SitesBLAST

R175 (≠ K174) 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)
38% identity, 68% coverage: 63:262/296 of query aligns to 76:274/307 of P9WHV7

query
sites
P9WHV7

C

C

D

E

M

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

A

L

L

A

A

R

R

N

H

A

N

S

I

I

P

P

V

V

L

L

G

G

I

V

N

N

R

L

G

G

S

R

L

I

G

G

F

F

L

L

T

A

D

E

I

A

R

E

P

A

D

E

E

A

L

I

E

D

T

A

K

V

V

L

A

E

E

H

V

V

L

V

D

A

G

Q

H

D

Y

Y

L

R

V

V

E

E

N

D

R

R

F

L

L

T

L

L

Q

D

A

V

E

V

V

V

R

R

R

Q

H

G

A

G

E

R

A

I

I

V

G

N

Q

R

G

G

D

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

E

G

F

V

E

V

L

V

Y

E

I

I

D

D

G

G

Q

R

F

P

V

V

C

S

S

A

Q

F

K

G

A

C

D

D

G
|
G

L

V

I
x
L

V

V

A

S

T
|
T

P
|
P

T
|
T

G
|
G

S
|
S

T
|
T

A
|
A

Y
|
Y

A
|
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

I

V

V

V

P

P

M

N

Y

N

P

A

H

H

T

A

L

L

S

F

G

G

R

R

P

P

I

M

V

V

V

T

D

S

G

P

N

E

S

A

E

T

L

I

K

A

I

I

V

E

V

I

S

E

K

A

D

D

M

G

Q

H

I

-

Y

D

P

A

Q

L

V

V

S

F

C

C

D

D

G

G

Q

R

N

R

H

E

F

M

T

L

C

I

A

P

P

A

G

G

D

S

T

R

I

L

T

E

V

V

S

T

K

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 (≠ TAYALS 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)
37% identity, 67% coverage: 70:268/296 of query aligns to 12:209/231 of 1y3iA

query
sites
1y3iA

G

G

D
|
D

G
|
G

S

T

L

F

L

L

G

R

A

A

R

E

A

L

L

A

A

R

R

N

H

A

N

S

I

I

P

P

V

V

L

L

G

G

I

V

N

N

R

L

G

G

S
x
R

L

I

G

G

F
|
F

L
|
L

T

A

D

E

I

A

R

E

P

A

D

E

E

A

L

I

E

D

T

A

K

V

V

L

A

E

E

H

V

V

L

V

D

A

G

Q

H

D

Y

Y

L

R

V

V

E

E

N

D

R

R

F

L

L

T

L

L

Q

D

A

V

E

V

V

V

R

R

R

Q

H

G

A

G

E

R

A

I

I

V

G

N

Q

R

G

G

D

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

E

G

F

V

E

V

L

V

Y

E

I

I

D

D

G

G

Q

R

F

P

V

V

C

S

S

A

Q

F

K

G

A

C

D

D

G

G

L

V

I

L

V

V

A

S

T

T

P

P

T

T

G

G

S

S

T
|
T

A
|
A

Y
|
Y

A

A

L

F

S
|
S

A

A

G

G

P

P

I

V

M

L

H

W

P

P

K

D

L

L

D

E

A

A

I

I

V

L

I

V

V

V

P

P

M

N

Y

N

P

A

H

H

T

A

L

L

S

F

G

G

R

R

P

P

I

M

V

V

V

T

D

S

G

P

N

E

S

A

E

T

L

I

K

A

I

I

V

E

V

I

S

E

K

A

D

D

M

G

Q

H

I

-

Y

D

P

A

Q

L

V

V

S

F

C

C

D

D

G

G

Q

R

N

R

H

E

F

M

T

L

C

I

A

P

P

A

G

G

D

S

T

R

I

L

T

E

V

V

S

T

K

R

K

C

A

V

Q

T

K

S

L

V

R

K

binding nicotinamide-adenine-dinucleotide: D14 (= D72), G15 (= G73), R38 (≠ S96), F41 (= F99), L42 (= L100), N88 (= N146), E89 (≠ D147), T129 (= T187), A130 (= A188), Y131 (= Y189), S134 (= S192)

O13863 Uncharacterized kinase C1B1.02c; EC 2.7.1.- from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
29% identity, 90% coverage: 28:292/296 of query aligns to 235:516/537 of O13863

query
sites
O13863

F

F

L

T

L

P

E

K

R

N

H

Q

L

F

H

V

V

I

I

Y

L

L

E

E

D

D

T

T

I

L

A

A

-

S

-

L

E

D

V

V

L

V

P

E

G

S

H

L

G

S

L

P

Q

K

T

K

S

N

S

V

R

R

K

F

M

W

L

T

G

S

E

E

V

L

C

C

-

T

-

Q

-

C

-

P

-

N

-

L

-

F

D

D

M

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

A

L

L

F

A

Q

R

D

H

V

N

V

I

P

P

P

V

V

L

L

G

S

I

F

N

S

R

T

G

A

S

K

L

A

G

G

F

F

L

L

T

S

D

I

I

L

R

P

P

I

D

A

E

E

L

Y

E

T

T

K

K

T

V

L

A

D

E

L

V

I

L

F

D

H

G

R

H

G

Y

F

L

T

V

V

E

N

N

L

R

R

F

M

L

R

L

F

Q

Q

A

C

E

S

V

I

R

M

R

R

-

Y

-

V

-

G

-

E

H

H

A

S

E

T

A

H

I

I

-

C

-

E

G

G

Q

Q

G

Y

D

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

E

S

F

L

E

D

L

L

Y

Y

I

V

D

E

G

N

Q

E

F

Y

V

I

C

T

S

T

Q

L

K

Q

A

S

D

D

G

G

L

V

I

C

V

V

A

S

T

T

P

P

T

T

G

G

S

S

T

T

A

A

Y

Y

A

S

L

V

S

A

A

A

G

G

P

S

I

L

M

C

H

H

P

P

K

G

L

I

D

P

A

A

I

I

V

L

I

I

V

S

P

A

M

I

Y

C

P

P

H

H

T

S

L

L

S

S

G

F

R

R

P

P

I

I

V

I

V

L

D

P

G

D

N

S

S

M

E

T

L

L

K

R

I

I

V

V

S

P

K

L

D

D

M

A

Q

R

I

S

Y

N

P

A

Q

W

V

C

S

A

C

F

D

D

G

G

Q

H

N

H

H

R

F

I

T

E

C

L

A

G

P

L

G

G

D

D

T

Y

I

I

T

S

V

I

S

S

K

A

K

S

A

S

Q

F

K

P

L

F

R

P

L

S

I

V

-

I

-

R

H

S

P

K

L

Y

D

S

H

K

N

D

Y

W

Y

F

E

D

V

I

C

L

R

R

T

Q

K

T

L

L

G

N

W

W

G

N

S

D

R

R

L

K

G

G

Sites not aligning to the query:

72 modified: Phosphoserine

3afoA Crystal structure of yeast nadh kinase complexed with nadh
30% identity, 81% coverage: 49:287/296 of query aligns to 97:342/360 of 3afoA

query
sites
3afoA

H

H

G

I

L

L

Q

Y

T

T

S

G

S

P

R

E

K

Q

M

D

L

I

G

V

E

N

V

R

C

T

D

D

M

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

A

M

L

F

A

G

R

N

H

T

N

Q

I

V

P

P

-

P

V

V

L

L

G

A

I

F

N

A

R

L

G

G

S

T

L

L

G

G

F
|
F

L

L

T

S

D

P

I

F

R

D

P

F

D

K

E

E

L

H

E

K

T

K

K

V

V

F

A

Q

E

E

V

V

L

I

D

S

G

S

H

R

Y

A

L

K

V

C

E

L

N

H

R

R

F

T

L

R

L

L

Q

E

A

C

E

H

V

L

R

K

H

K

-

D

A

S

E

N

A

S

I

S

G

I

Q

V

G

T

D

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

E

N

F

L

E

D

L

I

Y

F

I

I

D

D

G

G

Q

E

F

F

V

L

C

T

S

R

Q

T

K

T

A

A

D

D

G

G

L

V

I

A

V

L

A

A

T

T

P

P

T

T

G

G

S

S

T
|
T

A
|
A

Y
|
Y

A

S

L

L

S
|
S

A

A

G

G

P

S

I

I

M

V

H

S

P

P

K

L

L

V

D

P

A

A

I

I

V

L

I

M

V

T

P

P

M

I

Y

C

P

P

H

R

T

S

L

L

S

S

G

F

R

R

P

P

I

L

V

I

V

L

D

P

G

H

N

S

S

S

E

H

L

I

K

R

I

I

V

K

V

I

S

G

K

S

D

K

M

L

Q

N

I

Q

Y

K

P

P

-

V

-

N

-

S

-

V

Q

K

V

L

S

S

C

V

D
|
D

G
|
G

Q

I

N

P

H

Q

F

Q

T

D

C

L

A

D

P

V

G

G

D

D

T

E

I

I

T

Y

V

V

S

I

K

N

K

E

A

V

Q

G

K

T

L

I

R

Y

L

I

I

D

H

G

P

T

L

K

D

R

H

S

N

G

Y

I

Y

Y

E

C

V

V

C

A

R

K

T

T

K

E

L

N

G

D

W

W

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)

1z0zA Crystal structure of a NAD kinase from archaeoglobus fulgidus in complex with NAD (see paper)
32% identity, 64% coverage: 61:248/296 of query aligns to 38:212/249 of 1z0zA

query
sites
1z0zA

E

E

V

N

C

F

D

D

M

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

A

K

L

L

A

K

R

R

H

C

N

P

I

-

P

P

V

I

L

F

G

G

I

I

N

N

R

T

G

G

S

R

L

V

G

G

F

L

L

L

T

T

D

H

I

A

R

S

P

P

D

E

E

N

L

F

E

E

T

V

K

E

V

L

A

K

E

K

V

A

L

V

D

E

G

-

H

-

Y

-

L

-

V

-

E

-

N

-

R

K

F

F

L
x
E

L

V

Q

E

A

R

E

F

V

P

R

R

R

V

H

S

A
x
C

E

S

A

A

I

M

G

P

Q

D

G

V

D

L

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

E

D

F

V

E

A

L

L

Y

R

I

V

D

D

G

G

Q

V

F

E

V

V

C

D

S

R

Q

I

K
x
R

A

C

D
|
D

G

G

L

F

I

I

V

V

A

A

T

T

P

Q

T

I

G

G

S

S

T
|
T

A

G

Y
|
Y

A

A

L

F

S
|
S

A

A

G

G

P

P

I

V

M

V

H

E

P

P

K

Y

L

L

D

E

A

C

I

F

V

I

I

L

V

I

P

P

M

I

Y

A

P

P

H
x
F

T

R

L

F

S

G

G

W

R

K

P

P

I

Y

V

V

D

S

G

M

N

E

S

R

E

K

L

I

K

E

I

V

V

I

V

A

S

E

K

K

D

A

M

I

Q

-

I

-

Y

-

P

-

Q

-

V

V

S

V

C

A

D
|
D

G
|
G

Q

Q

N

K

active site: E96 (≠ L127), C105 (≠ A136)
binding nicotinamide-adenine-dinucleotide: N115 (= N146), E116 (≠ D147), M127 (= M158), R143 (≠ K174), D145 (= D176), T156 (= T187), Y158 (= Y189), S161 (= S192), F182 (≠ H213), D209 (= D245), G210 (= G246)

1z0sA Crystal structure of an NAD kinase from archaeoglobus fulgidus in complex with atp (see paper)
32% identity, 64% coverage: 61:248/296 of query aligns to 38:212/249 of 1z0sA

query
sites
1z0sA

E

E

V

N

C

F

D

D

M

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

A

K

L

L

A

K

R

R

H

C

N

P

I

-

P

P

V

I

L

F

G

G

I

I

N

N

R

T

G

G

S
x
R

L

V

G

G

F

L

L

L

T

T

D

H

I

A

R

S

P

P

D

E

E

N

L

F

E

E

T

V

K

E

V

L

A

K

E

K

V

A

L

V

D

E

G

-

H

-

Y

-

L

-

V

-

E

-

N

-

R

K

F

F

L
x
E

L

V

Q

E

A

R

E

F

V

P

R

R

R

V

H

S

A
x
C

E

S

A

A

I

M

G

P

Q

D

G

V

D

L

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

E

D

F

V

E

A

L

L

Y

R

I

V

D

D

G

G

Q

V

F

E

V

V

C

D

S

R

Q

I

K

R

A

C

D
|
D

G

G

L

F

I

I

V

V

A

A

T

T

P

Q

T

I

G

G

S

S

T

T

A
x
G

Y
|
Y

A

A

L

F

S
|
S

A

A

G

G

P

P

I

V

M

V

H

E

P

P

K

Y

L

L

D

E

A

C

I

F

V

I

I

L

V

I

P

P

M

I

Y
x
A

P

P

H
x
F

T

R

L

F

S

G

G

W

R

K

P

P

I

Y

V

V

D

S

G

M

N

E

S

R

E

K

L

I

K

E

I

V

V

I

V

A

S

E

K

K

D

A

M

I

Q

-

I

-

Y

-

P

-

Q

-

V

V

S

V

C

A

D
|
D

G

G

Q

Q

N

K

active site: E96 (≠ L127), C105 (≠ A136)
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 (≠ Y211), F182 (≠ H213), D209 (= D245)
binding pyrophosphate 2-: G48 (= G71), G50 (= G73), T51 (≠ S74), R54 (≠ G77), R72 (≠ S96)

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)
32% identity, 64% coverage: 61:248/296 of query aligns to 38:212/249 of 1suwA

query
sites
1suwA

E

E

V

N

C

F

D

D

M

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

A

K

L

L

A

K

R

R

H

C

N

P

I

-

P

P

V

I

L

F

G

G

I

I

N

N

R

T

G

G

S

R

L

V

G

G

F

L

L

L

T

T

D

H

I

A

R

S

P

P

D

E

E

N

L

F

E

E

T

V

K

E

V

L

A

K

E

K

V

A

L

V

D

E

G

-

H

-

Y

-

L

-

V

-

E

-

N

-

R

K

F

F

L

E

L

V

Q

E

A

R

E

F

V

P

R

R

R

V

H

S

A

C

E

S

A

A

I

M

G

P

Q

D

G

V

D

L

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

E

D

F

V

E

A

L

L

Y

R

I

V

D

D

G

G

Q

V

F

E

V

V

C

D

S

R

Q

I

K
x
R

A

C

D
|
D

G

G

L

F

I

I

V

V

A

A

T

T

P

Q

T

I

G

G

S

S

T
|
T

A

G

Y
|
Y

A

A

L

F

S
|
S

A

A

G

G

P

P

I

V

M

V

H

E

P

P

K

Y

L

L

D

E

A

C

I

F

V

I

I

L

V

I

P

P

M

I

Y

A

P

P

H
x
F

T

R

L

F

S

G

G

W

R

K

P

P

I

Y

V

V

D

S

G

M

N

E

S

R

E

K

L

I

K

E

I

V

V

I

V

A

S

E

K

K

D

A

M

I

Q

-

I

-

Y

-

P

-

Q

-

V

V

S

V

C

A

D
|
D

G
|
G

Q

Q

N

K

binding nadp nicotinamide-adenine-dinucleotide phosphate: G48 (= G71), D49 (= D72), G50 (= G73), N115 (= N146), E116 (≠ D147), A125 (≠ T156), M127 (= M158), R143 (≠ K174), D145 (= D176), T156 (= T187), Y158 (= Y189), S161 (= S192), F182 (≠ H213), D209 (= D245), G210 (= G246)

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)
32% identity, 64% coverage: 61:248/296 of query aligns to 38:212/249 of O30297

query
sites
O30297

E

E

V

N

C

F

D

D

M

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

A

K

L

L

A

K

R

R

H

C

N

P

I

-

P

P

V

I

L

F

G

G

I

I

N

N

R

T

G

G

S

R

L

V

G

G

F

L

L

L

T

T

D

H

I

A

R

S

P

P

D

E

E

N

L

F

E

E

T

V

K

E

V

L

A

K

E

K

V

A

L

V

D

E

G

-

H

-

Y

-

L

-

V

-

E

-

N

-

R

K

F

F

L

E

L

V

Q

E

A

R

E

F

V

P

R

R

R

V

H

S

A

C

E

S

A

A

I

M

G

P

Q

D

G

V

D

L

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

E

D

F

V

E

A

L

L

Y

R

I

V

D

D

G

G

Q

V

F

E

V

V

C

D

S

R

Q

I

K
x
R

A

C

D

D

G

G

L

F

I

I

V

V

A

A

T

T

P

Q

T
x
I

G

G

S

S

T
|
T

A
x
G

Y
|
Y

A
|
A

L
x
F

S
|
S

A

A

G

G

P

P

I

V

M

V

H

E

P

P

K

Y

L

L

D

E

A

C

I

F

V

I

I

L

V

I

P

P

M

I

Y

A

P

P

H

F

T

R

L

F

S

G

G

W

R

K

P

P

I

Y

V

V

D

S

G

M

N

E

S

R

E

K

L

I

K

E

I

V

V

I

V

A

S

E

K

K

D

A

M

I

Q

-

I

-

Y

-

P

-

Q

-

V

V

S

V

C

A

D

D

G

G

Q
|
Q

N

K

DG 49:50 (= DG 72:73) binding
R54 (≠ G77) binding
NE 115:116 (≠ ND 146:147) binding
K126 (≠ R157) binding
R143 (≠ K174) binding
I153 (≠ T184) binding
TGYAFS 156:161 (≠ TAYALS 187:192) binding
Q211 (= Q247) 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: 62:290/296 of query aligns to 174:409/449 of Q9P7K3

query
sites
Q9P7K3

V

I

C

F

D

D

M

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

A

L

L

F

A

Q

R

K

H

I

N

G

I

P

P

P

V

V

L

L

G

S

I

F

N

S

R

D

G

D

S

D

L

V

-

P

G

G

F

F

L

L

T

T

D

H

I

F

R

S

P

L

D

S

E

N

L

Y

E

Q

T

Q

K

H

V

L

A

Y

E

Q

V

V

L

L

D

T

G

Q

H

N

Y

-

L

-

V

V

E

S

N

L

R

R

F

F

L

C

-

S

-

R

L

L

Q

Q

A

C

E

S

V

F

R

H

R

K

H

Y

A

D

E

E

A

K

I

T

G

K

Q

Q

G

Y

D

S

-

L

-

A

-

S

-

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

E

N

F

L

E

N

L

V

Y

Y

I

N

D

N

G

S

Q

E

F

L

V

M

C

T

S

V

Q

V

K

Q

A

A

D

D

G

G

L

L

I

V

V

V

A

A

T

T

P

P

T

T

G

G

S

S

T

T

A

N

Y

I

A

S

L

A

S

N

A

A

G

G

P

S

I

L

M

V

H

H

P

P

K

A

L

L

D

N

A

A

I

I

V

L

I

V

V

T

P

P

M

V

Y

C

P

P

H

H

T

T

L

L

S

S

G

F

R

R

P

P

I

I

V

I

V

L

D

P

G

D

N

Y

S

N

E

V

L

L

K

N

I

V

V

E

V

I

S

P

K

L

D

D

M

S

Q

R

I

S

Y

S

P

A

Q

F

V

F

S

S

C

V

D

D

G

R

Q

H

N

E

H

S

F

V

T

E

C

M

A

H

P

R

G

G

D

D

T

Y

I

L

T

S

V

I

S

V

K

T

K

S

A

H

Q

Y

K

P

L

F

R

T

L

T

I

I

H

Q

P

N

L

P

D

G

H

Y

N

Q

Y

W

Y

T

E

K

V

V

C

L

R

E

T

D

K

K

L

F

G

N

W

W

G

N

S

V

R

R

Sites not aligning to the query:

420 modified: Phosphoserine

6rc0A Crystal structure of NAD kinase 1 from listeria monocytogenes in complexe with an adenine derivative (see paper)
31% identity, 59% coverage: 64:238/296 of query aligns to 37:216/261 of 6rc0A

query
sites
6rc0A

D

E

M

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

A

Q

L

Y

A

E

R

E

H

R

-

L

-

D

N

E

I

I

P

A

V

F

L

I

G

G

I

I

N

H

R

T

G

G

S

H

L

L

G

G

F
|
F

L

Y

T

A

D

D

I

W

R

R

P

P

D

A

E

E

L

A

E

D

T

K

K

L

V

V

A

K

E

L

V

L

L

A

D

K

G

G

H

E

Y

Y

L

Q

V

K

E

V

N

S

R

Y

F

P

L

L

Q

K

A

T

E

T

V

V

R

K

R

Y

H

K

A

K

E

E

A

A

I

T

G

Y

Q

L

G

-

D

-

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

E

D

F

-

E

-

L

V

Y

V

I

I

D

N

G

D

Q

I

F

H

V

F

C

E

S

R

Q

F

K

R

A

G

D

D

G

G

L

L

I

C

V

M

A

S

T

T

P

P

T

S

G

G

S

T

T
|
T

A
|
A

Y

Y

A

N

L

K

S

S

A

L

G

G

P

A

I

L

M

M

H

H

P

P

K

S

L

I

D

E

A

A

I

M

V

Q

I

L

V

T

P

E

M

M

Y

A

P

S

-

I

-

N

-

R

-

V

H

Y

T

R

L

T

S

I

G

G

R

S

P

P

I

L

V

V

V

F

D

P

G

K

N

H

S

H

-

V

E

S

L

L

K

Q

I

P

V

V

V

N

S

D

K

K

D

D

M

F

Q

Q

I

I

binding 8-bromanyl-9-[(2~{R})-oxan-2-yl]purin-6-amine: D45 (= D72), G46 (= G73), F74 (= F99), N119 (= N146), T158 (= T187), A159 (= A188)

4dy6A Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with 2'-phosphate bis(adenosine)-5'-diphosphate (see paper)
30% identity, 59% coverage: 64:238/296 of query aligns to 37:214/258 of 4dy6A

query
sites
4dy6A

D

E

M

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

A

Q

L

Y

A

E

R

E

H

R

-

L

-

D

N

E

I

I

P

A

V

F

L

I

G

G

I

I

N

H

R

T

G

G

S
x
H

L

L

G

G

F
|
F

L

Y

T

A

D

D

I

W

R

R

P

P

D

A

E

E

L

A

E

D

T

K

K

L

V

V

A

K

E

L

V

L

L

A

D

K

G

G

H

E

Y

Y

L

Q

V

K

E

V

N

S

R

Y

F

P

L

L

Q

K

A

T

E

T

V

V

R

K

R

Y

H

E

A

A

E

T

A

Y

I

L

G

-

Q

-

G

-

D

-

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

E

D

F

-

E

-

L

V

Y

V

I

I

D

N

G

D

Q

I

F

H

V

F

C

E

S

R

Q

F

K

R

A

G

D

D

G

G

L

L

I

C

V

M

A

S

T

T

P

P

T

S

G

G

S

T

T
|
T

A
|
A

Y
|
Y

A

N

L

K

S
|
S

A

L

G

G

P

A

I

L

M

M

H

H

P

P

K

S

L

I

D

E

A

A

I

M

V

Q

I

L

V

T

P

E

M

M

Y

A

P

S

-

I

-

N

-

R

-

V

H

Y

T

R

L

T

S

I

G

G

R

S

P

P

I

L

V

V

V

F

D

P

G

K

N

H

S

H

-

V

E

S

L

L

K

Q

I

P

V

V

V

N

S

D

K

K

D

D

M

F

Q

Q

I

I

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 (≠ S96), 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
30% identity, 59% coverage: 64:238/296 of query aligns to 37:214/259 of 6rgeA

query
sites
6rgeA

D

E

M

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

A

Q

L

Y

A

E

R

E

H

R

-

L

-

D

N

E

I

I

P

A

V

F

L

I

G

G

I

I

N

H

R

T

G

G

S
x
H

L

L

G

G

F
|
F

L

Y

T

A

D

D

I

W

R

R

P

P

D

A

E

E

L

A

E

D

T

K

K

L

V

V

A

K

E

L

V

L

L

A

D

K

G

G

H

E

Y

Y

L

Q

V

K

E

V

N

S

R

Y

F

P

L

L

Q

K

A

T

E

T

V

V

R

K

R

Y

H

E

A

A

E

T

A

Y

I

L

G

-

Q

-

G

-

D

-

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

E

D

F

-

E

-

L

V

Y

V

I

I

D

N

G

D

Q

I

F

H

V

F

C

E

S

R

Q

F

K

R

A

G

D

D

G

G

L

L

I

C

V

M

A

S

T

T

P

P

T

S

G

G

S

T

T
|
T

A
|
A

Y
|
Y

A

N

L

K

S
|
S

A

L

G

G

P

A

I

L

M

M

H

H

P

P

K

S

L

I

D

E

A

A

I

M

V

Q

I

L

V

T

P

E

M

M

Y

A

P

S

-

I

-

N

-

R

-

V

H

Y

T

R

L

T

S

I

G

G

R

S

P

P

I

L

V

V

V

F

D

P

G

K

N

H

S

H

-

V

E

S

L

L

K

Q

I

P

V

V

V

N

S

D

K

K

D

D

M

F

Q

Q

I

I

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 (≠ S96), F74 (= F99), N117 (= N146), E118 (≠ D147), T156 (= T187), A157 (= A188), Y158 (= Y189), S161 (= S192)

6rgcA Crystal structure of NAD kinase 1 from listeria monocytogenes in complexe with an inhibitor (see paper)
30% identity, 59% coverage: 64:238/296 of query aligns to 37:214/259 of 6rgcA

query
sites
6rgcA

D

E

M

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

A

Q

L

Y

A

E

R

E

H

R

-

L

-

D

N

E

I

I

P

A

V

F

L

I

G

G

I

I

N

H

R

T

G

G

S

H

L
|
L

G

G

F
|
F

L

Y

T

A

D

D

I

W

R

R

P

P

D

A

E

E

L

A

E

D

T

K

K

L

V

V

A

K

E

L

V

L

L

A

D

K

G

G

H

E

Y

Y

L

Q

V

K

E

V

N

S

R

Y

F

P

L

L

Q

K

A

T

E

T

V

V

R

K

R

Y

H

E

A

A

E

T

A

Y

I

L

G

-

Q

-

G

-

D

-

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

E

D

F

-

E

-

L

V

Y

V

I

I

D

N

G

D

Q

I

F

H

V

F

C

E

S

R

Q

F

K

R

A

G

D

D

G

G

L

L

I

C

V

M

A

S

T

T

P

P

T

S

G

G

S

T

T
|
T

A
|
A

Y
|
Y

A

N

L

K

S
|
S

A

L

G

G

P

A

I

L

M

M

H

H

P

P

K

S

L

I

D

E

A

A

I

M

V

Q

I

L

V

T

P

E

M

M

Y

A

P

S

-

I

-

N

-

R

-

V

H

Y

T

R

L

T

S

I

G

G

R

S

P

P

I

L

V

V

V

F

D

P

G

K

N

H

S

H

-

V

E

S

L

L

K

Q

I

P

V

V

V

N

S

D

K

K

D

D

M

F

Q

Q

I

I

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-methyl-amino]methyl]oxolane-3,4-diol: D45 (= D72), G46 (= G73), L72 (= L97), F74 (= F99), N117 (= N146), E118 (≠ D147), T156 (= T187), A157 (= A188), Y158 (= Y189), S161 (= S192)

6rgaA Crystal structure of NAD kinase 1 from listeria monocytogenes in complexe with an inhibitor (see paper)
30% identity, 59% coverage: 64:238/296 of query aligns to 37:214/259 of 6rgaA

query
sites
6rgaA

D

E

M

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

A

Q

L

Y

A

E

R

E

H

R

-

L

-

D

N

E

I

I

P

A

V

F

L

I

G

G

I

I

N

H

R

T

G

G

S

H

L

L

G

G

F
|
F

L

Y

T

A

D

D

I

W

R

R

P

P

D

A

E

E

L

A

E

D

T

K

K

L

V

V

A

K

E

L

V

L

L

A

D

K

G

G

H

E

Y

Y

L

Q

V

K

E

V

N

S

R

Y

F

P

L

L

Q

K

A

T

E

T

V

V

R

K

R

Y

H

E

A

A

E

T

A

Y

I

L

G

-

Q

-

G

-

D

-

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

E

D

F

-

E

-

L

V

Y

V

I

I

D

N

G

D

Q

I

F

H

V

F

C

E

S

R

Q

F

K

R

A

G

D

D

G

G

L

L

I

C

V

M

A

S

T

T

P

P

T

S

G

G

S

T

T
|
T

A
|
A

Y
|
Y

A

N

L

K

S
|
S

A

L

G

G

P

A

I

L

M

M

H

H

P

P

K

S

L

I

D

E

A

A

I

M

V

Q

I

L

V

T

P

E

M

M

Y

A

P

S

-

I

-

N

-

R

-

V

H

Y

T

R

L

T

S

I

G

G

R

S

P

P

I

L

V

V

V

F

D

P

G

K

N

H

S

H

-

V

E

S

L

L

K

Q

I

P

V

V

V

N

S

D

K

K

D

D

M

F

Q

Q

I

I

binding (2~{R},3~{S},4~{R},5~{R})-2-(aminomethyl)-5-[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]oxolane-3,4-diol: D45 (= D72), L49 (= L76), F74 (= F99), N117 (= N146), E118 (≠ D147), T156 (= T187), A157 (= A188), Y158 (= Y189), S161 (= S192)

6rg8A Crystal structure of NAD kinase 1 from listeria monocytogenes in complexe with an inhibitor (see paper)
31% identity, 59% coverage: 64:238/296 of query aligns to 37:216/260 of 6rg8A

query
sites
6rg8A

D

E

M

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

A

Q

L

Y

A

E

R

E

H

R

-

L

-

D

N

E

I

I

P

A

V

F

L

I

G

G

I

I

N

H

R

T

G

G

S

H

L

L

G

G

F
|
F

L
x
Y

T

A

D

D

I

W

R

R

P

P

D

A

E

E

L

A

E

D

T

K

K

L

V

V

A

K

E

L

V

L

L

A

D

K

G

G

H

E

Y

Y

L

Q

V

K

E

V

N

S

R

Y

F

P

L

L

Q

K

A

T

E

T

V

V

R

K

R

Y

H

G

A

K

E

E

A

A

I

T

G

Y

Q

L

G

-

D

-

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

E

D

F

-

E

-

L

V

Y

V

I

I

D

N

G

D

Q

I

F

H

V

F

C

E

S

R

Q

F

K

R

A

G

D

D

G

G

L

L

I

C

V

M

A

S

T

T

P

P

T

S

G

G

S

T

T
|
T

A
|
A

Y
|
Y

A

N

L

K

S
|
S

A

L

G

G

P

A

I

L

M

M

H

H

P

P

K

S

L

I

D

E

A

A

I

M

V

Q

I

L

V

T

P

E

M

M

Y

A

P

S

-

I

-

N

-

R

-

V

H

Y

T

R

L

T

S

I

G

G

R

S

P

P

I

L

V

V

V

F

D

P

G

K

N

H

S

H

-

V

E

S

L

L

K

Q

I

P

V

V

V

N

S

D

K

K

D

D

M

F

Q

Q

I

I

binding (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[4-(6-azanyl-9~{H}-purin-8-yl)but-3-ynylamino]methyl]oxolane-3,4-diol: D45 (= D72), G46 (= G73), F74 (= F99), Y75 (≠ L100), N119 (= N146), E120 (≠ D147), T158 (= T187), A159 (= A188), Y160 (= Y189), S163 (= S192)

Sites not aligning to the query:

binding (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[4-(6-azanyl-9~{H}-purin-8-yl)but-3-ynylamino]methyl]oxolane-3,4-diol: 219

6rbyA Crystal structure of NAD kinase 1 from listeria monocytogenes in complexe with an adenine derivative (see paper)
31% identity, 59% coverage: 64:238/296 of query aligns to 37:216/260 of 6rbyA

query
sites
6rbyA

D

E

M

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

A

Q

L

Y

A

E

R

E

H

R

-

L

-

D

N

E

I

I

P

A

V

F

L

I

G

G

I

I

N

H

R

T

G

G

S

H

L

L

G

G

F
|
F

L
x
Y

T

A

D

D

I

W

R

R

P

P

D

A

E

E

L

A

E

D

T

K

K

L

V

V

A

K

E

L

V

L

L

A

D

K

G

G

H

E

Y

Y

L

Q

V

K

E

V

N

S

R

Y

F

P

L

L

Q

K

A

T

E

T

V

V

R

K

R

Y

H

G

A

K

E

E

A

A

I

T

G

Y

Q

L

G

-

D

-

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

E

D

F

-

E

-

L

V

Y

V

I

I

D

N

G

D

Q

I

F

H

V

F

C

E

S

R

Q

F

K

R

A

G

D

D

G

G

L

L

I

C

V

M

A

S

T

T

P

P

T

S

G

G

S

T

T
|
T

A
|
A

Y

Y

A

N

L

K

S

S

A

L

G

G

P

A

I

L

M

M

H

H

P

P

K

S

L

I

D

E

A

A

I

M

V

Q

I

L

V

T

P

E

M

M

Y

A

P

S

-

I

-

N

-

R

-

V

H

Y

T

R

L

T

S

I

G

G

R

S

P

P

I

L

V

V

V

F

D

P

G

K

N

H

S

H

-

V

E

S

L

L

K

Q

I

P

V

V

V

N

S

D

K

K

D

D

M

F

Q

Q

I

I

binding 4-(6-azanyl-8-bromanyl-purin-9-yl)butan-1-ol: D45 (= D72), F74 (= F99), Y75 (≠ L100), N119 (= N146), T158 (= T187), A159 (= A188)

8a9vA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a linear di-adenosine derivative (see paper)
31% identity, 59% coverage: 64:238/296 of query aligns to 37:216/261 of 8a9vA

query
sites
8a9vA

D

E

M

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

A

Q

L

Y

A

E

R

E

H

R

-

L

-

D

N

E

I

I

P

A

V

F

L

I

G

G

I

I

N

H

R

T

G

G

S

H

L
|
L

G

G

F
|
F

L
x
Y

T

A

D

D

I

W

R

R

P

P

D

A

E

E

L

A

E

D

T

K

K

L

V

V

A

K

E

L

V

L

L

A

D

K

G

G

H

E

Y

Y

L

Q

V

K

E

V

N

S

R

Y

F

P

L

L

Q

K

A

T

E

T

V

V

R

K

R

Y

H

G

A

K

E

E

A

A

I

T

G

Y

Q

L

G

-

D

-

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

E

D

F

-

E

-

L

V

Y

V

I

I

D

N

G

D

Q

I

F

H

V

F

C

E

S

R

Q

F

K

R

A

G

D

D

G

G

L

L

I

C

V

M

A

S

T

T

P

P

T

S

G

G

S

T

T
|
T

A
|
A

Y
|
Y

A

N

L

K

S
|
S

A

L

G

G

P

A

I

L

M

M

H

H

P

P

K

S

L

I

D

E

A

A

I

M

V

Q

I

L

V

T

P

E

M

M

Y

A

P

S

-

I

-

N

-

R

-

V

H

Y

T

R

L

T

S

I

G

G

R

S

P

P

I

L

V

V

V

F

D

P

G

K

N

H

S

H

-

V

E

S

L

L

K

Q

I

P

V

V

V

N

S

D

K

K

D

D

M

F

Q

Q

I

I

binding ~{N}-[[(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]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-2-azanyl-ethanesulfonamide: D45 (= D72), L49 (= L76), L72 (= L97), F74 (= F99), Y75 (≠ L100), N119 (= N146), E120 (≠ D147), T158 (= T187), A159 (= A188), Y160 (= Y189), S163 (= S192)

Sites not aligning to the query:

binding ~{N}-[[(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]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-2-azanyl-ethanesulfonamide: 220

7zzjA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a linear di-adenosine derivative (see paper)
31% identity, 59% coverage: 64:238/296 of query aligns to 37:216/261 of 7zzjA

query
sites
7zzjA

D

E

M

I

V

V

I

I

V

S

V

I

G

G

D
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D

G
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G

S

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L

F

L

L

G

S

A

A

A

F

R

H

A

Q

L

Y

A

E

R

E

H

R

-

L

-

D

N

E

I

I

P

A

V

F

L

I

G

G

I

I

N

H

R

T

G

G

S

H

L
|
L

G

G

F
|
F

L
x
Y

T

A

D

D

I

W

R

R

P

P

D

A

E

E

L

A

E

D

T

K

K

L

V

V

A

K

E

L

V

L

L

A

D

K

G

G

H

E

Y

Y

L

Q

V

K

E

V

N

S

R

Y

F

P

L

L

Q

K

A

T

E

T

V

V

R

K

R

Y

H

G

A

K

E

E

A

A

I

T

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Y

Q

L

G

-

D

-

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

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P

R

F

M

V

I

V

E

D

F

-

E

-

L

V

Y

V

I

I

D

N

G

D

Q

I

F

H

V

F

C

E

S

R

Q

F

K

R

A

G

D

D

G

G

L

L

I

C

V

M

A

S

T

T

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P

T

S

G

G

S

T

T
|
T

A
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A

Y
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Y

A

N

L

K

S
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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

I

L

V

T

P

E

M

M

Y

A

P

S

-

I

-

N

-

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-

V

H

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T

R

L

T

S

I

G

G

R

S

P

P

I

L

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V

V

F

D

P

G

K

N

H

S

H

-

V

E

S

L

L

K

Q

I

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V

V

V

N

S

D

K

K

D

D

M

F

Q

Q

I

I

binding (1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-26-oxa-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3(8),4,6,9-tetraen-11-yne-16,20-dione: D45 (= D72), G46 (= G73), L72 (= L97), F74 (= F99), Y75 (≠ L100), N119 (= N146), E120 (≠ D147), T158 (= T187), A159 (= A188), Y160 (= Y189), S163 (= S192)

Sites not aligning to the query:

binding (1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-26-oxa-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3(8),4,6,9-tetraen-11-yne-16,20-dione: 220

Query Sequence

>Pf6N2E2_599 FitnessBrowser__pseudo6_N2E2:Pf6N2E2_599
MEQFRNIGIIGRLGSSQVLDTVRRLKRFLLERHLHVILEDTIAEVLPGHGLQTSSRKMLG
EVCDMVIVVGGDGSLLGAARALARHNIPVLGINRGSLGFLTDIRPDELETKVAEVLDGHY
LVENRFLLQAEVRRHAEAIGQGDALNDVVLHPGKSTRMIEFELYIDGQFVCSQKADGLIV
ATPTGSTAYALSAGGPIMHPKLDAIVIVPMYPHTLSGRPIVVDGNSELKIVVSKDMQIYP
QVSCDGQNHFTCAPGDTITVSKKAQKLRLIHPLDHNYYEVCRTKLGWGSRLGGGGD

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