SIMILAR PATTERNS OF AMINO ACIDS FOR 4EBK_A_TOYA301_1

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
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.
1s1d APYRASE

(Homo sapiens) 		PF06079
(Apyrase) 		5 GLU A 243
GLU A 295
GLU A 326
ASP A 112
GLU A 239
 None
None
GP2  A4001 ( 2.4A)
GP2  A4001 (-4.2A)
None
 1.40A 4ebkA-1s1dA:
0.0
4ebkB-1s1dA:
0.0		 4ebkA-1s1dA:
23.16
4ebkB-1s1dA:
23.16
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.
2a62 CADHERIN-8

(Mus musculus) 		PF00028
(Cadherin) 		5 GLU A  67
GLU A  12
ASP A  64
GLU A  11
ASP A 134
 None
CA  A 325 (-3.3A)
CA  A 325 (-3.0A)
CA  A 325 ( 2.5A)
CA  A 324 ( 3.1A)
 1.46A 4ebkA-2a62A:
0.0
4ebkB-2a62A:
0.0		 4ebkA-2a62A:
21.99
4ebkB-2a62A:
21.99
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.
2bqx INORGANIC
PYROPHOSPHATASE

(Helicobacter
pylori) 		PF00719
(Pyrophosphatase) 		5 GLU A 144
ASP A  41
GLU A  30
ASP A  66
GLU A  97
 None
 1.50A 4ebkA-2bqxA:
0.3
4ebkB-2bqxA:
0.3		 4ebkA-2bqxA:
19.06
4ebkB-2bqxA:
19.06
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.
3myo TAGATOSE
1,6-DIPHOSPHATE
ALDOLASE 1

(Streptococcus
pyogenes) 		PF01791
(DeoC) 		5 GLU A 292
GLU A  49
ASP A  69
GLU A  57
ALA A  76
 None
 1.50A 4ebkA-3myoA:
0.0
4ebkB-3myoA:
0.0		 4ebkA-3myoA:
24.64
4ebkB-3myoA:
24.64
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.
5it5 ATP BINDING
MOTIF-CONTAINING
PROTEIN PILF

(Thermus
thermophilus) 		no annotation 5 GLU F 890
GLU F 833
ASP F 747
GLU F 856
ALA F 858
 None
 1.35A 4ebkA-5it5F:
0.8
4ebkB-5it5F:
0.0		 4ebkA-5it5F:
20.67
4ebkB-5it5F:
20.67