SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'XAN'


List of Similar Pattern of Amino Acids

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 on the DrReposER ID to view details on interfaces and similar patterns of amino acids)
(Click on the view link on the last column to view superposed patterns of amino acids)
Filter list by:
DrReposER ID / Desc. Hit
PDBID		 Hit
Macromolecule		 Res.
Matches		 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.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 3odg XANTHOSINE
PHOSPHORYLASE
(Yersinia
pseudotuberculos
is) 		8 / 10 GLY A 127
PHE A 204
GLU A 205
VAL A 221
GLY A 222
MET A 223
THR A 246
ASN A 247
 XAN  A 288 (-3.5A)
None
XAN  A 288 (-2.8A)
XAN  A 288 (-4.5A)
XAN  A 288 (-3.4A)
XAN  A 288 (-4.3A)
XAN  A 288 (-3.8A)
XAN  A 288 (-3.0A)
 0.63A 1pwyE-3odgA:
36.4		 1pwyE-3odgA:
40.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1PWY_E_AC2E290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 3odg XANTHOSINE
PHOSPHORYLASE
(Yersinia
pseudotuberculos
is) 		7 / 10 PHE A 204
GLU A 205
VAL A 221
GLY A 222
MET A 223
THR A 246
HIS A 259
 None
XAN  A 288 (-2.8A)
XAN  A 288 (-4.5A)
XAN  A 288 (-3.4A)
XAN  A 288 (-4.3A)
XAN  A 288 (-3.8A)
None
 0.86A 1pwyE-3odgA:
36.4		 1pwyE-3odgA:
40.59
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
1V3Q_E_2DIE290_1
(PURINE NUCLEOSIDE
PHOSPHORYLASE)		 3odg XANTHOSINE
PHOSPHORYLASE
(Yersinia
pseudotuberculos
is) 		9 / 10 GLY A 127
PHE A 204
GLU A 205
VAL A 221
GLY A 222
MET A 223
THR A 246
ASN A 247
HIS A 259
 XAN  A 288 (-3.5A)
None
XAN  A 288 (-2.8A)
XAN  A 288 (-4.5A)
XAN  A 288 (-3.4A)
XAN  A 288 (-4.3A)
XAN  A 288 (-3.8A)
XAN  A 288 (-3.0A)
None
 0.68A 1v3qE-3odgA:
36.8		 1v3qE-3odgA:
40.59
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.
2A58_A_RBFA300_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 3odg XANTHOSINE
PHOSPHORYLASE
(Yersinia
pseudotuberculos
is) 		5 / 11 GLY A 222
SER A 198
GLU A 205
ILE A 210
ALA A 249
 XAN  A 288 (-3.4A)
None
XAN  A 288 (-2.8A)
None
XAN  A 288 ( 4.8A)
 1.47A 2a58A-3odgA:
3.6
2a58E-3odgA:
3.7		 2a58A-3odgA:
21.92
2a58E-3odgA:
21.92
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.
2A58_D_RBFD303_1
(6,7-DIMETHYL-8-RIBIT
YLLUMAZINE SYNTHASE)		 3odg XANTHOSINE
PHOSPHORYLASE
(Yersinia
pseudotuberculos
is) 		5 / 11 ILE A 210
ALA A 249
GLY A 222
SER A 198
GLU A 205
 None
XAN  A 288 ( 4.8A)
XAN  A 288 (-3.4A)
None
XAN  A 288 (-2.8A)
 1.46A 2a58C-3odgA:
3.9
2a58D-3odgA:
3.8		 2a58C-3odgA:
21.92
2a58D-3odgA:
21.92
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.
3A27_A_SAMA250_1
(UNCHARACTERIZED
PROTEIN MJ1557)		 3odg XANTHOSINE
PHOSPHORYLASE
(Yersinia
pseudotuberculos
is) 		3 / 3 MET A 148
GLU A 205
ASN A 247
 None
XAN  A 288 (-2.8A)
XAN  A 288 (-3.0A)
 1.06A 3a27A-3odgA:
undetectable		 3a27A-3odgA:
21.50
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3E9R_A_ACTA700_0
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3odg XANTHOSINE
PHOSPHORYLASE
(Yersinia
pseudotuberculos
is) 		5 / 6 GLY A 127
GLU A 205
GLY A 222
MET A 223
ASN A 247
 XAN  A 288 (-3.5A)
XAN  A 288 (-2.8A)
XAN  A 288 (-3.4A)
XAN  A 288 (-4.3A)
XAN  A 288 (-3.0A)
 0.59A 3e9rA-3odgA:
37.1		 3e9rA-3odgA:
41.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3E9R_C_ACTC700_0
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3odg XANTHOSINE
PHOSPHORYLASE
(Yersinia
pseudotuberculos
is) 		5 / 6 GLY A 127
GLU A 205
GLY A 222
MET A 223
ASN A 247
 XAN  A 288 (-3.5A)
XAN  A 288 (-2.8A)
XAN  A 288 (-3.4A)
XAN  A 288 (-4.3A)
XAN  A 288 (-3.0A)
 0.59A 3e9rC-3odgA:
37.2		 3e9rC-3odgA:
41.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F8W_A_ADNA300_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3odg XANTHOSINE
PHOSPHORYLASE
(Yersinia
pseudotuberculos
is) 		9 / 12 SER A  42
ALA A 125
GLY A 127
GLU A 205
VAL A 221
GLY A 222
MET A 223
ASN A 247
HIS A 259
 CL  A 289 (-3.9A)
CL  A 289 ( 3.9A)
XAN  A 288 (-3.5A)
XAN  A 288 (-2.8A)
XAN  A 288 (-4.5A)
XAN  A 288 (-3.4A)
XAN  A 288 (-4.3A)
XAN  A 288 (-3.0A)
None
 0.65A 3f8wA-3odgA:
37.3		 3f8wA-3odgA:
41.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F8W_A_ADNA300_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3odg XANTHOSINE
PHOSPHORYLASE
(Yersinia
pseudotuberculos
is) 		9 / 12 TYR A  97
ALA A 125
GLY A 127
GLU A 205
VAL A 221
GLY A 222
MET A 223
ASN A 247
HIS A 259
 None
CL  A 289 ( 3.9A)
XAN  A 288 (-3.5A)
XAN  A 288 (-2.8A)
XAN  A 288 (-4.5A)
XAN  A 288 (-3.4A)
XAN  A 288 (-4.3A)
XAN  A 288 (-3.0A)
None
 0.48A 3f8wA-3odgA:
37.3		 3f8wA-3odgA:
41.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F8W_B_ADNB301_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3odg XANTHOSINE
PHOSPHORYLASE
(Yersinia
pseudotuberculos
is) 		9 / 12 HIS A  95
TYR A  97
GLY A 127
GLU A 205
VAL A 221
GLY A 222
MET A 223
ASN A 247
HIS A 259
 None
None
XAN  A 288 (-3.5A)
XAN  A 288 (-2.8A)
XAN  A 288 (-4.5A)
XAN  A 288 (-3.4A)
XAN  A 288 (-4.3A)
XAN  A 288 (-3.0A)
None
 0.51A 3f8wB-3odgA:
37.0		 3f8wB-3odgA:
41.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F8W_B_ADNB301_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3odg XANTHOSINE
PHOSPHORYLASE
(Yersinia
pseudotuberculos
is) 		8 / 12 SER A  42
GLY A 127
GLU A 205
VAL A 221
GLY A 222
MET A 223
ASN A 247
HIS A 259
 CL  A 289 (-3.9A)
XAN  A 288 (-3.5A)
XAN  A 288 (-2.8A)
XAN  A 288 (-4.5A)
XAN  A 288 (-3.4A)
XAN  A 288 (-4.3A)
XAN  A 288 (-3.0A)
None
 0.62A 3f8wB-3odgA:
37.0		 3f8wB-3odgA:
41.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F8W_C_ADNC302_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3odg XANTHOSINE
PHOSPHORYLASE
(Yersinia
pseudotuberculos
is) 		9 / 12 HIS A  95
TYR A  97
ALA A 125
GLY A 127
GLU A 205
VAL A 221
GLY A 222
MET A 223
ASN A 247
 None
None
CL  A 289 ( 3.9A)
XAN  A 288 (-3.5A)
XAN  A 288 (-2.8A)
XAN  A 288 (-4.5A)
XAN  A 288 (-3.4A)
XAN  A 288 (-4.3A)
XAN  A 288 (-3.0A)
 0.44A 3f8wC-3odgA:
37.3		 3f8wC-3odgA:
41.67
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3F8W_C_ADNC302_1
(PURINE-NUCLEOSIDE
PHOSPHORYLASE)		 3odg XANTHOSINE
PHOSPHORYLASE
(Yersinia
pseudotuberculos
is) 		8 / 12 SER A  42
ALA A 125
GLY A 127
GLU A 205
VAL A 221
GLY A 222
MET A 223
ASN A 247
 CL  A 289 (-3.9A)
CL  A 289 ( 3.9A)
XAN  A 288 (-3.5A)
XAN  A 288 (-2.8A)
XAN  A 288 (-4.5A)
XAN  A 288 (-3.4A)
XAN  A 288 (-4.3A)
XAN  A 288 (-3.0A)
 0.60A 3f8wC-3odgA:
37.3		 3f8wC-3odgA:
41.67
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.
3GN8_A_DEXA247_2
(GLUCOCORTICOID
RECEPTOR 2)		 3odg XANTHOSINE
PHOSPHORYLASE
(Yersinia
pseudotuberculos
is) 		3 / 3 MET A 223
MET A 212
PHE A 204
 XAN  A 288 (-4.3A)
None
None
 1.22A 3gn8A-3odgA:
undetectable		 3gn8A-3odgA:
21.50
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.
4C49_C_HCYC1384_1
(CORTICOSTEROID-BINDI
NG GLOBULIN)		 5i6c URIC ACID-XANTHINE
PERMEASE
(Aspergillus
nidulans) 		5 / 12 SER A 154
VAL A 153
GLN A 112
ILE A 101
SER A 103
 XAN  A1001 (-3.5A)
None
None
None
None
 1.38A 4c49C-5i6cA:
undetectable		 4c49C-5i6cA:
20.31
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.
5GWY_E_010E6_0
(N-[(5-METHYLISOXAZOL
-3-YL)CARBONYL]ALANY
L-L-VALYL-N~1~-((1R,
2Z)-4-(BENZYLOXY)-4-
OXO-1-{[(3R)-2-OXOPY
RROLIDIN-3-YL]METHYL
}BUT-2-ENYL)-L-LEUCI
NAMIDE
MAIN PROTEASE)		 3odg XANTHOSINE
PHOSPHORYLASE
(Yersinia
pseudotuberculos
is) 		4 / 4 THR A 246
LEU A 263
HIS A 259
GLY A  43
 XAN  A 288 (-3.8A)
None
None
None
 1.39A 5gwyA-3odgA:
undetectable		 5gwyA-3odgA:
24.71
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.
5HGC_A_HCYA501_1
(SERPIN)		 5i6c URIC ACID-XANTHINE
PERMEASE
(Aspergillus
nidulans) 		5 / 12 ALA A  89
THR A 404
SER A 127
PHE A 406
ASN A 409
 None
XAN  A1001 (-4.7A)
None
XAN  A1001 (-3.5A)
None
 1.44A 5hgcA-5i6cA:
undetectable		 5hgcA-5i6cA:
20.07
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.
6EFN_A_SAMA501_0
(SPORULATION KILLING
FACTOR MATURATION
PROTEIN SKFB)		 3odg XANTHOSINE
PHOSPHORYLASE
(Yersinia
pseudotuberculos
is) 		5 / 11 PHE A 196
SER A 224
ARG A  93
THR A 262
ALA A 266
 None
CL  A 289 ( 4.8A)
CL  A 289 ( 4.8A)
XAN  A 288 (-3.5A)
None
 1.44A 6efnA-3odgA:
undetectable		 6efnA-3odgA:
21.55