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)
32% identity, 84% coverage: 1:245/292 of query aligns to 1:259/307 of P9WHV7

query
sites
P9WHV7

M
|
M

A

T

L

A

P

H

R

R

T

S

I

V

A

L

L

L

I

V

G

V

K

H

Y

T

H

G

S

R

P

D

E

E

I

A

A

T

E

E

S

T

L

A

R

R

S

R

L

V

G

E

Q

K

Y

V

L

L

S

G

E

D

R

N

G

K

V

I

S

A

V

L

L

R

V

V

E

L

A

S

D

A

T

E

A

A

A

V

N

D

V

R

G

G

E

S

S

L

R

H

W

L

M

A

T

P

G

D

D

D

F

M

Q

R

F

A

I

M

G

G

A

V

-

E

-

I

-

E

-

V

-

D

-

A

-

D

-

Q

H

H

A

A

-

A

-

D

-

G

-

C

D

E

L

L

A

V

I

L

V

V

L

L

G

G

D
|
D

G

G

T

T

M

F

L

L

N

R

A

A

R

E

H

L

L

A

A

R

R

N

Y

A

K

S

V

I

P

P

L

V

V

L

G

G

V

V

N

N

Q

L

G

G

R

R

L

I

G

G

F

F

M

L

T

A

D

E

I

A

A

E

R

A

C

E

D

A

M

I

L

D

S

A

C

V

M

L

E

E

D

H

L

V

D

A

G

Q

R

D

F

Y

V

R

P

V

E

E

E

D

R

R

L

L

I

T

L

L

D

D

A

V

E

V

V

V

I

R

R

Q

D

G

G

G

K

R

E

I

V

V

C

N

A

R

N

G

Q

W

A

A

L

L

N
|
N

D
x
E

V

V

V

S

M

L

D

E

K

K

G

G

A

P

I

R

G

L

R

G

M

V

I

L

E

G

F

V

E

V

L

V

F

E

I

I

D

D

G

G

E

R

F

P

I

V

Y

S

N

A

L

F

R

G

A

C

D

D

G
|
G

L

V

I
x
L

I

V

S

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

N
x
G

G
|
G

P

P

I

V

L

L

H

W

P

P

T

D

L

L

G

E

G

A

I

I

A

L

L

V

V

V

P

P

L

N

C

N

P

A

H

H

S

A

L

L

T

F

N

G

R

R

P

P

I

M

T

V

V

T

S

S

D

P

R

E

C

A

E

T

I

I

E

A

L

I

R

E

V

I

-

E

I

A

Q

D

S

G

A

H

D

D

A

A

R

L

V

V

H

F

F

C

D

D

G

G

Q

R

M1 (= M1) modified: Initiator methionine, Removed
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 (≠ N194) 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.

O13863 Uncharacterized kinase C1B1.02c; EC 2.7.1.- from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
29% identity, 77% coverage: 64:288/292 of query aligns to 280:514/537 of O13863

query
sites
O13863

D

D

L

C

A

V

I

I

V

T

L

V

G

G

G

D

D

D

G

S

T

A

M

A

L

L

N

R

A

A

A

S

R

W

H

L

L

F

A

Q

R

D

Y

V

K

V

V

P

P

P

L

V

V

L

G

S

V

F

N

S

Q

T

G

A

R

K

L

A

G

G

F

F

M

L

T

S

D

I

I

L

A

P

R

I

C

A

D

E

M

Y

L

T

S

K

C

T

M

L

E

D

D

L

L

I

L

F

D

H

G

R

R

G

F

F

V

T

P

V

E

N

E

L

R

R

L

M

I

R

L

F

D

Q

A

C

E

S

V

I

I

M

R

R

-

Y

-

V

-

G

-

E

D

H

G

S

K

T

E

H

V

I

C

C

A

E

N

G

Q

Q

-

Y

-

S

A

V

L

L

N

N

D

E

V

L

M

I

D

D

K

R

G

G

A

P

I

N

G

P

R

F

M

M

I

I

E

S

F

L

E

D

L

L

F

Y

I

V

D

E

G

N

E

E

F

Y

I

I

Y

T

N

T

L

L

R

Q

A

S

D

D

G

G

L

V

I

C

I

V

S

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

N

G

G

G

P

S

I

L

L

C

H

H

P

P

T

G

L

I

G

P

G

A

I

I

A

L

L

I

V

S

P

A

L

I

C

C

P

P

H

H

S

S

L

L

T

S

N

F

R

R

P

P

I

I

T

I

V

L

S

P

D

D

R

-

C

-

E

S

I

M

E

T

L

L

R

R

V

I

I

V

Q

V

S

P

A

L

D

D

A

A

R

R

V

S

H

N

-

A

-

W

-

C

-

A

F

F

D

D

G

G

Q

H

V

H

A

R

F

I

D

E

I

L

R

G

P

L

D

G

D

D

C

Y

V

I

R

S

M

I

R

S

R

A

S

S

A

S

Y

F

N

P

V

F

C

P

F

S

L

V

H

I

P

R

P

S

G

K

Y

Y

S

S

-

K

-

D

Y

W

F

F

A

D

M

I

L

L

R

R

Q

Q

K

T

L

L

H

N

W

W

S

N

K

D

R

R

Sites not aligning to the query:

72 modified: Phosphoserine

3afoA Crystal structure of yeast nadh kinase complexed with nadh
28% identity, 78% coverage: 5:232/292 of query aligns to 38:282/360 of 3afoA

query
sites
3afoA

R

Q

T

N

I

V

A

Y

L

I

I

T

G

K

K

K

Y

P

H

W

S

T

P

P

E

S

I

T

A

R

E

E

S

A

L

M

R

V

S

E

L

F

G

I

Q

T

Y

H

L

L

S

H

E

E

R

S

-

Y

-

P

G

E

V

V

S

N

V

V

L

I

V

V

E

Q

A

P

D

D

T

V

A

A

A

E

N

E

V

I

G

S

E

Q

S

D

R

F

-

K

-

S

-

P

-

L

-

E

-

N

-

D

-

P

-

N

-

R

-

P

-

H

-

I

W

L

M

Y

T

T

G

G

D

P

F

E

Q

Q

F

D

I

I

G

V

A

N

H

R

A

T

D

D

L

L

A

L

I

V

V

T

L

L

G

G

D
|
D

G
|
G

T

T

M

I

L
|
L

N

H

A

G

A

V

R

S

H

M

L

F

A

G

R

N

Y

T

K

Q

V

V

P

P

-

P

L

V

V

L

G

A

V

F

N

A

Q

L

G

G

R

T

L

L

G

G

F
|
F

M

L

T

S

D

P

I

F

A

D

R

F

C

K

D

E

M

H

L

K

S

K

C

V

M

F

E

Q

D

E

L

V

L

I

D

S

G

S

R

R

F

A

V

K

P

C

E

L

E

H

R

R

L

T

I

R

L

L

D

E

A

C

E

H

V

L

I

K

R

K

-

K

D

D

G

S

K

N

E

S

V

S

C

I

A

V

N

T

Q

H

A

A

L

M

N
|
N

D
|
D

V

I

V

F

M

L

D

H

K

R

G

G

A

N

I

S

G

P

R

H

M

L

I

T

E

N

F

L

E

D

L

I

F

F

I

I

D

D

G

G

E

E

F

F

I

L

Y

T

N

R

L

T

R

T

A

A

D

D

G

G

L

V

I

A

I

L

S

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

N

G

G

G

P

S

I

I

L

V

H

S

P

P

T

L

L

V

G

P

G

A

I

I

A

L

L

M

V

T

P

P

L

I

C

C

P

P

H

R

S

S

L

L

T

S

N

F

R

R

P

P

I

L

T

I

V

L

S

P

D

H

R

S

C

S

E

H

I

I

E

R

L

I

R

K

V

I

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)

Sites not aligning to the query:

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

1y3iA Crystal structure of mycobacterium tuberculosis NAD kinase-NAD complex (see paper)
38% identity, 60% coverage: 70:245/292 of query aligns to 12:188/231 of 1y3iA

query
sites
1y3iA

G

G

D
|
D

G
|
G

T

T

M

F

L

L

N

R

A

A

R

E

H

L

L

A

A

R

R

N

Y

A

K

S

V

I

P

P

L

V

V

L

G

G

V

V

N

N

Q

L

G

G

R
|
R

L

I

G

G

F
|
F

M
x
L

T

A

D

E

I

A

A

E

R

A

C

E

D

A

M

I

L

D

S

A

C

V

M

L

E

E

D

H

L

V

D

A

G

Q

R

D

F

Y

V

R

P

V

E

E

E

D

R

R

L

L

I

T

L

L

D

D

A

V

E

V

V

V

I

R

R

Q

D

G

G

G

K

R

E

I

V

V

C

N

A

R

N

G

Q

W

A

A

L

L

N
|
N

D
x
E

V

V

V

S

M

L

D

E

K

K

G

G

A

P

I

R

G

L

R

G

M

V

I

L

E

G

F

V

E

V

L

V

F

E

I

I

D

D

G

G

E

R

F

P

I

V

Y

S

N

A

L

F

R

G

A

C

D

D

G

G

L

V

I

L

I

V

S

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

N

G

G

G

P

P

I

V

L

L

H

W

P

P

T

D

L

L

G

E

G

A

I

I

A

L

L

V

V

V

P

P

L

N

C

N

P

A

H

H

S

A

L

L

T

F

N

G

R

R

P

P

I

M

T

V

V

T

S

S

D

P

R

E

C

A

E

T

I

I

E

A

L

I

R

E

V

I

-

E

I

A

Q

D

S

G

A

H

D

D

A

A

R

L

V

V

H

F

F

C

D

D

G

G

Q

R

binding nicotinamide-adenine-dinucleotide: D14 (= D72), G15 (= G73), R38 (= R96), F41 (= F99), L42 (≠ M100), N88 (= N146), E89 (≠ D147), T129 (= T187), A130 (= A188), Y131 (= Y189), S134 (= S192)

Q9P7K3 Uncharacterized kinase C24B10.02c; EC 2.7.1.- from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
24% identity, 78% coverage: 64:290/292 of query aligns to 176:411/449 of Q9P7K3

query
sites
Q9P7K3

D

D

L

L

A

A

I

I

V

T

L

I

G

G

G

D

D

N

G

S

T

T

M

L

L

L

N

Y

A

T

A

S

R

W

H

L

L

F

A

Q

R

K

Y

I

K

G

V

P

P

P

L

V

V

L

G

S

V

F

N

S

Q

D

G

D

R

D

L

V

-

P

G

G

F

F

M

L

T

T

D

H

I

F

A

S

R

L

C

S

D

N

M

Y

L

Q

S

Q

C

H

M

L

E

Y

D

Q

L

V

L

L

D

T

G

Q

-

N

-

V

-

S

-

L

R

R

F

F

V

C

P

S

E

R

E

L

R

Q

L

C

I

S

L

F

D

H

A

K

-

Y

-

D

E

E

V

K

I

T

R

K

D

Q

G

Y

K

S

E

L

V

A

C

S

A

T

N

T

Q

Y

A

S

L

L

N

D

D

E

V

I

V

L

M

I

D

S

K

R

G

G

A

E

I

H

G

P

R

F

M

I

I

S

E

N

F

L

E

N

L

V

F

Y

I

N

D

N

G

S

E

E

F

L

I

M

Y

T

N

V

L

V

R

Q

A

A

D

D

G

G

L

L

I

V

S

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

N

G

G

G

P

S

I

L

L

V

H

H

P

P

T

A

L

L

G

N

G

A

I

I

A

L

L

V

V

T

P

P

L

V

C

C

P

P

H

H

S

T

L

L

T

S

N

F

R

R

P

P

I

I

T

I

V

L

S

P

D

D

R

Y

-

N

-

V

C

L

E

N

I

V

E

E

L

I

R

P

V

L

I

D

Q

S

S

R

A

S

D

S

A

A

R

F

V

F

H

S

F

V

D

D

G

R

Q

H

V

E

A

S

F

V

D

E

I

M

R

H

P

R

D

G

D

D

C

Y

V

L

R

S

M

I

R

V

R

T

S

S

A

H

Y

Y

N

P

V

F

C

T

F

T

L

I

H

Q

P

N

P

P

G

G

Y

Y

S

Q

Y

W

F

T

A

K

M

V

L

L

R

E

Q

D

K

K

L

F

H

N

W

W

S

N

K

V

R

R

P

E

K

R

Sites not aligning to the query:

420 modified: Phosphoserine

1z0zA Crystal structure of a NAD kinase from archaeoglobus fulgidus in complex with NAD (see paper)
31% identity, 64% coverage: 64:249/292 of query aligns to 41:223/249 of 1z0zA

query
sites
1z0zA

D

D

L

F

A

I

I

V

V

S

L

V

G

G

D

D

G

G

T

T

M

I

L

L

N

R

A

I

A

L

R

Q

H

K

L

L

A

K

R

R

Y

C

K

P

V

-

P

P

L

I

V

F

G

G

V

I

N

N

Q

T

G

G

R

R

L

V

G

G

F

L

M

L

T

T

D

H

I

A

A

S

R

P

C

E

D

N

M

F

L

E

S

-

C

-

M

-

E

-

D

-

L

-

D

-

G

-

R

-

F

-

V

V

P

E

E

L

E

K

R

K

L

A

I

V

L

E

D

K

A

F

E
|
E

V

V

I

E

R

R

D

F

G

P

K

R

E

V

V

S

C
|
C

A

S

N

A

Q

M

-

P

-

D

-

V

-

L

A

A

L

L

N
|
N

D
x
E

V

I

V

A

M

V

D

L

K

S

G

R

A

K

I

P

G

A

R

K

M
|
M

I

I

E

D

F

V

E

A

L

L

F

R

I

V

D

D

G

G

E

V

F

E

I

V

Y

D

N

R

L

I

R
|
R

A

C

D
|
D

G

G

L

F

I

I

I

V

S

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

N

G

G

G

P

P

I

V

L

V

H

E

P

P

T

Y

L

L

G

E

G

C

I

F

A

I

L

L

V

I

P

P

L

I

C

A

P

P

H
x
F

S

R

L

F

T

G

N

W

R

K

P

P

I

Y

T

V

V

V

S

S

D

M

R

E

C

R

E

K

I

I

E

E

L

V

-

I

-

A

-

E

R

K

V

A

I

I

Q

V

S

V

A

A

D
|
D

A
x
G

R

Q

-

K

-

S

V

V

H

D

F

F

D

D

G

G

Q

E

V

I

A

T

F

I

D

E

active site: E96 (= E131), C105 (= C140)
binding nicotinamide-adenine-dinucleotide: N115 (= N146), E116 (≠ D147), M127 (= M158), R143 (= R174), D145 (= D176), T156 (= T187), Y158 (= Y189), S161 (= S192), F182 (≠ H213), D209 (= D237), G210 (≠ A238)

1z0sA Crystal structure of an NAD kinase from archaeoglobus fulgidus in complex with atp (see paper)
31% identity, 64% coverage: 64:249/292 of query aligns to 41:223/249 of 1z0sA

query
sites
1z0sA

D

D

L

F

A

I

I

V

V

S

L

V

G

G

G
|
G

D

D

G
|
G

T
|
T

M

I

L

L

N
x
R

A

I

A

L

R

Q

H

K

L

L

A

K

R

R

Y

C

K

P

V

-

P

P

L

I

V

F

G

G

V

I

N

N

Q

T

G

G

R
|
R

L

V

G

G

F

L

M

L

T

T

D

H

I

A

A

S

R

P

C

E

D

N

M

F

L

E

S

-

C

-

M

-

E

-

D

-

L

-

D

-

G

-

R

-

F

-

V

V

P

E

E

L

E

K

R

K

L

A

I

V

L

E

D

K

A

F

E
|
E

V

V

I

E

R

R

D

F

G

P

K

R

E

V

V

S

C
|
C

A

S

N

A

Q

M

-

P

-

D

-

V

-

L

A

A

L

L

N
|
N

D
x
E

V

I

V

A

M

V

D

L

K

S

G

R

A

K

I

P

G
x
A

R
x
K

M
|
M

I

I

E

D

F

V

E

A

L

L

F

R

I

V

D

D

G

G

E

V

F

E

I

V

Y

D

N

R

L

I

R

R

A

C

D
|
D

G

G

L

F

I

I

I

V

S

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

N

G

G

G

P

P

I

V

L

V

H

E

P

P

T

Y

L

L

G

E

G

C

I

F

A

I

L

L

V

I

P

P

L

I

C
x
A

P

P

H
x
F

S

R

L

F

T

G

N

W

R

K

P

P

I

Y

T

V

V

V

S

S

D

M

R

E

C

R

E

K

I

I

E

E

L

V

-

I

-

A

-

E

R

K

V

A

I

I

Q

V

S

V

A

A

D
|
D

A

G

R

Q

-

K

-

S

V

V

H

D

F

F

D

D

G

G

Q

E

V

I

A

T

F

I

D

E

active site: E96 (= E131), C105 (= C140)
binding adenosine-5'-triphosphate: R54 (≠ N77), N115 (= N146), E116 (≠ D147), A125 (≠ G156), K126 (≠ R157), M127 (= M158), D145 (= D176), G157 (≠ A188), Y158 (= Y189), S161 (= S192), A180 (≠ C211), F182 (≠ H213), D209 (= D237)
binding pyrophosphate 2-: G48 (= G71), G50 (= G73), T51 (= T74), R54 (≠ N77), 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)
31% identity, 64% coverage: 64:249/292 of query aligns to 41:223/249 of 1suwA

query
sites
1suwA

D

D

L

F

A

I

I

V

V

S

L

V

G

G

G
|
G

D
|
D

G
|
G

T

T

M

I

L

L

N

R

A

I

A

L

R

Q

H

K

L

L

A

K

R

R

Y

C

K

P

V

-

P

P

L

I

V

F

G

G

V

I

N

N

Q

T

G

G

R

R

L

V

G

G

F

L

M

L

T

T

D

H

I

A

A

S

R

P

C

E

D

N

M

F

L

E

S

-

C

-

M

-

E

-

D

-

L

-

D

-

G

-

R

-

F

-

V

V

P

E

E

L

E

K

R

K

L

A

I

V

L

E

D

K

A

F

E

E

V

V

I

E

R

R

D

F

G

P

K

R

E

V

V

S

C

C

A

S

N

A

Q

M

-

P

-

D

-

V

-

L

A

A

L

L

N
|
N

D
x
E

V

I

V

A

M

V

D

L

K

S

G

R

A

K

I

P

G
x
A

R

K

M
|
M

I

I

E

D

F

V

E

A

L

L

F

R

I

V

D

D

G

G

E

V

F

E

I

V

Y

D

N

R

L

I

R
|
R

A

C

D
|
D

G

G

L

F

I

I

I

V

S

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

N

G

G

G

P

P

I

V

L

V

H

E

P

P

T

Y

L

L

G

E

G

C

I

F

A

I

L

L

V

I

P

P

L

I

C

A

P

P

H
x
F

S

R

L

F

T

G

N

W

R

K

P

P

I

Y

T

V

V

V

S

S

D

M

R

E

C

R

E

K

I

I

E

E

L

V

-

I

-

A

-

E

R

K

V

A

I

I

Q

V

S

V

A

A

D
|
D

A
x
G

R

Q

-

K

-

S

V

V

H

D

F

F

D

D

G

G

Q

E

V

I

A

T

F

I

D

E

binding nadp nicotinamide-adenine-dinucleotide phosphate: G48 (= G71), D49 (= D72), G50 (= G73), N115 (= N146), E116 (≠ D147), A125 (≠ G156), M127 (= M158), R143 (= R174), D145 (= D176), T156 (= T187), Y158 (= Y189), S161 (= S192), F182 (≠ H213), D209 (= D237), G210 (≠ A238)

O30297 NAD kinase; ATP-dependent NAD kinase; EC 2.7.1.23 from Archaeoglobus fulgidus (strain ATCC 49558 / DSM 4304 / JCM 9628 / NBRC 100126 / VC-16) (see paper)
31% identity, 64% coverage: 64:249/292 of query aligns to 41:223/249 of O30297

query
sites
O30297

D

D

L

F

A

I

I

V

V

S

L

V

G

G

D
|
D

G
|
G

T

T

M

I

L

L

N
x
R

A

I

A

L

R

Q

H

K

L

L

A

K

R

R

Y

C

K

P

V

-

P

P

L

I

V

F

G

G

V

I

N

N

Q

T

G

G

R

R

L

V

G

G

F

L

M

L

T

T

D

H

I

A

A

S

R

P

C

E

D

N

M

F

L

E

S

-

C

-

M

-

E

-

D

-

L

-

D

-

G

-

R

-

F

-

V

V

P

E

E

L

E

K

R

K

L

A

I

V

L

E

D

K

A

F

E

E

V

V

I

E

R

R

D

F

G

P

K

R

E

V

V

S

C

C

A

S

N

A

Q

M

-

P

-

D

-

V

-

L

A

A

L

L

N
|
N

D
x
E

V

I

V

A

M

V

D

L

K

S

G

R

A

K

I

P

G

A

R
x
K

M

M

I

I

E

D

F

V

E

A

L

L

F

R

I

V

D

D

G

G

E

V

F

E

I

V

Y

D

N

R

L

I

R
|
R

A

C

D

D

G

G

L

F

I

I

I

V

S

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

N

G

G

G

P

P

I

V

L

V

H

E

P

P

T

Y

L

L

G

E

G

C

I

F

A

I

L

L

V

I

P

P

L

I

C

A

P

P

H

F

S

R

L

F

T

G

N

W

R

K

P

P

I

Y

T

V

V

V

S

S

D

M

R

E

C

R

E

K

I

I

E

E

L

V

-

I

-

A

-

E

R

K

V

A

I

I

Q

V

S

V

A

A

D

D

A

G

R
x
Q

-

K

-

S

V

V

H

D

F

F

D

D

G

G

Q

E

V

I

A

T

F

I

D

E

DG 49:50 (= DG 72:73) binding
R54 (≠ N77) binding
NE 115:116 (≠ ND 146:147) binding
K126 (≠ R157) binding
R143 (= R174) binding
I153 (≠ T184) binding
TGYAFS 156:161 (≠ TAYALS 187:192) binding
Q211 (≠ R239) binding

6rbzA Crystal structure of NAD kinase 1 from listeria monocytogenes in complexe with an adenine derivative (see paper)
25% identity, 73% coverage: 55:267/292 of query aligns to 28:243/262 of 6rbzA

query
sites
6rbzA

D

D

F

M

Q

E

F

Y

I

D

G

D

A

V

H

E

A

P

D

E

L

I

A

V

I

I

V

S

L

I

G

G

D
|
D

G
|
G

T

T

M

F

L

L

N

S

A

A

A

F

R

H

H

Q

L

Y

A

E

R

E

Y

R

-

L

-

D

K

E

V

I

P

A

L

F

V

I

G

G

V

I

N

H

Q

T

G

G

R

H

L

L

G

G

F
|
F

M

Y

T

A

D

D

I

W

A

R

R

P

C

A

D

E

M

A

L

D

S

K

C

L

M

V

E

K

D

L

L

L

L

A

D

K

G

G

R

E

F

Y

V

Q

P

K

E

V

E

S

R

Y

L

P

I

L

L

L

D

K

A

T

E

T

V

V

I

-

R

K

D

Y

G

G

K

K

E

K

V

E

C

A

A

T

N

Y

Q

L

A

A

L

L

N
|
N

D

E

V

S

V

T

M

V

D

-

K

K

G

S

A

S

I

G

G

G

R

P

M

F

I

V

E

-

F

V

E

D

L

V

F

V

I

I

D

N

G

D

E

I

F

H

I

F

Y

E

N

R

L

F

R

R

A

G

D

D

G

G

L

L

I

C

I

M

S

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

N

G

G

G

P

A

I

L

L

M

H

H

P

P

T

S

L

I

G

E

G

A

I

M

A

Q

L

L

V

T

P

E

L

M

C

A

P

-

H

-

S

S

L

I

T

N

N

N

R

R

-

V

-

Y

-

R

-

T

-

I

-

G

-

S

P

P

I

L

T

V

V

F

S

P

D

K

R

H

C

H

E

V

I

V

E

S

L

L

R

Q

V

P

I

V

Q

N

S

D

A

K

D

D

A

F

R

Q

V

I

H

S

F

V

D

D

G

-

Q

H

V

L

A

S

F

I

D

L

I

H

R

R

P

D

D

V

D

Q

C

E

V

I

R

R

M

Y

R

E

R

V

S

S

A

A

Y

K

N

K

V

I

C

H

F

F

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)
24% identity, 73% coverage: 55:267/292 of query aligns to 28:244/263 of 5dhuA

query
sites
5dhuA

D

D

F

M

Q

E

F

Y

I

D

G

D

A

V

H

E

A

P

D

E

L

I

A

V

I

I

V

S

L

I

G

G

D

D

G

G

T

T

M

F

L

L

N

S

A

A

A

F

R

H

H

Q

L

Y

A

E

R

E

Y

R

-

L

-

D

K

E

V

I

P

A

L

F

V

I

G

G

V

I

N

H

Q

T

G

G

R

H

L

L

G

G

F

F

M

Y

T

A

D

D

I

W

A

R

R

P

C

A

D

E

M

A

L

D

S

K

C

L

M

V

E

K

D

L

L

L

L

A

D

K

G

G

R

E

F

Y

V

Q

P

K

E

V

E

S

R

Y

L

P

I

L

L

L

D

K

A

T

E

T

V

V

I

K

R

Y

D

G

G

I

K

K

E

K

V

E

C

A

A

T

N

Y

Q

L

A

A

L

L

N

N

D
x
E

V

S

V

T

M

V

D

-

K

K

G

S

A

S

I

G

G
|
G

R
x
P

M

F

I

V

E

-

F

V

E

D

L

V

F

V

I

I

D

N

G

D

E

I

F

H

I

F

Y

E

N

R

L

F

R
|
R

A
x
G

D
|
D

G

G

L

L

I

C

I

M

S

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

N

G

G

G

P

A

I

L

L

M

H

H

P

P

T

S

L

I

G

E

G

A

I

M

A

Q

L

L

V

T

P

E

L

M

C
x
A

P

-

H

-

S

S

L

I

T

N

N

N

R

R

-

V

-

Y

-

R

-

T

-

I

-

G

-

S

P

P

I

L

T

V

V

F

S

P

D

K

R

H

C

H

E

V

I

V

E

S

L

L

R

Q

V

P

I

V

Q

N

S

D

A

K

D

D

A

F

R

Q

V

I

H

S

F

V

D

D

G

-

Q
x
H

V

L

A

S

F

I

D

L

I

H

R

R

P

D

D

V

D

Q

C

E

V

I

R

R

M

Y

R

E

R

V

S

S

A

A

Y

K

N

K

V

I

C

H

F

F

binding 5'-azido-5'-deoxy-8-[(2-{[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine: E122 (≠ D147), G130 (= G156), P131 (≠ R157), R147 (= R174), G148 (≠ A175), D149 (= D176), Y162 (= Y189), S165 (= S192), A184 (≠ C211), H222 (≠ Q245)

5dhtA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor (see paper)
24% identity, 73% coverage: 55:267/292 of query aligns to 28:244/263 of 5dhtA

query
sites
5dhtA

D

D

F

M

Q

E

F

Y

I

D

G

D

A

V

H

E

A

P

D

E

L

I

A

V

I

I

V

S

L

I

G

G

D

D

G

G

T

T

M

F

L

L

N

S

A

A

A

F

R

H

H

Q

L

Y

A

E

R

E

Y

R

-

L

-

D

K

E

V

I

P

A

L

F

V

I

G

G

V

I

N

H

Q

T

G

G

R

H

L

L

G

G

F

F

M

Y

T

A

D

D

I

W

A

R

R

P

C

A

D

E

M

A

L

D

S

K

C

L

M

V

E

K

D

L

L

L

L

A

D

K

G

G

R

E

F

Y

V

Q

P

K

E

V

E

S

R

Y

L

P

I

L

L

L

D

K

A

T

E

T

V

V

I

K

R

Y

D

G

G

I

K

K

E

K

V

E

C

A

A

T

N

Y

Q

L

A

A

L

L

N
|
N

D
x
E

V

S

V

T

M

V

D

-

K

K

G

S

A

S

I

G

G

G

R
x
P

M

F

I

V

E

-

F

V

E

D

L

V

F

V

I

I

D

N

G

D

E

I

F

H

I

F

Y

E

N

R

L

F

R

R

A
x
G

D
|
D

G

G

L

L

I

C

I

M

S

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

N

G

G

G

P

A

I

L

L

M

H

H

P

P

T

S

L

I

G

E

G

A

I

M

A

Q

L

L

V

T

P

E

L

M

C
x
A

P

-

H

-

S

S

L

I

T

N

N

N

R

R

-

V

-

Y

-

R

-

T

-

I

-

G

-

S

P

P

I

L

T

V

V

F

S

P

D

K

R

H

C

H

E

V

I

V

E

S

L

L

R

Q

V

P

I

V

Q

N

S

D

A

K

D

D

A

F

R

Q

V

I

H

S

F

V

D

D

G

-

Q

H

V

L

A

S

F

I

D

L

I

H

R

R

P

D

D

V

D

Q

C

E

V

I

R

R

M

Y

R

E

R

V

S

S

A

A

Y

K

N

K

V

I

C

H

F

F

binding 5'-azido-8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine: N121 (= N146), E122 (≠ D147), P131 (≠ R157), G148 (≠ A175), D149 (= D176), A161 (= A188), Y162 (= Y189), S165 (= S192), A184 (≠ C211)

5dhsA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor (see paper)
24% identity, 73% coverage: 55:267/292 of query aligns to 28:244/263 of 5dhsA

query
sites
5dhsA

D

D

F

M

Q

E

F

Y

I

D

G

D

A

V

H

E

A

P

D

E

L

I

A

V

I

I

V

S

L

I

G

G

D

D

G

G

T

T

M

F

L

L

N

S

A

A

A

F

R

H

H

Q

L

Y

A

E

R

E

Y

R

-

L

-

D

K

E

V

I

P

A

L

F

V

I

G

G

V

I

N

H

Q

T

G

G

R

H

L

L

G

G

F

F

M

Y

T

A

D

D

I

W

A

R

R

P

C

A

D

E

M

A

L

D

S

K

C

L

M

V

E

K

D

L

L

L

L

A

D

K

G

G

R

E

F

Y

V

Q

P

K

E

V

E

S

R

Y

L

P

I

L

L

L

D

K

A

T

E

T

V

V

I

K

R

Y

D

G

G

I

K

K

E

K

V

E

C

A

A

T

N

Y

Q

L

A

A

L

L

N
|
N

D
x
E

V

S

V

T

M

V

D

-

K

K

G

S

A

S

I

G

G
|
G

R
x
P

M

F

I

V

E

-

F

V

E

D

L

V

F

V

I

I

D

N

G

D

E

I

F

H

I

F

Y

E

N

R

L

F

R
|
R

A
x
G

D
|
D

G

G

L

L

I

C

I

M

S

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

N

G

G

G

P

A

I

L

L

M

H

H

P

P

T

S

L

I

G

E

G

A

I

M

A

Q

L

L

V

T

P

E

L

M

C
x
A

P

-

H

-

S

S

L

I

T

N

N

N

R

R

-

V

-

Y

-

R

-

T

-

I

-

G

-

S

P

P

I

L

T

V

V

F

S

P

D

K

R

H

C

H

E

V

I

V

E

S

L

L

R

Q

V

P

I

V

Q

N

S

D

A

K

D

D

A

F

R

Q

V

I

H

S

F

V

D

D

G

-

Q
x
H

V

L

A

S

F

I

D

L

I

H

R

R

P

D

D

V

D

Q

C

E

V

I

R

R

M

Y

R

E

R

V

S

S

A

A

Y

K

N

K

V

I

C

H

F

F

binding 5'-azido-5'-deoxy-8-[(2-{[2-(3-ethynylphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine: N121 (= N146), E122 (≠ D147), G130 (= G156), P131 (≠ R157), R147 (= R174), G148 (≠ A175), D149 (= D176), Y162 (= Y189), S165 (= S192), A184 (≠ C211), H222 (≠ Q245)

5dhrA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor (see paper)
24% identity, 73% coverage: 55:267/292 of query aligns to 28:244/263 of 5dhrA

query
sites
5dhrA

D

D

F

M

Q

E

F

Y

I

D

G

D

A

V

H

E

A

P

D

E

L

I

A

V

I

I

V

S

L

I

G

G

D

D

G

G

T

T

M

F

L

L

N

S

A

A

A

F

R

H

H

Q

L

Y

A

E

R

E

Y

R

-

L

-

D

K

E

V

I

P

A

L

F

V

I

G

G

V

I

N

H

Q

T

G

G

R

H

L

L

G

G

F

F

M

Y

T

A

D

D

I

W

A

R

R

P

C

A

D

E

M

A

L

D

S

K

C

L

M

V

E

K

D

L

L

L

L

A

D

K

G

G

R

E

F

Y

V

Q

P

K

E

V

E

S

R

Y

L

P

I

L

L

L

D

K

A

T

E

T

V

V

I

K

R

Y

D

G

G

I

K

K

E

K

V

E

C

A

A

T

N

Y

Q

L

A

A

L

L

N
|
N

D
x
E

V

S

V

T

M

V

D

-

K

K

G

S

A

S

I

G

G
|
G

R
x
P

M

F

I

V

E

-

F

V

E

D

L

V

F

V

I

I

D

N

G

D

E

I

F

H

I

F

Y

E

N

R

L

F

R
|
R

A
x
G

D
|
D

G

G

L

L

I

C

I

M

S

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

N

G

G

G

P

A

I

L

L

M

H

H

P

P

T

S

L

I

G

E

G

A

I

M

A

Q

L

L

V

T

P

E

L

M

C

A

P

-

H

-

S

S

L

I

T

N

N

N

R

R

-

V

-

Y

-

R

-

T

-

I

-

G

-

S

P

P

I

L

T

V

V

F

S

P

D

K

R

H

C

H

E

V

I

V

E

S

L

L

R

Q

V

P

I

V

Q

N

S

D

A

K

D

D

A

F

R

Q

V

I

H

S

F

V

D

D

G

-

Q
x
H

V

L

A

S

F

I

D

L

I

H

R

R

P

D

D

V

D

Q

C

E

V

I

R

R

M

Y

R

E

R

V

S

S

A

A

Y

K

N

K

V

I

C

H

F

F

binding 5'-azido-8-[(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine: N121 (= N146), E122 (≠ D147), G130 (= G156), P131 (≠ R157), R147 (= R174), G148 (≠ A175), D149 (= D176), Y162 (= Y189), S165 (= S192), H222 (≠ Q245)

5dhqA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor (see paper)
24% identity, 73% coverage: 55:267/292 of query aligns to 28:244/263 of 5dhqA

query
sites
5dhqA

D

D

F

M

Q

E

F

Y

I

D

G

D

A

V

H

E

A

P

D

E

L

I

A

V

I

I

V

S

L

I

G

G

D

D

G

G

T

T

M

F

L

L

N

S

A

A

A

F

R

H

H

Q

L

Y

A

E

R

E

Y

R

-

L

-

D

K

E

V

I

P

A

L

F

V

I

G

G

V

I

N

H

Q

T

G

G

R

H

L

L

G

G

F

F

M

Y

T

A

D

D

I

W

A

R

R

P

C

A

D

E

M

A

L

D

S

K

C

L

M

V

E

K

D

L

L

L

L

A

D

K

G

G

R

E

F

Y

V

Q

P

K

E

V

E

S

R

Y

L

P

I

L

L

L

D

K

A

T

E

T

V

V

I

K

R

Y

D

G

G

I

K

K

E

K

V

E

C

A

A

T

N

Y

Q

L

A

A

L

L

N
|
N

D
x
E

V

S

V

T

M

V

D

-

K

K

G

S

A

S

I

G

G
|
G

R
x
P

M

F

I

V

E

-

F

V

E

D

L

V

F

V

I

I

D

N

G

D

E

I

F

H

I

F

Y

E

N

R

L

F

R
|
R

A
x
G

D
|
D

G

G

L

L

I

C

I

M

S

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

N

G

G

G

P

A

I

L

L

M

H

H

P

P

T

S

L

I

G

E

G

A

I

M

A

Q

L

L

V

T

P

E

L

M

C

A

P

-

H

-

S

S

L

I

T

N

N

N

R

R

-

V

-

Y

-

R

-

T

-

I

-

G

-

S

P

P

I

L

T

V

V

F

S

P

D

K

R

H

C

H

E

V

I

V

E

S

L

L

R

Q

V

P

I

V

Q

N

S

D

A

K

D

D

A

F

R

Q

V

I

H

S

F

V

D

D

G

-

Q
x
H

V

L

A

S

F

I

D

L

I

H

R

R

P

D

D

V

D

Q

C

E

V

I

R

R

M

Y

R

E

R

V

S

S

A

A

Y

K

N

K

V

I

C

H

F

F

binding 8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine: N121 (= N146), E122 (≠ D147), G130 (= G156), P131 (≠ R157), R147 (= R174), G148 (≠ A175), D149 (= D176), Y162 (= Y189), S165 (= S192), H222 (≠ Q245)

5dhpA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a novel inhibitor (see paper)
24% identity, 73% coverage: 55:267/292 of query aligns to 28:244/263 of 5dhpA

query
sites
5dhpA

D

D

F

M

Q

E

F

Y

I

D

G

D

A

V

H

E

A

P

D

E

L

I

A

V

I

I

V

S

L

I

G

G

D

D

G

G

T

T

M

F

L

L

N

S

A

A

A

F

R

H

H

Q

L

Y

A

E

R

E

Y

R

-

L

-

D

K

E

V

I

P

A

L

F

V

I

G

G

V

I

N

H

Q

T

G

G

R

H

L

L

G

G

F

F

M

Y

T

A

D

D

I

W

A

R

R

P

C

A

D

E

M

A

L

D

S

K

C

L

M

V

E

K

D

L

L

L

L

A

D

K

G

G

R

E

F

Y

V

Q

P

K

E

V

E

S

R

Y

L

P

I

L

L

L

D

K

A

T

E

T

V

V

I

K

R

Y

D

G

G

I

K

K

E

K

V

E

C

A

A

T

N

Y

Q

L

A

A

L

L

N
|
N

D
x
E

V

S

V

T

M

V

D

-

K

K

G

S

A

S

I

G

G
|
G

R
x
P

M

F

I

V

E

-

F

V

E

D

L

V

F

V

I

I

D

N

G

D

E

I

F

H

I

F

Y

E

N

R

L

F

R

R

A

G

D
|
D

G

G

L

L

I

C

I

M

S

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

N

G

G

G

P

A

I

L

L

M

H

H

P

P

T

S

L

I

G

E

G

A

I

M

A

Q

L

L

V

T

P

E

L

M

C

A

P

-

H

-

S

S

L

I

T

N

N

N

R

R

-

V

-

Y

-

R

-

T

-

I

-

G

-

S

P

P

I

L

T

V

V

F

S

P

D

K

R

H

C

H

E

V

I

V

E

S

L

L

R

Q

V

P

I

V

Q

N

S

D

A

K

D

D

A

F

R

Q

V

I

H

S

F

V

D

D

G

-

Q
x
H

V

L

A

S

F

I

D

L

I

H

R

R

P

D

D

V

D

Q

C

E

V

I

R

R

M

Y

R

E

R

V

S

S

A

A

Y

K

N

K

V

I

C

H

F

F

binding 8-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)adenosine: N121 (= N146), E122 (≠ D147), G130 (= G156), P131 (≠ R157), D149 (= D176), Y162 (= Y189), S165 (= S192), H222 (≠ Q245)

7zzhA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a linear di-adenosine derivative (see paper)
25% identity, 73% coverage: 55:267/292 of query aligns to 28:245/264 of 7zzhA

query
sites
7zzhA

D

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E

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binding (1~{R},22~{R},23~{S},24~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-23,24-bis(oxidanyl)-25-oxa-2,4,6,9,14,17,20-heptazatetracyclo[20.2.1.0^{2,10}.0^{3,8}]pentacosa-3(8),4,6,9-tetraen-11-yne-16,19-dione: D45 (= D72), F74 (= F99), Y75 (≠ M100), N122 (= N146), E123 (≠ D147), T161 (= T187), A162 (= A188), Y163 (= Y189), S166 (= S192)

7zzfA Crystal structure of NAD kinase 1 from listeria monocytogenes in complex with a linear di-adenosine derivative (see paper)
25% identity, 73% coverage: 55:267/292 of query aligns to 28:245/264 of 7zzfA

query
sites
7zzfA

D

D

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binding (1~{R},23~{R},24~{S},25~{R})-14-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-7-azanyl-24,25-bis(oxidanyl)-26-oxa-2,4,6,9,14,17,21-heptazatetracyclo[21.2.1.0^{2,10}.0^{3,8}]hexacosa-3(8),4,6,9-tetraen-11-yne-18,20-dione: D45 (= D72), F74 (= F99), Y75 (≠ M100), N122 (= N146), E123 (≠ D147), T161 (= T187), A162 (= A188), Y163 (= Y189), S166 (= S192)

Query Sequence

>Dsui_3073 FitnessBrowser__PS:Dsui_3073
MALPRTIALIGKYHSPEIAESLRSLGQYLSERGVSVLVEADTAANVGESRWMTGDFQFIG
AHADLAIVLGGDGTMLNAARHLARYKVPLVGVNQGRLGFMTDIARCDMLSCMEDLLDGRF
VPEERLILDAEVIRDGKEVCANQALNDVVMDKGAIGRMIEFELFIDGEFIYNLRADGLII
STPTGSTAYALSANGPILHPTLGGIALVPLCPHSLTNRPITVSDRCEIELRVIQSADARV
HFDGQVAFDIRPDDCVRMRRSAYNVCFLHPPGYSYFAMLRQKLHWSKRPKGP

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