Potential binding sites containing six residues derived from binding site similarity searches

DrReposER ID Hit Organism /
Macromolecule		 Interface HETATM RMSD Dali Z-score Seq. Identity (%)
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.
1WRL_B_TFPB203_1 2ozk URIDYLATE-SPECIFIC
ENDORIBONUCLEASE

Severe acute
respiratory
syndrome-related
coronavirus 		PHE A 232
VAL A 236
LEU A 250
PHE A 221
MET A 209
SER A 207		 None
 1.35A 1wrlB-2ozkA:
undetectable		 1wrlB-2ozkA:
14.88
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.
1WRL_B_TFPB203_1 4s1t URIDYLATE-SPECIFIC
ENDORIBONUCLEASE

Human coronavirus
229E 		PHE A 233
VAL A 237
LEU A 251
PHE A 222
MET A 210
SER A 208		 None
 1.26A 1wrlB-4s1tA:
undetectable		 1wrlB-4s1tA:
14.45
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
5X5Q_E_D16E402_1 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		PHE A 72
ILE A 100
ASP A 219
LEU A 222
GLY A 223
TYR A 259		 CB3 A2351 (-3.9A)
CB3 A2351 (-3.6A)
CB3 A2351 ( 3.6A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
CB3 A2351 ( 4.3A)
 0.73A 5x5qE-2aazA:
undetectable		 5x5qE-2aazA:
61.84