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

DrReposER ID Hit Organism /
Macromolecule		 Interface HETATM RMSD Dali Z-score Seq. Identity (%)
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M83_A_ERYA1400_0 2iyf OLEANDOMYCIN
GLYCOSYLTRANSFERAS
E

Streptomyces
antibioticus 		HIS A 19
TRP A 73
ASN A 80
VAL A 81
PHE A 84
ILE A 111
TYR A 114
ASN A 133
LEU A 134
ALA A 182
SER A 183		 ERY A1400 (-3.9A)
ERY A1400 (-3.8A)
ERY A1400 (-3.7A)
ERY A1400 (-4.6A)
ERY A1400 ( 3.8A)
ERY A1400 ( 3.8A)
None
ERY A1400 (-3.6A)
ERY A1400 ( 4.8A)
ERY A1400 (-3.6A)
ERY A1400 (-2.8A)
 0.05A 4m83A-2iyfA:
undetectable		 4m83A-2iyfA:
99.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
4M83_B_ERYB501_0 2iyf OLEANDOMYCIN
GLYCOSYLTRANSFERAS
E

Streptomyces
antibioticus 		HIS A 19
TRP A 73
ASN A 80
VAL A 81
PHE A 84
ILE A 111
TYR A 114
ASN A 133
TYR A 140
ALA A 182
SER A 183		 ERY A1400 (-3.9A)
ERY A1400 (-3.8A)
ERY A1400 (-3.7A)
ERY A1400 (-4.6A)
ERY A1400 ( 3.8A)
ERY A1400 ( 3.8A)
None
ERY A1400 (-3.6A)
ERY A1400 ( 4.5A)
ERY A1400 (-3.6A)
ERY A1400 (-2.8A)
 0.34A 4m83B-2iyfA:
undetectable		 4m83B-2iyfA:
99.76
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_G_FFOG403_0 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		PHE A 72
ILE A 100
TRP A 101
ASN A 104
LEU A 184
ASP A 219
LEU A 222
GLY A 223
PHE A 226
ASN A 227
MET A 315		 CB3 A2351 (-3.9A)
CB3 A2351 (-3.6A)
CB3 A2351 (-3.7A)
CB3 A2351 (-3.7A)
None
CB3 A2351 ( 3.6A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
CB3 A2351 (-3.8A)
UMP A 350 ( 3.2A)
CB3 A2351 (-3.4A)
 0.50A 6r2eG-2aazA:
undetectable		 6r2eG-2aazA:
56.34