SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 8500058 FitnessBrowser__Miya:8500058 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)

4m1eB Crystal structure of purine nucleoside phosphorylase i from planctomyces limnophilus dsm 3776, nysgrc target 029364.
49% identity, 90% coverage: 30:281/281 of query aligns to 21:272/273 of 4m1eB

query
sites
4m1eB

R

E

P

P

R

A

V

V

G

G

V

M

V

I

C

L

G

G

T
|
T

G

G

L

L

G

G

G

G

L

L

A

A

D

E

A

Q

L

I

A

E

D

Q

A

D

R

I

P

A

L

I

P

P

Y

Y

S

S

R

D

V

I

P

P

G

H

F

F

P

P

Q

T

S

S

T

T

V

V

A

K

S

S

H
|
H

E

A

G

G

R

R

F

L

L

V

F

C

G

G

R

R

I

L

G

R

T

G

V

I

E

P

V

I

V

V

L

A

Q

M

Q

E

G

G

R

R

C

F

H
|
H

L

Y

Y
|
Y

E
|
E

G

G

Y

Y

A

S

P

L

E

E

D

Q

V

V

C

T

M

F

G

P

V

V

R

R

V

V

M

M

A

K

A

A

L

M

G

G

V

V

E

K

M

T

L

L

V

L

I

V

T

T

N

N

A
|
A

A
|
A

G
|
G

A

G

L

I

N
|
N

P

P

R
x
Q

W

L

D

D

A

L

G

S

D

D

L

V

M

L

L

I

I

I

T

E

D

D

H

H

I

I

N

N

F

L

T

M

G

P

R

E

S

N

P

P

L

L

T

R

G

G

P

P

N

N

H

D

D

E

A

E

W

L

G

G

P

P

R

R

F

F

P

P

D

D

M

M

S

S

A

H

P

P

Y

Y

D

D

A

C

T

Q

L

H

G

M

R

E

I

V

A

A

M
x
R

E

Q

E

V

A

A

A

L

R

E

L

L

G

G

V

I

R
x
H

L

C

E
x
P

R

K

G

G

V

V

Y

F

V

V

G

A

V

V

P

S

G

G

P

P

Q

N

M

L

E
|
E

T

T

P

R

A

A

E

E

T

Y

R

R

M

M

Y

L

R

K

Q

L

L

M

G

G

A

A

D

D

A

V

V
|
V

G

G

M
|
M

S
|
S

T

T

V

V

L

P

E

E

V

V

I

L

A

V

A

A

R

V

H

H

M

A

G

G

L

L

R

R

V

V

L

L

G

G

I

F

S

S

C

V

L

V

T

T

N
x
D

K

L

N
x
C

L

L

P

P

D

D

C

A

M

L

Q

E

E

P

A

V

P

E

L
|
L

E

N

E

K

V

I

I

L

R

E

V

V

A

A

G

A

E

R

A

G

G

G

D

A

K

K

L

L

T

A

R

R

L

L

V

I

A

P

A

E

V

I

V

L

E

P

R

R

V

I

active site: T30 (= T39), H61 (= H70), H83 (= H92), Y85 (= Y94), E86 (= E95), A113 (= A122), M211 (= M220), S212 (= S221), D235 (≠ N244), C237 (≠ N246), L247 (= L256)
binding pyridine-2-carboxylic acid: N118 (= N127), Q120 (≠ R129), R169 (≠ M178), H178 (≠ R187), P180 (≠ E189), P180 (≠ E189)
binding adenine: A114 (= A123), G115 (= G124), E193 (= E202), V209 (= V218), D235 (≠ N244)

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, 88% coverage: 31:278/281 of query aligns to 20:267/271 of P46354

query
sites
P46354

P

P

R

K

V

I

G

G

V

L

V

I

C

L

G

G

T
x
S

G

G

L

L

G

G

G

I

L

L

A

A

D

D

A

E

L

I

A

E

D

N

A

P

R

V

P

K

L

L

P

K

Y

Y

S

E

R

D

V

I

P

P

G

E

F

F

P

P

Q

V

S

S

T

T

V

V

A

E

S

G

H

H

E

A

G

G

R

Q

F

L

L

V

F

L

G

G

R

T

I

L

G

E

T

G

V

V

E

S

V

V

V

I

L

A

Q

M

Q

Q

G

G

R

R

C

F

H

H

L

F

Y

Y

E

E

G

G

Y

Y

A

S

P

M

E

E

D

K

V

V

C

T

M

F

G

P

V

V

R

R

V

V

M

M

A

K

A

A

L

L

G

G

V

V

E

E

M

A

L

L

V

I

I

V

T

T

N

N

A

A

A

A

G

G

A

G

L

V

N

N

P

T

R

E

W

F

D

R

A

A

G

G

D

D

L

L

M

M

L

I

I

I

T

T

D

D

H

H

I

I

N

N

F

F

T

M

G

G

R

T

S

N

P

P

L

L

T

I

G

G

P

P

N

N

H

E

D

A

A

D

W

F

G

G

P

A

R

R

F

F

P

P

D

D

M

M

S

S

A

S

P

A

Y

Y

D

D

A

K

T

D

L

L

G

S

R

S

I

L

A

A

M

E

E

K

E

I

A

A

A

K

R

D

L

L

G

N

V

I

R

P

L

I

E

Q

R

K

G

G

V

V

Y

Y

V

T

G

A

V

V

P

T

G

G

P

P

Q

S

M

Y

E

E

T

T

P

P

A

A

E

E

T

V

R

R

M

F

Y

L

R

R

Q

T

L

M

G

G

A

S

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

N

H

H

M

A

G

G

L

M

R

R

V

V

L

L

G

G

I

I

S

S

C

C

L

I

T

S

N

N

K

A

N

A

L

A

P

G

D

I

C

L

M

D

Q

Q

E

P

A

L

P

S

L

H

E

D

E

E

V

V

I

M

R

E

V

V

A

T

G

E

E

K

A

V

G

K

D

A

K

G

L

F

T

L

R

K

L

L

V

V

A

K

A

A

V

I

V

V

S28 (≠ T39) modified: Phosphoserine

4earA Crystal structure of purine nucleoside phosphorylase (w16y, w94y, w178y, h257w) mutant from human complexed with dadme-immg and phosphate (see paper)
49% identity, 90% coverage: 30:281/281 of query aligns to 21:279/283 of 4earA

query
sites
4earA

R

R

P

P

R

Q

V

V

G

A

V

I

V

I

C

C

G
|
G

T
x
S

G

G

L

L

G

G

G

G

L

L

A

T

D

D

A

K

L

L

A

T

D

Q

A

A

R

Q

P

I

L

F

P

D

Y

Y

S

S

R

E

V

I

P

P

G

N

F

F

P

P

Q

R

S

S

T

T

V

V

A

P

S

G

H
|
H

E

A

G

G

R

R

F

L

L

V

F

F

G

G

R

F

I

L

G

N

T

G

V

R

E

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

A

P

P

L

E

Y

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

V

V

E

D

M

T

L

L

V

V

I

V

T

T

N
|
N

A
|
A

A
|
A

G
|
G

A

G

L

L

N

N

P

P

R

K

W

F

D

E

A

V

G

G

D

D

L

I

M

M

L

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

S

N

P

P

L

L

T

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

D

D

A

R

T

T

L

M

G

R

R

Q

I

R

A

A

M

L

E

S

E

T

A

Y

A

K

R

Q

L

M

G

G

V

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

P

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

Y

L

R

Q

Q

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

M

C

G

G

L

L

R

R

V

V

L

F

G

G

I

F

S

S

C

L

L

I

T

T

N
|
N

K

K

N
x
V

L

I

P

M

D

D

-

Y

-

E

C

S

M

L

Q

E

E

K

A

A

P

N

L
x
W

E

E

E

E

V

V

I

L

R

A

V

A

A

G

G

K

E

Q

A

A

G

A

D

Q

K

K

L

L

T

E

R

Q

L

F

V

V

A

S

A

I

V

L

V

M

E

A

R

S

V

I

active site: S30 (≠ T39), H61 (= H70), H83 (= H92), Y85 (= Y94), E86 (= E95), A113 (= A122), M216 (= M220), S217 (= S221), N240 (= N244), V242 (≠ N246), W254 (≠ L256)
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: Y85 (= Y94), A113 (= A122), A114 (= A123), G115 (= G124), F197 (≠ M201), E198 (= E202), V214 (= V218), M216 (= M220), N240 (= N244), W254 (≠ L256)
binding phosphate ion: G29 (= G38), S30 (≠ T39), R81 (= R90), H83 (= H92), N112 (= N121), S217 (= S221)

3inyA Crystal structure of human purine nucleoside phosphorylase in complex with 7-deazaguanine (see paper)
49% identity, 90% coverage: 30:281/281 of query aligns to 23:281/288 of 3inyA

query
sites
3inyA

R

R

P

P

R

Q

V

V

G

A

V

I

V

I

C

C

G

G

T
x
S

G

G

L

L

G

G

G

G

L

L

A

T

D

D

A

K

L

L

A

T

D

Q

A

A

R

Q

P

I

L

F

P

D

Y

Y

S

S

R

E

V

I

P

P

G

N

F

F

P

P

Q

R

S

S

T

T

V

V

A

P

S

G

H
|
H

E

A

G

G

R

R

F

L

L

V

F

F

G

G

R

F

I

L

G

N

T

G

V

R

E

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

A

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

V

V

E

D

M

T

L

L

V

V

I

V

T

T

N

N

A
|
A

A
|
A

G
|
G

A

G

L

L

N

N

P

P

R

K

W

F

D

E

A

V

G

G

D

D

L

I

M

M

L

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

S

N

P

P

L

L

T

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

D

D

A

R

T

T

L

M

G

R

R

Q

I

R

A

A

M

L

E

S

E

T

A

W

A

K

R

Q

L

M

G

G

V

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

P

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

Y

L

R

Q

Q

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

M

C

G

G

L

L

R

R

V

V

L

F

G

G

I

F

S

S

C

L

L

I

T
|
T

N
|
N

K

K

N
x
V

L

I

P

M

D

D

-

Y

-

E

C

S

M

L

Q

E

E

K

A

A

P

N

L
x
H

E

E

E

E

V

V

I

L

R

A

V

A

A

G

G

K

E

Q

A

A

G

A

D

Q

K

K

L

L

T

E

R

Q

L

F

V

V

A

S

A

I

V

L

V

M

E

A

R

S

V

I

active site: S32 (≠ T39), H63 (= H70), H85 (= H92), Y87 (= Y94), E88 (= E95), A115 (= A122), M218 (= M220), S219 (= S221), N242 (= N244), V244 (≠ N246), H256 (≠ L256)
binding 7-deazaguanine: A115 (= A122), A116 (= A123), G117 (= G124), F199 (≠ M201), E200 (= E202), V216 (= V218), T241 (= T243), N242 (= N244)

3d1vA Crystal structure of human pnp complexed with 2-mercapto(3h) quinazolinone (see paper)
49% identity, 90% coverage: 30:281/281 of query aligns to 23:281/288 of 3d1vA

query
sites
3d1vA

R

R

P

P

R

Q

V

V

G

A

V

I

V

I

C

C

G

G

T
x
S

G

G

L

L

G

G

G

G

L

L

A

T

D

D

A

K

L

L

A

T

D

Q

A

A

R

Q

P

I

L

F

P

D

Y

Y

S

S

R

E

V

I

P

P

G

N

F

F

P

P

Q

R

S

S

T

T

V

V

A

P

S

G

H
|
H

E

A

G

G

R

R

F

L

L

V

F

F

G

G

R

F

I

L

G

N

T

G

V

R

E

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

A

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

V

V

E

D

M

T

L

L

V

V

I

V

T

T

N

N

A
|
A

A

A

G
|
G

A

G

L

L

N

N

P

P

R

K

W

F

D

E

A

V

G

G

D

D

L

I

M

M

L

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

S

N

P

P

L

L

T

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

D

D

A

R

T

T

L

M

G

R

R

Q

I

R

A

A

M

L

E

S

E

T

A

W

A

K

R

Q

L

M

G

G

V

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

P

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

Y

L

R

Q

Q

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

M

C

G

G

L

L

R

R

V

V

L

F

G

G

I

F

S

S

C

L

L

I

T
|
T

N
|
N

K

K

N
x
V

L

I

P

M

D

D

-

Y

-

E

C

S

M

L

Q

E

E

K

A

A

P

N

L
x
H

E

E

E

E

V

V

I

L

R

A

V

A

A

G

G

K

E

Q

A

A

G

A

D

Q

K

K

L

L

T

E

R

Q

L

F

V

V

A

S

A

I

V

L

V

M

E

A

R

S

V

I

active site: S32 (≠ T39), H63 (= H70), H85 (= H92), Y87 (= Y94), E88 (= E95), A115 (= A122), M218 (= M220), S219 (= S221), N242 (= N244), V244 (≠ N246), H256 (≠ L256)
binding 2-mercapto(3H)quinazolinone: A115 (= A122), G117 (= G124), F199 (≠ M201), E200 (= E202), V216 (= V218), T241 (= T243), N242 (= N244)

1yryE Crystal structure of human pnp complexed with mesg (see paper)
49% identity, 90% coverage: 30:281/281 of query aligns to 23:281/288 of 1yryE

query
sites
1yryE

R

R

P

P

R

Q

V

V

G

A

V

I

V

I

C

C

G

G

T
x
S

G

G

L

L

G

G

G

G

L

L

A

T

D

D

A

K

L

L

A

T

D

Q

A

A

R

Q

P

I

L

F

P

D

Y

Y

S

S

R

E

V

I

P

P

G

N

F

F

P

P

Q

R

S

S

T

T

V

V

A

P

S

G

H
|
H

E

A

G

G

R

R

F

L

L

V

F

F

G

G

R

F

I

L

G

N

T

G

V

R

E

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

A

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

V

V

E

D

M

T

L

L

V

V

I

V

T

T

N

N

A
|
A

A
|
A

G
|
G

A

G

L

L

N

N

P

P

R

K

W

F

D

E

A

V

G

G

D

D

L

I

M

M

L

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

S

N

P

P

L

L

T

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

D

D

A

R

T

T

L

M

G

R

R

Q

I

R

A

A

M

L

E

S

E

T

A

W

A

K

R

Q

L

M

G

G

V

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

P

A

G

G

P

P

Q

S

M

F

E
|
E

T

T

P

V

A

A

E

E

T

C

R

R

M

V

Y

L

R

Q

Q

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

M

C

G

G

L

L

R

R

V

V

L

F

G

G

I

F

S

S

C

L

L

I

T
|
T

N
|
N

K

K

N

V

L

I

P

M

D

D

-

Y

-

E

C

S

M

L

Q

E

E

K

A

A

P

N

L
x
H

E

E

E

E

V

V

I

L

R

A

V

A

A

G

G

K

E

Q

A

A

G

A

D

Q

K

K

L

L

T

E

R

Q

L

F

V

V

A

S

A

I

V

L

V

M

E

A

R

S

V

I

active site: S32 (≠ T39), H63 (= H70), H85 (= H92), Y87 (= Y94), E88 (= E95), A115 (= A122), M218 (= M220), S219 (= S221), N242 (= N244), H256 (≠ L256)
binding 7-methyl-6-thio-guanosine: Y87 (= Y94), A115 (= A122), A116 (= A123), G117 (= G124), E200 (= E202), V216 (= V218), G217 (= G219), M218 (= M220), T241 (= T243), N242 (= N244), H256 (≠ L256)

1v45E Crystal structure of human pnp complexed with 3-deoxyguanosine (see paper)
49% identity, 90% coverage: 30:281/281 of query aligns to 23:281/288 of 1v45E

query
sites
1v45E

R

R

P

P

R

Q

V

V

G

A

V

I

V

I

C

C

G

G

T
x
S

G

G

L

L

G

G

G

G

L

L

A

T

D

D

A

K

L

L

A

T

D

Q

A

A

R

Q

P

I

L

F

P

D

Y

Y

S

S

R

E

V

I

P

P

G

N

F

F

P

P

Q

R

S

S

T

T

V

V

A

P

S

G

H
|
H

E

A

G

G

R

R

F

L

L

V

F

F

G

G

R

F

I

L

G

N

T

G

V

R

E

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

A

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

V

V

E

D

M

T

L

L

V

V

I

V

T

T

N

N

A
|
A

A

A

G
|
G

A

G

L

L

N

N

P

P

R

K

W

F

D

E

A

V

G

G

D

D

L

I

M

M

L

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

S

N

P

P

L

L

T

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

D

D

A

R

T

T

L

M

G

R

R

Q

I

R

A

A

M

L

E

S

E

T

A

W

A

K

R

Q

L

M

G

G

V

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

P

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

Y

L

R

Q

Q

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

M

C

G

G

L

L

R

R

V

V

L

F

G

G

I

F

S

S

C

L

L

I

T

T

N
|
N

K

K

N

V

L

I

P

M

D

D

-

Y

-

E

C

S

M

L

Q

E

E

K

A

A

P

N

L
x
H

E

E

E

E

V

V

I

L

R

A

V

A

A

G

G

K

E

Q

A

A

G

A

D

Q

K

K

L

L

T

E

R

Q

L

F

V

V

A

S

A

I

V

L

V

M

E

A

R

S

V

I

active site: S32 (≠ T39), H63 (= H70), Y87 (= Y94), A115 (= A122), M218 (= M220), S219 (= S221), H256 (≠ L256)
binding 9-(3-deoxy-beta-d-ribofuranosyl)guanine: A115 (= A122), G117 (= G124), F199 (≠ M201), E200 (= E202), V216 (= V218), M218 (= M220), N242 (= N244), H256 (≠ L256)

1v41E Crystal structure of human pnp complexed with 8-azaguanine (see paper)
49% identity, 90% coverage: 30:281/281 of query aligns to 23:281/288 of 1v41E

query
sites
1v41E

R

R

P

P

R

Q

V

V

G

A

V

I

V

I

C

C

G

G

T
x
S

G

G

L

L

G

G

G

G

L

L

A

T

D

D

A

K

L

L

A

T

D

Q

A

A

R

Q

P

I

L

F

P

D

Y

Y

S

S

R

E

V

I

P

P

G

N

F

F

P

P

Q

R

S

S

T

T

V

V

A

P

S

G

H
|
H

E

A

G

G

R

R

F

L

L

V

F

F

G

G

R

F

I

L

G

N

T

G

V

R

E

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

A

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

V

V

E

D

M

T

L

L

V

V

I

V

T

T

N

N

A
|
A

A
|
A

G
|
G

A

G

L

L

N

N

P

P

R

K

W

F

D

E

A

V

G

G

D

D

L

I

M

M

L

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

S

N

P

P

L

L

T

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

D

D

A

R

T

T

L

M

G

R

R

Q

I

R

A

A

M

L

E

S

E

T

A

W

A

K

R

Q

L

M

G

G

V

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

P

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

Y

L

R

Q

Q

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

M

C

G

G

L

L

R

R

V

V

L

F

G

G

I

F

S

S

C

L

L

I

T
|
T

N
|
N

K

K

N

V

L

I

P

M

D

D

-

Y

-

E

C

S

M

L

Q

E

E

K

A

A

P

N

L
x
H

E

E

E

E

V

V

I

L

R

A

V

A

A

G

G

K

E

Q

A

A

G

A

D

Q

K

K

L

L

T

E

R

Q

L

F

V

V

A

S

A

I

V

L

V

M

E

A

R

S

V

I

active site: S32 (≠ T39), H63 (= H70), Y87 (= Y94), A115 (= A122), M218 (= M220), S219 (= S221), H256 (≠ L256)
binding 5-amino-1h-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol: A115 (= A122), A116 (= A123), G117 (= G124), F199 (≠ M201), E200 (= E202), V216 (= V218), M218 (= M220), T241 (= T243), N242 (= N244)

1v3qE Structure of human pnp complexed with ddi (see paper)
49% identity, 90% coverage: 30:281/281 of query aligns to 23:281/288 of 1v3qE

query
sites
1v3qE

R

R

P

P

R

Q

V

V

G

A

V

I

V

I

C

C

G

G

T
x
S

G

G

L

L

G

G

G

G

L

L

A

T

D

D

A

K

L

L

A

T

D

Q

A

A

R

Q

P

I

L

F

P

D

Y

Y

S

S

R

E

V

I

P

P

G

N

F

F

P

P

Q

R

S

S

T

T

V

V

A

P

S

G

H
|
H

E

A

G

G

R

R

F

L

L

V

F

F

G

G

R

F

I

L

G

N

T

G

V

R

E

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

A

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

V

V

E

D

M

T

L

L

V

V

I

V

T

T

N

N

A
|
A

A

A

G
|
G

A

G

L

L

N

N

P

P

R

K

W

F

D

E

A

V

G

G

D

D

L

I

M

M

L

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

S

N

P

P

L

L

T

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

D

D

A

R

T

T

L

M

G

R

R

Q

I

R

A

A

M

L

E

S

E

T

A

W

A

K

R

Q

L

M

G

G

V

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

P

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

Y

L

R

Q

Q

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

M

C

G

G

L

L

R

R

V

V

L

F

G

G

I

F

S

S

C

L

L

I

T

T

N
|
N

K

K

N

V

L

I

P

M

D

D

-

Y

-

E

C

S

M

L

Q

E

E

K

A

A

P

N

L
x
H

E

E

E

E

V

V

I

L

R

A

V

A

A

G

G

K

E

Q

A

A

G

A

D

Q

K

K

L

L

T

E

R

Q

L

F

V

V

A

S

A

I

V

L

V

M

E

A

R

S

V

I

active site: S32 (≠ T39), H63 (= H70), Y87 (= Y94), A115 (= A122), M218 (= M220), S219 (= S221), H256 (≠ L256)
binding 9-[(2r,5r)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-1,9-dihydro-6h-purin-6-one: G117 (= G124), F199 (≠ M201), E200 (= E202), V216 (= V218), M218 (= M220), N242 (= N244), H256 (≠ L256)

1v2hE Crystal structure of human pnp complexed with guanine (see paper)
49% identity, 90% coverage: 30:281/281 of query aligns to 23:281/288 of 1v2hE

query
sites
1v2hE

R

R

P

P

R

Q

V

V

G

A

V

I

V

I

C

C

G

G

T
x
S

G

G

L

L

G

G

G

G

L

L

A

T

D

D

A

K

L

L

A

T

D

Q

A

A

R

Q

P

I

L

F

P

D

Y

Y

S

S

R

E

V

I

P

P

G

N

F

F

P

P

Q

R

S

S

T

T

V

V

A

P

S

G

H
|
H

E

A

G

G

R

R

F

L

L

V

F

F

G

G

R

F

I

L

G

N

T

G

V

R

E

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

A

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

V

V

E

D

M

T

L

L

V

V

I

V

T

T

N

N

A
|
A

A
|
A

G
|
G

A

G

L

L

N

N

P

P

R

K

W

F

D

E

A

V

G

G

D

D

L

I

M

M

L

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

S

N

P

P

L

L

T

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

D

D

A

R

T

T

L

M

G

R

R

Q

I

R

A

A

M

L

E

S

E

T

A

W

A

K

R

Q

L

M

G

G

V

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

P

A

G

G

P

P

Q

S

M

F

E
|
E

T

T

P

V

A

A

E

E

T

C

R

R

M

V

Y

L

R

Q

Q

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

M

C

G

G

L

L

R

R

V

V

L

F

G

G

I

F

S

S

C

L

L

I

T
|
T

N
|
N

K

K

N

V

L

I

P

M

D

D

-

Y

-

E

C

S

M

L

Q

E

E

K

A

A

P

N

L
x
H

E

E

E

E

V

V

I

L

R

A

V

A

A

G

G

K

E

Q

A

A

G

A

D

Q

K

K

L

L

T

E

R

Q

L

F

V

V

A

S

A

I

V

L

V

M

E

A

R

S

V

I

active site: S32 (≠ T39), H63 (= H70), Y87 (= Y94), A115 (= A122), M218 (= M220), S219 (= S221), H256 (≠ L256)
binding guanine: A116 (= A123), G117 (= G124), E200 (= E202), M218 (= M220), T241 (= T243), N242 (= N244)

1rfgE Crystal structure of human purine nucleoside phosphorylase complexed with guanosine (see paper)
49% identity, 90% coverage: 30:281/281 of query aligns to 23:281/288 of 1rfgE

query
sites
1rfgE

R

R

P

P

R

Q

V

V

G

A

V

I

V

I

C

C

G

G

T
x
S

G

G

L

L

G

G

G

G

L

L

A

T

D

D

A

K

L

L

A

T

D

Q

A

A

R

Q

P

I

L

F

P

D

Y

Y

S

S

R

E

V

I

P

P

G

N

F

F

P

P

Q

R

S

S

T

T

V

V

A

P

S

G

H
|
H

E

A

G

G

R

R

F

L

L

V

F

F

G

G

R

F

I

L

G

N

T

G

V

R

E

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

A

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

V

V

E

D

M

T

L

L

V

V

I

V

T

T

N

N

A
|
A

A

A

G
|
G

A

G

L

L

N

N

P

P

R

K

W

F

D

E

A

V

G

G

D

D

L

I

M

M

L

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

S

N

P

P

L

L

T

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

D

D

A

R

T

T

L

M

G

R

R

Q

I

R

A

A

M

L

E

S

E

T

A

W

A

K

R

Q

L

M

G

G

V

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

P

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

Y

L

R

Q

Q

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

M

C

G

G

L

L

R

R

V

V

L

F

G

G

I

F

S

S

C

L

L

I

T
|
T

N
|
N

K

K

N

V

L

I

P

M

D

D

-

Y

-

E

C

S

M

L

Q

E

E

K

A

A

P

N

L
x
H

E

E

E

E

V

V

I

L

R

A

V

A

A

G

G

K

E

Q

A

A

G

A

D

Q

K

K

L

L

T

E

R

Q

L

F

V

V

A

S

A

I

V

L

V

M

E

A

R

S

V

I

active site: S32 (≠ T39), H63 (= H70), Y87 (= Y94), A115 (= A122), M218 (= M220), S219 (= S221), H256 (≠ L256)
binding guanosine: A115 (= A122), G117 (= G124), F199 (≠ M201), E200 (= E202), V216 (= V218), M218 (= M220), T241 (= T243), N242 (= N244), H256 (≠ L256)

1rctE Crystal structure of human purine nucleoside phosphorylase complexed with inosine (see paper)
49% identity, 90% coverage: 30:281/281 of query aligns to 23:281/288 of 1rctE

query
sites
1rctE

R

R

P

P

R

Q

V

V

G

A

V

I

V

I

C

C

G

G

T
x
S

G

G

L

L

G

G

G

G

L

L

A

T

D

D

A

K

L

L

A

T

D

Q

A

A

R

Q

P

I

L

F

P

D

Y

Y

S

S

R

E

V

I

P

P

G

N

F

F

P

P

Q

R

S

S

T

T

V

V

A

P

S

G

H
|
H

E

A

G

G

R

R

F

L

L

V

F

F

G

G

R

F

I

L

G

N

T

G

V

R

E

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

A

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

V

V

E

D

M

T

L

L

V

V

I

V

T

T

N

N

A
|
A

A

A

G
|
G

A

G

L

L

N

N

P

P

R

K

W

F

D

E

A

V

G

G

D

D

L

I

M

M

L

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

S

N

P

P

L

L

T

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

D

D

A

R

T

T

L

M

G

R

R

Q

I

R

A

A

M

L

E

S

E

T

A

W

A

K

R

Q

L

M

G

G

V

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

P

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

Y

L

R

Q

Q

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

M

C

G

G

L

L

R

R

V

V

L

F

G

G

I

F

S

S

C

L

L

I

T

T

N
|
N

K

K

N

V

L

I

P

M

D

D

-

Y

-

E

C

S

M

L

Q

E

E

K

A

A

P

N

L
x
H

E

E

E

E

V

V

I

L

R

A

V

A

A

G

G

K

E

Q

A

A

G

A

D

Q

K

K

L

L

T

E

R

Q

L

F

V

V

A

S

A

I

V

L

V

M

E

A

R

S

V

I

active site: S32 (≠ T39), H63 (= H70), Y87 (= Y94), A115 (= A122), M218 (= M220), S219 (= S221), H256 (≠ L256)
binding inosine: A115 (= A122), G117 (= G124), F199 (≠ M201), E200 (= E202), V216 (= V218), M218 (= M220), N242 (= N244), H256 (≠ L256)

1pwyE Crystal structure of human pnp complexed with acyclovir (see paper)
49% identity, 90% coverage: 30:281/281 of query aligns to 23:281/288 of 1pwyE

query
sites
1pwyE

R

R

P

P

R

Q

V

V

G

A

V

I

V

I

C

C

G

G

T
x
S

G

G

L

L

G

G

G

G

L

L

A

T

D

D

A

K

L

L

A

T

D

Q

A

A

R

Q

P

I

L

F

P

D

Y

Y

S

S

R

E

V

I

P

P

G

N

F

F

P

P

Q

R

S

S

T

T

V

V

A

P

S

G

H
|
H

E

A

G

G

R

R

F

L

L

V

F

F

G

G

R

F

I

L

G

N

T

G

V

R

E

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

A

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

V

V

E

D

M

T

L

L

V

V

I

V

T

T

N

N

A
|
A

A
|
A

G
|
G

A

G

L

L

N

N

P

P

R

K

W

F

D

E

A

V

G

G

D

D

L

I

M

M

L

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

S

N

P

P

L

L

T

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

D

D

A

R

T

T

L

M

G

R

R

Q

I

R

A

A

M

L

E

S

E

T

A

W

A

K

R

Q

L

M

G

G

V

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

P

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

Y

L

R

Q

Q

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

M

C

G

G

L

L

R

R

V

V

L

F

G

G

I

F

S

S

C

L

L

I

T
|
T

N
|
N

K

K

N

V

L

I

P

M

D

D

-

Y

-

E

C

S

M

L

Q

E

E

K

A

A

P

N

L
x
H

E

E

E

E

V

V

I

L

R

A

V

A

A

G

G

K

E

Q

A

A

G

A

D

Q

K

K

L

L

T

E

R

Q

L

F

V

V

A

S

A

I

V

L

V

M

E

A

R

S

V

I

active site: S32 (≠ T39), H63 (= H70), Y87 (= Y94), A115 (= A122), M218 (= M220), S219 (= S221), H256 (≠ L256)
binding 9-hyroxyethoxymethylguanine: A115 (= A122), A116 (= A123), G117 (= G124), F199 (≠ M201), E200 (= E202), V216 (= V218), M218 (= M220), T241 (= T243), N242 (= N244), H256 (≠ L256)

1pf7E Crystal structure of human pnp complexed with immucillin h (see paper)
49% identity, 90% coverage: 30:281/281 of query aligns to 23:281/288 of 1pf7E

query
sites
1pf7E

R

R

P

P

R

Q

V

V

G

A

V

I

V

I

C

C

G

G

T
x
S

G

G

L

L

G

G

G

G

L

L

A

T

D

D

A

K

L

L

A

T

D

Q

A

A

R

Q

P

I

L

F

P

D

Y

Y

S

S

R

E

V

I

P

P

G

N

F

F

P

P

Q

R

S

S

T

T

V

V

A

P

S

G

H
|
H

E

A

G

G

R

R

F

L

L

V

F

F

G

G

R

F

I

L

G

N

T

G

V

R

E

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

A

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

V

V

E

D

M

T

L

L

V

V

I

V

T

T

N

N

A
|
A

A

A

G

G

A

G

L

L

N

N

P

P

R

K

W

F

D

E

A

V

G

G

D

D

L

I

M

M

L

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

S

N

P

P

L

L

T

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

D

D

A

R

T

T

L

M

G

R

R

Q

I

R

A

A

M

L

E

S

E

T

A

W

A

K

R

Q

L

M

G

G

V

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

P

A

G

G

P

P

Q

S

M

F

E
|
E

T

T

P

V

A

A

E

E

T

C

R

R

M

V

Y

L

R

Q

Q

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

M

C

G

G

L

L

R

R

V

V

L

F

G

G

I

F

S

S

C

L

L

I

T
|
T

N
|
N

K

K

N

V

L

I

P

M

D

D

-

Y

-

E

C

S

M

L

Q

E

E

K

A

A

P

N

L
x
H

E

E

E

E

V

V

I

L

R

A

V

A

A

G

G

K

E

Q

A

A

G

A

D

Q

K

K

L

L

T

E

R

Q

L

F

V

V

A

S

A

I

V

L

V

M

E

A

R

S

V

I

active site: S32 (≠ T39), H63 (= H70), H85 (= H92), Y87 (= Y94), E88 (= E95), A115 (= A122), M218 (= M220), S219 (= S221), N242 (= N244), H256 (≠ L256)
binding 1,4-dideoxy-4-aza-1-(s)-(9-deazahypoxanthin-9-yl)-d-ribitol: Y87 (= Y94), A115 (= A122), E200 (= E202), M218 (= M220), T241 (= T243), N242 (= N244), H256 (≠ L256)

1rszA Structure of human purine nucleoside phosphorylase in complex with dadme-immucillin-h and sulfate
49% identity, 90% coverage: 30:281/281 of query aligns to 22:280/282 of 1rszA

query
sites
1rszA

R

R

P

P

R

Q

V

V

G

A

V

I

V

I

C

C

G

G

T
x
S

G

G

L

L

G

G

G

G

L

L

A

T

D

D

A

K

L

L

A

T

D

Q

A

A

R

Q

P

I

L

F

P

D

Y

Y

S

S

R

E

V

I

P

P

G

N

F

F

P

P

Q

R

S

S

T

T

V

V

A

P

S

G

H
|
H

E

A

G

G

R

R

F

L

L

V

F

F

G

G

R

F

I

L

G

N

T

G

V

R

E

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

A

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

V

V

E

D

M

T

L

L

V

V

I

V

T

T

N

N

A
|
A

A
|
A

G
|
G

A

G

L

L

N

N

P

P

R

K

W

F

D

E

A

V

G

G

D

D

L

I

M

M

L

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

S

N

P

P

L

L

T

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

D

D

A

R

T

T

L

M

G

R

R

Q

I

R

A

A

M

L

E

S

E

T

A

W

A

K

R

Q

L

M

G

G

V

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

P

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

Y

L

R

Q

Q

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

M

C

G

G

L

L

R

R

V

V

L

F

G

G

I

F

S

S

C

L

L

I

T

T

N
|
N

K

K

N
x
V

L

I

P

M

D

D

-

Y

-

E

C

S

M

L

Q

E

E

K

A

A

P

N

L
x
H

E

E

E

E

V
|
V

I

L

R

A

V

A

A

G

G

K

E

Q

A

A

G

A

D

Q

K

K

L

L

T

E

R

Q

L

F

V

V

A

S

A

I

V

L

V

M

E

A

R

S

V

I

active site: S31 (≠ T39), H62 (= H70), H84 (= H92), Y86 (= Y94), E87 (= E95), A114 (= A122), M217 (= M220), S218 (= S221), N241 (= N244), V243 (≠ N246), H255 (≠ L256)
binding 7-[[(3R,4R)-3-(hydroxymethyl)-4-oxidanyl-pyrrolidin-1-ium-1-yl]methyl]-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one: Y86 (= Y94), A114 (= A122), A115 (= A123), G116 (= G124), F198 (≠ M201), E199 (= E202), V215 (= V218), M217 (= M220), N241 (= N244), H255 (≠ L256), V258 (= V259)

3k8oE Crystal structure of human purine nucleoside phosphorylase in complex with datme-immh
49% identity, 90% coverage: 30:281/281 of query aligns to 22:280/283 of 3k8oE

query
sites
3k8oE

R

R

P

P

R

Q

V

V

G

A

V

I

V

I

C

C

G

G

T
x
S

G

G

L

L

G

G

G

G

L

L

A

T

D

D

A

K

L

L

A

T

D

Q

A

A

R

Q

P

I

L

F

P

D

Y

Y

S

S

R

E

V

I

P

P

G

N

F

F

P

P

Q

R

S

S

T

T

V

V

A

P

S

G

H
|
H

E

A

G

G

R

R

F

L

L

V

F

F

G

G

R

F

I

L

G

N

T

G

V

R

E

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

A

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

V

V

E

D

M

T

L

L

V

V

I

V

T

T

N

N

A
|
A

A
|
A

G
|
G

A

G

L

L

N

N

P

P

R

K

W

F

D

E

A

V

G

G

D

D

L

I

M

M

L

L

I

I

T

R

D

D

H

H

I

I

N

N

-

L

-

P

-

G

F

F

T

S

G

G

R

Q

S

N

P

P

L

L

T

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

D

D

A

R

T

T

L

M

G

R

R

Q

I

R

A

A

M

L

E

S

E

T

A

W

A

K

R

Q

L

M

G

G

V

E

R

Q

-

R

-

E

L

L

E

Q

R

E

G

G

V

T

Y

Y

V

V

G

M

V

V

P

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

Y

L

R

Q

Q

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

M

C

G

G

L

L

R

R

V

V

L

F

G

G

I

F

S

S

C

L

L

I

T

T

N
|
N

K

K

N
x
V

L

I

P

M

D

D

-

Y

-

E

C

S

M

L

Q

E

E

K

A

A

P

N

L
x
H

E

E

E

E

V

V

I

L

R

A

V

A

A

G

G

K

E

Q

A

A

G

A

D

Q

K

K

L

L

T

E

R

Q

L

F

V

V

A

S

A

I

V

L

V

M

E

A

R

S

V

I

active site: S31 (≠ T39), H62 (= H70), H84 (= H92), Y86 (= Y94), E87 (= E95), A114 (= A122), M217 (= M220), S218 (= S221), N241 (= N244), V243 (≠ N246), H255 (≠ L256)
binding 7-({[(1r,2s)-2,3-dihydroxy-1-(hydroxymethyl)propyl]amino}methyl)-3,5-dihydro-4h-pyrrolo[3,2-d]pyrimidin-4-one: A114 (= A122), A115 (= A123), G116 (= G124), F198 (≠ M201), E199 (= E202), G216 (= G219), M217 (= M220), N241 (= N244), H255 (≠ L256)

3k8qA Crystal structure of human purine nucleoside phosphorylase in complex with serme-immucillin h
49% identity, 90% coverage: 30:281/281 of query aligns to 24:282/286 of 3k8qA

query
sites
3k8qA

R

R

P

P

R

Q

V

V

G

A

V

I

V

I

C

C

G

G

T
x
S

G

G

L

L

G

G

G

G

L

L

A

T

D

D

A

K

L

L

A

T

D

Q

A

A

R

Q

P

I

L

F

P

D

Y

Y

S

S

R

E

V

I

P

P

G

N

F

F

P

P

Q

R

S

S

T

T

V

V

A

P

S

G

H
|
H

E

A

G

G

R

R

F

L

L

V

F

F

G

G

R

F

I

L

G

N

T

G

V

R

E

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

A

P

P

L

E

W

D

K

V

V

C

T

M

F

G

P

V