SitesBLAST

Q8U2I1 6-oxopurine nucleoside phosphorylase; Purine nucleoside phosphorylase; PNP; PfPNP; EC 2.4.2.1 from Pyrococcus furiosus (strain ATCC 43587 / DSM 3638 / JCM 8422 / Vc1) (see 2 papers)
41% identity, 91% coverage: 7:245/262 of query aligns to 1:241/265 of Q8U2I1

query
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Q8U2I1

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M1 (= M7) modified: Initiator methionine, Removed
C136 (≠ D140) modified: Disulfide link with 202
C162 (≠ A166) modified: Disulfide link with 190
E169 (= E173) mutation to S: Decreases catalytic activity for insosine and allows the enzyme to phosphorolytically cleave MTA with a catalytic efficiency about 4-fold higher than for inosine; when associated with D-211, D-213 and A-223.
C190 (≠ M194) modified: Disulfide link with 162
C202 (≠ R206) modified: Disulfide link with 136
N211 (= N215) mutation to D: Decreases catalytic activity for insosine and allows the enzyme to phosphorolytically cleave MTA with a catalytic efficiency about 4-fold higher than for inosine; when associated with S-169, D-213 and A-223.
A213 (= A217) mutation to D: Decreases catalytic activity for insosine and allows the enzyme to phosphorolytically cleave MTA with a catalytic efficiency about 4-fold higher than for inosine; when associated with S-169, D-211 and A-223.
H223 (≠ M227) mutation to A: Decreases catalytic activity for insosine and allows the enzyme to phosphorolytically cleave MTA with a catalytic efficiency about 4-fold higher than for inosine; when associated with S-169, D-211 and D-213.

Sites not aligning to the query:

254 modified: Disulfide link with 256; C→S: Fully active, but reduces thermodynamic and kinetic stability of the enzyme; when associated with S-256.
256 modified: Disulfide link with 254; C→S: Fully active, but reduces thermodynamic and kinetic stability of the enzyme; when associated with S-254.

3t94A Crystal structure of 5'-deoxy-5'-methylthioadenosine phosphorylase (mtap) ii complexed with 5'-deoxy-5'-methylthioadenosine and sulfate (see paper)
38% identity, 90% coverage: 10:245/262 of query aligns to 10:243/270 of 3t94A

query
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3t94A

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active site: S16 (≠ T16), P39 (= P39), H63 (= H63), I65 (= I65), P66 (= P66), A92 (= A92), M190 (= M191), T191 (= T192), D214 (≠ N215), D216 (≠ A217), A225 (≠ M227)
binding 5'-deoxy-5'-methylthioadenosine: G94 (= G94), F170 (≠ L172), I188 (≠ V189), M190 (= M191), D214 (≠ N215), A225 (≠ M227), V228 (≠ I230)

Q97W94 S-methyl-5'-thioadenosine phosphorylase; 5'-methylthioadenosine phosphorylase; MTA phosphorylase; MTAP; MTAPII; EC 2.4.2.28 from Saccharolobus solfataricus (strain ATCC 35092 / DSM 1617 / JCM 11322 / P2) (Sulfolobus solfataricus) (see 2 papers)
38% identity, 90% coverage: 10:245/262 of query aligns to 10:243/270 of Q97W94

query
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Q97W94

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C138 (≠ D140) modified: Disulfide link with 205
C200 (≠ A201) modified: Disulfide link with 262
C205 (≠ R206) modified: Disulfide link with 138

Sites not aligning to the query:

259 modified: Disulfide link with 261; C→S: Reduces thermostability of the enzyme; when associated with S-261.
261 modified: Disulfide link with 259; C→S: Reduces thermostability of the enzyme; when associated with S-259.
262 modified: Disulfide link with 200; C→S: Reduces thermostability of the enzyme.

Q8U4Q8 S-methyl-5'-thioadenosine phosphorylase; 5'-methylthioadenosine phosphorylase; MTA phosphorylase; MTAP; PfMTAP; EC 2.4.2.28 from Pyrococcus furiosus (strain ATCC 43587 / DSM 3638 / JCM 8422 / Vc1) (see paper)
38% identity, 94% coverage: 7:252/262 of query aligns to 1:240/257 of Q8U4Q8

query
sites
Q8U4Q8

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C130 (≠ D140) modified: Disulfide link with 195
C195 (≠ R206) modified: Disulfide link with 130

Sites not aligning to the query:

246 modified: Disulfide link with 248
248 modified: Disulfide link with 246

1wtaA Crystal structure of 5'-deoxy-5'-methylthioadenosine from aeropyrum pernix (r32 form)
39% identity, 90% coverage: 10:245/262 of query aligns to 12:246/273 of 1wtaA

query
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1wtaA

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F

G

K

C

A

D

D

L

I

V
x
I

G

G

M

M

T

T

G

L

M

V

P

P

E

E

A

I

A

N

L

L

A

A

A

C

E

E

L

A

G

Q

M

L

R

C

Y

Y

V

A

C

T

L

L

G

A

L

M

V

V

V

T

N
x
D

W

Y

A
x
D

A

V

G

W

K

-

S

A

D

D

H

R

I

P

I

V

T

T

M

A

E

E

I

V

E

E

A

R

A

V

I

M

E

I

Q

S

G

N

M

V

S

E

G

R

V

A

K

R

R

R

I

M

L

L

active site: D217 (≠ N215), D219 (≠ A217)
binding adenine: V95 (= V93), G96 (= G94), F173 (≠ L172), I191 (≠ V189), D217 (≠ N215), D219 (≠ A217)

5f76A Crystal structure of mutant s12t of adenosine/methylthioadenosine phosphorylase from schistosoma mansoni in complex with methylthioadenosine (see paper)
34% identity, 94% coverage: 10:255/262 of query aligns to 4:262/286 of 5f76A

query
sites
5f76A

V

V

G

G

I

I

G

G

T

T

G

G

L

F

T

D

L

P

S

N

G

L

L

F

E

K

I

K

T

V

G

G

E

V

N

R

K

Q

A

V

G

T

T

T

P

P

W

F

G

G

M
x
K

P

P

S

S

A

D

P

T

L

L

V

V

E

E

G

G

R

F

L

V

G

G

D

D

Q

V

P

A

V

C

M

V

F

V

L

L

S

P

R

R

H

H

G

G

N

K

P

G

H
|
H

R

L

I

I

P

P

H

S

Q

E

V

V

N

N

Y

Y

R

R

A

A

N

N

L

V

K

W

A

A

L

L

Y

K

D

D

A

L

G

G

V

C

R

T

T

H

V

I

V

L

G

A

V

T

N

N

A
|
A

V
x
C

G
|
G

G

S

I

L

H

Q

A

E

D

D

M

L

G

V

P

P

A

G

H

D

V

F

V

V

I

V

P

L

D

N

Q

Q

I

F

I

M

D

D

Y

K

T

T

W

W

G

G

R

R

A

E

S

N

T

T

F

F

F

Y

-

G

-

S

-

K

E

P

G

D

S

S

L

L

D

K

S

G

V

V

T

L

H

H

I

M

D

P

F

M

T

A

W

E

P

P

Y

F

D

C

E

E

S

R

A

T

R

R

Q

Q

I

I

L

L

I

I

D

Q

A

A

G

R

A

N

E

K

N

S

V

I

-

N

-

V

-

Y

-

D

-

K

-

T

-

M

-

D

-

K

-

S

-

A

-

C

-

I

-

H

-

P

P

C

F

V

S

H

G

A

F

E

G

G

V

S

Y

A

G

V

A

T

T

I

Q

N

G

G

P

P

R

R

L
x
F

E

S

T

T

A

R

A

C

E

E

I

S

I

F

R

I

M

H

E

K

R

A

D

M

G

G

C

L

D

D

L

I

V

V

G
x
N

M
|
M

T

T

G

L

M

V

P

P

E

E

A

V

A

S

L

L

A

A

A

R

E

E

L

A

G

G

M

L

R

S

Y

Y

V

A

C

S

L

I

G

A

L

I

V

V

V

T

N
x
D

W

F

A
x
D

A

C

G

W

K

K

S

-

D

-

H

H

I

V

I

C

T

-

M

-

E

-

I

V

E

D

A

M

A
x
V

I

L

E

E

Q

Q

G

F

M

R

S

K

G

S

V

V

K

V

R

H

I

V

L

R

E

E

V

I

S

L

M

L

A

E

G

A

L

V

G

A

V

L

L

I

active site: K32 (≠ M38), H57 (= H63), D228 (≠ N215), D230 (≠ A217)
binding 5'-deoxy-5'-methylthioadenosine: A86 (= A92), C87 (≠ V93), G88 (= G94), F185 (≠ L172), N203 (≠ G190), M204 (= M191), D228 (≠ N215), V240 (≠ A233)

5f7jB Crystal structure of mutant n87t of adenosine/methylthioadenosine phosphorylase from schistosoma mansoni in complex with adenine (see paper)
33% identity, 94% coverage: 10:255/262 of query aligns to 6:268/291 of 5f7jB

query
sites
5f7jB

V

V

G

G

I

I

G

G

T

S

G

G

L

F

T

D

L

P

S

N

G

L

L

F

E

K

I

K

T

V

G

G

E

V

N

R

K

Q

A

V

G

T

T

T

P

P

W

F

G

G

M
x
K

P

P

S

S

A

D

P

T

L

L

V

V

E

E

G

G

R

F

L

V

G

G

D

D

Q

V

P

A

V

C

M

V

F

V

L

L

S

P

R

R

H

H

G

G

N

K

P

G

H
|
H

R

L

I

I

P

P

H

S

Q

E

V

V

N

N

Y

Y

R

R

A

A

N

N

L

V

K

W

A

A

L

L

Y

K

D

D

A

L

G

G

V

C

R

T

T

H

V

I

V

L

G

A

V

T

N

T

A
|
A

V
x
C

G
|
G

G

S

I

L

H

Q

A

E

D

D

M

L

G

V

P

P

A

G

H

D

V

F

V

V

I

V

P

L

D

N

Q

Q

I

F

I

M

D

D

Y

K

T

T

W

W

G

G

R

R

A

E

S

N

T

T

F

F

F

Y

-

G

-

S

-

K

E

P

G

D

S

S

L

L

D

K

S

G

V

V

T

L

H

H

I

M

D

P

F

M

T

A

W

E

P

P

Y

F

D

C

E

E

S

R

A

T

R

R

Q

Q

I

I

L

L

I

I

D

Q

A

A

G

R

A

N

E

K

N

S

V

I

-

N

-

V

-

Y

-

D

-

K

-

T

-

M

-

D

-

K

-

S

-

A

-

C

-

I

-

H

-

P

P

C

F

V

S

H

G

A

F

E

G

G

V

S

Y

A

G

V

A

T

T

I

Q

N

G

G

P

P

R

R

L
x
F

E

S

T

T

A

R

A

C

E

E

I

S

I

F

R

I

M

H

E

K

R

A

D

M

G

G

C

L

D

D

L

I

V
|
V

G
x
N

M
|
M

T

T

G

L

M

V

P

P

E

E

A

V

A

S

L

L

A

A

A

R

E

E

L

A

G

G

M

L

R

S

Y

Y

V

A

C

S

L

I

G

A

L

I

V

V

V

T

N
x
D

W

F

A
x
D

A

C

G

W

K

K

S

S

-

E

D

E

H

H

I

V

I

C

T

-

M

-

E

-

I

V

E

D

A

M

A
x
V

I

L

E

E

Q

Q

G

F

M

R

S

K

G

S

V

V

K

V

R

H

I

V

L

R

E

E

V

I

S

L

M

L

A

E

G

A

L

V

G

A

V

L

L

I

active site: K34 (≠ M38), H59 (= H63), D230 (≠ N215), D232 (≠ A217)
binding adenine: A88 (= A92), C89 (≠ V93), G90 (= G94), F187 (≠ L172), V204 (= V189), N205 (≠ G190), M206 (= M191), D230 (≠ N215), D232 (≠ A217), V246 (≠ A233)

4l5aA Methylthioadenosine phosphorylase from schistosoma mansoni in complex with tubercidin (see paper)
34% identity, 93% coverage: 10:253/262 of query aligns to 4:260/282 of 4l5aA

query
sites
4l5aA

V

V

G

G

I

I

G

G

T

S

G

G

L

F

T

D

T

L

L

F

S

K

G

K

L

V

E

-

I

-

T

-

G

G

E

V

N

R

K

Q

A

V

G

T

T

T

P

P

W

F

G

G

M
x
K

P

P

S

S

A

D

P

T

L

L

V

V

E

E

G

G

R

F

L

V

G

G

D

D

Q

V

P

A

V

C

M

V

F

V

L

L

S

P

R

R

H

H

G

G

N

K

P

G

H
|
H

R

L

I

I

P

P

H

S

Q

E

V

V

N

N

Y

Y

R

R

A

A

N

N

L

V

K

W

A

A

L

L

Y

K

D

D

A

L

G

G

V

C

R

T

T

H

V

I

V

L

G

A

V

T

N

N

A
|
A

V
x
C

G
|
G

G

S

I

L

H

Q

A

E

D

D

M

L

G

V

P

P

A

G

H

D

V

F

V

V

I

V

P

L

D

N

Q

Q

I

F

I

M

D

D

Y

K

T

T

W

W

G

G

R

R

A

E

S

N

T

T

F

F

F

Y

-

G

-

S

-

K

E

P

G

D

S

S

L

L

D

K

S

G

V

V

T

L

H

H

I

M

D

P

F

M

T

A

W

E

P

P

Y

F

D

C

E

E

S

R

A

T

R

R

Q

Q

I

I

L

L

I

I

D

Q

A

A

G

R

A

N

E

K

N

S

V

I

-

N

-

V

-

Y

-

D

-

K

-

T

-

M

-

D

-

K

-

S

-

A

-

C

-

I

-

H

-

P

P

C

F

V

S

H

G

A

F

E

G

G

V

S

Y

A

G

V

A

T

T

I

Q

N

G

G

P

P

R

R

L
x
F

E

S

T

T

A

R

A

C

E

E

I

S

I

F

R

I

M

H

E

K

R

A

D

M

G

G

C

L

D

D

L

I

V

V

G
x
N

M
|
M

T

T

G

L

M

V

P

P

E

E

A

V

A

S

L

L

A

A

A

R

E

E

L

A

G

G

M

L

R

S

Y

Y

V

A

C

S

L

I

G

A

L

I

V

V

V

T

N
x
D

W

F

A
x
D

A

C

G

W

K

K

S

S

D

-

H

-

I

-

I

V

T

C

M

V

E

D

E

M

I
x
V

E

L

A

E

A

Q

I

F

E

R

Q

K

G

S

M

V

S

V

G

H

V

V

K

R

R

E

I

I

L

L

E

L

V

E

S

A

M

V

A

A

G

L

L

I

G

G

active site: K29 (≠ M38), H54 (= H63), D225 (≠ N215), D227 (≠ A217)
binding '2-(4-amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol: A83 (= A92), C84 (≠ V93), G85 (= G94), F182 (≠ L172), N200 (≠ G190), M201 (= M191), V237 (≠ I230)

4gljA Crystal structure of methylthioadenosine phosphorylase in complex with rhodamine b (see paper)
40% identity, 79% coverage: 10:216/262 of query aligns to 6:213/287 of 4gljA

query
sites
4gljA

V

I

G

A

I

I

G

G

T
x
S

G

G

L

L

T
x
Y

T

Q

L

M

S

Q

G

A

L

L

E

T

I

N

T

K

G

R

E

S

N

V

K

K

A

I

G

E

T

T

P

P

W

Y

G

G

M

E

P

P

S

S

A

D

P

D

L

I

V

V

E

L

G

G

R

E

L

L

G

N

D

G

Q

V

P

T

V

V

M

A

F

F

L

L

S

T

R

R

H
|
H

G

G

N

Q

P

G

H

H

R

R

I

L

P

T

P

P

H

S

Q

E

V

V

N

P

Y

Y

R

R

A

A

N

N

L

I

K

Y

A

A

L

L

Y

K

D

T

A

L

G

G

V

V

R

R

T

Y

V

I

V

V

G

S

V

V

N

S

A
|
A

V

V

G
|
G

G

S

I

L

H

Q

A

E

D

T

M

L

G

K

P

P

A

L

H

D

V

M

V

V

I

I

P

P

D

D

Q

Q

I

M

I

I

D

D

Y

M

T

T

W

K

G

Q

R

R

A

V

S

S

T

T

F

F

-

G

E

D

G

G

S

-

L

-

D

-

S

A

V

V

T

A

H

H

I

V

D

S

F

M

T

A

W

D

P

P

Y

L

D

C

E

P

S

E

A

V

R

A

Q

D

I

I

L

L

I

I

-

R

-

A

-

Y

D

D

A

N

A

A

G

D

A

I

E

A

N

D

V

G

P

Q

F

C

S

H

G

A

F

K

G

A

V

T

Y

Y

G

V

A

C

T

I

Q

E

G

G

P

P

R

Q

L
x
F

E

S

T

T

A

R

A

A

E

E

I

S

I

H

R

W

M

Y

E

R

R

Q

D

M

G

Q

C

A

D

D

L

I

V
x
I

G
|
G

M
|
M

T

T

G

N

M

M

P

P

E

E

A

A

A

K

L

L

A

A

A

R

E

E

L

A

G

S

M

I

R

A

Y

Y

V

A

C

T

L

L

G

A

L

L

V

V

V

T

N
x
D

W
x
F

active site: D212 (≠ N215)
binding N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium: S12 (≠ T16), Y15 (≠ T19), H55 (= H59), A88 (= A92), G90 (= G94), F169 (≠ L172), F169 (≠ L172), I186 (≠ V189), G187 (= G190), M188 (= M191), D212 (≠ N215), F213 (≠ W216)

Sites not aligning to the query:

active site: 214
binding N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium: 214, 219, 228, 229, 232

5eubA Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with 2-amino-mta and sulfate
31% identity, 93% coverage: 10:253/262 of query aligns to 3:250/272 of 5eubA

query
sites
5eubA

V

I

G

G

I

I

G

G

T
|
T

G

G

L

L

T

D

L

P

S

E

G

I

L

L

E

E

I

G

T

R

G

T

E

E

N

K

K

Y

A

V

G

D

T

T

P

P

W

F

G

G

M

K

P
|
P

S

S

A

D

P

A

L

L

V

I

E

L

G

G

R

K

L

I

G

K

D

N

Q

V

P

D

V

C

M

V

F

L

L

L

S

A

R

R

H

H

G

G

N

R

P

Q

H
|
H

R

T

I
|
I

P
x
M

P

P

H

S

Q

K

V

V

N

N

Y

Y

R

Q

A

A

N

N

L

I

K

W

A

A

L

L

Y

K

D

E

A

E

G

G

V

C

R

T

T

H

V

V

V

I

G

V

V

T

N

T

A
|
A

V
x
C

G
|
G

G

S

I

L

H

R

A

E

D

E

M

I

G

Q

P

P

A

G

H

D

V

I

V

V

I

I

P

I

D

D

Q

Q

I

F

I

I

D

D

Y

R

T

T

W

T

G

M

R

R

A

P

S

Q

T

S

F

F

F

Y

E

D

G

G

S

S

L

H

D

S

S

C

-

A

-

R

-

G

V

V

T

C

H

H

I

I

D

P

F

M

T

A

W

E

P

P

Y

F

D

C

E

P

S

K

A

T

R

R

Q

E

I

V

L

L

I

I

D

E

A

T

A

A

G

K

A

K

E

L

N

G

V

L

P

R

F

C

S

H

G

S

F

K

G

G

V

T

Y

M

G

V

A

T

T

I

Q

E

G

G

P

P

R

R

L
x
F

E

S

T

S

A

R

A

A

E

E

I

S

I

F

R

M

M

F

E

R

R

T

D

W

G

G

C

A

D

D

L

V

V
x
I

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x
N

M
|
M

T
|
T

G

T

M

V

P

P

E

E

A

V

L

L

A

A

A

K

E

E

L

A

G

G

M

I

R

C

Y

Y

V

A

C

S

L

I

G

A

L

M

V

A

V
x
T

N
x
D

W

Y

A
x
D

A

C

G

W

K

K

S

E

-

H

D

E

H

E

I

A

I

V

T

S

M
x
V

E

D

E

R

I
x
V

E

L

A

K

A

T

I

L

E

K

Q

E

G

N

M

A

S

N

G

K

V

A

K

K

R

S

I

L

L

L

E

L

V

T

S

T

M

I

A

P

G

Q

L

I

G

G

active site: T9 (= T16), P32 (= P39), H56 (= H63), I58 (= I65), M59 (≠ P66), A85 (= A92), M187 (= M191), T188 (= T192), D211 (≠ N215), D213 (≠ A217), V224 (≠ M227)
binding (2~{R},3~{R},4~{S},5~{S})-2-[2,6-bis(azanyl)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol: A85 (= A92), C86 (≠ V93), G87 (= G94), F168 (≠ L172), I185 (≠ V189), N186 (≠ G190), T210 (≠ V214), D211 (≠ N215), D213 (≠ A217), V227 (≠ I230)

6dz3A Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3r,4s)-1-((4-amino-5h-pyrrolo[3,2- d]pyrimidin-7-yl)methyl)-4-(((3-(1-butyl-1h-1,2,3-triazol-4-yl) propyl)thio)methyl)pyrrolidin-3-ol (see paper)
31% identity, 93% coverage: 10:253/262 of query aligns to 4:251/273 of 6dz3A

query
sites
6dz3A

V

I

G

G

I

I

G

G

T
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T

G

G

L

L

T

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L

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S

E

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I

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L

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E

I

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R

G

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E

E

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K

Y

A

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S

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L

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A

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I

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x
M

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V

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N

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Y

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A

A

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N

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A

A

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E

A

E

G

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T

H

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I

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x
T

N

T

A
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A

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x
C

G
|
G

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L

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R

A

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D

E

M

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P

A

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I

V

V

I

I

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I

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Q

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F

I

I

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D

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C

-

A

-

R

-

G

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C

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H

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I

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M

T

A

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E

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E

I

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L

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I

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A

T

A

A

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A

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G

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E

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G

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P

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x
F

E

S

T

S

A

R

A

A

E

E

I

S

I

F

R

M

M

F

E

R

R

T

D

W

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G

C

A

D

D

L

V

V
x
I

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x
N

M
|
M

T
|
T

G

T

M

V

P

P

E

E

A

V

L

L

A

A

A

K

E

E

L

A

G

G

M

I

R

C

Y

Y

V

A

C

S

L

I

G

A

L

M

V

A

V

T

N
x
D

W

Y

A
x
D

A

C

G

W

K

K

S

E

-

H

D

E

H

E

I

A

I

V

T

S

M
x
V

E

D

E

R

I
x
V

E

L

A

K

A

T

I
x
L

E

K

Q

E

G

N

M

A

S

N

G

K

V

A

K

K

R

S

I

L

L

L

E

L

V

T

S

T

M

I

A

P

G

Q

L

I

G

G

active site: T10 (= T16), P33 (= P39), H57 (= H63), I59 (= I65), M60 (≠ P66), A86 (= A92), M188 (= M191), T189 (= T192), D212 (≠ N215), D214 (≠ A217), V225 (≠ M227)
binding (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-({[3-(1-butyl-1H-1,2,3-triazol-4-yl)propyl]sulfanyl}methyl)pyrrolidin-3-ol: T84 (≠ V90), A86 (= A92), C87 (≠ V93), G88 (= G94), F169 (≠ L172), I186 (≠ V189), N187 (≠ G190), M188 (= M191), D212 (≠ N215), D214 (≠ A217), V228 (≠ I230), L232 (≠ I234)

6dyzA Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3r,4s)-1-((4-amino-5h-pyrrolo[3,2- d]pyrimidin-7-yl)methyl)-4-((prop-2-yn-1-ylthio)methyl)pyrrolidin-3- ol (see paper)
31% identity, 93% coverage: 10:253/262 of query aligns to 4:251/273 of 6dyzA

query
sites
6dyzA

V

I

G

G

I

I

G

G

G
|
G

T
|
T

G

G

L

L

T

D

L

P

S

E

G

I

L

L

E

E

I

G

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R

G

T

E

E

N

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K

Y

A

V

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D

T

T

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P

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F

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M

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P

S

S

A

D

P

A

L

L

V

I

E

L

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G

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L

I

G

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D

N

Q

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D

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A

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H
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H

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H
|
H

R

T

I
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I

P
x
M

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P

H

S

Q

K

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V

N

N

Y

Y

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Q

A

A

N

N

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W

A

A

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L

Y

K

D

E

A

E

G

G

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C

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H

V

V

V

I

G

V

V

T

N
x
T

A
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A

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x
C

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G

G

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I

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H

R

A

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D

E

M

I

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P

A

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I

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V

I

I

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I

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Q

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I

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Y

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S

L

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C

-

A

-

R

-

G

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T

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I

V

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L

I

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A

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A

A

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A

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E

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M

G

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T

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G

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x
F

E

S

T

S

A

R

A

A

E

E

I

S

I

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M

M

F

E

R

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T

D

W

G

G

C

A

D

D

L

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V
x
I

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x
N

M
|
M

T
|
T

G

T

M

V

P

P

E

E

A

V

L

L

A

A

A

K

E

E

L

A

G

G

M

I

R

C

Y

Y

V

A

C

S

L

I

G

A

L

M

V

A

V

T

N
x
D

W

Y

A
x
D

A

C

G

W

K

K

S

E

-

H

D

E

H

E

I

A

I

V

T

S

M
x
V

E

D

E

R

I
x
V

E

L

A

K

A

T

I

L

E

K

Q

E

G

N

M

A

S

N

G

K

V

A

K

K

R

S

I

L

L

L

E

L

V

T

S

T

M

I

A

P

G

Q

L

I

G

G

active site: T10 (= T16), P33 (= P39), H57 (= H63), I59 (= I65), M60 (≠ P66), A86 (= A92), M188 (= M191), T189 (= T192), D212 (≠ N215), D214 (≠ A217), V225 (≠ M227)
binding (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(prop-2-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol: T10 (= T16), H57 (= H63), A86 (= A92), C87 (≠ V93), G88 (= G94), F169 (≠ L172), I186 (≠ V189), N187 (≠ G190), M188 (= M191), D212 (≠ N215), D214 (≠ A217), V228 (≠ I230)
binding phosphate ion: G9 (= G15), T10 (= T16), R52 (= R58), H53 (= H59), T85 (≠ N91), A86 (= A92), T189 (= T192)

5tc8A Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with methylthio-dadme-immucillin-a
31% identity, 93% coverage: 10:253/262 of query aligns to 4:251/273 of 5tc8A

query
sites
5tc8A

V

I

G

G

I

I

G

G

T
|
T

G

G

L

L

T

D

L

P

S

E

G

I

L

L

E

E

I

G

T

R

G

T

E

E

N

K

K

Y

A

V

G

D

T

T

P

P

W

F

G

G

M

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P
|
P

S

S

A

D

P

A

L

L

V

I

E

L

G

G

R

K

L

I

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K

D

N

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D

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L

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A

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H

H

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H
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H

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|
I

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x
M

P

P

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S

Q

K

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V

N

N

Y

Y

R

Q

A

A

N

N

L

I

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W

A

A

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L

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K

D

E

A

E

G

G

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C

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T

H

V

V

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I

G

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T

N

T

A
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A

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x
C

G
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G

G

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I

L

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R

A

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D

E

M

I

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Q

P

P

A

G

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D

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I

V

V

I

I

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I

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I

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F

F

Y

E

D

G

G

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D

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C

-

A

-

R

-

G

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H

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E

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E

I

V

L

L

I

I

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A

T

A

A

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K

A

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E

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G

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P

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x
F

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A

A

E

E

I

S

I

F

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M

M

F

E

R

R

T

D

W

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G

C

A

D

D

L

V

V
x
I

G
x
N

M
|
M

T
|
T

G

T

M

V

P

P

E

E

A

V

L

L

A

A

A

K

E

E

L

A

G

G

M

I

R

C

Y

Y

V

A

C

S

L

I

G

A

L

M

V

A

V
x
T

N
x
D

W

Y

A
x
D

A

C

G

W

K

K

S

E

-

H

D

E

H

E

I

A

I

V

T

S

M
x
V

E

D

E

R

I
x
V

E

L

A

K

A

T

I

L

E

K

Q

E

G

N

M

A

S

N

G

K

V

A

K

K

R

S

I

L

L

L

E

L

V

T

S

T

M

I

A

P

G

Q

L

I

G

G

active site: T10 (= T16), P33 (= P39), H57 (= H63), I59 (= I65), M60 (≠ P66), A86 (= A92), M188 (= M191), T189 (= T192), D212 (≠ N215), D214 (≠ A217), V225 (≠ M227)
binding (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol: T10 (= T16), A86 (= A92), C87 (≠ V93), G88 (= G94), F169 (≠ L172), I186 (≠ V189), N187 (≠ G190), M188 (= M191), T211 (≠ V214), D212 (≠ N215), D214 (≠ A217), V228 (≠ I230)

5tc6A Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with propylthio-immucillin-a
31% identity, 93% coverage: 10:253/262 of query aligns to 4:251/273 of 5tc6A

query
sites
5tc6A

V

I

G

G

I

I

G

G

T
|
T

G

G

L

L

T

D

L

P

S

E

G

I

L

L

E

E

I

G

T

R

G

T

E

E

N

K

K

Y

A

V

G

D

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T

P

P

W

F

G

G

M

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P
|
P

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S

A

D

P

A

L

L

V

I

E

L

G

G

R

K

L

I

G

K

D

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D

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V

F

L

L

L

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A

R

R

H

H

G

G

N

R

P

Q

H
|
H

R

T

I
|
I

P
x
M

P

P

H

S

Q

K

V

V

N

N

Y

Y

R

Q

A

A

N

N

L

I

K

W

A

A

L

L

Y

K

D

E

A

E

G

G

V

C

R

T

T

H

V

V

V

I

G

V

V

T

N

T

A
|
A

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x
C

G
|
G

G

S

I

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R

A

E

D

E

M

I

G

Q

P

P

A

G

H

D

V

I

V

V

I

I

P

I

D

D

Q

Q

I

F

I

I

D

D

Y

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T

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F

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D

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S

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C

-

A

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-

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H

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A

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A

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x
F

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A

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E

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S

I

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M

M

F

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N

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M

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T

G

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M

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P

P

E

E

A

V

L

L

A

A

A

K

E

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G

M

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R

C

Y

Y

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A

C

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I

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A

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A

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x
D

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x
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A

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A

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x
V

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x
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A

S

N

G

K

V

A

K

K

R

S

I

L

L

L

E

L

V

T

S

T

M

I

A

P

G

Q

L

I

G

G

active site: T10 (= T16), P33 (= P39), H57 (= H63), I59 (= I65), M60 (≠ P66), A86 (= A92), M188 (= M191), T189 (= T192), D212 (≠ N215), D214 (≠ A217), V225 (≠ M227)
binding (2S,3S,4R,5S)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(propylsulfanyl)methyl]pyrrolidine-3,4-diol: T10 (= T16), A86 (= A92), C87 (≠ V93), G88 (= G94), F169 (≠ L172), N187 (≠ G190), M188 (= M191), D212 (≠ N215), V225 (≠ M227), V228 (≠ I230), L229 (≠ E231)

3ozcA Crystal structure of human 5'-deoxy-5'-methyladenosine phosphorylase in complex with pcl-phenylthiodadmeimma
31% identity, 93% coverage: 10:253/262 of query aligns to 4:251/273 of 3ozcA

query
sites
3ozcA

V

I

G

G

I

I

G

G

T
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T

G

G

L

L

T

D

L

P

S

E

G

I

L

L

E

E

I

G

T

R

G

T

E

E

N

K

K

Y

A

V

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D

T

T

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P

W

F

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M

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P
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P

S

S

A

D

P

A

L

L

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E

L

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L

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Q

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D

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A

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H

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H

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x
M

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K

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V

N

N

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Y

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A

A

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N

L

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A

A

L

L

Y

K

D

E

A

E

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C

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H

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V

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T

A
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A

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x
C

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G

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L

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R

A

E

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E

M

I

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P

A

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D

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I

V

V

I

I

P

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D

Q

Q

I

F

I

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D

Y

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T

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T

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M

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R

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P

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Q

T

S

F

F

F

Y

E

D

G

G

S

S

L

H

D

S

S

C

-

A

-

R

-

G

V

V

T

C

H

H

I

I

D

P

F

M

T

A

W

E

P

P

Y

F

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C

E

P

S

K

A

T

R

R

Q

E

I

V

L

L

I

I

D

E

A

T

A

A

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K

A

K

E

L

N

G

V

L

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R

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C

S

H

G

S

F

K

G

G

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T

Y

M

G

V

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T

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E

G

G

P

P

R

R

L
x
F

E

S

T

S

A

R

A

A

E

E

I

S

I

F

R

M

M

F

E

R

R

T

D

W

G

G

C

A

D

D

L

V

V
x
I

G
x
N

M
|
M

T
|
T

G

T

M

V

P

P

E

E

A

V

L

L

A

A

A

K

E

E

L

A

G

G

M

I

R

C

Y

Y

V

A

C

S

L

I

G

A

L

M

V

A

V

T

N
x
D

W

Y

A
x
D

A

C

G

W

K

K

S

E

-

H

D

E

H

E

I

A

I

V

T

S

M
x
V

E

D

E

R

I
x
V

E
x
L

A

K

A

T

I

L

E

K

Q

E

G

N

M

A

S

N

G

K

V

A

K

K

R

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L

L

L

E

L

V

T

S

T

M

I

A

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Q

L

I

G

G

active site: T10 (= T16), P33 (= P39), H57 (= H63), I59 (= I65), M60 (≠ P66), A86 (= A92), M188 (= M191), T189 (= T192), D212 (≠ N215), D214 (≠ A217), V225 (≠ M227)
binding (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol: T10 (= T16), H57 (= H63), A86 (= A92), C87 (≠ V93), G88 (= G94), F169 (≠ L172), I186 (≠ V189), N187 (≠ G190), M188 (= M191), D212 (≠ N215), D214 (≠ A217), V228 (≠ I230), L229 (≠ E231)

5tc5A Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with butylthio-dadme-immucillin-a and chloride
31% identity, 93% coverage: 10:253/262 of query aligns to 17:264/286 of 5tc5A

query
sites
5tc5A

V

I

G

G

I

I

G

G

T
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T

G

G

L

L

T

D

L

P

S

E

G

I

L

L

E

E

I

G

T

R

G

T

E

E

N

K

K

Y

A

V

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P

S

S

A

D

P

A

L

L

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E

L

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G

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K

L

I

G

K

D

N

Q

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D

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L

L

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A

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R

H

H

G

G

N

R

P

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H
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H

R

T

I
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I

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x
M

P

P

H

S

Q

K

V

V

N

N

Y

Y

R

Q

A

A

N

N

L

I

K

W

A

A

L

L

Y

K

D

E

A

E

G

G

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C

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T

T

H

V

V

V

I

G

V

V

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N

T

A
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A

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x
C

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G

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I

L

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R

A

E

D

E

M

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P

A

G

H

D

V

I

V

V

I

I

P

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Q

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M

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D

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S

L

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D

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C

-

A

-

R

-

G

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H

I

I

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M

T

A

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P

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F

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P

S

K

A

T

R

R

Q

E

I

V

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L

I

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A

T

A

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K

A

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N

G

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L

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S

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K

G

G

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Y

M

G

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T

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E

G

G

P

P

R

R

L
x
F

E

S

T

S

A

R

A

A

E

E

I

S

I

F

R

M

M

F

E

R

R

T

D

W

G

G

C

A

D

D

L

V

V
x
I

G

N

M
|
M

T
|
T

G

T

M

V

P

P

E

E

A

V

L

L

A

A

A

K

E

E

L

A

G

G

M

I

R

C

Y

Y

V

A

C

S

L

I

G

A

L

M

V

A

V

T

N
x
D

W

Y

A
x
D

A

C

G

W

K

K

S

E

-

H

D

E

H

E

I

A

I

V

T

S

M
x
V

E

D

E

R

I
x
V

E

L

A

K

A

T

I

L

E

K

Q

E

G

N

M

A

S

N

G

K

V

A

K

K

R

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L

L

L

E

L

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S

T

M

I

A

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Q

L

I

G

G

active site: T23 (= T16), P46 (= P39), H70 (= H63), I72 (= I65), M73 (≠ P66), A99 (= A92), M201 (= M191), T202 (= T192), D225 (≠ N215), D227 (≠ A217), V238 (≠ M227)
binding (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol: A99 (= A92), C100 (≠ V93), G101 (= G94), F182 (≠ L172), I199 (≠ V189), M201 (= M191), D225 (≠ N215), D227 (≠ A217), V241 (≠ I230)

6dz0A Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with (3r,4s)-1-((4-amino-5h-pyrrolo[3,2- d]pyrimidin-7-yl)methyl)-4-((pent-4-yn-1-ylthio)methyl)pyrrolidin-3- ol (see paper)
31% identity, 93% coverage: 10:253/262 of query aligns to 6:253/274 of 6dz0A

query
sites
6dz0A

V

I

G

G

I

I

G

G

G
|
G

T
|
T

G

G

L

L

T

D

L

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S

E

G

I

L

L

E

E

I

G

T

R

G

T

E

E

N

K

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Y

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P

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A

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L

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I

E

L

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L

I

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D

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L

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R

H
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H

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H
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H

R

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I
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I

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x
M

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K

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V

N

N

Y

Y

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A

A

N

N

L

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A

A

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D

E

A

E

G

G

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C

R

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T

H

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N
x
T

A
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A

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x
C

G
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G

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A

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D

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M

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P

A

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I

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V

I

I

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I

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D

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Q

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F

I

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F

F

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D

G

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L

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S

S

C

-

A

-

R

-

G

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C

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H

I

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M

T

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E

I

V

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L

I

I

D

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A

T

A

A

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K

A

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L

N

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S

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G

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M

G

V

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T

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Q

E

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G

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P

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x
F

E

S

T

S

A

R

A

A

E

E

I

S

I

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R

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M

F

E

R

R

T

D

W

G

G

C

A

D

D

L

V

V
x
I

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x
N

M
|
M

T
|
T

G

T

M

V

P

P

E

E

A

V

L

L

A

A

A

K

E

E

L

A

G

G

M

I

R

C

Y

Y

V

A

C

S

L

I

G

A

L

M

V

A

V
x
T

N
x
D

W

Y

A
x
D

A

C

G

W

K

K

S

E

-

H

D

E

H

E

I

A

I

V

T

S

M
x
V

E

D

E

R

I
x
V

E

L

A

K

A

T

I

L

E

K

Q

E

G

N

M

A

S

N

G

K

V

A

K

K

R

S

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L

L

L

E

L

V

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S

T

M

I

A

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Q

L

I

G

G

active site: T12 (= T16), P35 (= P39), H59 (= H63), I61 (= I65), M62 (≠ P66), A88 (= A92), M190 (= M191), T191 (= T192), D214 (≠ N215), D216 (≠ A217), V227 (≠ M227)
binding (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(pent-4-yn-1-yl)sulfanyl]methyl}pyrrolidin-3-ol: T12 (= T16), H59 (= H63), A88 (= A92), C89 (≠ V93), G90 (= G94), F171 (≠ L172), I188 (≠ V189), N189 (≠ G190), M190 (= M191), T213 (≠ V214), D214 (≠ N215), D216 (≠ A217), V227 (≠ M227), V230 (≠ I230)
binding phosphate ion: G11 (= G15), T12 (= T16), R54 (= R58), H55 (= H59), T87 (≠ N91), T191 (= T192)

1k27A Crystal structure of 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with a transition state analogue (see paper)
31% identity, 93% coverage: 10:253/262 of query aligns to 4:248/270 of 1k27A

query
sites
1k27A

V

I

G

G

I

I

G

G

G
|
G

T
|
T

G

G

L

L

T

D

L

P

S

E

G

I

L

L

E

E

I

G

T

R

G

T

E

E

N

K

K

Y

A

V

G

D

T

T

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P

W

F

G

G

M

K

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|
P

S

S

A

D

P

A

L

L

V

I

E

L

G

G

R

K

L

I

G

K

D

N

Q

V

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D

V

C

M

V

F

L

L

L

S

A

R
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R

H
|
H

G

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N

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Q

H
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H

R

T

I
|
I

P
x
M

P

P

H

S

Q

K

V

V

N

N

Y

Y

R

Q

A

A

N

N

L

I

K

W

A

A

L

L

Y

K

D

E

A

E

G

G

V

C

R

T

T

H

V

V

V

I

G

V

V

T

N
x
T

A
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A

V
x
C

G
|
G

G

S

I

L

H

R

A

E

D

E

M

I

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P

P

A

G

H

D

V

I

V

V

I

I

P

I

D

D

Q

Q

I

F

I

I

D

D

Y

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T

T

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T

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M

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A

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Q

T

S

F

F

F

Y

E

D

G

G

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S

L

H

D

S

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C

-

A

-

R

-

G

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T

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H

I

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M

T

A

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E

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P

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K

A

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E

I

V

L

L

I

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D

E

A

T

A

A

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K

A

K

E

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N

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F

K

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G

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M

G

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I

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E

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G

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P

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L
x
F

E

S

T

S

A

R

A

A

E

E

I

S

I

F

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M

M

F

E

R

R

T

D

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G

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A

D

D

L

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V

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x
N

M
|
M

T
|
T

G

T

M

V

P

P

E

E

A

V

L

L

A

A

A

K

E

E

L

A

G

G

M

I

R

C

Y

Y

V

A

C

S

L

I

G

A

L

M

V

A

V

T

N
x
D

W

Y

A
x
D

A

C

G

W

K

-

S

-

D

E

H

E

I

A

I

V

T

S

M
x
V

E

D

E

R

I
x
V

E

L

A

K

A

T

I

L

E

K

Q

E

G

N

M

A

S

N

G

K

V

A

K

K

R

S

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L

L

L

E

L

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T

S

T

M

I

A

P

G

Q

L

I

G

G

active site: T10 (= T16), P33 (= P39), H57 (= H63), I59 (= I65), M60 (≠ P66), A86 (= A92), M188 (= M191), T189 (= T192), D212 (≠ N215), D214 (≠ A217), V222 (≠ M227)
binding (3s,4r)-2-(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(methylsulfanyl)methyl]pyrrolidine-3,4-diol: A86 (= A92), C87 (≠ V93), G88 (= G94), F169 (≠ L172), N187 (≠ G190), M188 (= M191), D212 (≠ N215), V225 (≠ I230)
binding phosphate ion: G9 (= G15), T10 (= T16), R52 (= R58), H53 (= H59), T85 (≠ N91), A86 (= A92), T189 (= T192)

1sd1A Structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase complexed with formycin a (see paper)
31% identity, 93% coverage: 10:253/262 of query aligns to 4:246/268 of 1sd1A

query
sites
1sd1A

V

I

G

G

I

I

G

G

T
|
T

G

G

L

L

T

D

L

P

S

E

G

I

L

L

E

E

I

G

T

R

G

T

E

E

N

K

K

Y

A

V

G

D

T

T

P

P

W

F

G

G

M

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P
|
P

S

S

A

D

P

A

L

L

V

I

E

L

G

G

R

K

L

I

G

K

D

N

Q

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P

D

V

C

M

V

F

L

L

L

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A

R

R

H

H

G

G

N

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H
|
H

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T

I
|
I

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x
M

P

P

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active site: T10 (= T16), P33 (= P39), H57 (= H63), I59 (= I65), M60 (≠ P66), A86 (= A92), M188 (= M191), T189 (= T192), D212 (≠ N215), D214 (≠ A217), V220 (≠ M227)
binding (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol: A86 (= A92), C87 (≠ V93), G88 (= G94), F169 (≠ L172), I186 (≠ V189), N187 (≠ G190), M188 (= M191), D212 (≠ N215), D214 (≠ A217)

Query Sequence

>GFF2311 FitnessBrowser__Marino:GFF2311
MTSPEKMHPVGIIGGTGLTTLSGLEITGENKAGTPWGMPSAPLVEGRLGDQPVMFLSRHG
NPHRIPPHQVNYRANLKALYDAGVRTVVGVNAVGGIHADMGPAHVVIPDQIIDYTWGRAS
TFFEGSLDSVTHIDFTWPYDESARQILIDAAGAENVPFSGFGVYGATQGPRLETAAEIIR
MERDGCDLVGMTGMPEAALAAELGMRYVCLGLVVNWAAGKSDHIITMEEIEAAIEQGMSG
VKRILEVSMAGLGVLTPLPQSS

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