P

K

S

L

I

D

E

A

A

I

M

V

Q

L

L

V

T

P

E

M

M

binding 5'-azido-8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine: N121 (= N146), E122 (≠ D147), P131 (≠ T156), G148 (≠ S175), D149 (= D176), A161 (= A188), Y162 (= Y189), S165 (= S192)

Sites not aligning to the query:

binding 5'-azido-8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine: 184

5dhsA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor (see paper)
32% identity, 50% coverage: 64:210/294 of query aligns to 37:183/263 of 5dhsA

query
sites
5dhsA

D

E

L

I

V

V

I

I

V

S

V

I

G

G

D

D

G

G

S

T

L

F

L

L

G

S

A

A

A

F

R

H

E

Q

L

Y

A

E

K

E

-

R

-

L

S

D

K

E

I

I

P

A

L

F

L

I

G

G

V

I

N

H

R

T

G

G

R

H

L

L

G

G

F

F

L

Y

T

A

D

D

I

W

S

R

P

P

S

A

D

E

L

A

E

D

E

K

R

L

L

V

G

K

K

L

V

L

L

A

E

K

G

G

E

E

Y

Y

M

Q

E

K

E

V

T

S

R

Y

F

P

L

L

D

K

G

T

N

T

V

V

E

K

R

Y

N

G

G

I

Q

K

P

K

L

E

G

A

F

T

G

Y

T

L

A

A

L

L

N
|
N

D
x
E

V

S

V

T

L

V

H

K

P

S

G

S

K

G

S
x
G

T
x
P

R

F

M

V

I

V

G

-

F

-

D

D

L

V

F

V

I

I

D

N

G

D

H

I

F

H

V

F

Y

E

S

R

Q

F

R
|
R

S
x
G

D
|
D

G

G

L

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

P

A

I

L

M

M

H

H

P

P

K

S

L

I

D

E

A

A

I

M

V

Q

L

L

V

T

P

E

M

M

binding 5'-azido-5'-deoxy-8-[(2-{[2-(3-ethynylphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine: N121 (= N146), E122 (≠ D147), G130 (≠ S155), P131 (≠ T156), R147 (= R174), G148 (≠ S175), D149 (= D176), Y162 (= Y189), S165 (= S192)

Sites not aligning to the query:

binding 5'-azido-5'-deoxy-8-[(2-{[2-(3-ethynylphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine: 184, 222

5dhrA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor (see paper)
32% identity, 50% coverage: 64:210/294 of query aligns to 37:183/263 of 5dhrA

query
sites
5dhrA

D

E

L

I

V

V

I

I

V

S

V

I

G

G

D

D

G

G

S

T

L

F

L

L

G

S

A

A

A

F

R

H

E

Q

L

Y

A

E

K

E

-

R

-

L

S

D

K

E

I

I

P

A

L

F

L

I

G

G

V

I

N

H

R

T

G

G

R

H

L

L

G

G

F

F

L

Y

T

A

D

D

I

W

S

R

P

P

S

A

D

E

L

A

E

D

E

K

R

L

L

V

G

K

K

L

V

L

L

A

E

K

G

G

E

E

Y

Y

M

Q

E

K

E

V

T

S

R

Y

F

P

L

L

D

K

G

T

N

T

V

V

E

K

R

Y

N

G

G

I

Q

K

P

K

L

E

G

A

F

T

G

Y

T

L

A

A

L

L

N
|
N

D
x
E

V

S

V

T

L

V

H

K

P

S

G

S

K

G

S
x
G

T
x
P

R

F

M

V

I

V

G

-

F

-

D

D

L

V

F

V

I

I

D

N

G

D

H

I

F

H

V

F

Y

E

S

R

Q

F

R
|
R

S
x
G

D
|
D

G

G

L

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

P

A

I

L

M

M

H

H

P

P

K

S

L

I

D

E

A

A

I

M

V

Q

L

L

V

T

P

E

M

M

binding 5'-azido-8-[(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine: N121 (= N146), E122 (≠ D147), G130 (≠ S155), P131 (≠ T156), R147 (= R174), G148 (≠ S175), D149 (= D176), Y162 (= Y189), S165 (= S192)

Sites not aligning to the query:

binding 5'-azido-8-[(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine: 222

5dhqA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor (see paper)
32% identity, 50% coverage: 64:210/294 of query aligns to 37:183/263 of 5dhqA

query
sites
5dhqA

D

E

L

I

V

V

I

I

V

S

V

I

G

G

D

D

G

G

S

T

L

F

L

L

G

S

A

A

A

F

R

H

E

Q

L

Y

A

E

K

E

-

R

-

L

S

D

K

E

I

I

P

A

L

F

L

I

G

G

V

I

N

H

R

T

G

G

R

H

L

L

G

G

F

F

L

Y

T

A

D

D

I

W

S

R

P

P

S

A

D

E

L

A

E

D

E

K

R

L

L

V

G

K

K

L

V

L

L

A

E

K

G

G

E

E

Y

Y

M

Q

E

K

E

V

T

S

R

Y

F

P

L

L

D

K

G

T

N

T

V

V

E

K

R

Y

N

G

G

I

Q

K

P

K

L

E

G

A

F

T

G

Y

T

L

A

A

L

L

N
|
N

D
x
E

V

S

V

T

L

V

H

K

P

S

G

S

K

G

S
x
G

T
x
P

R

F

M

V

I

V

G

-

F

-

D

D

L

V

F

V

I

I

D

N

G

D

H

I

F

H

V

F

Y

E

S

R

Q

F

R
|
R

S
x
G

D
|
D

G

G

L

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

P

A

I

L

M

M

H

H

P

P

K

S

L

I

D

E

A

A

I

M

V

Q

L

L

V

T

P

E

M

M

binding 8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine: N121 (= N146), E122 (≠ D147), G130 (≠ S155), P131 (≠ T156), R147 (= R174), G148 (≠ S175), D149 (= D176), Y162 (= Y189), S165 (= S192)

Sites not aligning to the query:

binding 8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine: 222

5dhpA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor (see paper)
32% identity, 50% coverage: 64:210/294 of query aligns to 37:183/263 of 5dhpA

query
sites
5dhpA

D

E

L

I

V

V

I

I

V

S

V

I

G

G

D

D

G

G

S

T

L

F

L

L

G

S

A

A

A

F

R

H

E

Q

L

Y

A

E

K

E

-

R

-

L

S

D

K

E

I

I

P

A

L

F

L

I

G

G

V

I

N

H

R

T

G

G

R

H

L

L

G

G

F

F

L

Y

T

A

D

D

I

W

S

R

P

P

S

A

D

E

L

A

E

D

E

K

R

L

L

V

G

K

K

L

V

L

L

A

E

K

G

G

E

E

Y

Y

M

Q

E

K

E

V

T

S

R

Y

F

P

L

L

D

K

G

T

N

T

V

V

E

K

R

Y

N

G

G

I

Q

K

P

K

L

E

G

A

F

T

G

Y

T

L

A

A

L

L

N
|
N

D
x
E

V

S

V

T

L

V

H

K

P

S

G

S

K

G

S
x
G

T
x
P

R

F

M

V

I

V

G

-

F

-

D

D

L

V

F

V

I

I

D

N

G

D

H

I

F

H

V

F

Y

E

S

R

Q

F

R

R

S

G

D
|
D

G

G

L

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

P

A

I

L

M

M

H

H

P

P

K

S

L

I

D

E

A

A

I

M

V

Q

L

L

V

T

P

E

M

M

binding 8-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)adenosine: N121 (= N146), E122 (≠ D147), G130 (≠ S155), P131 (≠ T156), D149 (= D176), Y162 (= Y189), S165 (= S192)

Sites not aligning to the query:

binding 8-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)adenosine: 222

4dy6A Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with 2'-phosphate bis(adenosine)-5'-diphosphate (see paper)
32% identity, 50% coverage: 64:210/294 of query aligns to 37:179/258 of 4dy6A

query
sites
4dy6A

D

E

L

I

V

V

I

I

V

S

V

I

G

G

D
|
D

G
|
G

S

T

L

F

L

L

G

S

A

A

A

F

R

H

E

Q

L

Y

A

E

K

E

-

R

-

L

S

D

K

E

I

I

P

A

L

F

L

I

G

G

V

I

N

H

R

T

G

G

R
x
H

L

L

G

G

F
|
F

L

Y

T

A

D

D

I

W

S

R

P

P

S

A

D

E

L

A

E

D

E

K

R

L

L

V

G

K

K

L

V

L

L

A

E

K

G

G

E

E

Y

Y

M

Q

E

K

E

V

T

S

R

Y

F

P

L

L

D

K

G

T

N

T

V

V

E

K

R

Y

N

E

G

A

Q

T

P

Y

L

L

G

-

F

-

G

-

T

-

A

A

L

L

N
|
N

D
x
E

V

S

V

T

L

V

H

K

P

S

G

S

K

G

S

G

T

P

R

F

M

V

I

V

G

-

F

-

D

D

L

V

F

V

I

I

D

N

G

D

H

I

F

H

V

F

Y

E

S

R

Q

F

R

R

S

G

D

D

G

G

L

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

P

A

I

L

M

M

H

H

P

P

K

S

L

I

D

E

A

A

I

M

V

Q

L

L

V

T

P

E

M

M

binding [(2r,3s,4r,5r)-5-(6-amino-9h-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl[(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate: D45 (= D72), G46 (= G73), H71 (≠ R96), F74 (= F99), N117 (= N146), E118 (≠ D147), T156 (= T187), A157 (= A188), Y158 (= Y189), S161 (= S192)

6rgeA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with an inhibitor
32% identity, 50% coverage: 64:210/294 of query aligns to 37:179/259 of 6rgeA

query
sites
6rgeA

D

E

L

I

V

V

I

I

V

S

V

I

G

G

G
|
G

D
|
D

G
|
G

S

T

L

F

L
|
L

G

S

A

A

A

F

R

H

E

Q

L

Y

A

E

K

E

-

R

-

L

S

D

K

E

I

I

P

A

L

F

L

I

G

G

V

I

N

H

R

T

G

G

R
x
H

L

L

G

G

F
|
F

L

Y

T

A

D

D

I

W

S

R

P

P

S

A

D

E

L

A

E

D

E

K

R

L

L

V

G

K

K

L

V

L

L

A

E

K

G

G

E

E

Y

Y

M

Q

E

K

E

V

T

S

R

Y

F

P

L

L

D

K

G

T

N

T

V

V

E

K

R

Y

N

E

G

A

Q

T

P

Y

L

L

G

-

F

-

G

-

T

-

A

A

L

L

N
|
N

D
x
E

V

S

V

T

L

V

H

K

P

S

G

S

K

G

S

G

T

P

R

F

M

V

I

V

G

-

F

-

D

D

L

V

F

V

I

I

D

N

G

D

H

I

F

H

V

F

Y

E

S

R

Q

F

R

R

S

G

D

D

G

G

L

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

P

A

I

L

M

M

H

H

P

P

K

S

L

I

D

E

A

A

I

M

V

Q

L

L

V

T

P

E

M

M

binding [(2~{R},3~{R},4~{R},5~{R})-2-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl] dihydrogen phosphate: G44 (= G71), D45 (= D72), G46 (= G73), L49 (= L76), H71 (≠ R96), F74 (= F99), N117 (= N146), E118 (≠ D147), T156 (= T187), A157 (= A188), Y158 (= Y189), S161 (= S192)

Query Sequence

>GFF1082 FitnessBrowser__Marino:GFF1082
MDQFRNIGVIGRMGSVKVVESLRQLKQYLITNNYHVILEEDTASMLPGHGLQVASKKLLG
EICDLVIVVGGDGSLLGAARELAKSKIPLLGVNRGRLGFLTDISPSDLEERLGKVLEGEY
MEETRFLLDGNVERNGQPLGFGTALNDVVLHPGKSTRMIGFDLFIDGHFVYSQRSDGLIV
STPTGSTAYSLSAGGPIMHPKLDAIVLVPMFPHTLSSRPIVVDGKSEIKLVIGETNETYP
QISFDGQMNIACAPGDIIRITKKPFKIRLIHPTDHNFYATCRDKLGWASEISAS

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