SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 207714 MicrobesOnline__882:207714 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

P46354 Purine nucleoside phosphorylase 1; PNP 1; Inosine phosphorylase; Inosine-guanosine phosphorylase; Purine nucleoside phosphorylase I; PNP I; Pu-NPase I; EC 2.4.2.1 from Bacillus subtilis (strain 168) (see paper)
50% identity, 97% coverage: 5:271/274 of query aligns to 3:267/271 of P46354

query
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P46354

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S28 (≠ T32) modified: Phosphoserine

4m1eB Crystal structure of purine nucleoside phosphorylase i from planctomyces limnophilus dsm 3776, nysgrc target 029364.
50% identity, 96% coverage: 11:274/274 of query aligns to 10:272/273 of 4m1eB

query
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4m1eB

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active site: T30 (= T32), H61 (= H63), H83 (= H85), Y85 (= Y87), E86 (= E88), A113 (= A115), M211 (= M213), S212 (= S214), D235 (≠ N237), C237 (≠ N239), L247 (= L249)
binding pyridine-2-carboxylic acid: N118 (= N120), Q120 (= Q122), L121 (≠ F123), R169 (≠ M171), H178 (≠ R180), P180 (≠ E182), P180 (≠ E182), K181 (≠ R183)
binding adenine: A113 (= A115), A114 (= A116), G115 (= G117), L192 (≠ M194), E193 (= E195), Y198 (≠ T200), V209 (= V211), G210 (= G212), M211 (= M213), T234 (≠ S236), D235 (≠ N237)

4lnaA Crystal structure of purine nucleoside phosphorylase i from spirosoma linguale dsm 74, nysgrc target 029362
49% identity, 97% coverage: 5:271/274 of query aligns to 4:266/269 of 4lnaA

query
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4lnaA

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active site: T29 (= T32), H79 (= H85), Y81 (= Y87), E82 (= E88), A109 (= A115), M208 (= M213), S209 (= S214), D232 (≠ N237), C234 (≠ N239), L244 (= L249)
binding adenine: A109 (= A115), A110 (= A116), G111 (= G117), L189 (≠ M194), E190 (= E195), Y195 (≠ T200), V206 (= V211), G207 (= G212), M208 (= M213), T231 (≠ S236), D232 (≠ N237)

4earA Crystal structure of purine nucleoside phosphorylase (w16y, w94y, w178y, h257w) mutant from human complexed with dadme-immg and phosphate (see paper)
47% identity, 92% coverage: 24:274/274 of query aligns to 22:279/283 of 4earA

query
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active site: S30 (≠ T32), H61 (= H63), H83 (= H85), Y85 (= Y87), E86 (= E88), A113 (= A115), M216 (= M213), S217 (= S214), N240 (= N237), V242 (≠ N239), W254 (≠ L249)
binding 2-amino-7-{[(3R,4R)-3-hydroxy-4-(hydroxymethyl)pyrrolidin-1-yl]methyl}-3,5-dihydro-4H-pyrrolo[3,2-d]pyrimidin-4-one: S30 (≠ T32), H83 (= H85), Y85 (= Y87), A113 (= A115), A114 (= A116), G115 (= G117), F197 (≠ M194), E198 (= E195), V214 (= V211), G215 (= G212), M216 (= M213), T239 (≠ S236), N240 (= N237), W254 (≠ L249), V257 (= V252)
binding phosphate ion: G29 (= G31), S30 (≠ T32), H61 (= H63), R81 (= R83), H83 (= H85), N112 (= N114), A113 (= A115), S217 (= S214)

3inyA Crystal structure of human purine nucleoside phosphorylase in complex with 7-deazaguanine (see paper)
47% identity, 92% coverage: 24:274/274 of query aligns to 24:281/288 of 3inyA

query
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3inyA

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M

F

A

H

A

L

L

L

G

G

A

V

A

D

T

T

L

L

V

V

I

V

T

T

N

N

A
|
A

G
|
G

A

G

L

L

N

N

P

P

Q

K

F

F

D

E

A

V

G

G

D

D

L

I

M

M

C

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

T

N

P

P

L

L

A

R

G

G

P

P

N

N

H

D

D

E

A

R

W

F

G

G

P

D

R

R

F

F

P

P

D

A

M

M

S

S

A

D

P

A

Y

Y

A

D

P

R

G

T

L

M

V

R

Q

Q

L

R

A

A

M

L

R

S

E

T

A

W

G

K

Q

Q

L

M

G

G

I

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

H

A

G

G

P

P

Q

S

M
x
F

E
|
E

T

T

P

V

A

A

E

E

T

C

R

R

M

V

F

L

R

Q

T

K

L

L

G

G

A

A

D

D

A

A

V
|
V

G
|
G

M
|
M

S
|
S

T

T

V

V

L

P

E

E

V

V

I

I

A

V

A

A

R

R

H

H

L

C

G

G

M

L

K

R

V

V

L

F

G

G

I

F

S

S

C

L

L

I

S
x
T

N
|
N

K

K

N
x
V

L

I

P

M

D

D

-

Y

-

E

C

S

M

L

E

E

E

K

A

A

P

N

L
x
H

E

E

V

V

I

L

R

A

V

A

A

G

G

K

M

Q

A

A

G

A

E

Q

R

K

L

L

T

E

R

Q

L

F

V

V

A

S

A

I

I

L

V

M

P

A

H

S

I

I

active site: S32 (≠ T32), H63 (= H63), H85 (= H85), Y87 (= Y87), E88 (= E88), A115 (= A115), M218 (= M213), S219 (= S214), N242 (= N237), V244 (≠ N239), H256 (≠ L249)
binding 7-deazaguanine: A115 (= A115), A116 (= A116), G117 (= G117), F199 (≠ M194), E200 (= E195), V216 (= V211), G217 (= G212), M218 (= M213), T241 (≠ S236), N242 (= N237)

3d1vA Crystal structure of human pnp complexed with 2-mercapto(3h) quinazolinone (see paper)
47% identity, 92% coverage: 24:274/274 of query aligns to 24:281/288 of 3d1vA

query
sites
3d1vA

P

P

R

Q

V

V

G

A

I

I

V

I

L

C

G

G

T
x
S

G

G

L

L

G

G

A

G

L

L

A

T

N

D

A

K

V

L

T

T

S

Q

P

A

V

Q

A

I

I

F

P

D

Y

Y

E

S

S

E

L

I

P

P

G

N

F

F

P

P

R

R

S

S

T

T

V

V

A

P

S

G

H
|
H

A

A

G

G

S

R

F

L

L

V

C

F

G

G

F

F

L

L

G

N

G

G

A

R

P

A

V

C

V

V

L

M

Q

M

Q

Q

G

G

R

R

C

F

H
|
H

L

M

Y
|
Y

E
|
E

G

G

Y

Y

Q

P

P

L

E

W

D

K

V

V

C

T

M

F

G

P

V

V

R

R

V

V

M

F

A

H

A

L

L

L

G

G

A

V

A

D

T

T

L

L

V

V

I

V

T

T

N

N

A
|
A

G
|
G

A

G

L

L

N

N

P

P

Q

K

F

F

D

E

A

V

G

G

D

D

L

I

M

M

C

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

T

N

P

P

L

L

A

R

G

G

P

P

N

N

H

D

D

E

A

R

W

F

G

G

P

D

R

R

F

F

P

P

D

A

M

M

S

S

A

D

P

A

Y

Y

A

D

P

R

G

T

L

M

V

R

Q

Q

L

R

A

A

M

L

R

S

E

T

A

W

G

K

Q

Q

L

M

G

G

I

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

H

A

G

G

P

P

Q

S

M
x
F

E
|
E

T

T

P

V

A

A

E

E

T

C

R

R

M

V

F

L

R

Q

T

K

L

L

G

G

A

A

D

D

A

A

V
|
V

G
|
G

M
|
M

S
|
S

T

T

V

V

L

P

E

E

V

V

I

I

A

V

A

A

R

R

H

H

L

C

G

G

M

L

K

R

V

V

L

F

G

G

I

F

S

S

C

L

L

I

S
x
T

N
|
N

K

K

N
x
V

L

I

P

M

D

D

-

Y

-

E

C

S

M

L

E

E

E

K

A

A

P

N

L
x
H

E

E

V

V

I

L

R

A

V

A

A

G

G

K

M

Q

A

A

G

A

E

Q

R

K

L

L

T

E

R

Q

L

F

V

V

A

S

A

I

I

L

V

M

P

A

H

S

I

I

active site: S32 (≠ T32), H63 (= H63), H85 (= H85), Y87 (= Y87), E88 (= E88), A115 (= A115), M218 (= M213), S219 (= S214), N242 (= N237), V244 (≠ N239), H256 (≠ L249)
binding 2-mercapto(3H)quinazolinone: A115 (= A115), A116 (= A116), G117 (= G117), F199 (≠ M194), E200 (= E195), V216 (= V211), G217 (= G212), M218 (= M213), T241 (≠ S236), N242 (= N237), V244 (≠ N239)

1yryE Crystal structure of human pnp complexed with mesg (see paper)
47% identity, 92% coverage: 24:274/274 of query aligns to 24:281/288 of 1yryE

query
sites
1yryE

P

P

R

Q

V

V

G

A

I

I

V

I

L

C

G

G

T
x
S

G

G

L

L

G

G

A

G

L

L

A

T

N

D

A

K

V

L

T

T

S

Q

P

A

V

Q

A

I

I

F

P

D

Y

Y

E

S

S

E

L

I

P

P

G

N

F

F

P

P

R

R

S

S

T

T

V

V

A

P

S

G

H
|
H

A

A

G

G

S

R

F

L

L

V

C

F

G

G

F

F

L

L

G

N

G

G

A

R

P

A

V

C

V

V

L

M

Q

M

Q

Q

G

G

R

R

C

F

H
|
H

L

M

Y
|
Y

E
|
E

G

G

Y

Y

Q

P

P

L

E

W

D

K

V

V

C

T

M

F

G

P

V

V

R

R

V

V

M

F

A

H

A

L

L

L

G

G

A

V

A

D

T

T

L

L

V

V

I

V

T

T

N

N

A
|
A

G
|
G

A

G

L

L

N

N

P

P

Q

K

F

F

D

E

A

V

G

G

D

D

L

I

M

M

C

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

T

N

P

P

L

L

A

R

G

G

P

P

N

N

H

D

D

E

A

R

W

F

G

G

P

D

R

R

F

F

P

P

D

A

M

M

S

S

A

D

P

A

Y

Y

A

D

P

R

G

T

L

M

V

R

Q

Q

L

R

A

A

M

L

R

S

E

T

A

W

G

K

Q

Q

L

M

G

G

I

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

H

A

G

G

P

P

Q

S

M
x
F

E
|
E

T

T

P

V

A

A

E

E

T

C

R

R

M

V

F

L

R

Q

T

K

L

L

G

G

A

A

D

D

A

A

V
|
V

G
|
G

M
|
M

S
|
S

T

T

V

V

L

P

E

E

V

V

I

I

A

V

A

A

R

R

H

H

L

C

G

G

M

L

K

R

V

V

L

F

G

G

I

F

S

S

C

L

L

I

S
x
T

N
|
N

K

K

N

V

L

I

P

M

D

D

-

Y

-

E

C

S

M

L

E

E

E

K

A

A

P

N

L
x
H

E

E

V

V

I

L

R

A

V

A

A

G

G

K

M

Q

A

A

G

A

E

Q

R

K

L

L

T

E

R

Q

L

F

V

V

A

S

A

I

I

L

V

M

P

A

H

S

I

I

active site: S32 (≠ T32), H63 (= H63), H85 (= H85), Y87 (= Y87), E88 (= E88), A115 (= A115), M218 (= M213), S219 (= S214), N242 (= N237), H256 (≠ L249)
binding 7-methyl-6-thio-guanosine: S32 (≠ T32), H85 (= H85), Y87 (= Y87), A115 (= A115), A116 (= A116), G117 (= G117), F199 (≠ M194), E200 (= E195), V216 (= V211), G217 (= G212), M218 (= M213), T241 (≠ S236), N242 (= N237), H256 (≠ L249)

1v45E Crystal structure of human pnp complexed with 3-deoxyguanosine (see paper)
47% identity, 92% coverage: 24:274/274 of query aligns to 24:281/288 of 1v45E

query
sites
1v45E

P

P

R

Q

V

V

G

A

I

I

V

I

L

C

G

G

T
x
S

G

G

L

L

G

G

A

G

L

L

A

T

N

D

A

K

V

L

T

T

S

Q

P

A

V

Q

A

I

I

F

P

D

Y

Y

E

S

S

E

L

I

P

P

G

N

F

F

P

P

R

R

S

S

T

T

V

V

A

P

S

G

H
|
H

A

A

G

G

S

R

F

L

L

V

C

F

G

G

F

F

L

L

G

N

G

G

A

R

P

A

V

C

V

V

L

M

Q

M

Q

Q

G

G

R

R

C

F

H

H

L

M

Y
|
Y

E

E

G

G

Y

Y

Q

P

P

L

E

W

D

K

V

V

C

T

M

F

G

P

V

V

R

R

V

V

M

F

A

H

A

L

L

L

G

G

A

V

A

D

T

T

L

L

V

V

I

V

T

T

N

N

A
|
A

G
|
G

A

G

L

L

N

N

P

P

Q

K

F

F

D

E

A

V

G

G

D

D

L

I

M

M

C

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

T

N

P

P

L

L

A

R

G

G

P

P

N

N

H

D

D

E

A

R

W

F

G

G

P

D

R

R

F

F

P

P

D

A

M

M

S

S

A

D

P

A

Y

Y

A

D

P

R

G

T

L

M

V

R

Q

Q

L

R

A

A

M

L

R

S

E

T

A

W

G

K

Q

Q

L

M

G

G

I

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

H

A

G

G

P

P

Q

S

M
x
F

E
|
E

T

T

P

V

A

A

E

E

T

C

R

R

M

V

F

L

R

Q

T

K

L

L

G

G

A

A

D

D

A

A

V
|
V

G
|
G

M
|
M

S
|
S

T

T

V

V

L

P

E

E

V

V

I

I

A

V

A

A

R

R

H

H

L

C

G

G

M

L

K

R

V

V

L

F

G

G

I

F

S

S

C

L

L

I

S
x
T

N
|
N

K

K

N
x
V

L

I

P

M

D

D

-

Y

-

E

C

S

M

L

E

E

E

K

A

A

P

N

L
x
H

E

E

V

V

I

L

R

A

V

A

A

G

G

K

M

Q

A

A

G

A

E

Q

R

K

L

L

T

E

R

Q

L

F

V

V

A

S

A

I

I

L

V

M

P

A

H

S

I

I

active site: S32 (≠ T32), H63 (= H63), Y87 (= Y87), A115 (= A115), M218 (= M213), S219 (= S214), H256 (≠ L249)
binding 9-(3-deoxy-beta-d-ribofuranosyl)guanine: Y87 (= Y87), A115 (= A115), A116 (= A116), G117 (= G117), F199 (≠ M194), E200 (= E195), V216 (= V211), G217 (= G212), M218 (= M213), T241 (≠ S236), N242 (= N237), V244 (≠ N239), H256 (≠ L249)

1v41E Crystal structure of human pnp complexed with 8-azaguanine (see paper)
47% identity, 92% coverage: 24:274/274 of query aligns to 24:281/288 of 1v41E

query
sites
1v41E

P

P

R

Q

V

V

G

A

I

I

V

I

L

C

G

G

T
x
S

G

G

L

L

G

G

A

G

L

L

A

T

N

D

A

K

V

L

T

T

S

Q

P

A

V

Q

A

I

I

F

P

D

Y

Y

E

S

S

E

L

I

P

P

G

N

F

F

P

P

R

R

S

S

T

T

V

V

A

P

S

G

H
|
H

A

A

G

G

S

R

F

L

L

V

C

F

G

G

F

F

L

L

G

N

G

G

A

R

P

A

V

C

V

V

L

M

Q

M

Q

Q

G

G

R

R

C

F

H

H

L

M

Y
|
Y

E

E

G

G

Y

Y

Q

P

P

L

E

W

D

K

V

V

C

T

M

F

G

P

V

V

R

R

V

V

M

F

A

H

A

L

L

L

G

G

A

V

A

D

T

T

L

L

V

V

I

V

T

T

N

N

A
|
A

G
|
G

A

G

L

L

N

N

P

P

Q

K

F

F

D

E

A

V

G

G

D

D

L

I

M

M

C

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

T

N

P

P

L

L

A

R

G

G

P

P

N

N

H

D

D

E

A

R

W

F

G

G

P

D

R

R

F

F

P

P

D

A

M

M

S

S

A

D

P

A

Y

Y

A

D

P

R

G

T

L

M

V

R

Q

Q

L

R

A

A

M

L

R

S

E

T

A

W

G

K

Q

Q

L

M

G

G

I

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

H

A

G

G

P

P

Q

S

M
x
F

E
|
E

T

T

P

V

A

A

E

E

T

C

R

R

M

V

F

L

R

Q

T

K

L

L

G

G

A

A

D

D

A

A

V
|
V

G
|
G

M
|
M

S
|
S

T

T

V

V

L

P

E

E

V

V

I

I

A

V

A

A

R

R

H

H

L

C

G

G

M

L

K

R

V

V

L

F

G

G

I

F

S

S

C

L

L

I

S
x
T

N
|
N

K

K

N

V

L

I

P

M

D

D

-

Y

-

E

C

S

M

L

E

E

E

K

A

A

P

N

L
x
H

E

E

V
|
V

I

L

R

A

V

A

A

G

G

K

M

Q

A

A

G

A

E

Q

R

K

L

L

T

E

R

Q

L

F

V

V

A

S

A

I

I

L

V

M

P

A

H

S

I

I

active site: S32 (≠ T32), H63 (= H63), Y87 (= Y87), A115 (= A115), M218 (= M213), S219 (= S214), H256 (≠ L249)
binding 5-amino-1h-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol: A115 (= A115), A116 (= A116), G117 (= G117), F199 (≠ M194), E200 (= E195), V216 (= V211), G217 (= G212), M218 (= M213), T241 (≠ S236), N242 (= N237), V259 (= V252)

1v3qE Structure of human pnp complexed with ddi (see paper)
47% identity, 92% coverage: 24:274/274 of query aligns to 24:281/288 of 1v3qE

query
sites
1v3qE

P

P

R

Q

V

V

G

A

I

I

V

I

L

C

G

G

T
x
S

G

G

L

L

G

G

A

G

L

L

A

T

N

D

A

K

V

L

T

T

S

Q

P

A

V

Q

A

I

I

F

P

D

Y

Y

E

S

S

E

L

I

P

P

G

N

F

F

P

P

R

R

S

S

T

T

V

V

A

P

S

G

H
|
H

A

A

G

G

S

R

F

L

L

V

C

F

G

G

F

F

L

L

G

N

G

G

A

R

P

A

V

C

V

V

L

M

Q

M

Q

Q

G

G

R

R

C

F

H

H

L

M

Y
|
Y

E

E

G

G

Y

Y

Q

P

P

L

E

W

D

K

V

V

C

T

M

F

G

P

V

V

R

R

V

V

M

F

A

H

A

L

L

L

G

G

A

V

A

D

T

T

L

L

V

V

I

V

T

T

N

N

A
|
A

G
|
G

A

G

L

L

N

N

P

P

Q

K

F

F

D

E

A

V

G

G

D

D

L

I

M

M

C

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

T

N

P

P

L

L

A

R

G

G

P

P

N

N

H

D

D

E

A

R

W

F

G

G

P

D

R

R

F

F

P

P

D

A

M

M

S

S

A

D

P

A

Y

Y

A

D

P

R

G

T

L

M

V

R

Q

Q

L

R

A

A

M

L

R

S

E

T

A

W

G

K

Q

Q

L

M

G

G

I

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

H

A

G

G

P

P

Q

S

M
x
F

E
|
E

T

T

P

V

A

A

E

E

T

C

R

R

M

V

F

L

R

Q

T

K

L

L

G

G

A

A

D

D

A

A

V
|
V

G
|
G

M
|
M

S
|
S

T

T

V

V

L

P

E

E

V

V

I

I

A

V

A

A

R

R

H

H

L

C

G

G

M

L

K

R

V

V

L

F

G

G

I

F

S

S

C

L

L

I

S
x
T

N
|
N

K

K

N

V

L

I

P

M

D

D

-

Y

-

E

C

S

M

L

E

E

E

K

A

A

P

N

L
x
H

E

E

V

V

I

L

R

A

V

A

A

G

G

K

M

Q

A

A

G

A

E

Q

R

K

L

L

T

E

R

Q

L

F

V

V

A

S

A

I

I

L

V

M

P

A

H

S

I

I

active site: S32 (≠ T32), H63 (= H63), Y87 (= Y87), A115 (= A115), M218 (= M213), S219 (= S214), H256 (≠ L249)
binding 9-[(2r,5r)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6h-purin-6-one: A115 (= A115), A116 (= A116), G117 (= G117), F199 (≠ M194), E200 (= E195), V216 (= V211), G217 (= G212), M218 (= M213), T241 (≠ S236), N242 (= N237), H256 (≠ L249)

1v2hE Crystal structure of human pnp complexed with guanine (see paper)
47% identity, 92% coverage: 24:274/274 of query aligns to 24:281/288 of 1v2hE

query
sites
1v2hE

P

P

R

Q

V

V

G

A

I

I

V

I

L

C

G

G

T
x
S

G

G

L

L

G

G

A

G

L

L

A

T

N

D

A

K

V

L

T

T

S

Q

P

A

V

Q

A

I

I

F

P

D

Y

Y

E

S

S

E

L

I

P

P

G

N

F

F

P

P

R

R

S

S

T

T

V

V

A

P

S

G

H
|
H

A

A

G

G

S

R

F

L

L

V

C

F

G

G

F

F

L

L

G

N

G

G

A

R

P

A

V

C

V

V

L

M

Q

M

Q

Q

G

G

R

R

C

F

H

H

L

M

Y
|
Y

E

E

G

G

Y

Y

Q

P

P

L

E

W

D

K

V

V

C

T

M

F

G

P

V

V

R

R

V

V

M

F

A

H

A

L

L

L

G

G

A

V

A

D

T

T

L

L

V

V

I

V

T

T

N

N

A
|
A

G
|
G

A

G

L

L

N

N

P

P

Q

K

F

F

D

E

A

V

G

G

D

D

L

I

M

M

C

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

T

N

P

P

L

L

A

R

G

G

P

P

N

N

H

D

D

E

A

R

W

F

G

G

P

D

R

R

F

F

P

P

D

A

M

M

S

S

A

D

P

A

Y

Y

A

D

P

R

G

T

L

M

V

R

Q

Q

L

R

A

A

M

L

R

S

E

T

A

W

G

K

Q

Q

L

M

G

G

I

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

H

A

G

G

P

P

Q

S

M
x
F

E
|
E

T

T

P

V

A

A

E

E

T

C

R

R

M

V

F

L

R

Q

T

K

L

L

G

G

A

A

D

D

A

A

V
|
V

G

G

M
|
M

S
|
S

T

T

V

V

L

P

E

E

V

V

I

I

A

V

A

A

R

R

H

H

L

C

G

G

M

L

K

R

V

V

L

F

G

G

I

F

S

S

C

L

L

I

S
x
T

N
|
N

K

K

N

V

L

I

P

M

D

D

-

Y

-

E

C

S

M

L

E

E

E

K

A

A

P

N

L
x
H

E

E

V

V

I

L

R

A

V

A

A

G

G

K

M

Q

A

A

G

A

E

Q

R

K

L

L

T

E

R

Q

L

F

V

V

A

S

A

I

I

L

V

M

P

A

H

S

I

I

active site: S32 (≠ T32), H63 (= H63), Y87 (= Y87), A115 (= A115), M218 (= M213), S219 (= S214), H256 (≠ L249)
binding guanine: A115 (= A115), A116 (= A116), G117 (= G117), F199 (≠ M194), E200 (= E195), V216 (= V211), M218 (= M213), T241 (≠ S236), N242 (= N237)

1rfgE Crystal structure of human purine nucleoside phosphorylase complexed with guanosine (see paper)
47% identity, 92% coverage: 24:274/274 of query aligns to 24:281/288 of 1rfgE

query
sites
1rfgE

P

P

R

Q

V

V

G

A

I

I

V

I

L

C

G

G

T
x
S

G

G

L

L

G

G

A

G

L

L

A

T

N

D

A

K

V

L

T

T

S

Q

P

A

V

Q

A

I

I

F

P

D

Y

Y

E

S

S

E

L

I

P

P

G

N

F

F

P

P

R

R

S

S

T

T

V

V

A

P

S

G

H
|
H

A

A

G

G

S

R

F

L

L

V

C

F

G

G

F

F

L

L

G

N

G

G

A

R

P

A

V

C

V

V

L

M

Q

M

Q

Q

G

G

R

R

C

F

H
|
H

L

M

Y
|
Y

E

E

G

G

Y

Y

Q

P

P

L

E

W

D

K

V

V

C

T

M

F

G

P

V

V

R

R

V

V

M

F

A

H

A

L

L

L

G

G

A

V

A

D

T

T

L

L

V

V

I

V

T

T

N

N

A
|
A

G
|
G

A

G

L

L

N

N

P

P

Q

K

F

F

D

E

A

V

G

G

D

D

L

I

M

M

C

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

T

N

P

P

L

L

A

R

G

G

P

P

N

N

H

D

D

E

A

R

W

F

G

G

P

D

R

R

F

F

P

P

D

A

M

M

S

S

A

D

P

A

Y

Y

A

D

P

R

G

T

L

M

V

R

Q

Q

L

R

A

A

M

L

R

S

E

T

A

W

G

K

Q

Q

L

M

G

G

I

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

H

A

G

G

P

P

Q

S

M
x
F

E
|
E

T

T

P

V

A

A

E

E

T

C

R

R

M

V

F

L

R

Q

T

K

L

L

G

G

A

A

D

D

A

A

V
|
V

G
|
G

M
|
M

S
|
S

T

T

V

V

L

P

E

E

V

V

I

I

A

V

A

A

R

R

H

H

L

C

G

G

M

L

K

R

V

V

L

F

G

G

I

F

S

S

C

L

L

I

S
x
T

N
|
N

K

K

N
x
V

L

I

P

M

D

D

-

Y

-

E

C

S

M

L

E

E

E

K

A

A

P

N

L
x
H

E

E

V

V

I

L

R

A

V

A

A

G

G

K

M

Q

A

A

G

A

E

Q

R

K

L

L

T

E

R

Q

L

F

V

V

A

S

A

I

I

L

V

M

P

A

H

S

I

I

active site: S32 (≠ T32), H63 (= H63), Y87 (= Y87), A115 (= A115), M218 (= M213), S219 (= S214), H256 (≠ L249)
binding guanosine: H85 (= H85), Y87 (= Y87), A115 (= A115), A116 (= A116), G117 (= G117), F199 (≠ M194), E200 (= E195), V216 (= V211), G217 (= G212), M218 (= M213), T241 (≠ S236), N242 (= N237), V244 (≠ N239), H256 (≠ L249)

1rctE Crystal structure of human purine nucleoside phosphorylase complexed with inosine (see paper)
47% identity, 92% coverage: 24:274/274 of query aligns to 24:281/288 of 1rctE

query
sites
1rctE

P

P

R

Q

V

V

G

A

I

I

V

I

L

C

G

G

T
x
S

G

G

L

L

G

G

A

G

L

L

A

T

N

D

A

K

V

L

T

T

S

Q

P

A

V

Q

A

I

I

F

P

D

Y

Y

E

S

S

E

L

I

P

P

G

N

F

F

P

P

R

R

S

S

T

T

V

V

A

P

S

G

H
|
H

A

A

G

G

S

R

F

L

L

V

C

F

G

G

F

F

L

L

G

N

G

G

A

R

P

A

V

C

V

V

L

M

Q

M

Q

Q

G

G

R

R

C

F

H
|
H

L

M

Y
|
Y

E

E

G

G

Y

Y

Q

P

P

L

E

W

D

K

V

V

C

T

M

F

G

P

V

V

R

R

V

V

M

F

A

H

A

L

L

L

G

G

A

V

A

D

T

T

L

L

V

V

I

V

T

T

N

N

A
|
A

G
|
G

A

G

L

L

N

N

P

P

Q

K

F

F

D

E

A

V

G

G

D

D

L

I

M

M

C

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

T

N

P

P

L

L

A

R

G

G

P

P

N

N

H

D

D

E

A

R

W

F

G

G

P

D

R

R

F

F

P

P

D

A

M

M

S

S

A

D

P

A

Y

Y

A

D

P

R

G

T

L

M

V

R

Q

Q

L

R

A

A

M

L

R

S

E

T

A

W

G

K

Q

Q

L

M

G

G

I

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

H

A

G

G

P

P

Q

S

M
x
F

E
|
E

T

T

P

V

A

A

E

E

T

C

R

R

M

V

F

L

R

Q

T

K

L

L

G

G

A

A

D

D

A

A

V
|
V

G
|
G

M
|
M

S
|
S

T

T

V

V

L

P

E

E

V

V

I

I

A

V

A

A

R

R

H

H

L

C

G

G

M

L

K

R

V

V

L

F

G

G

I

F

S

S

C

L

L

I

S
x
T

N
|
N

K

K

N
x
V

L

I

P

M

D

D

-

Y

-

E

C

S

M

L

E

E

E

K

A

A

P

N

L
x
H

E

E

V

V

I

L

R

A

V

A

A

G

G

K

M

Q

A

A

G

A

E

Q

R

K

L

L

T

E

R

Q

L

F

V

V

A

S

A

I

I

L

V

M

P

A

H

S

I

I

active site: S32 (≠ T32), H63 (= H63), Y87 (= Y87), A115 (= A115), M218 (= M213), S219 (= S214), H256 (≠ L249)
binding inosine: H85 (= H85), Y87 (= Y87), A115 (= A115), A116 (= A116), G117 (= G117), F199 (≠ M194), E200 (= E195), V216 (= V211), G217 (= G212), M218 (= M213), T241 (≠ S236), N242 (= N237), V244 (≠ N239), H256 (≠ L249)

1pwyE Crystal structure of human pnp complexed with acyclovir (see paper)
47% identity, 92% coverage: 24:274/274 of query aligns to 24:281/288 of 1pwyE

query
sites
1pwyE

P

P

R

Q

V

V

G

A

I

I

V

I

L

C

G

G

T
x
S

G

G

L

L

G

G

A

G

L

L

A

T

N

D

A

K

V

L

T

T

S

Q

P

A

V

Q

A

I

I

F

P

D

Y

Y

E

S

S

E

L

I

P

P

G

N

F

F

P

P

R

R

S

S

T

T

V

V

A

P

S

G

H
|
H

A

A

G

G

S

R

F

L

L

V

C

F

G

G

F

F

L

L

G

N

G

G

A

R

P

A

V

C

V

V

L

M

Q

M

Q

Q

G

G

R

R

C

F

H

H

L

M

Y
|
Y

E

E

G

G

Y

Y

Q

P

P

L

E

W

D

K

V

V

C

T

M

F

G

P

V

V

R

R

V

V

M

F

A

H

A

L

L

L

G

G

A

V

A

D

T

T

L

L

V

V

I

V

T

T

N

N

A
|
A

G
|
G

A

G

L

L

N

N

P

P

Q

K

F

F

D

E

A

V

G

G

D

D

L

I

M

M

C

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

T

N

P

P

L

L

A

R

G

G

P

P

N

N

H

D

D

E

A

R

W

F

G

G

P

D

R

R

F

F

P

P

D

A

M

M

S

S

A

D

P

A

Y

Y

A

D

P

R

G

T

L

M

V

R

Q

Q

L

R

A

A

M

L

R

S

E

T

A

W

G

K

Q

Q

L

M

G

G

I

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

H

A

G

G

P

P

Q

S

M
x
F

E
|
E

T

T

P

V

A

A

E

E

T

C

R

R

M

V

F

L

R

Q

T

K

L

L

G

G

A

A

D

D

A

A

V
|
V

G

G

M
|
M

S
|
S

T

T

V

V

L

P

E

E

V

V

I

I

A

V

A

A

R

R

H

H

L

C

G

G

M

L

K

R

V

V

L

F

G

G

I

F

S

S

C

L

L

I

S
x
T

N
|
N

K

K

N

V

L

I

P

M

D

D

-

Y

-

E

C

S

M

L

E

E

E

K

A
|
A

P

N

L
x
H

E

E

V

V

I

L

R

A

V

A

A

G

G

K

M

Q

A

A

G

A

E

Q

R

K

L

L

T

E

R

Q

L

F

V

V

A

S

A

I

I

L

V

M

P

A

H

S

I

I

active site: S32 (≠ T32), H63 (= H63), Y87 (= Y87), A115 (= A115), M218 (= M213), S219 (= S214), H256 (≠ L249)
binding 9-hyroxyethoxymethylguanine: A115 (= A115), A116 (= A116), G117 (= G117), F199 (≠ M194), E200 (= E195), V216 (= V211), M218 (= M213), T241 (≠ S236), N242 (= N237), A254 (= A247), H256 (≠ L249)

1pf7E Crystal structure of human pnp complexed with immucillin h (see paper)
47% identity, 92% coverage: 24:274/274 of query aligns to 24:281/288 of 1pf7E

query
sites
1pf7E

P

P

R

Q

V

V

G

A

I

I

V

I

L

C

G

G

T
x
S

G

G

L

L

G

G

A

G

L

L

A

T

N

D

A

K

V

L

T

T

S

Q

P

A

V

Q

A

I

I

F

P

D

Y

Y

E

S

S

E

L

I

P

P

G

N

F

F

P

P

R

R

S

S

T

T

V

V

A

P

S

G

H
|
H

A

A

G

G

S

R

F

L

L

V

C

F

G

G

F

F

L

L

G

N

G

G

A

R

P

A

V

C

V

V

L

M

Q

M

Q

Q

G

G

R

R

C

F

H
|
H

L

M

Y
|
Y

E
|
E

G

G

Y

Y

Q

P

P

L

E

W

D

K

V

V

C

T

M

F

G

P

V

V

R

R

V

V

M

F

A

H

A

L

L

L

G

G

A

V

A

D

T

T

L

L

V

V

I

V

T

T

N

N

A
|
A

G
|
G

A

G

L

L

N

N

P

P

Q

K

F

F

D

E

A

V

G

G

D

D

L

I

M

M

C

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

T

N

P

P

L

L

A

R

G

G

P

P

N

N

H

D

D

E

A

R

W

F

G

G

P

D

R

R

F

F

P

P

D

A

M

M

S

S

A

D

P

A

Y

Y

A

D

P

R

G

T

L

M

V

R

Q

Q

L

R

A

A

M

L

R

S

E

T

A

W

G

K

Q

Q

L

M

G

G

I

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

H

A

G

G

P

P

Q

S

M
x
F

E
|
E

T

T

P

V

A

A

E

E

T

C

R

R

M

V

F

L

R

Q

T

K

L

L

G

G

A

A

D

D

A

A

V
|
V

G
|
G

M
|
M

S
|
S

T

T

V

V

L

P

E

E

V

V

I

I

A

V

A

A

R

R

H

H

L

C

G

G

M

L

K

R

V

V

L

F

G

G

I

F

S

S

C

L

L

I

S
x
T

N
|
N

K

K

N

V

L

I

P

M

D

D

-

Y

-

E

C

S

M

L

E

E

E

K

A

A

P

N

L
x
H

E

E

V

V

I

L

R

A

V

A

A

G

G

K

M

Q

A

A

G

A

E

Q

R

K

L

L

T

E

R

Q

L

F

V

V

A

S

A

I

I

L

V

M

P

A

H

S

I

I

active site: S32 (≠ T32), H63 (= H63), H85 (= H85), Y87 (= Y87), E88 (= E88), A115 (= A115), M218 (= M213), S219 (= S214), N242 (= N237), H256 (≠ L249)
binding 1,4-dideoxy-4-aza-1-(s)-(9-deazahypoxanthin-9-yl)-d-ribitol: S32 (≠ T32), H85 (= H85), Y87 (= Y87), A115 (= A115), A116 (= A116), G117 (= G117), F199 (≠ M194), E200 (= E195), V216 (= V211), G217 (= G212), M218 (= M213), T241 (≠ S236), N242 (= N237), H256 (≠ L249)

1rszA Structure of human purine nucleoside phosphorylase in complex with dadme-immucillin-h and sulfate
47% identity, 92% coverage: 24:274/274 of query aligns to 23:280/282 of 1rszA

query
sites
1rszA

P

P

R

Q

V

V

G

A

I

I

V

I

L

C

G

G

T
x
S

G

G

L

L

G

G

A

G

L

L

A

T

N

D

A

K

V

L

T

T

S

Q

P

A

V

Q

A

I

I

F

P

D

Y

Y

E

S

S

E

L

I

P

P

G

N

F

F

P

P

R

R

S

S

T

T

V

V

A

P

S

G

H
|
H

A

A

G

G

S

R

F

L

L

V

C

F

G

G

F

F

L

L

G

N

G

G

A

R

P

A

V

C

V

V

L

M

Q

M

Q

Q

G

G

R

R

C

F

H
|
H

L

M

Y
|
Y

E
|
E

G

G

Y

Y

Q

P

P

L

E

W

D

K

V

V

C

T

M

F

G

P

V

V

R

R

V

V

M

F

A

H

A

L

L

L

G

G

A

V

A

D

T

T

L

L

V

V

I

V

T

T

N

N

A
|
A

G
|
G

A

G

L

L

N

N

P

P

Q

K

F

F

D

E

A

V

G

G

D

D

L

I

M

M

C

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

T

N

P

P

L

L

A

R

G

G

P

P

N

N

H

D

D

E

A

R

W

F

G

G

P

D

R

R

F

F

P

P

D

A

M

M

S

S

A

D

P

A

Y

Y

A

D

P

R

G

T

L

M

V

R

Q

Q

L

R

A

A

M

L

R

S

E

T

A

W

G

K

Q

Q

L

M

G

G

I

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

H

A

G

G

P

P

Q

S

M
x
F

E
|
E

T

T

P

V

A

A

E

E

T

C

R

R

M

V

F

L

R

Q

T

K

L

L

G

G

A

A

D

D

A

A

V
|
V

G
|
G

M
|
M

S
|
S

T

T

V

V

L

P

E

E

V

V

I

I

A

V

A

A

R

R

H

H

L

C

G

G

M

L

K

R

V

V

L

F

G

G

I

F

S

S

C

L

L
&n