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.
3S7F_A_SAMA1000_0 5kjm N-LYSINE
METHYLTRANSFERASE
SMYD2

Homo sapiens 		LYS A 17
ARG A 19
GLU A 135
HIS A 137
CYH A 181
ASN A 182
ASN A 206
HIS A 207
TYR A 240
TYR A 258
PHE A 260		 None
SAM A 501 (-3.7A)
SAM A 501 (-3.3A)
SAM A 501 (-3.9A)
SAM A 501 ( 3.4A)
SAM A 501 ( 3.8A)
SAM A 501 (-3.2A)
None
6TM A 502 ( 3.6A)
6TM A 502 ( 4.2A)
SAM A 501 (-3.6A)
 0.26A 3s7fA-5kjmA:
61.9
3s7fI-5kjmA:
undetectable		 3s7fA-5kjmA:
100.00
3s7fI-5kjmA:
5.31
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.
5FCT_B_C2FB402_0 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		LYS A 69
VAL A 71
PHE A 72
ILE A 100
TRP A 101
LEU A 184
CYH A 187
LEU A 222
TYR A 259
MET A 313
MET A 315		 CB3 A2351 ( 4.1A)
None
CB3 A2351 (-3.9A)
CB3 A2351 (-3.6A)
CB3 A2351 (-3.7A)
None
UMP A 350 (-1.8A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 4.3A)
None
CB3 A2351 (-3.4A)
 0.37A 5fctB-2aazA:
undetectable		 5fctB-2aazA:
59.57
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6H0G_E_Y70E502_0 5hxb EUKARYOTIC PEPTIDE
CHAIN RELEASE
FACTOR GTP-BINDING
SUBUNIT ERF3A
PROTEIN CEREBLON

Homo sapiens;
Homo sapiens 		ASN Z 351
PRO Z 352
HIS Z 353
GLU Z 377
HIS Z 378
SER Z 379
TRP Z 380
TRP Z 386
TRP Z 400
PHE Z 402
GLY X 575		 85C Z 502 (-3.6A)
85C Z 502 (-4.4A)
85C Z 502 (-3.9A)
85C Z 502 (-3.2A)
85C Z 502 (-3.8A)
85C Z 502 (-3.2A)
85C Z 502 (-3.2A)
85C Z 502 (-3.4A)
85C Z 502 (-3.7A)
None
85C Z 502 (-3.7A)
 0.55A 6h0gE-5hxbZ:
51.7
6h0gF-5hxbZ:
undetectable		 6h0gE-5hxbZ:
62.90
6h0gF-5hxbZ:
10.65
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_E_FFOE403_0 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		PHE A 72
ILE A 100
TRP A 101
ASN A 104
TYR A 127
LEU A 184
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
None
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
CB3 A2351 (-3.8A)
UMP A 350 ( 3.2A)
CB3 A2351 (-3.4A)
 0.47A 6r2eE-2aazA:
undetectable		 6r2eE-2aazA:
56.34
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
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
6R2E_H_FFOH403_0 2aaz THYMIDYLATE
SYNTHASE

Cryptococcus
neoformans 		PHE A 72
ILE A 100
TRP A 101
ASN A 104
TYR A 127
LEU A 184
ASP A 219
LEU A 222
GLY A 223
ASN A 227
MET A 315		 CB3 A2351 (-3.9A)
CB3 A2351 (-3.6A)
CB3 A2351 (-3.7A)
CB3 A2351 (-3.7A)
None
None
CB3 A2351 ( 3.6A)
CB3 A2351 (-4.1A)
CB3 A2351 ( 3.2A)
UMP A 350 ( 3.2A)
CB3 A2351 (-3.4A)
 0.64A 6r2eH-2aazA:
undetectable		 6r2eH-2aazA:
56.34