SIMILAR PATTERNS OF AMINO ACIDS FOR 3U40_B_ADNB251

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1jdz 5'-METHYLTHIOADENOSI
NE PHOSPHORYLASE

(Sulfolobus
solfataricus) 		PF01048
(PNP_UDP_1) 		5 ARG A  86
VAL A 179
GLU A 180
MET A 181
GLU A 182
 SO4  A 250 ( 3.1A)
FMB  A 270 (-4.6A)
FMB  A 270 (-4.6A)
FMB  A 270 (-3.8A)
FMB  A 270 (-2.8A)
 0.57A 3u40B-1jdzA:
32.9
3u40C-1jdzA:
21.6		 3u40B-1jdzA:
34.57
3u40C-1jdzA:
34.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1odi PURINE NUCLEOSIDE
PHOSPHORYLASE

(Thermus
thermophilus) 		PF01048
(PNP_UDP_1) 		5 MET A  65
ARG A  87
GLU A 179
MET A 180
GLU A 181
 ADN  A1237 (-4.1A)
SO4  A1236 ( 2.8A)
ADN  A1237 (-4.9A)
ADN  A1237 (-3.7A)
ADN  A1237 (-3.0A)
 0.47A 3u40B-1odiA:
33.5
3u40C-1odiA:
33.8		 3u40B-1odiA:
36.14
3u40C-1odiA:
36.14
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1pk9 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		7 MET A  64
ARG A  87
SER A  90
VAL A 178
GLU A 179
MET A 180
GLU A 181
 2FA  A 306 (-3.6A)
PO4  A 309 ( 2.8A)
PO4  A 309 ( 2.7A)
2FA  A 306 (-4.8A)
2FA  A 306 (-4.7A)
2FA  A 306 (-3.8A)
2FA  A 306 (-2.9A)
 0.48A 3u40B-1pk9A:
35.7
3u40C-1pk9A:
35.6		 3u40B-1pk9A:
48.35
3u40C-1pk9A:
48.35
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1z34 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Trichomonas
vaginalis) 		PF01048
(PNP_UDP_1) 		6 MET A  64
ARG A  87
VAL A 178
GLU A 179
MET A 180
GLU A 181
 2FD  A 300 (-3.8A)
2FD  A 300 ( 4.5A)
2FD  A 300 (-4.7A)
None
2FD  A 300 (-3.7A)
2FD  A 300 (-2.8A)
 0.56A 3u40B-1z34A:
21.8
3u40C-1z34A:
36.3		 3u40B-1z34A:
45.61
3u40C-1z34A:
45.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1zos 5'-METHYLTHIOADENOSI
NE /
S-ADENOSYLHOMOCYSTEI
NE NUCLEOSIDASE

(Streptococcus
pneumoniae) 		PF01048
(PNP_UDP_1) 		5 SER A  76
VAL A 171
GLU A 172
MET A 173
GLU A 174
 MTM  A 301 (-3.1A)
None
None
MTM  A 301 (-3.5A)
MTM  A 301 (-2.6A)
 0.74A 3u40B-1zosA:
22.4
3u40C-1zosA:
22.3		 3u40B-1zosA:
27.41
3u40C-1zosA:
27.41
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bsx PURINE NUCLEOSIDE
PHOSPHORYLASE

(Plasmodium
falciparum) 		PF01048
(PNP_UDP_1) 		6 ARG A  88
SER A  91
VAL A 181
GLU A 182
MET A 183
GLU A 184
 NOS  A1248 ( 4.5A)
NOS  A1248 (-2.9A)
NOS  A1248 ( 4.4A)
None
NOS  A1248 (-3.4A)
NOS  A1248 (-3.1A)
 0.67A 3u40B-2bsxA:
31.1
3u40C-2bsxA:
31.9		 3u40B-2bsxA:
28.29
3u40C-2bsxA:
28.29
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bje NUCLEOSIDE
PHOSPHORYLASE,
PUTATIVE

(Trypanosoma
brucei) 		PF01048
(PNP_UDP_1) 		5 MET A  87
ARG A 137
GLU A 284
MET A 285
GLU A 286
 R1P  A 401 ( 3.9A)
R1P  A 401 (-3.0A)
R1P  A 401 ( 4.6A)
R1P  A 401 ( 3.9A)
R1P  A 401 (-2.6A)
 0.46A 3u40B-3bjeA:
28.5
3u40C-3bjeA:
15.2		 3u40B-3bjeA:
23.61
3u40C-3bjeA:
23.61
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bl6 5'-METHYLTHIOADENOSI
NE
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Staphylococcus
aureus) 		PF01048
(PNP_UDP_1) 		5 SER A  75
VAL A 170
GLU A 171
MET A 172
GLU A 173
 FMC  A 229 (-3.0A)
FMC  A 229 ( 4.7A)
FMC  A 229 (-4.7A)
FMC  A 229 (-3.5A)
FMC  A 229 (-2.5A)
 0.49A 3u40B-3bl6A:
24.6
3u40C-3bl6A:
14.4		 3u40B-3bl6A:
27.95
3u40C-3bl6A:
27.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3dp9 MTA/SAH NUCLEOSIDASE

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		5 SER A  76
VAL A 172
GLU A 173
MET A 174
GLU A 175
 BIG  A 301 (-3.3A)
BIG  A 301 (-4.9A)
None
BIG  A 301 (-3.6A)
BIG  A 301 (-2.8A)
 0.58A 3u40B-3dp9A:
24.1
3u40C-3dp9A:
24.1		 3u40B-3dp9A:
25.98
3u40C-3dp9A:
25.98
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3eei 5-METHYLTHIOADENOSIN
E
NUCLEOSIDASE/S-ADENO
SYLHOMOCYSTEINE
NUCLEOSIDASE

(Neisseria
meningitidis) 		PF01048
(PNP_UDP_1) 		5 SER A  79
VAL A 175
GLU A 176
MET A 177
GLU A 178
 MTM  A 234 (-3.1A)
MTM  A 234 ( 4.9A)
MTM  A 234 (-4.6A)
MTM  A 234 (-3.8A)
MTM  A 234 (-2.6A)
 0.57A 3u40B-3eeiA:
23.9
3u40C-3eeiA:
24.0		 3u40B-3eeiA:
26.25
3u40C-3eeiA:
26.25
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3emv URIDINE
PHOSPHORYLASE,
PUTATIVE

(Plasmodium
vivax) 		PF01048
(PNP_UDP_1) 		6 ARG A  89
SER A  92
VAL A 182
GLU A 183
MET A 184
GLU A 185
 SO4  A 254 (-3.2A)
SO4  A 254 (-3.2A)
None
None
None
None
 0.49A 3u40B-3emvA:
31.5
3u40C-3emvA:
31.5		 3u40B-3emvA:
30.97
3u40C-3emvA:
30.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3euf URIDINE
PHOSPHORYLASE 1

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		5 MET A 110
ARG A 138
GLU A 248
MET A 249
GLU A 250
 BAU  A 400 (-3.5A)
PO4  A 401 (-3.0A)
None
BAU  A 400 (-3.8A)
PO4  A 401 ( 4.2A)
 0.41A 3u40B-3eufA:
23.9
3u40C-3eufA:
23.5		 3u40B-3eufA:
27.00
3u40C-3eufA:
27.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3kvy URIDINE
PHOSPHORYLASE

(Bos taurus) 		PF01048
(PNP_UDP_1) 		5 MET A 109
ARG A 137
GLU A 247
MET A 248
GLU A 249
 R2B  A 313 (-3.9A)
SO4  A 311 ( 3.0A)
R2B  A 313 ( 4.4A)
URA  A 312 ( 3.7A)
R2B  A 313 (-2.6A)
 0.44A 3u40B-3kvyA:
24.4
3u40C-3kvyA:
24.0		 3u40B-3kvyA:
27.36
3u40C-3kvyA:
27.36
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3o4v MTA/SAH NUCLEOSIDASE

(Escherichia
coli) 		PF01048
(PNP_UDP_1) 		5 SER A  76
VAL A 171
GLU A 172
MET A 173
GLU A 174
 4CT  A 233 (-3.2A)
4CT  A 233 ( 4.9A)
None
4CT  A 233 (-3.6A)
4CT  A 233 (-3.0A)
 0.44A 3u40B-3o4vA:
23.9
3u40C-3o4vA:
23.9		 3u40B-3o4vA:
26.46
3u40C-3o4vA:
26.46
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3of3 PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE 1

(Vibrio cholerae) 		PF01048
(PNP_UDP_1) 		7 MET A  78
ARG A 101
SER A 104
VAL A 192
GLU A 193
MET A 194
GLU A 195
 DIH  A 500 (-3.6A)
PO4  A 501 (-2.8A)
PO4  A 501 ( 2.7A)
DIH  A 500 (-4.8A)
None
DIH  A 500 (-3.8A)
DIH  A 500 (-2.9A)
 0.50A 3u40B-3of3A:
35.7
3u40C-3of3A:
17.7		 3u40B-3of3A:
46.12
3u40C-3of3A:
46.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3p0f URIDINE
PHOSPHORYLASE 2

(Homo sapiens) 		PF01048
(PNP_UDP_1) 		5 MET A 116
ARG A 144
GLU A 254
MET A 255
GLU A 256
 BAU  A 400 (-3.4A)
None
None
BAU  A 400 (-3.9A)
None
 0.39A 3u40B-3p0fA:
23.9
3u40C-3p0fA:
23.4		 3u40B-3p0fA:
24.00
3u40C-3p0fA:
24.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3tl6 PURINE NUCLEOSIDE
PHOSPHORYLASE

(Entamoeba
histolytica) 		PF01048
(PNP_UDP_1) 		8 MET A  69
ARG A  92
SER A  95
VAL A 182
GLU A 183
MET A 184
GLU A 185
CYH A 210
 None
SO4  A 239 (-3.2A)
SO4  A 239 (-3.4A)
None
None
None
SO4  A 239 ( 4.4A)
None
 0.24A 3u40B-3tl6A:
42.0
3u40C-3tl6A:
41.7		 3u40B-3tl6A:
100.00
3u40C-3tl6A:
100.00
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3uav PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus cereus) 		PF01048
(PNP_UDP_1) 		6 MET A  64
ARG A  87
VAL A 178
GLU A 179
MET A 180
GLU A 181
 None
SO4  A 236 (-2.7A)
None
None
None
SO4  A 236 ( 4.4A)
 0.47A 3u40B-3uavA:
17.9
3u40C-3uavA:
18.6		 3u40B-3uavA:
45.27
3u40C-3uavA:
45.27
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4dao PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Bacillus
subtilis) 		PF01048
(PNP_UDP_1) 		7 MET A  64
ARG A  87
SER A  90
VAL A 177
GLU A 178
MET A 179
GLU A 180
 None
None
ADE  A 301 (-3.4A)
ADE  A 301 (-4.4A)
None
ADE  A 301 ( 4.3A)
None
 0.35A 3u40B-4daoA:
35.9
3u40C-4daoA:
35.2		 3u40B-4daoA:
43.31
3u40C-4daoA:
43.31
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4ldn PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		7 MET A  65
ARG A  88
SER A  91
VAL A 179
GLU A 180
MET A 181
GLU A 182
 None
PO4  A 301 (-2.9A)
PO4  A 301 (-3.0A)
None
None
None
PO4  A 301 ( 4.7A)
 0.59A 3u40B-4ldnA:
36.4
3u40C-4ldnA:
35.7		 3u40B-4ldnA:
40.56
3u40C-4ldnA:
40.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4lkr PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Shewanella
oneidensis) 		PF01048
(PNP_UDP_1) 		6 MET A  64
ARG A  87
SER A  90
MET A 180
GLU A 181
CYH A 206
 None
 0.53A 3u40B-4lkrA:
35.5
3u40C-4lkrA:
35.2		 3u40B-4lkrA:
42.57
3u40C-4lkrA:
42.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m3n PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Meiothermus
ruber) 		PF01048
(PNP_UDP_1) 		5 MET A  64
VAL A 178
GLU A 179
MET A 180
GLU A 181
 None
 0.36A 3u40B-4m3nA:
20.0
3u40C-4m3nA:
36.4		 3u40B-4m3nA:
47.15
3u40C-4m3nA:
47.15
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4m7w PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Leptotrichia
buccalis) 		PF01048
(PNP_UDP_1) 		6 MET A  65
ARG A  88
VAL A 179
GLU A 180
MET A 181
GLU A 182
 None
PO4  A 400 (-3.0A)
None
None
None
PO4  A 400 ( 4.4A)
 0.41A 3u40B-4m7wA:
36.8
3u40C-4m7wA:
37.0		 3u40B-4m7wA:
46.80
3u40C-4m7wA:
46.80
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4qez 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Bacillus
anthracis) 		no annotation 5 SER B  76
VAL B 172
GLU B 173
MET B 174
GLU B 175
 TRS  B 302 (-2.8A)
None
TRS  B 302 ( 4.8A)
TRS  B 302 (-4.2A)
TRS  B 302 (-2.7A)
 0.68A 3u40B-4qezB:
22.8
3u40C-4qezB:
22.7		 3u40B-4qezB:
26.07
3u40C-4qezB:
26.07
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4tym PURINE NUCLEOSIDE
PHOSPHORYLASE
DEOD-TYPE

(Streptococcus
agalactiae) 		PF01048
(PNP_UDP_1) 		5 MET A  86
ARG A 109
GLU A 201
MET A 202
GLU A 203
 None
SO4  A 301 (-2.8A)
None
None
SO4  A 301 ( 4.4A)
 0.51A 3u40B-4tymA:
36.3
3u40C-4tymA:
22.7		 3u40B-4tymA:
41.63
3u40C-4tymA:
41.63
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5dk6 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Colwellia
psychrerythraea) 		PF01048
(PNP_UDP_1) 		5 SER A  76
VAL A 177
GLU A 178
MET A 179
GLU A 180
 ADE  A 302 ( 3.7A)
ADE  A 302 (-4.6A)
None
ADE  A 302 (-4.1A)
None
 0.53A 3u40B-5dk6A:
22.9
3u40C-5dk6A:
23.1		 3u40B-5dk6A:
28.42
3u40C-5dk6A:
28.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ue1 5'-METHYLTHIOADENOSI
NE/S-ADENOSYLHOMOCYS
TEINE NUCLEOSIDASE

(Aliivibrio
fischeri) 		PF01048
(PNP_UDP_1) 		5 SER A  76
VAL A 172
GLU A 173
MET A 174
GLU A 175
 TRS  A 302 (-2.8A)
None
TRS  A 302 ( 4.6A)
TRS  A 302 (-3.9A)
TRS  A 302 (-2.7A)
 0.66A 3u40B-5ue1A:
24.0
3u40C-5ue1A:
24.2		 3u40B-5ue1A:
25.38
3u40C-5ue1A:
25.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6c9d SERINE/THREONINE-PRO
TEIN KINASE
MARK1,SERINE/THREONI
NE-PROTEIN KINASE
MARK1

(Homo sapiens) 		no annotation 5 ARG A 774
VAL A 144
GLU A 143
GLU A 186
HIS A 180
 None
 1.47A 3u40B-6c9dA:
undetectable
3u40C-6c9dA:
undetectable		 3u40B-6c9dA:
15.19
3u40C-6c9dA:
15.19
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6g7x -

(-) 		no annotation 5 MET A  64
ARG A  87
GLU A 179
MET A 180
GLU A 181
 None
PO4  A 304 ( 4.4A)
None
IMD  A 302 (-4.6A)
PO4  A 304 ( 4.7A)
 0.33A 3u40B-6g7xA:
36.7
3u40C-6g7xA:
22.2		 3u40B-6g7xA:
undetectable
3u40C-6g7xA:
undetectable