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)
44% identity, 95% coverage: 11:251/253 of query aligns to 4:246/265 of Q8U2I1

query
sites
Q8U2I1

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C136 (≠ T141) modified: Disulfide link with 202
C162 (≠ A167) modified: Disulfide link with 190
E169 (= E174) 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 (≠ M195) modified: Disulfide link with 162
C202 (≠ E207) modified: Disulfide link with 136
N211 (= N216) 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 (= A218) 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 (≠ I229) 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:

1 modified: Initiator methionine, Removed
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.

9jd2A Crystal structure of 5'-deoxy-5'-methylthioadenosine phosphorylase from aeropyrum pernix complex with 5'-deoxy-5'-methylthioadenosine 353k
45% identity, 82% coverage: 11:217/253 of query aligns to 12:218/273 of 9jd2A

query
sites
9jd2A

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binding 5'-deoxy-5'-methylthioadenosine: V95 (= V94), G96 (= G95), F173 (≠ L173), I191 (≠ V190), M193 (= M192), D217 (≠ N216)

Sites not aligning to the query:

binding 5'-deoxy-5'-methylthioadenosine: 231

1wtaA Crystal structure of 5'-deoxy-5'-methylthioadenosine from aeropyrum pernix (r32 form)
45% identity, 82% coverage: 11:217/253 of query aligns to 12:218/273 of 1wtaA

query
sites
1wtaA

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active site: D217 (≠ N216)
binding adenine: V95 (= V94), G96 (= G95), F173 (≠ L173), I191 (≠ V190), D217 (≠ N216)

Sites not aligning to the query:

active site: 219
binding adenine: 219

3t94A Crystal structure of 5'-deoxy-5'-methylthioadenosine phosphorylase (mtap) ii complexed with 5'-deoxy-5'-methylthioadenosine and sulfate (see paper)
39% identity, 94% coverage: 11:248/253 of query aligns to 10:233/270 of 3t94A

query
sites
3t94A

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active site: S16 (= S17), P39 (≠ A40), H63 (= H64), I65 (≠ L66), P66 (= P67), A92 (= A93), M190 (= M192), T191 (= T193), D214 (≠ N216), D216 (≠ E231), A225 (≠ T240)
binding 5'-deoxy-5'-methylthioadenosine: G94 (= G95), F170 (≠ L173), I188 (≠ V190), M190 (= M192), D214 (≠ N216), A225 (≠ T240), V228 (= V243)

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)
39% identity, 94% coverage: 11:248/253 of query aligns to 10:233/270 of Q97W94

query
sites
Q97W94

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C138 (≠ T141) modified: Disulfide link with 205
C200 (≠ R202) modified: Disulfide link with 262
C205 (≠ E207) 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.

4gljA Crystal structure of methylthioadenosine phosphorylase in complex with rhodamine b (see paper)
43% identity, 82% coverage: 10:217/253 of query aligns to 5:213/287 of 4gljA

query
sites
4gljA

D

D

L

I

A

A

V

I

I

I

G

G

S
|
S

G

G

L

L

Y
|
Y

N

Q

F

M

P

Q

G

A

L

L

E

T

N

N

A

K

T

R

R

S

Q

V

A

K

V

I

D

E

T

T

P

P

Y

Y

G

G

P

E

A

P

S

S

G

D

D

D

V

I

V

V

L

L

G

G

D

E

F

L

A

N

R

G

K

V

R

T

V

V

A

A

F

F

L

L

A

T

R

R

H
|
H

G

G

E

Q

S

G

H

H

T

R

L

L

P

T

P

P

H

S

R

E

V

V

N

P

Y

Y

R

R

A

A

N

N

L

I

W

Y

A

A

L

L

H

K

S

T

L

L

G

G

A

V

R

R

R

Y

V

I

V

V

G

S

V

V

N

S

A
|
A

V

V

G
|
G

G

S

I

L

R

Q

G

E

D

T

M

L

G

K

P

P

R

L

V

D

I

M

V

V

V

I

P

P

D

D

Q

Q

L

M

I

I

D

D

Y

M

T

T

H

K

G

Q

R

R

I

V

T

S

S

T

Y

F

C

F

D

G

V

-

E

D

G

G

A

A

E

-

V

V

R

A

H

H

I

V

D

S

F

M

S

A

E

D

P

P

Y

L

T

C

E

P

A

E

L

V

R

A

R

D

Q

I

L

L

L

I

A

R

A

A

A

Y

R

D

A

N

A

A

G

-

V

-

E

D

V

I

V

A

D

D

G

G

G

Q

C

C

-

H

-

A

-

K

-

A

-

T

Y

Y

G

V

A

C

T

I

Q

E

G

G

P

P

R

Q

L
x
F

E

S

T

T

R

R

A

A

E

E

I

S

A

H

R

W

M

Y

K

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

V

K

L

L

A

A

R

R

E

E

L

A

A

S

L

I

E

A

Y

Y

A

A

C

T

L

L

A

A

L

L

V

V

A

T

N
x
D

F
|
F

active site: D212 (≠ N216)
binding N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium: S12 (= S17), Y15 (= Y20), H55 (= H60), A88 (= A93), G90 (= G95), F169 (≠ L173), F169 (≠ L173), I186 (≠ V190), G187 (= G191), M188 (= M192), D212 (≠ N216), F213 (= F217)

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

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, 96% coverage: 10:251/253 of query aligns to 3:238/257 of Q8U4Q8

query
sites
Q8U4Q8

D

K

L

I

A

G

V

I

I

I

G

G

S

S

G

G

L

V

Y

Y

N

G

F

I

P

-

G

-

L

F

E

E

N

P

A

K

T

E

R

T

Q

V

A

K

V

V

D

H

T

T

P

P

Y

Y

G

G

P

R

A

P

S

S

G

A

D

P

V

V

V

E

L

I

G

G

D

E

F

I

A

E

R

G

K

V

R

E

V

V

A

A

F

F

L

I

A

P

R

R

H

H

G

G

E

K

S

Y

H

H

T

E

L

F

P

P

H

H

R

E

V

V

N

P

Y

Y

R

R

A

A

N

N

L

I

W

W

A

A

L

L

H

H

S

E

L

L

G

G

A

V

R

E

R

R

V

V

V

I

G

A

V

V

N

N

A

A

V

V

G

G

G

S

I

L

R

K

G

E

D

E

M

Y

G

K

P

P

R

G

V

D

I

I

V

V

V

I

P

I

D

D

Q

Q

L

F

I

I

D

D

Y

F

T

T

H

K

G

K

R

R

I

-

T

-

S

E

Y

Y

C

T

D

F

V

Y

E

N

G

G

A

P

E

R

V

V

R

A

H

H

I

I

D

S

F

M

S

A

E

D

P

P

Y

F

T
x
C

E

P

A

E

L

L

R

R

Q

I

L

F

L

I

A

E

A

T

A

A

R

K

A

E

A

L

G

N

V

L

E

P

V

V

V

H

D

E

G

K

G

G

C

T

Y

Y

G

I

A

C

T

I

Q

E

G

G

P

P

R

R

L

F

E

S

T

T

R

R

A

A

E

E

I

-

A

S

R

R

M

M

K

F

R

R

D

Q

G

F

C

A

D

D

L

V

V

I

G

G

M

M

T

T

G

L

M

V

P

P

E

E

A

V

V

N

L

L

A

A

R

R

E

E

L

L

A

G

L

M

E
x
C

Y

Y

A

V

C

N

L

I

A

S

L

T

V

V

A

T

N

D

F

Y

A

D

A

V

G

W

C

A

G

-

D

-

Q

E

A

K

E

P

I

V

S

D

I

A

E

Q

E

E

I

V

F

L

A

R

H

V

L

M

A

K

A

E

A

N

T

E

A

E

E

K

V

V

P

Q

R

K

I

L

L

L

A

K

-

R

A

A

L

I

P

P

C130 (≠ T141) modified: Disulfide link with 195
C195 (≠ E207) modified: Disulfide link with 130

Sites not aligning to the query:

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

5tc5A Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with butylthio-dadme-immucillin-a and chloride
33% identity, 94% coverage: 9:247/253 of query aligns to 15:256/286 of 5tc5A

query
sites
5tc5A

L

V

D

K

L

I

A

G

V

I

I

I

G

G

S
x
T

G

G

L

L

Y

D

N

D

F

P

P

E

G

I

L

L

E

E

N

G

A

R

T

T

R

E

Q

K

A

Y

V

V

D

D

T

T

P

P

Y

F

G

G

P

K

A
x
P

S

S

G

D

D

A

V

L

V

I

L

L

G

G

D

K

F

I

A

K

R

N

K

V

R

D

V

C

A

V

F

L

L

L

A

A

R

R

H

H

G

G

E

R

S

Q

H
|
H

T

T

L
x
I

P
x
M

P

P

H

S

R

K

V

V

N

N

Y

Y

R

Q

A

A

N

N

L

I

W

W

A

A

L

L

H

K

S

E

L

E

G

G

A

C

R

T

R

H

V

V

V

I

G

V

V

T

N

T

A
|
A

V
x
C

G
|
G

G

S

I

L

R

R

G

E

D

E

M

I

G

Q

P

P

R

G

V

D

I

I

V

V

V

I

P

I

D

D

Q

Q

L

F

I

I

D

D

Y

R

T

T

H

T

G

M

R

R

I

P

T

Q

S

S

Y

F

C

Y

D

D

V

G

E

S

G

H

A

S

E

C

V

A

R

R

-

G

-

V

-

C

H

H

I

I

D

P

F

M

S

A

E

E

P

P

Y

F

T

C

E

P

A

K

L

T

R

R

R

E

Q

V

L

L

L

I

A

E

A

T

A

A

R

K

A

K

A

L

G

G

V

L

E

R

V

C

V

H

D

S

G

K

G

G

C

T

Y

M

G

V

A

T

T

I

Q

E

G

G

P

P

R

R

L
x
F

E

S

T

S

R

R

A

A

E

E

I

S

A

F

R

M

M

F

K

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

V

V

L

L

A

A

R

K

E

E

L

A

A

G

L

I

E

C

Y

Y

A

A

C

S

L

I

A

A

L

M

V

A

A

T

N
x
D

F

Y

A
x
D

A

C

G

W

C

K

G

E

D

H

Q

E

A

E

E

A

I

V

S

S

I
x
V

E

D

E

R

I
x
V

F

L

A

K

H

T

L

L

A

K

A

E

A

N

T

A

A

N

E

K

V

A

P

K

R

S

I

L

L

L

active site: T23 (≠ S17), P46 (≠ A40), H70 (= H64), I72 (≠ L66), M73 (≠ P67), A99 (= A93), M201 (= M192), T202 (= T193), D225 (≠ N216), D227 (≠ A218), V238 (≠ I229)
binding (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol: A99 (= A93), C100 (≠ V94), G101 (= G95), F182 (≠ L173), I199 (≠ V190), M201 (= M192), D225 (≠ N216), D227 (≠ A218), V241 (≠ I232)

5eubA Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with 2-amino-mta and sulfate
33% identity, 94% coverage: 9:247/253 of query aligns to 1:242/272 of 5eubA

query
sites
5eubA

L

V

D

K

L

I

A

G

V

I

I

I

G

G

S
x
T

G

G

L

L

Y

D

N

D

F

P

P

E

G

I

L

L

E

E

N

G

A

R

T

T

R

E

Q

K

A

Y

V

V

D

D

T

T

P

P

Y

F

G

G

P

K

A
x
P

S

S

G

D

D

A

V

L

V

I

L

L

G

G

D

K

F

I

A

K

R

N

K

V

R

D

V

C

A

V

F

L

L

L

A

A

R

R

H

H

G

G

E

R

S

Q

H
|
H

T

T

L
x
I

P
x
M

P

P

H

S

R

K

V

V

N

N

Y

Y

R

Q

A

A

N

N

L

I

W

W

A

A

L

L

H

K

S

E

L

E

G

G

A

C

R

T

R

H

V

V

V

I

G

V

V

T

N

T

A
|
A

V
x
C

G
|
G

G

S

I

L

R

R

G

E

D

E

M

I

G

Q

P

P

R

G

V

D

I

I

V

V

V

I

P

I

D

D

Q

Q

L

F

I

I

D

D

Y

R

T

T

H

T

G

M

R

R

I

P

T

Q

S

S

Y

F

C

Y

D

D

V

G

E

S

G

H

A

S

E

C

V

A

R

R

-

G

-

V

-

C

H

H

I

I

D

P

F

M

S

A

E

E

P

P

Y

F

T

C

E

P

A

K

L

T

R

R

R

E

Q

V

L

L

L

I

A

E

A

T

A

A

R

K

A

K

A

L

G

G

V

L

E

R

V

C

V

H

D

S

G

K

G

G

C

T

Y

M

G

V

A

T

T

I

Q

E

G

G

P

P

R

R

L
x
F

E

S

T

S

R

R

A

A

E

E

I

S

A

F

R

M

M

F

K

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

V

V

L

L

A

A

R

K

E

E

L

A

A

G

L

I

E

C

Y

Y

A

A

C

S

L

I

A

A

L

M

V

A

A
x
T

N
x
D

F

Y

A
x
D

A

C

G

W

C

K

G

E

D

H

Q

E

A

E

E

A

I

V

S

S

I
x
V

E

D

E

R

I
x
V

F

L

A

K

H

T

L

L

A

K

A

E

A

N

T

A

A

N

E

K

V

A

P

K

R

S

I

L

L

L

active site: T9 (≠ S17), P32 (≠ A40), H56 (= H64), I58 (≠ L66), M59 (≠ P67), A85 (= A93), M187 (= M192), T188 (= T193), D211 (≠ N216), D213 (≠ A218), V224 (≠ I229)
binding (2~{R},3~{R},4~{S},5~{S})-2-[2,6-bis(azanyl)purin-9-yl]-5-(methylsulfanylmethyl)oxolane-3,4-diol: A85 (= A93), C86 (≠ V94), G87 (= G95), F168 (≠ L173), I185 (≠ V190), N186 (≠ G191), T210 (≠ A215), D211 (≠ N216), D213 (≠ A218), V227 (≠ I232)

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)
33% identity, 94% coverage: 9:247/253 of query aligns to 2:243/273 of 6dz3A

query
sites
6dz3A

L

V

D

K

L

I

A

G

V

I

I

I

G

G

S
x
T

G

G

L

L

Y

D

N

D

F

P

P

E

G

I

L

L

E

E

N

G

A

R

T

T

R

E

Q

K

A

Y

V

V

D

D

T

T

P

P

Y

F

G

G

P

K

A
x
P

S

S

G

D

D

A

V

L

V

I

L

L

G

G

D

K

F

I

A

K

R

N

K

V

R

D

V

C

A

V

F

L

L

L

A

A

R

R

H

H

G

G

E

R

S

Q

H
|
H

T

T

L
x
I

P
x
M

P

P

H

S

R

K

V

V

N

N

Y

Y

R

Q

A

A

N

N

L

I

W

W

A

A

L

L

H

K

S

E

L

E

G

G

A

C

R

T

R

H

V

V

V

I

G

V

V
x
T

N

T

A
|
A

V
x
C

G
|
G

G

S

I

L

R

R

G

E

D

E

M

I

G

Q

P

P

R

G

V

D

I

I

V

V

V

I

P

I

D

D

Q

Q

L

F

I

I

D

D

Y

R

T

T

H

T

G

M

R

R

I

P

T

Q

S

S

Y

F

C

Y

D

D

V

G

E

S

G

H

A

S

E

C

V

A

R

R

-

G

-

V

-

C

H

H

I

I

D

P

F

M

S

A

E

E

P

P

Y

F

T

C

E

P

A

K

L

T

R

R

R

E

Q

V

L

L

L

I

A

E

A

T

A

A

R

K

A

K

A

L

G

G

V

L

E

R

V

C

V

H

D

S

G

K

G

G

C

T

Y

M

G

V

A

T

T

I

Q

E

G

G

P

P

R

R

L
x
F

E

S

T

S

R

R

A

A

E

E

I

S

A

F

R

M

M

F

K

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

V

V

L

L

A

A

R

K

E

E

L

A

A

G

L

I

E

C

Y

Y

A

A

C

S

L

I

A

A

L

M

V

A

A

T

N
x
D

F

Y

A
x
D

A

C

G

W

C

K

G

E

D

H

Q

E

A

E

E

A

I

V

S

S

I
x
V

E

D

E

R

I
x
V

F

L

A

K

H

T

L
|
L

A

K

A

E

A

N

T

A

A

N

E

K

V

A

P

K

R

S

I

L

L

L

active site: T10 (≠ S17), P33 (≠ A40), H57 (= H64), I59 (≠ L66), M60 (≠ P67), A86 (= A93), M188 (= M192), T189 (= T193), D212 (≠ N216), D214 (≠ A218), V225 (≠ I229)
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 (≠ V91), A86 (= A93), C87 (≠ V94), G88 (= G95), F169 (≠ L173), I186 (≠ V190), N187 (≠ G191), M188 (= M192), D212 (≠ N216), D214 (≠ A218), V228 (≠ I232), L232 (= L236)

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)
33% identity, 94% coverage: 9:247/253 of query aligns to 2:243/273 of 6dyzA

query
sites
6dyzA

L

V

D

K

L

I

A

G

V

I

I

I

G

G

G
|
G

S
x
T

G

G

L

L

Y

D

N

D

F

P

P

E

G

I

L

L

E

E

N

G

A

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T

T

R

E

Q

K

A

Y

V

V

D

D

T

T

P

P

Y

F

G

G

P

K

A
x
P

S

S

G

D

D

A

V

L

V

I

L

L

G

G

D

K

F

I

A

K

R

N

K

V

R

D

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C

A

V

F

L

L

L

A

A

R
|
R

H
|
H

G

G

E

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Q

H
|
H

T

T

L
x
I

P
x
M

P

P

H

S

R

K

V

V

N

N

Y

Y

R

Q

A

A

N

N

L

I

W

W

A

A

L

L

H

K

S

E

L

E

G

G

A

C

R

T

R

H

V

V

V

I

G

V

V

T

N
x
T

A
|
A

V
x
C

G
|
G

G

S

I

L

R

R

G

E

D

E

M

I

G

Q

P

P

R

G

V

D

I

I

V

V

V

I

P

I

D

D

Q

Q

L

F

I

I

D

D

Y

R

T

T

H

T

G

M

R

R

I

P

T

Q

S

S

Y

F

C

Y

D

D

V

G

E

S

G

H

A

S

E

C

V

A

R

R

-

G

-

V

-

C

H

H

I

I

D

P

F

M

S

A

E

E

P

P

Y

F

T

C

E

P

A

K

L

T

R

R

R

E

Q

V

L

L

L

I

A

E

A

T

A

A

R

K

A

K

A

L

G

G

V

L

E

R

V

C

V

H

D

S

G

K

G

G

C

T

Y

M

G

V

A

T

T

I

Q

E

G

G

P

P

R

R

L
x
F

E

S

T

S

R

R

A

A

E

E

I

S

A

F

R

M

M

F

K

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

V

V

L

L

A

A

R

K

E

E

L

A

A

G

L

I

E

C

Y

Y

A

A

C

S

L

I

A

A

L

M

V

A

A

T

N
x
D

F

Y

A
x
D

A

C

G

W

C

K

G

E

D

H

Q

E

A

E

E

A

I

V

S

S

I
x
V

E

D

E

R

I
x
V

F

L

A

K

H

T

L

L

A

K

A

E

A

N

T

A

A

N

E

K

V

A

P

K

R

S

I

L

L

L

active site: T10 (≠ S17), P33 (≠ A40), H57 (= H64), I59 (≠ L66), M60 (≠ P67), A86 (= A93), M188 (= M192), T189 (= T193), D212 (≠ N216), D214 (≠ A218), V225 (≠ I229)
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 (≠ S17), H57 (= H64), A86 (= A93), C87 (≠ V94), G88 (= G95), F169 (≠ L173), I186 (≠ V190), N187 (≠ G191), M188 (= M192), D212 (≠ N216), D214 (≠ A218), V228 (≠ I232)
binding phosphate ion: G9 (= G16), T10 (≠ S17), R52 (= R59), H53 (= H60), T85 (≠ N92), A86 (= A93), T189 (= T193)

5tc8A Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with methylthio-dadme-immucillin-a
33% identity, 94% coverage: 9:247/253 of query aligns to 2:243/273 of 5tc8A

query
sites
5tc8A

L

V

D

K

L

I

A

G

V

I

I

I

G

G

S
x
T

G

G

L

L

Y

D

N

D

F

P

P

E

G

I

L

L

E

E

N

G

A

R

T

T

R

E

Q

K

A

Y

V

V

D

D

T

T

P

P

Y

F

G

G

P

K

A
x
P

S

S

G

D

D

A

V

L

V

I

L

L

G

G

D

K

F

I

A

K

R

N

K

V

R

D

V

C

A

V

F

L

L

L

A

A

R

R

H

H

G

G

E

R

S

Q

H
|
H

T

T

L
x
I

P
x
M

P

P

H

S

R

K

V

V

N

N

Y

Y

R

Q

A

A

N

N

L

I

W

W

A

A

L

L

H

K

S

E

L

E

G

G

A

C

R

T

R

H

V

V

V

I

G

V

V

T

N

T

A
|
A

V
x
C

G
|
G

G

S

I

L

R

R

G

E

D

E

M

I

G

Q

P

P

R

G

V

D

I

I

V

V

V

I

P

I

D

D

Q

Q

L

F

I

I

D

D

Y

R

T

T

H

T

G

M

R

R

I

P

T

Q

S

S

Y

F

C

Y

D

D

V

G

E

S

G

H

A

S

E

C

V

A

R

R

-

G

-

V

-

C

H

H

I

I

D

P

F

M

S

A

E

E

P

P

Y

F

T

C

E

P

A

K

L

T

R

R

R

E

Q

V

L

L

L

I

A

E

A

T

A

A

R

K

A

K

A

L

G

G

V

L

E

R

V

C

V

H

D

S

G

K

G

G

C

T

Y

M

G

V

A

T

T

I

Q

E

G

G

P

P

R

R

L
x
F

E

S

T

S

R

R

A

A

E

E

I

S

A

F

R

M

M

F

K

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

V

V

L

L

A

A

R

K

E

E

L

A

A

G

L

I

E

C

Y

Y

A

A

C

S

L

I

A

A

L

M

V

A

A
x
T

N
x
D

F

Y

A
x
D

A

C

G

W

C

K

G

E

D

H

Q

E

A

E

E

A

I

V

S

S

I
x
V

E

D

E

R

I
x
V

F

L

A

K

H

T

L

L

A

K

A

E

A

N

T

A

A

N

E

K

V

A

P

K

R

S

I

L

L

L

active site: T10 (≠ S17), P33 (≠ A40), H57 (= H64), I59 (≠ L66), M60 (≠ P67), A86 (= A93), M188 (= M192), T189 (= T193), D212 (≠ N216), D214 (≠ A218), V225 (≠ I229)
binding (3r,4s)-1-[(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(methylsulfanyl)methyl]pyrrolidin-3-ol: T10 (≠ S17), A86 (= A93), C87 (≠ V94), G88 (= G95), F169 (≠ L173), I186 (≠ V190), N187 (≠ G191), M188 (= M192), T211 (≠ A215), D212 (≠ N216), D214 (≠ A218), V228 (≠ I232)

5tc6A Crystal structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with propylthio-immucillin-a
33% identity, 94% coverage: 9:247/253 of query aligns to 2:243/273 of 5tc6A

query
sites
5tc6A

L

V

D

K

L

I

A

G

V

I

I

I

G

G

S
x
T

G

G

L

L

Y

D

N

D

F

P

P

E

G

I

L

L

E

E

N

G

A

R

T

T

R

E

Q

K

A

Y

V

V

D

D

T

T

P

P

Y

F

G

G

P

K

A
x
P

S

S

G

D

D

A

V

L

V

I

L

L

G

G

D

K

F

I

A

K

R

N

K

V

R

D

V

C

A

V

F

L

L

L

A

A

R

R

H

H

G

G

E

R

S

Q

H
|
H

T

T

L
x
I

P
x
M

P

P

H

S

R

K

V

V

N

N

Y

Y

R

Q

A

A

N

N

L

I

W

W

A

A

L

L

H

K

S

E

L

E

G

G

A

C

R

T

R

H

V

V

V

I

G

V

V

T

N

T

A
|
A

V
x
C

G
|
G

G

S

I

L

R

R

G

E

D

E

M

I

G

Q

P

P

R

G

V

D

I

I

V

V

V

I

P

I

D

D

Q

Q

L

F

I

I

D

D

Y

R

T

T

H

T

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M

R

R

I

P

T

Q

S

S

Y

F

C

Y

D

D

V

G

E

S

G

H

A

S

E

C

V

A

R

R

-

G

-

V

-

C

H

H

I

I

D

P

F

M

S

A

E

E

P

P

Y

F

T

C

E

P

A

K

L

T

R

R

R

E

Q

V

L

L

L

I

A

E

A

T

A

A

R

K

A

K

A

L

G

G

V

L

E

R

V

C

V

H

D

S

G

K

G

G

C

T

Y

M

G

V

A

T

T

I

Q

E

G

G

P

P

R

R

L
x
F

E

S

T

S

R

R

A

A

E

E

I

S

A

F

R

M

M

F

K

R

R

T

D

W

G

G

C

A

D

D

L

V

V

I

G
x
N

M
|
M

T
|
T

G

T

M

V

P

P

E

E

A

V

V

V

L

L

A

A

R

K

E

E

L

A

A

G

L

I

E

C

Y

Y

A

A

C

S

L

I

A

A

L

M

V

A

A

T

N
x
D

F

Y

A
x
D

A

C

G

W

C

K

G

E

D

H

Q

E

A

E

E

A

I

V

S

S

I
x
V

E

D

E

R

I
x
V

F
x
L

A

K

H

T

L

L

A

K

A

E

A

N

T

A

A

N

E

K

V

A

P

K

R

S

I

L

L

L

active site: T10 (≠ S17), P33 (≠ A40), H57 (= H64), I59 (≠ L66), M60 (≠ P67), A86 (= A93), M188 (= M192), T189 (= T193), D212 (≠ N216), D214 (≠ A218), V225 (≠ I229)
binding (2S,3S,4R,5S)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(propylsulfanyl)methyl]pyrrolidine-3,4-diol: T10 (≠ S17), A86 (= A93), C87 (≠ V94), G88 (= G95), F169 (≠ L173), N187 (≠ G191), M188 (= M192), D212 (≠ N216), V225 (≠ I229), V228 (≠ I232), L229 (≠ F233)

3ozcA Crystal structure of human 5'-deoxy-5'-methyladenosine phosphorylase in complex with pcl-phenylthiodadmeimma
33% identity, 94% coverage: 9:247/253 of query aligns to 2:243/273 of 3ozcA

query
sites
3ozcA

L

V

D

K

L

I

A

G

V

I

I

I

G

G

S
x
T

G

G

L

L

Y

D

N

D

F

P

P

E

G

I

L

L

E

E

N

G

A

R

T

T

R

E

Q

K

A

Y

V

V

D

D

T

T

P

P

Y

F

G

G

P

K

A
x
P

S

S

G

D

D

A

V

L

V

I

L

L

G

G

D

K

F

I

A

K

R

N

K

V

R

D

V

C

A

V

F

L

L

L

A

A

R

R

H

H

G

G

E

R

S

Q

H
|
H

T

T

L
x
I

P
x
M

P

P

H

S

R

K

V

V

N

N

Y

Y

R

Q

A

A

N

N

L

I

W

W

A

A

L

L

H

K

S

E

L

E

G

G

A

C

R

T

R

H

V

V

V

I

G

V

V

T

N

T

A
|
A

V
x
C

G
|
G

G

S

I

L

R

R

G

E

D

E

M

I

G

Q

P

P

R

G

V

D

I

I

V

V

V

I

P

I

D

D

Q

Q

L

F

I

I

D

D

Y

R

T

T

H

T

G

M

R

R

I

P

T

Q

S

S

Y

F

C

Y

D

D

V

G

E

S

G

H

A

S

E

C

V

A

R

R

-

G

-

V

-

C

H

H

I

I

D

P

F

M

S

A

E

E

P

P

Y

F

T

C

E

P

A

K

L

T

R

R

R

E

Q

V

L

L

L

I

A

E

A

T

A

A

R

K

A

K

A

L

G

G

V

L

E

R

V

C

V

H

D

S

G

K

G

G

C

T

Y

M

G

V

A

T

T

I

Q

E

G

G

P

P

R

R

L
x
F

E

S

T

S

R

R

A

A

E

E

I

S

A

F

R

M

M

F

K

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

V

V

L

L

A

A

R

K

E

E

L

A

A

G

L

I

E

C

Y

Y

A

A

C

S

L

I

A

A

L

M

V

A

A

T

N
x
D

F

Y

A
x
D

A

C

G

W

C

K

G

E

D

H

Q

E

A

E

E

A

I

V

S

S

I
x
V

E

D

E

R

I
x
V

F
x
L

A

K

H

T

L

L

A

K

A

E

A

N

T

A

A

N

E

K

V

A

P

K

R

S

I

L

L

L

active site: T10 (≠ S17), P33 (≠ A40), H57 (= H64), I59 (≠ L66), M60 (≠ P67), A86 (= A93), M188 (= M192), T189 (= T193), D212 (≠ N216), D214 (≠ A218), V225 (≠ I229)
binding (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-{[(4-chlorophenyl)sulfanyl]methyl}pyrrolidin-3-ol: T10 (≠ S17), H57 (= H64), A86 (= A93), C87 (≠ V94), G88 (= G95), F169 (≠ L173), I186 (≠ V190), N187 (≠ G191), M188 (= M192), D212 (≠ N216), D214 (≠ A218), V228 (≠ I232), L229 (≠ F233)

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)
33% identity, 94% coverage: 9:247/253 of query aligns to 4:245/274 of 6dz0A

query
sites
6dz0A

L

V

D

K

L

I

A

G

V

I

I

I

G

G

G
|
G

S
x
T

G

G

L

L

Y

D

N

D

F

P

P

E

G

I

L

L

E

E

N

G

A

R

T

T

R

E

Q

K

A

Y

V

V

D

D

T

T

P

P

Y

F

G

G

P

K

A
x
P

S

S

G

D

D

A

V

L

V

I

L

L

G

G

D

K

F

I

A

K

R

N

K

V

R

D

V

C

A

V

F

L

L

L

A

A

R
|
R

H
|
H

G

G

E

R

S

Q

H
|
H

T

T

L
x
I

P
x
M

P

P

H

S

R

K

V

V

N

N

Y

Y

R

Q

A

A

N

N

L

I

W

W

A

A

L

L

H

K

S

E

L

E

G

G

A

C

R

T

R

H

V

V

V

I

G

V

V

T

N
x
T

A
|
A

V
x
C

G
|
G

G

S

I

L

R

R

G

E

D

E

M

I

G

Q

P

P

R

G

V

D

I

I

V

V

V

I

P

I

D

D

Q

Q

L

F

I

I

D

D

Y

R

T

T

H

T

G

M

R

R

I

P

T

Q

S

S

Y

F

C

Y

D

D

V

G

E

S

G

H

A

S

E

C

V

A

R

R

-

G

-

V

-

C

H

H

I

I

D

P

F

M

S

A

E

E

P

P

Y

F

T

C

E

P

A

K

L

T

R

R

R

E

Q

V

L

L

L

I

A

E

A

T

A

A

R

K

A

K

A

L

G

G

V

L

E

R

V

C

V

H

D

S

G

K

G

G

C

T

Y

M

G

V

A

T

T

I

Q

E

G

G

P

P

R

R

L
x
F

E

S

T

S

R

R

A

A

E

E

I

S

A

F

R

M

M

F

K

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

V

V

L

L

A

A

R

K

E

E

L

A

A

G

L

I

E

C

Y

Y

A

A

C

S

L

I

A

A

L

M

V

A

A
x
T

N
x
D

F

Y

A
x
D

A

C

G

W

C

K

G

E

D

H

Q

E

A

E

E

A

I

V

S

S

I
x
V

E

D

E

R

I
x
V

F

L

A

K

H

T

L

L

A

K

A

E

A

N

T

A

A

N

E

K

V

A

P

K

R

S

I

L

L

L

active site: T12 (≠ S17), P35 (≠ A40), H59 (= H64), I61 (≠ L66), M62 (≠ P67), A88 (= A93), M190 (= M192), T191 (= T193), D214 (≠ N216), D216 (≠ A218), V227 (≠ I229)
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 (≠ S17), H59 (= H64), A88 (= A93), C89 (≠ V94), G90 (= G95), F171 (≠ L173), I188 (≠ V190), N189 (≠ G191), M190 (= M192), T213 (≠ A215), D214 (≠ N216), D216 (≠ A218), V227 (≠ I229), V230 (≠ I232)
binding phosphate ion: G11 (= G16), T12 (≠ S17), R54 (= R59), H55 (= H60), T87 (≠ N92), T191 (= T193)

1k27A Crystal structure of 5'-deoxy-5'-methylthioadenosine phosphorylase in complex with a transition state analogue (see paper)
34% identity, 94% coverage: 9:247/253 of query aligns to 2:240/270 of 1k27A

query
sites
1k27A

L

V

D

K

L

I

A

G

V

I

I

I

G

G

G
|
G

S
x
T

G

G

L

L

Y

D

N

D

F

P

P

E

G

I

L

L

E

E

N

G

A

R

T

T

R

E

Q

K

A

Y

V

V

D

D

T

T

P

P

Y

F

G

G

P

K

A
x
P

S

S

G

D

D

A

V

L

V

I

L

L

G

G

D

K

F

I

A

K

R

N

K

V

R

D

V

C

A

V

F

L

L

L

A

A

R
|
R

H
|
H

G

G

E

R

S

Q

H
|
H

T

T

L
x
I

P
x
M

P

P

H

S

R

K

V

V

N

N

Y

Y

R

Q

A

A

N

N

L

I

W

W

A

A

L

L

H

K

S

E

L

E

G

G

A

C

R

T

R

H

V

V

V

I

G

V

V

T

N
x
T

A
|
A

V
x
C

G
|
G

G

S

I

L

R

R

G

E

D

E

M

I

G

Q

P

P

R

G

V

D

I

I

V

V

V

I

P

I

D

D

Q

Q

L

F

I

I

D

D

Y

R

T

T

H

T

G

M

R

R

I

P

T

Q

S

S

Y

F

C

Y

D

D

V

G

E

S

G

H

A

S

E

C

V

A

R

R

-

G

-

V

-

C

H

H

I

I

D

P

F

M

S

A

E

E

P

P

Y

F

T

C

E

P

A

K

L

T

R

R

R

E

Q

V

L

L

L

I

A

E

A

T

A

A

R

K

A

K

A

L

G

G

V

L

E

R

V

C

V

H

D

S

G

K

G

G

C

T

Y

M

G

V

A

T

T

I

Q

E

G

G

P

P

R

R

L
x
F

E

S

T

S

R

R

A

A

E

E

I

S

A

F

R

M

M

F

K

R

R

T

D

W

G

G

C

A

D

D

L

V

V

I

G
x
N

M
|
M

T
|
T

G

T

M

V

P

P

E

E

A

V

V

V

L

L

A

A

R

K

E

E

L

A

A

G

L

I

E

C

Y

Y

A

A

C

S

L

I

A

A

L

M

V

A

A

T

N
x
D

F

Y

A

-

G
x
D

C

C

G

W

D

E

Q

E

A

A

E

-

I

V

S

S

I
x
V

E

D

E

R

I
x
V

F

L

A

K

H

T

L

L

A

K

A

E

A

N

T

A

A

N

E

K

V

A

P

K

R

S

I

L

L

L

active site: T10 (≠ S17), P33 (≠ A40), H57 (= H64), I59 (≠ L66), M60 (≠ P67), A86 (= A93), M188 (= M192), T189 (= T193), D212 (≠ N216), D214 (≠ G220), V222 (≠ I229)
binding (3s,4r)-2-(4-amino-5h-pyrrolo[3,2-d]pyrimidin-7-yl)-5-[(methylsulfanyl)methyl]pyrrolidine-3,4-diol: A86 (= A93), C87 (≠ V94), G88 (= G95), F169 (≠ L173), N187 (≠ G191), M188 (= M192), D212 (≠ N216), V225 (≠ I232)
binding phosphate ion: G9 (= G16), T10 (≠ S17), R52 (= R59), H53 (= H60), T85 (≠ N92), A86 (= A93), T189 (= T193)

1sd2A Structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase complexed with 5'-methylthiotubercidin (see paper)
35% identity, 90% coverage: 9:236/253 of query aligns to 2:221/262 of 1sd2A

query
sites
1sd2A

L

V

D

K

L

I

A

G

V

I

I

I

G

G

S
x
T

G

G

L

L

Y

D

N

D

F

P

P

E

G

I

L

L

E

E

N

G

A

R

T

T

R

E

Q

K

A

Y

V

V

D

D

T

T

P

P

Y

F

G

G

P

K

A
x
P

S

S

G

D

D

A

V

L

V

I

L

L

G

G

D

K

F

I

A

K

R

N

K

V

R

D

V

C

A

V

F

L

L

L

A

A

R

R

H

H

G

G

E

R

S

Q

H
|
H

T

T

L
x
I

P
x
M

P

P

H

S

R

K

V

V

N

N

Y

Y

R

Q

A

A

N

N

L

I

W

W

A

A

L

L

H

K

S

E

L

E

G

G

A

C

R

T

R

H

V

V

V

I

G

V

V

T

N

T

A
|
A

V
x
C

G
|
G

G

S

I

L

R

R

G

E

D

E

M

I

G

Q

P

P

R

G

V

D

I

I

V

V

V

I

P

I

D

D

Q

Q

L

F

I

I

D

D

Y

R

T

T

H

T

G

M

R

R

I

P

T

Q

S

S

Y

F

C

Y

D

D

V

-

E

-

G

-

A

G

E

G

V

V

R

C

H

H

I

I

D

P

F

M

S

A

E

E

P

P

Y

F

T

C

E

P

A

K

L

T

R

R

R

E

Q

V

L

L

L

I

A

E

A

T

A

A

R

K

A

K

A

L

G

G

V

L

E

R

V

C

V

H

D

S

G

K

G

G

C

T

Y

M

G

V

A

T

T

I

Q

E

G

G

P

P

R

R

L
x
F

E

S

T

S

R

R

A

A

E

E

I

S

A

F

R

M

M

F

K

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

V

V

L

L

A

A

R

K

E

E

L

A

A

G

L

I

E

C

Y

Y

A

A

C

S

L

I

A

A

L

M

V

A

A

T

N
x
D

F

Y

A

-

G

-

C

-

G

-

D
|
D

Q

C

A

W

E

A

I

V

S

S

I
x
V

E

D

E

R

I
x
V

F

L

A

K

H

T

L

L

active site: T10 (≠ S17), P33 (≠ A40), H57 (= H64), I59 (≠ L66), M60 (≠ P67), A86 (= A93), M182 (= M192), T183 (= T193), D206 (≠ N216), D208 (= D223), V214 (≠ I229)
binding 2-(4-amino-pyrrolo[2,3-d]pyrimidin-7-yl)-5-methylsulfanylmethyl-tetrahydro-furan-3,4-diol: C87 (≠ V94), G88 (= G95), F163 (≠ L173), I180 (≠ V190), N181 (≠ G191), M182 (= M192), D206 (≠ N216), V217 (≠ I232)

1sd1A Structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase complexed with formycin a (see paper)
35% identity, 90% coverage: 9:236/253 of query aligns to 2:227/268 of 1sd1A

query
sites
1sd1A

L

V

D

K

L

I

A

G

V

I

I

I

G

G

S
x
T

G

G

L

L

Y

D

N

D

F

P

P

E

G

I

L

L

E

E

N

G

A

R

T

T

R

E

Q

K

A

Y

V

V

D

D

T

T

P

P

Y

F

G

G

P

K

A
x
P

S

S

G

D

D

A

V

L

V

I

L

L

G

G

D

K

F

I

A

K

R

N

K

V

R

D

V

C

A

V

F

L

L

L

A

A

R

R

H

H

G

G

E

R

S

Q

H
|
H

T

T

L
x
I

P
x
M

P

P

H

S

R

K

V

V

N

N

Y

Y

R

Q

A

A

N

N

L

I

W

W

A

A

L

L

H

K

S

E

L

E

G

G

A

C

R

T

R

H

V

V

V

I

G

V

V

T

N

T

A
|
A

V
x
C

G
|
G

G

S

I

L

R

R

G

E

D

E

M

I

G

Q

P

P

R

G

V

D

I

I

V

V

V

I

P

I

D

D

Q

Q

L

F

I

I

D

D

Y

R

T

T

H

T

G

M

R

R

I

P

T

Q

S

S

Y

F

C

Y

D

D

V

G

E

S

G

H

A

S

E

C

V

A

R

R

-

G

-

V

-

C

H

H

I

I

D

P

F

M

S

A

E

E

P

P

Y

F

T

C

E

P

A

K

L

T

R

R

R

E

Q

V

L

L

L

I

A

E

A

T

A

A

R

K

A

K

A

L

G

G

V

L

E

R

V

C

V

H

D

S

G

K

G

G

C

T

Y

M

G

V

A

T

T

I

Q

E

G

G

P

P

R

R

L
x
F

E

S

T

S

R

R

A

A

E

E

I

S

A

F

R

M

M

F

K

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

V

V

L

L

A

A

R

K

E

E

L

A

A

G

L

I

E

C

Y

Y

A

A

C

S

L

I

A

A

L

M

V

A

A

T

N
x
D

F

Y

A

-

G

-

C

-

G

-

D
|
D

Q

C

A

W

E

A

I

V

S

S

I
x
V

E

D

E

R

I

V

F

L

A

K

H

T

L

L

active site: T10 (≠ S17), P33 (≠ A40), H57 (= H64), I59 (≠ L66), M60 (≠ P67), A86 (= A93), M188 (= M192), T189 (= T193), D212 (≠ N216), D214 (= D223), V220 (≠ I229)
binding (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol: A86 (= A93), C87 (≠ V94), G88 (= G95), F169 (≠ L173), I186 (≠ V190), N187 (≠ G191), M188 (= M192), D212 (≠ N216), D214 (= D223)

1cg6A Structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase complexed with 5'-deoxy-5'-methylthioadenosine and sulfate at 1.7 a resolution (see paper)
35% identity, 90% coverage: 9:236/253 of query aligns to 2:227/268 of 1cg6A

query
sites
1cg6A

L

V

D

K

L

I

A

G

V

I

I

I

G

G

G
|
G

S
x
T

G

G

L

L

Y

D

N

D

F

P

P

E

G

I

L

L

E

E

N

G

A

R

T

T

R

E

Q

K

A

Y

V

V

D

D

T

T

P

P

Y

F

G

G

P

K

A
x
P

S

S

G

D

D

A

V

L

V

I

L

L

G

G

D

K

F

I

A

K

R

N

K

V

R

D

V

C

A

V

F

L

L

L

A

A

R
|
R

H
|
H

G

G

E

R

S

Q

H
|
H

T

T

L
x
I

P
x
M

P

P

H

S

R

K

V

V

N

N

Y

Y

R

Q

A

A

N

N

L

I

W

W

A

A

L

L

H

K

S

E

L

E

G

G

A

C

R

T

R

H

V

V

V

I

G

V

V

T

N
x
T

A
|
A

V
x
C

G
|
G

G

S

I

L

R

R

G

E

D

E

M

I

G

Q

P

P

R

G

V

D

I

I

V

V

V

I

P

I

D

D

Q

Q

L

F

I

I

D

D

Y

R

T

T

H

T

G

M

R

R

I

P

T

Q

S

S

Y

F

C

Y

D

D

V

G

E

S

G

H

A

S

E

C

V

A

R

R

-

G

-

V

-

C

H

H

I

I

D

P

F

M

S

A

E

E

P

P

Y

F

T

C

E

P

A

K

L

T

R

R

R

E

Q

V

L

L

L

I

A

E

A

T

A

A

R

K

A

K

A

L

G

G

V

L

E

R

V

C

V

H

D

S

G

K

G

G

C

T

Y

M

G

V

A

T

T

I

Q

E

G

G

P

P

R

R

L
x
F

E

S

T

S

R

R

A

A

E

E

I

S

A

F

R

M

M

F

K

R

R

T

D

W

G

G

C

A

D

D

L

V

V

I

G
x
N

M
|
M

T
|
T

G

T

M

V

P

P

E

E

A

V

V

V

L

L

A

A

R

K

E

E

L

A

A

G

L

I

E

C

Y

Y

A

A

C

S

L

I

A

A

L

M

V

A

A

T

N
x
D

F

Y

A

-

G

-

C

-

G

-

D
|
D

Q

C

A

W

E

A

I

V

S

S

I
x
V

E

D

E

R

I
x
V

F

L

A

K

H

T

L

L

active site: T10 (≠ S17), P33 (≠ A40), H57 (= H64), I59 (≠ L66), M60 (≠ P67), A86 (= A93), M188 (= M192), T189 (= T193), D212 (≠ N216), D214 (= D223), V220 (≠ I229)
binding 5'-deoxy-5'-methylthioadenosine: A86 (= A93), C87 (≠ V94), G88 (= G95), F169 (≠ L173), N187 (≠ G191), M188 (= M192), D212 (≠ N216), V223 (≠ I232)
binding sulfate ion: G9 (= G16), T10 (≠ S17), R52 (= R59), H53 (= H60), T85 (≠ N92), T189 (= T193)

Query Sequence

>WP_015447991.1 NCBI__GCF_000230695.2:WP_015447991.1
MPHPDQAPLDLAVIGGSGLYNFPGLENATRQAVDTPYGPASGDVVLGDFARKRVAFLARH
GESHTLPPHRVNYRANLWALHSLGARRVVGVNAVGGIRGDMGPRVIVVPDQLIDYTHGRI
TSYCDVEGAEVRHIDFSEPYTEALRRQLLAAARAAGVEVVDGGCYGATQGPRLETRAEIA
RMKRDGCDLVGMTGMPEAVLARELALEYACLALVANFAAGCGDQAEISIEEIFAHLAAAT
AEVPRILAALPGN

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