Potential binding sites containing nine 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.
3NMU_F_SAMF228_0 1nt2 FIBRILLARIN-LIKE
PRE-RRNA
PROCESSING PROTEIN

Archaeoglobus
fulgidus 		LYS A 42
GLY A 65
ALA A 67
GLU A 88
SER A 90
ASP A 113
ALA A 114
ASP A 133
GLN A 136		 SAM A 301 (-3.0A)
SAM A 301 ( 3.8A)
SAM A 301 (-3.1A)
SAM A 301 (-2.4A)
SAM A 301 ( 4.9A)
SAM A 301 (-3.6A)
SAM A 301 (-3.4A)
SAM A 301 (-3.7A)
SAM A 301 (-3.4A)
 0.67A 3nmuA-1nt2A:
0.2
3nmuF-1nt2A:
21.3		 3nmuA-1nt2A:
21.39
3nmuF-1nt2A:
42.80
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.
3NMU_F_SAMF228_0 4by9 FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFE
RASE

Pyrococcus
furiosus 		LYS E 57
GLY E 81
GLU E 105
PHE E 106
SER E 107
ASP E 130
ALA E 131
ASP E 150
GLN E 153		 C X 5 ( 2.7A)
None
None
None
G A 22 ( 2.7A)
None
None
C X 5 ( 3.2A)
G A 24 ( 3.0A)
 1.03A 3nmuA-4by9E:
undetectable
3nmuF-4by9E:
34.7		 3nmuA-4by9E:
22.51
3nmuF-4by9E:
97.01
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.
3NMU_F_SAMF228_0 5gin FIBRILLARIN-LIKE
RRNA/TRNA
2'-O-METHYLTRANSFE
RASE

Sulfolobus
solfataricus 		LYS E 60
GLY E 84
ALA E 86
GLU E 108
SER E 110
ASP E 133
ALA E 134
ASP E 153
GLN E 156		 U I 4 ( 3.9A)
SAH E 301 (-3.8A)
SAH E 301 ( 3.7A)
SAH E 301 (-3.0A)
A G 24 ( 2.5A)
SAH E 301 (-3.5A)
SAH E 301 (-3.6A)
SAH E 301 (-3.7A)
SAH E 301 (-3.8A)
 0.69A 3nmuA-5ginE:
undetectable
3nmuF-5ginE:
36.5		 3nmuA-5ginE:
22.51
3nmuF-5ginE:
50.00
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.
3NVK_J_SAMJ228_0 2ipx RRNA
2'-O-METHYLTRANSFE
RASE FIBRILLARIN

Homo sapiens 		LYS A 144
GLY A 168
ALA A 170
GLU A 192
ASP A 217
ALA A 218
ASP A 237
VAL A 238
GLN A 240		 None
MTA A4001 (-3.3A)
MTA A4001 (-3.6A)
MTA A4001 (-2.7A)
MTA A4001 (-3.4A)
MTA A4001 (-3.4A)
MTA A4001 (-4.3A)
MTA A4001 (-4.1A)
MTA A4001 (-4.0A)
 0.98A 3nvkF-2ipxA:
undetectable
3nvkJ-2ipxA:
31.0		 3nvkF-2ipxA:
23.24
3nvkJ-2ipxA:
49.17
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.
6HQB_A_PQNA2001_0 4rku PHOTOSYSTEM I P700
CHLOROPHYLL A
APOPROTEIN A1

Pisum sativum 		TRP A 55
MET A 691
SER A 695
GLY A 696
ARG A 697
TRP A 700
ALA A 724
LEU A 725
GLY A 730		 CLA A1139 (-4.1A)
CLA A9013 ( 3.6A)
PQN A5001 (-3.5A)
PQN A5001 ( 4.1A)
None
PQN A5001 ( 3.4A)
PQN A5001 (-3.4A)
PQN A5001 ( 3.7A)
PQN A5001 ( 4.0A)
 0.30A 6hqbA-4rkuA:
50.2
6hqbJ-4rkuA:
undetectable		 6hqbA-4rkuA:
23.53
6hqbJ-4rkuA:
6.88