SIMILAR PATTERN OF AMINO ACIDS MAPPED TO 'XA2'


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
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.
1V8B_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 4q3r ARGINASE
(Schistosoma
mansoni) 		5 / 12 HIS A 156
ASP A 264
THR A 274
GLY A 172
HIS A 171
 MN  A 402 ( 3.3A)
MN  A 402 ( 2.1A)
None
XA2  A 407 ( 3.8A)
XA2  A 407 (-3.2A)
 1.37A 1v8bA-4q3rA:
2.5		 1v8bA-4q3rA:
22.20
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.
1V8B_B_ADNB1502_1
(ADENOSYLHOMOCYSTEINA
SE)		 4q3r ARGINASE
(Schistosoma
mansoni) 		5 / 12 HIS A 156
ASP A 264
THR A 274
GLY A 172
HIS A 171
 MN  A 402 ( 3.3A)
MN  A 402 ( 2.1A)
None
XA2  A 407 ( 3.8A)
XA2  A 407 (-3.2A)
 1.37A 1v8bB-4q3rA:
2.3		 1v8bB-4q3rA:
22.20
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.
1V8B_D_ADND3502_1
(ADENOSYLHOMOCYSTEINA
SE)		 4q3r ARGINASE
(Schistosoma
mansoni) 		5 / 12 HIS A 156
ASP A 264
THR A 274
GLY A 172
HIS A 171
 MN  A 402 ( 3.3A)
MN  A 402 ( 2.1A)
None
XA2  A 407 ( 3.8A)
XA2  A 407 (-3.2A)
 1.36A 1v8bD-4q3rA:
undetectable		 1v8bD-4q3rA:
22.20
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.
2CML_D_ZMRD4478_1
(NEURAMINIDASE)		 4q3r ARGINASE
(Schistosoma
mansoni) 		4 / 8 SER A 167
SER A 165
ASN A 160
LYS A  86
 XA2  A 407 (-2.7A)
XA2  A 407 ( 4.4A)
XA2  A 407 (-4.2A)
None
 1.10A 2cmlD-4q3rA:
undetectable		 2cmlD-4q3rA:
20.69
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.
2DU8_B_BEZB1352_0
(D-AMINO-ACID OXIDASE)		 4q3r ARGINASE
(Schistosoma
mansoni) 		4 / 6 LEU A 209
TYR A 206
ILE A 220
GLY A 172
 None
None
None
XA2  A 407 ( 3.8A)
 0.89A 2du8B-4q3rA:
2.4		 2du8B-4q3rA:
22.57
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.
3C0Z_A_SHHA301_1
(HISTONE DEACETYLASE
7A)		 4q3r ARGINASE
(Schistosoma
mansoni) 		4 / 5 HIS A 171
ASP A 158
HIS A 156
ASP A 154
 XA2  A 407 (-3.2A)
MN  A 401 ( 2.5A)
MN  A 402 ( 3.3A)
MN  A 401 (-2.6A)
 1.22A 3c0zA-4q3rA:
13.5		 3c0zA-4q3rA:
23.23
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.
3CE6_D_ADND500_1
(ADENOSYLHOMOCYSTEINA
SE)		 4q3r ARGINASE
(Schistosoma
mansoni) 		5 / 12 HIS A 156
ASP A 264
THR A 274
GLY A 172
HIS A 171
 MN  A 402 ( 3.3A)
MN  A 402 ( 2.1A)
None
XA2  A 407 ( 3.8A)
XA2  A 407 (-3.2A)
 1.36A 3ce6D-4q3rA:
2.7		 3ce6D-4q3rA:
22.62
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GN0_A_DMOA551_1
(ARGINASE-1)		 4q3r ARGINASE
(Schistosoma
mansoni) 		9 / 9 HIS A 156
ASP A 158
ASN A 160
SER A 167
HIS A 171
GLY A 172
ASP A 213
GLU A 216
THR A 276
 MN  A 402 ( 3.3A)
MN  A 401 ( 2.5A)
XA2  A 407 (-4.2A)
XA2  A 407 (-2.7A)
XA2  A 407 (-3.2A)
XA2  A 407 ( 3.8A)
XA2  A 407 (-3.1A)
XA2  A 407 ( 4.3A)
XA2  A 407 (-3.6A)
 0.32A 3gn0A-4q3rA:
49.5		 3gn0A-4q3rA:
39.74
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
3GN0_B_DMOB552_1
(ARGINASE-1)		 4q3r ARGINASE
(Schistosoma
mansoni) 		9 / 9 HIS A 156
ASP A 158
ASN A 160
SER A 167
HIS A 171
GLY A 172
ASP A 213
GLU A 216
THR A 276
 MN  A 402 ( 3.3A)
MN  A 401 ( 2.5A)
XA2  A 407 (-4.2A)
XA2  A 407 (-2.7A)
XA2  A 407 (-3.2A)
XA2  A 407 ( 3.8A)
XA2  A 407 (-3.1A)
XA2  A 407 ( 4.3A)
XA2  A 407 (-3.6A)
 0.35A 3gn0B-4q3rA:
49.4		 3gn0B-4q3rA:
39.74
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.
3IV6_D_SAMD301_0
(PUTATIVE
ZN-DEPENDENT ALCOHOL
DEHYDROGENASE)		 4q3r ARGINASE
(Schistosoma
mansoni) 		5 / 12 GLY A 157
SER A 176
ILE A 220
ASP A 211
LEU A 212
 None
None
None
XA2  A 407 (-3.8A)
None
 1.07A 3iv6D-4q3rA:
3.8		 3iv6D-4q3rA:
22.86
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.
3N58_C_ADNC500_1
(ADENOSYLHOMOCYSTEINA
SE)		 4q3r ARGINASE
(Schistosoma
mansoni) 		5 / 12 HIS A 156
ASP A 264
THR A 274
GLY A 172
HIS A 171
 MN  A 402 ( 3.3A)
MN  A 402 ( 2.1A)
None
XA2  A 407 ( 3.8A)
XA2  A 407 (-3.2A)
 1.36A 3n58C-4q3rA:
2.2		 3n58C-4q3rA:
24.36
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.
3OND_A_ADNA506_1
(ADENOSYLHOMOCYSTEINA
SE)		 4q3r ARGINASE
(Schistosoma
mansoni) 		5 / 12 HIS A 156
ASP A 264
THR A 274
GLY A 172
HIS A 171
 MN  A 402 ( 3.3A)
MN  A 402 ( 2.1A)
None
XA2  A 407 ( 3.8A)
XA2  A 407 (-3.2A)
 1.38A 3ondA-4q3rA:
undetectable		 3ondA-4q3rA:
23.77
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.
3OND_B_ADNB507_1
(ADENOSYLHOMOCYSTEINA
SE)		 4q3r ARGINASE
(Schistosoma
mansoni) 		5 / 12 HIS A 156
ASP A 264
THR A 274
GLY A 172
HIS A 171
 MN  A 402 ( 3.3A)
MN  A 402 ( 2.1A)
None
XA2  A 407 ( 3.8A)
XA2  A 407 (-3.2A)
 1.38A 3ondB-4q3rA:
undetectable		 3ondB-4q3rA:
23.77
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.
4TVT_A_ASCA301_0
(THAUMATIN-1)		 4q3r ARGINASE
(Schistosoma
mansoni) 		3 / 3 THR A 161
ASN A 164
SER A 165
 None
None
XA2  A 407 ( 4.4A)
 0.70A 4tvtA-4q3rA:
undetectable		 4tvtA-4q3rA:
18.02
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.
5AXD_A_RBVA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 4q3r ARGINASE
(Schistosoma
mansoni) 		5 / 12 HIS A 156
ASP A 264
THR A 274
GLY A 172
HIS A 171
 MN  A 402 ( 3.3A)
MN  A 402 ( 2.1A)
None
XA2  A 407 ( 3.8A)
XA2  A 407 (-3.2A)
 1.38A 5axdA-4q3rA:
2.2		 5axdA-4q3rA:
22.03
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.
5AXD_C_RBVC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 4q3r ARGINASE
(Schistosoma
mansoni) 		5 / 12 HIS A 156
ASP A 264
THR A 274
GLY A 172
HIS A 171
 MN  A 402 ( 3.3A)
MN  A 402 ( 2.1A)
None
XA2  A 407 ( 3.8A)
XA2  A 407 (-3.2A)
 1.38A 5axdC-4q3rA:
2.3		 5axdC-4q3rA:
22.03
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.
5IGI_A_ZITA402_1
(MACROLIDE
2'-PHOSPHOTRANSFERAS
E)		 4q3r ARGINASE
(Schistosoma
mansoni) 		5 / 12 ILE A 290
ASP A 158
ALA A 306
GLY A 275
THR A 276
 None
MN  A 401 ( 2.5A)
None
None
XA2  A 407 (-3.6A)
 1.10A 5igiA-4q3rA:
undetectable		 5igiA-4q3rA:
22.39
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.
5M5K_B_ADNB502_1
(ADENOSYLHOMOCYSTEINA
SE)		 4q3r ARGINASE
(Schistosoma
mansoni) 		5 / 12 HIS A 156
ASP A 264
THR A 274
GLY A 172
HIS A 171
 MN  A 402 ( 3.3A)
MN  A 402 ( 2.1A)
None
XA2  A 407 ( 3.8A)
XA2  A 407 (-3.2A)
 1.33A 5m5kB-4q3rA:
undetectable		 5m5kB-4q3rA:
21.15
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.
5M66_A_ADNA502_1
(ADENOSYLHOMOCYSTEINA
SE)		 4q3r ARGINASE
(Schistosoma
mansoni) 		5 / 12 HIS A 156
ASP A 264
THR A 274
GLY A 172
HIS A 171
 MN  A 402 ( 3.3A)
MN  A 402 ( 2.1A)
None
XA2  A 407 ( 3.8A)
XA2  A 407 (-3.2A)
 1.38A 5m66A-4q3rA:
undetectable		 5m66A-4q3rA:
21.15
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.
5M66_C_ADNC502_1
(ADENOSYLHOMOCYSTEINA
SE)		 4q3r ARGINASE
(Schistosoma
mansoni) 		5 / 12 HIS A 156
ASP A 264
THR A 274
GLY A 172
HIS A 171
 MN  A 402 ( 3.3A)
MN  A 402 ( 2.1A)
None
XA2  A 407 ( 3.8A)
XA2  A 407 (-3.2A)
 1.36A 5m66C-4q3rA:
2.7		 5m66C-4q3rA:
21.15
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.
5UTU_F_ADNF503_1
(ADENOSYLHOMOCYSTEINA
SE)		 4q3r ARGINASE
(Schistosoma
mansoni) 		5 / 12 HIS A 156
ASP A 264
THR A 274
GLY A 172
HIS A 171
 MN  A 402 ( 3.3A)
MN  A 402 ( 2.1A)
None
XA2  A 407 ( 3.8A)
XA2  A 407 (-3.2A)
 1.37A 5utuF-4q3rA:
undetectable		 5utuF-4q3rA:
23.47
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.
6F3N_B_ADNB505_1
(-)		 4q3r ARGINASE
(Schistosoma
mansoni) 		5 / 12 HIS A 156
ASP A 264
THR A 274
GLY A 172
HIS A 171
 MN  A 402 ( 3.3A)
MN  A 402 ( 2.1A)
None
XA2  A 407 ( 3.8A)
XA2  A 407 (-3.2A)
 1.34A 6f3nB-4q3rA:
2.1		 6f3nB-4q3rA:
20.78